| 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 | 46 | Very low | 54.1 | Low | 183 Ų | 183 | 135.7 Ų | 135.7 | 90% | 0.901 | 63% | 0.626 | S | S | * | * | 0 | -99.9 | 0 | -66.7 | -46.2 | -148.7 | 0 | 0 | 111.4 | L3 I4 N5 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.27Å; M1-I4 WeakPolarHBondContact O-CA 3.18Å; M1-I4 WeakPolarHBondContact O-CB 3.35Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-N 2.88Å; M1-N5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | L | 48.2 | Very low | 54.4 | Low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -56.8 | -42.6 | -174.1 | -75.2 | 163.1 | 0 | 0 | 0 | 113.8 | I4 N5 Y6 | L2-I4 PolarHBondContact O-N 3.38Å; L2-N5 PolarHBondContact O-N 3.25Å; L2-Y6 PolarHBondContact O-N 3.09Å |
| 3 | L | 44.6 | Very low | 54.7 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -25.8 | 172 | -90.7 | 158.8 | 0 | 0 | 0 | 114.5 | M1 Y7 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.27Å; L3-Y7 WeakPolarHBondContact O-CB 3.24Å; L3-Y7 PolarHBondContact O-N 2.88Å |
| 4 | I | 51.3 | Low | 54.9 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.4 | -43.4 | 176.7 | -59.1 | 175.2 | 0 | 0 | 0 | 109.6 | M1 L2 Y6 Y7 Q8 | M1-I4 WeakPolarHBondContact O-CA 3.18Å; M1-I4 WeakPolarHBondContact O-CB 3.35Å; M1-I4 PolarHBondContact O-N 3.27Å; L2-I4 PolarHBondContact O-N 3.38Å; I4-Y6 PolarHBondContact O-N 2.75Å; I4-Y7 PolarHBondContact O-N 3.28Å; I4-Q8 WeakPolarHBondContact O-CB 3.3Å; I4-Q8 PolarHBondContact O-N 2.82Å |
| 5 | N | 57.7 | Low | 54.9 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -36.6 | 170.5 | -78.6 | 11.2 | 0 | 0 | 0 | 111.3 | M1 L2 Q8 Y9 | M1-N5 PolarHBondContact O-N 2.88Å; M1-N5 VanDerWaalsContact O-N 3.09Å; L2-N5 PolarHBondContact O-N 3.25Å; N5-Q8 PolarHBondContact O-N 3.47Å; N5-Y9 WeakPolarHBondContact O-CB 3.46Å; N5-Y9 PolarHBondContact O-N 2.78Å |
| 6 | Y | 57.2 | Low | 55 | Low | 166 Ų | 166 | 125.1 Ų | 125.1 | 65% | 0.651 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.3 | -47 | 174.6 | -159.5 | -94.9 | 0 | 0 | 0 | 111.6 | L2 I4 Q8 Y9 Y10 | L2-Y6 PolarHBondContact O-N 3.09Å; I4-Y6 PolarHBondContact O-N 2.75Å; Y6-Q8 PolarHBondContact O-N 3.49Å; Y6-Y9 PolarHBondContact O-N 3.3Å; Y6-Y10 VanDerWaalsContact O-CB 3.28Å; Y6-Y10 WeakPolarHBondContact O-CB 3.39Å; Y6-Y10 PolarHBondContact O-N 3.33Å |
| 7 | Y | 57.4 | Low | 54.8 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 57% | 0.569 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.3 | -31.6 | 174.8 | -103 | -91.3 | 0 | 0 | 0 | 113.8 | L3 I4 Y10 I11 | L3-Y7 WeakPolarHBondContact O-CB 3.24Å; L3-Y7 PolarHBondContact O-N 2.88Å; I4-Y7 PolarHBondContact O-N 3.28Å; Y7-Y10 PolarHBondContact O-N 2.85Å; Y7-I11 HydrophobicContact CD1-CD1 4.35Å; Y7-I11 VanDerWaalsContact O-CB 3.3Å; Y7-I11 WeakPolarHBondContact O-CB 3.33Å; Y7-I11 VanDerWaalsContact O-CG1 3.24Å; Y7-I11 WeakPolarHBondContact O-CG1 3.28Å; Y7-I11 PolarHBondContact O-N 3.49Å |
| 8 | Q | 55.8 | Low | 54.6 | Low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.9 | -34.1 | 179 | -167.7 | 164.9 | -7.1 | 0 | 0 | 111.2 | I4 N5 Y6 Q12 | I4-Q8 WeakPolarHBondContact O-CB 3.3Å; I4-Q8 PolarHBondContact O-N 2.82Å; N5-Q8 PolarHBondContact O-N 3.47Å; Y6-Q8 PolarHBondContact O-N 3.49Å; Q8-Q12 WeakPolarHBondContact O-CB 3.37Å; Q8-Q12 PolarHBondContact O-N 2.77Å |
| 9 | Y | 56.9 | Low | 54.4 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -43.6 | 161.2 | -100.6 | -93.7 | 0 | 0 | 0 | 111.2 | N5 Y6 I11 Q12 F13 | N5-Y9 WeakPolarHBondContact O-CB 3.46Å; N5-Y9 PolarHBondContact O-N 2.78Å; Y6-Y9 PolarHBondContact O-N 3.3Å; Y9-I11 VanDerWaalsContact C-N 3.33Å; Y9-I11 PolarHBondContact O-N 2.94Å; Y9-Q12 PolarHBondContact O-N 2.65Å; Y9-F13 WeakPolarHBondContact O-CA 3.47Å; Y9-F13 WeakPolarHBondContact O-CB 3.43Å; Y9-F13 PolarHBondContact O-N 2.84Å |
| 10 | Y | 60.8 | Low | 54.3 | Low | 128 Ų | 128 | 115.7 Ų | 115.7 | 50% | 0.502 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -37.6 | -179.6 | -158.4 | -108.7 | 0 | 0 | 0 | 112.1 | Y6 Y7 H14 | Y6-Y10 VanDerWaalsContact O-CB 3.28Å; Y6-Y10 WeakPolarHBondContact O-CB 3.39Å; Y6-Y10 PolarHBondContact O-N 3.33Å; Y7-Y10 PolarHBondContact O-N 2.85Å; Y10-H14 AromaticContact CD1-CD2 3.76Å; Y10-H14 AromaticContact CE1-CD2 3.52Å; Y10-H14 AromaticContact CE1-NE2 3.68Å; Y10-H14 AromaticContact CZ-CD2 3.78Å; Y10-H14 AromaticContact CZ-NE2 3.53Å; Y10-H14 VanDerWaalsContact O-CB 3.29Å; Y10-H14 WeakPolarHBondContact O-CB 3.14Å; Y10-H14 PolarHBondContact O-CD2 2.77Å; Y10-H14 PolarHBondContact O-N 2.73Å |
| 11 | I | 59.5 | Low | 53.8 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 48% | 0.482 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.3 | -37.7 | 175.7 | -70.4 | 166.1 | 0 | 0 | 0 | 111.4 | Y7 Y9 L15 | Y7-I11 HydrophobicContact CD1-CD1 4.35Å; Y7-I11 VanDerWaalsContact O-CB 3.3Å; Y7-I11 WeakPolarHBondContact O-CB 3.33Å; Y7-I11 VanDerWaalsContact O-CG1 3.24Å; Y7-I11 WeakPolarHBondContact O-CG1 3.28Å; Y7-I11 PolarHBondContact O-N 3.49Å; Y9-I11 VanDerWaalsContact C-N 3.33Å; Y9-I11 PolarHBondContact O-N 2.94Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 WeakPolarHBondContact O-CB 3.5Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.09Å; I11-L15 PolarHBondContact O-N 2.81Å |
| 12 | Q | 57.8 | Low | 53.6 | Low | 112 Ų | 112 | 115.6 Ų | 115.6 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 170.4 | -80.9 | -164.4 | -43.3 | 0 | 0 | 112 | Q8 Y9 L15 I16 | Q8-Q12 WeakPolarHBondContact O-CB 3.37Å; Q8-Q12 PolarHBondContact O-N 2.77Å; Y9-Q12 PolarHBondContact O-N 2.65Å; Q12-L15 PolarHBondContact O-N 2.69Å; Q12-I16 WeakPolarHBondContact O-CA 3.3Å; Q12-I16 WeakPolarHBondContact O-CB 3.29Å; Q12-I16 WeakPolarHBondContact O-CD1 3.22Å; Q12-I16 WeakPolarHBondContact O-CG1 3.23Å; Q12-I16 PolarHBondContact O-N 2.92Å |
| 13 | F | 58.2 | Low | 53.5 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.4 | -36.4 | 177.5 | -153.5 | -103.5 | 0 | 0 | 0 | 110.5 | Y9 I17 | Y9-F13 WeakPolarHBondContact O-CA 3.47Å; Y9-F13 WeakPolarHBondContact O-CB 3.43Å; Y9-F13 PolarHBondContact O-N 2.84Å; F13-I17 HydrophobicContact CD1-CD1 3.58Å; F13-I17 HydrophobicContact CD1-CG1 4.44Å; F13-I17 HydrophobicContact CE1-CD1 3.73Å; F13-I17 VanDerWaalsContact O-CB 3.23Å; F13-I17 WeakPolarHBondContact O-CB 3.15Å; F13-I17 WeakPolarHBondContact O-CD1 3.23Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 2.74Å |
| 14 | H | 57.2 | Low | 53.2 | Low | 76 Ų | 76 | 110 Ų | 110 | 35% | 0.352 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.5 | -28.4 | 169.3 | -88.9 | -65.9 | 0 | 0 | 0 | 114.3 | Y10 I18 | Y10-H14 AromaticContact CD1-CD2 3.76Å; Y10-H14 AromaticContact CE1-CD2 3.52Å; Y10-H14 AromaticContact CE1-NE2 3.68Å; Y10-H14 AromaticContact CZ-CD2 3.78Å; Y10-H14 AromaticContact CZ-NE2 3.53Å; Y10-H14 VanDerWaalsContact O-CB 3.29Å; Y10-H14 WeakPolarHBondContact O-CB 3.14Å; Y10-H14 PolarHBondContact O-CD2 2.77Å; Y10-H14 PolarHBondContact O-N 2.73Å; H14-I18 WeakPolarHBondContact O-CB 3.25Å; H14-I18 WeakPolarHBondContact O-CD1 3.47Å; H14-I18 WeakPolarHBondContact O-CG1 3.1Å; H14-I18 PolarHBondContact O-N 3.38Å |
| 15 | L | 54.3 | Low | 52.4 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.5 | -29.6 | 170.9 | -77.9 | 168.8 | 0 | 0 | 0 | 112.1 | I11 Q12 S19 | I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 WeakPolarHBondContact O-CB 3.5Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.09Å; I11-L15 PolarHBondContact O-N 2.81Å; Q12-L15 PolarHBondContact O-N 2.69Å; L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.12Å; L15-S19 PolarHBondContact O-N 3.4Å; L15-S19 PolarHBondContact O-OG 3.44Å |
| 16 | I | 56.8 | Low | 51.3 | Low | 85 Ų | 85 | 111.9 Ų | 111.9 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 169.8 | -72 | 165.9 | 0 | 0 | 0 | 109.4 | Q12 S19 I20 | Q12-I16 WeakPolarHBondContact O-CA 3.3Å; Q12-I16 WeakPolarHBondContact O-CB 3.29Å; Q12-I16 WeakPolarHBondContact O-CD1 3.22Å; Q12-I16 WeakPolarHBondContact O-CG1 3.23Å; Q12-I16 PolarHBondContact O-N 2.92Å; I16-S19 WeakPolarHBondContact CA-OG 3.49Å; I16-S19 PolarHBondContact O-OG 3.36Å; I16-I20 HydrophobicContact CG2-CD1 3.57Å; I16-I20 HydrophobicContact CG2-CG1 4.22Å; I16-I20 WeakPolarHBondContact O-CA 3.42Å; I16-I20 WeakPolarHBondContact O-CB 3.15Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 2.69Å |
| 17 | I | 52.1 | Low | 50.1 | Low | 62 Ų | 62 | 110 Ų | 110 | 32% | 0.318 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 171.1 | -74.1 | 166.3 | 0 | 0 | 0 | 110.5 | F13 I20 Q21 | F13-I17 HydrophobicContact CD1-CD1 3.58Å; F13-I17 HydrophobicContact CD1-CG1 4.44Å; F13-I17 HydrophobicContact CE1-CD1 3.73Å; F13-I17 VanDerWaalsContact O-CB 3.23Å; F13-I17 WeakPolarHBondContact O-CB 3.15Å; F13-I17 WeakPolarHBondContact O-CD1 3.23Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 2.74Å; I17-I20 CarbonylContact O-C 3.58Å; I17-I20 PolarHBondContact O-N 2.75Å; I17-Q21 WeakPolarHBondContact O-CA 3.36Å; I17-Q21 WeakPolarHBondContact O-CB 3.5Å; I17-Q21 PolarHBondContact O-N 3.49Å |
| 18 | I | 51.1 | Low | 48.9 | Very low | 97 Ų | 97 | 107.4 Ų | 107.4 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 179.3 | -72 | 164.1 | 0 | 0 | 0 | 111.6 | H14 Q21 Y22 | H14-I18 WeakPolarHBondContact O-CB 3.25Å; H14-I18 WeakPolarHBondContact O-CD1 3.47Å; H14-I18 WeakPolarHBondContact O-CG1 3.1Å; H14-I18 PolarHBondContact O-N 3.38Å; I18-Q21 CarbonylContact O-C 3.42Å; I18-Q21 PolarHBondContact O-N 2.85Å; I18-Y22 WeakPolarHBondContact O-CB 3.17Å; I18-Y22 PolarHBondContact O-N 3.33Å |
| 19 | S | 51.7 | Low | 48 | Very low | 53 Ų | 53 | 109.7 Ų | 109.7 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.8 | -41.5 | 173.9 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | L15 I16 Q21 Y22 I23 | L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.12Å; L15-S19 PolarHBondContact O-N 3.4Å; L15-S19 PolarHBondContact O-OG 3.44Å; I16-S19 WeakPolarHBondContact CA-OG 3.49Å; I16-S19 PolarHBondContact O-OG 3.36Å; S19-Q21 PolarHBondContact O-N 3.49Å; S19-Y22 CarbonylContact O-C 3.56Å; S19-Y22 PolarHBondContact O-N 3.1Å; S19-Y22 VanDerWaalsContact O-N 3.1Å; S19-I23 VanDerWaalsContact O-CB 3.25Å; S19-I23 WeakPolarHBondContact O-CB 3.23Å; S19-I23 VanDerWaalsContact O-CG1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 2.98Å; S19-I23 PolarHBondContact O-N 2.76Å |
| 20 | I | 51.1 | Low | 47 | Very low | 101 Ų | 101 | 108.7 Ų | 108.7 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 169.6 | -68.8 | 175 | 0 | 0 | 0 | 110.3 | I16 I17 I23 S24 | I16-I20 HydrophobicContact CG2-CD1 3.57Å; I16-I20 HydrophobicContact CG2-CG1 4.22Å; I16-I20 WeakPolarHBondContact O-CA 3.42Å; I16-I20 WeakPolarHBondContact O-CB 3.15Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 2.69Å; I17-I20 CarbonylContact O-C 3.58Å; I17-I20 PolarHBondContact O-N 2.75Å; I20-I23 PolarHBondContact O-N 2.77Å; I20-S24 WeakPolarHBondContact O-CA 3.36Å; I20-S24 WeakPolarHBondContact O-CB 3.02Å; I20-S24 PolarHBondContact O-N 2.9Å; I20-S24 PolarHBondContact O-OG 3.41Å |
| 21 | Q | 44.4 | Very low | 45.9 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -91.2 | 5.2 | 177.3 | -158.2 | 162.8 | 10.1 | 0 | 0 | 113.1 | I17 I18 S19 N25 | I17-Q21 WeakPolarHBondContact O-CA 3.36Å; I17-Q21 WeakPolarHBondContact O-CB 3.5Å; I17-Q21 PolarHBondContact O-N 3.49Å; I18-Q21 CarbonylContact O-C 3.42Å; I18-Q21 PolarHBondContact O-N 2.85Å; S19-Q21 PolarHBondContact O-N 3.49Å; Q21-N25 PolarHBondContact O-ND2 2.85Å |
| 22 | Y | 42.1 | Very low | 44.9 | Very low | 184 Ų | 184 | 112.6 Ų | 112.6 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -106.7 | -16.6 | 160.6 | -120.9 | -104.4 | 0 | 0 | 0 | 112.2 | I18 S19 | I18-Y22 WeakPolarHBondContact O-CB 3.17Å; I18-Y22 PolarHBondContact O-N 3.33Å; S19-Y22 CarbonylContact O-C 3.56Å; S19-Y22 PolarHBondContact O-N 3.1Å; S19-Y22 VanDerWaalsContact O-N 3.1Å |
| 23 | I | 45.5 | Very low | 44.3 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 55% | 0.549 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -107.1 | -23.3 | -178.7 | -63.9 | 169.1 | 0 | 0 | 0 | 111.6 | S19 I20 H27 | S19-I23 VanDerWaalsContact O-CB 3.25Å; S19-I23 WeakPolarHBondContact O-CB 3.23Å; S19-I23 VanDerWaalsContact O-CG1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 2.98Å; S19-I23 PolarHBondContact O-N 2.76Å; I20-I23 PolarHBondContact O-N 2.77Å; I23-H27 PolarHBondContact O-ND1 2.67Å |
| 24 | S | 37.7 | Very low | 43.9 | Very low | 60 Ų | 60 | 109.7 Ų | 109.7 | 42% | 0.42 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -84.6 | -22.3 | 166.6 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | I20 I26 H27 | I20-S24 WeakPolarHBondContact O-CA 3.36Å; I20-S24 WeakPolarHBondContact O-CB 3.02Å; I20-S24 PolarHBondContact O-N 2.9Å; I20-S24 PolarHBondContact O-OG 3.41Å; S24-I26 PolarHBondContact O-N 3.19Å; S24-H27 WeakPolarHBondContact O-CB 3.49Å; S24-H27 PolarHBondContact O-N 2.97Å |
| 25 | N | 35.4 | Very low | 43.9 | Very low | 127 Ų | 127 | 114.5 Ų | 114.5 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 9.4 | 166.5 | -97.8 | -38.9 | 0 | 0 | 0 | 113.4 | Q21 | Q21-N25 PolarHBondContact O-ND2 2.85Š|
| 26 | I | 35.2 | Very low | 44.3 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -5.7 | 170 | -63.7 | 177 | 0 | 0 | 0 | 110.9 | S24 C28 | S24-I26 PolarHBondContact O-N 3.19Å; I26-C28 VanDerWaalsContact C-N 3.34Å; I26-C28 PolarHBondContact O-N 2.89Å |
| 27 | H | 31.3 | Very low | 45.3 | Very low | 126 Ų | 126 | 111.5 Ų | 111.5 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 32.8 | -172.1 | -91 | 77.9 | 0 | 0 | 0 | 115.8 | I23 S24 | I23-H27 PolarHBondContact O-ND1 2.67Å; S24-H27 WeakPolarHBondContact O-CB 3.49Å; S24-H27 PolarHBondContact O-N 2.97Å |
| 28 | C | 31.8 | Very low | 46.8 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 4.4 | 159 | -82.2 | 0 | 0 | 0 | 0 | 113.3 | I26 | I26-C28 VanDerWaalsContact C-N 3.34Å; I26-C28 PolarHBondContact O-N 2.89Å |
| 29 | H | 38.4 | Very low | 48.5 | Very low | 162 Ų | 162 | 108 Ų | 108 | 75% | 0.75 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -107.8 | -8 | -168.8 | -92.7 | -56.9 | 0 | 0 | 0 | 117.5 | ||
| 30 | L | 35.8 | Very low | 50.3 | Low | 151 Ų | 151 | 111.2 Ų | 111.2 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | trans | -144.7 | 96.9 | 173.9 | -76.5 | 100.1 | 0 | 0 | 0 | 112 | ||||
| 31 | L | 37.8 | Very low | 52.2 | Low | 163 Ų | 163 | 107.7 Ų | 107.7 | 85% | 0.853 | 55% | 0.549 | S | S | * | . | trans | -148.4 | 124.7 | 163.1 | -106.5 | 165.1 | 0 | 0 | 0 | 108.6 | ||||
| 32 | N | 37 | Very low | 54.3 | Low | 141 Ų | 141 | 105.1 Ų | 105.1 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | trans | -65.4 | 141 | 178.8 | -83.2 | -11.2 | 0 | 0 | 0 | 111.1 | S34 | N32-S34 PolarHBondContact O-N 3.45Š| ||
| 33 | S | 45.9 | Very low | 56.6 | Low | 97 Ų | 97 | 97 Ų | 97 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -64.1 | -9.4 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 115 | H35 L36 | S33-H35 PolarHBondContact O-N 3.01Å; S33-L36 PolarHBondContact O-N 2.68Å |
| 34 | S | 49.4 | Very low | 58.6 | Low | 85 Ų | 85 | 95.9 Ų | 95.9 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -68 | -0.6 | -173.8 | 64.6 | 0 | 0 | 0 | 0 | 116.2 | N32 | N32-S34 PolarHBondContact O-N 3.45Š|
| 35 | H | 56.6 | Low | 61 | Low | 178 Ų | 178 | 93 Ų | 93 | 82% | 0.824 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -135.4 | 24.5 | 178 | -71.2 | -45.2 | 0 | 0 | 0 | 113.7 | S33 | S33-H35 PolarHBondContact O-N 3.01Š|
| 36 | L | 63.7 | Low | 63.3 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 28% | 0.277 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.9 | 168.2 | -66.9 | -178 | 0 | 0 | 0 | 110.9 | S33 W177 N179 | S33-L36 PolarHBondContact O-N 2.68Å; L36-W177 HydrophobicContact CD2-CB 3.44Å; L36-W177 VanDerWaalsContact CD2-CB 3.44Å; L36-W177 HydrophobicContact CD2-CG 4.5Å; L36-N179 HydrophobicContact CB-CB 4.03Å; L36-N179 HydrophobicContact CD1-CB 4.28Å |
| 37 | K | 78.4 | Confident | 65.7 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 32% | 0.317 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 128.7 | 174.3 | -82.3 | 178 | 171 | -178 | 0 | 109.7 | F60 F64 I66 I178 N179 | K37-F60 HydrophobicContact CB-CE2 4.23Å; K37-F60 HydrophobicContact CD-CE2 3.69Å; K37-F60 HydrophobicContact CD-CZ 4.06Å; K37-F64 HydrophobicContact CB-CE1 4.05Å; K37-F64 HydrophobicContact CB-CE2 3.97Å; K37-F64 HydrophobicContact CB-CZ 3.65Å; K37-F64 HydrophobicContact CD-CB 4.44Å; K37-F64 HydrophobicContact CD-CD1 3.69Å; K37-F64 HydrophobicContact CD-CD2 4.09Å; K37-F64 HydrophobicContact CD-CE1 3.85Å; K37-F64 HydrophobicContact CD-CE2 4.24Å; K37-F64 HydrophobicContact CD-CG 3.81Å; K37-F64 HydrophobicContact CD-CZ 4.12Å; K37-F64 HydrophobicContact CG-CD1 4.17Å; K37-F64 HydrophobicContact CG-CE1 3.81Å; K37-F64 HydrophobicContact CG-CE2 4.45Å; K37-F64 HydrophobicContact CG-CZ 3.96Å; K37-I66 VanDerWaalsContact NZ-CD1 3.28Å; K37-I178 WeakPolarHBondContact O-CA 3.37Å; K37-I178 WeakPolarHBondContact O-CG2 2.72Å; K37-N179 PolarHBondContact O-N 2.71Å |
| 38 | E | 83.8 | Confident | 68.3 | Low | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.2 | -176.1 | -67.5 | 175.9 | 149.7 | 0 | 0 | 112.9 | Y40 K63 N179 I181 | E38-Y40 HydrophobicContact CB-CD2 4.44Å; E38-Y40 HydrophobicContact CB-CE2 3.91Å; E38-Y40 PolarHBondContact OE2-OH 3.5Å; E38-K63 PolarHBondContact O-NZ 3.32Å; E38-N179 CarbonylContact C-O 3.54Å; E38-N179 VanDerWaalsContact CA-O 3.28Å; E38-N179 WeakPolarHBondContact CA-O 3.47Å; E38-N179 HydrophobicContact CG-CB 4.12Å; E38-N179 PolarHBondContact OE1-ND2 3.08Å; E38-I181 HydrophobicContact CG-CD1 4.36Å |
| 39 | L | 86.6 | Confident | 70.9 | Confident | 6 Ų | 6 | 89 Ų | 89 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.3 | 158.4 | -70 | 176.4 | 0 | 0 | 0 | 108.8 | Y41 I56 D59 F60 K63 F64 I178 N179 V180 I181 | L39-Y41 HydrophobicContact CB-CE2 4.47Å; L39-I56 HydrophobicContact CD1-CB 4.26Å; L39-I56 HydrophobicContact CD1-CG1 4.25Å; L39-I56 HydrophobicContact CD1-CG2 3.92Å; L39-D59 HydrophobicContact CD1-CB 4.34Å; L39-D59 HydrophobicContact CD2-CB 4.04Å; L39-F60 HydrophobicContact CD1-CB 4.42Å; L39-K63 HydrophobicContact CD2-CB 4.43Å; L39-K63 HydrophobicContact CD2-CD 3.84Å; L39-F64 HydrophobicContact CD2-CE2 4.19Å; L39-I178 HydrophobicContact CB-CG2 4.45Å; L39-I178 HydrophobicContact CD1-CG2 4.1Å; L39-I178 HydrophobicContact CG-CG2 4.11Å; L39-N179 PolarHBondContact N-O 2.85Å; L39-V180 HydrophobicContact CB-CG2 4.41Å; L39-V180 WeakPolarHBondContact O-CA 3.16Å; L39-I181 PolarHBondContact O-N 2.68Å |
| 40 | Y | 88.8 | Confident | 73.1 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 48% | 0.475 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.1 | 178.7 | -73.7 | -99 | 0 | 0 | 0 | 108.7 | E38 I181 | E38-Y40 HydrophobicContact CB-CD2 4.44Å; E38-Y40 HydrophobicContact CB-CE2 3.91Å; E38-Y40 PolarHBondContact OE2-OH 3.5Å; Y40-I181 WeakPolarHBondContact CA-O 2.98Å; Y40-I181 HydrophobicContact CD1-CB 3.94Å; Y40-I181 HydrophobicContact CD1-CD1 4.43Å; Y40-I181 HydrophobicContact CD1-CG2 4.18Å; Y40-I181 HydrophobicContact CE1-CB 4.07Å; Y40-I181 HydrophobicContact CE1-CD1 3.75Å; Y40-I181 HydrophobicContact CE1-CG1 4.42Å; Y40-I181 HydrophobicContact CE1-CG2 4.14Å; Y40-I181 HydrophobicContact CE2-CD1 4.41Å |
| 41 | Y | 91.4 | Very high | 75.7 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 164.5 | 166.7 | -60.6 | -63.3 | 0 | 0 | 0 | 108.8 | L39 I53 N55 I56 D59 L102 V180 I181 I182 I183 | L39-Y41 HydrophobicContact CB-CE2 4.47Å; Y41-I53 HydrophobicContact CD2-CG2 4.06Å; Y41-I53 HydrophobicContact CG-CG2 3.79Å; Y41-N55 PolarHBondContact OH-N 3.34Å; Y41-I56 HydrophobicContact CE2-CG1 4.07Å; Y41-I56 PolarHBondContact OH-N 3Å; Y41-D59 VanDerWaalsContact CE1-OD2 3.31Å; Y41-D59 WeakPolarHBondContact CE1-OD2 3.42Å; Y41-D59 PolarHBondContact OH-OD2 3.12Å; Y41-L102 HydrophobicContact CD2-CD2 4.42Å; Y41-V180 HydrophobicContact CD2-CG1 3.56Å; Y41-V180 HydrophobicContact CE2-CG1 3.72Å; Y41-I181 PolarHBondContact N-O 2.78Å; Y41-I182 WeakPolarHBondContact O-CA 3.46Å; Y41-I183 PolarHBondContact O-N 3.02Å |
| 42 | S | 88.6 | Confident | 78.2 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.1 | 166.3 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | I183 H185 | S42-I183 VanDerWaalsContact CA-O 3.28Å; S42-I183 WeakPolarHBondContact CA-O 3.11Å; S42-H185 WeakPolarHBondContact CB-NE2 3.03Å; S42-H185 PolarHBondContact OG-NE2 3.34Å |
| 43 | I | 90.3 | Very high | 80.7 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147 | 179.3 | -167.6 | 138.7 | 0 | 0 | 0 | 107.8 | S47 I53 V104 I108 I182 I183 V184 H185 | I43-S47 WeakPolarHBondContact CG1-OG 3.39Å; I43-I53 HydrophobicContact CD1-CD1 4.19Å; I43-I53 HydrophobicContact CD1-CG1 3.72Å; I43-V104 HydrophobicContact CD1-CG2 3.42Å; I43-V104 VanDerWaalsContact CD1-CG2 3.42Å; I43-I108 HydrophobicContact CG2-CD1 4.16Å; I43-I182 HydrophobicContact CB-CG2 4.46Å; I43-I182 HydrophobicContact CG2-CG2 3.59Å; I43-I183 PolarHBondContact N-O 3.26Å; I43-V184 CarbonylContact O-C 3.5Å; I43-V184 WeakPolarHBondContact O-CA 3.46Å; I43-H185 PolarHBondContact O-N 2.96Å |
| 44 | N | 87.7 | Confident | 82.7 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 153 | 165.5 | -57 | 1.8 | 0 | 0 | 0 | 108.1 | S47 I187 | N44-S47 WeakPolarHBondContact O-CB 3.36Å; N44-S47 PolarHBondContact O-OG 3.06Å; N44-I187 HydrophobicContact CB-CD1 3.91Å; N44-I187 HydrophobicContact CB-CG1 4.12Å |
| 45 | E | 87.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 171.1 | 160.4 | 68.7 | -168.8 | 122.1 | 0 | 0 | 112.3 | S47 I108 R110 V184 H185 D186 I187 | E45-S47 PolarHBondContact O-N 2.8Å; E45-I108 WeakPolarHBondContact CA-O 3.41Å; E45-I108 WeakPolarHBondContact CB-O 3.42Å; E45-R110 HydrophobicContact CB-CB 4.34Å; E45-R110 VanDerWaalsContact CD-CB 3.43Å; E45-R110 WeakPolarHBondContact OE1-CB 3.07Å; E45-R110 IonicContact OE1-NE 3.89Å; E45-R110 WeakPolarHBondContact OE2-CA 3.28Å; E45-R110 WeakPolarHBondContact OE2-CB 3.45Å; E45-R110 PolarHBondContact OE2-N 2.83Å; E45-V184 HydrophobicContact CB-CG1 4.05Å; E45-H185 PolarHBondContact N-O 3.41Å; E45-H185 VanDerWaalsContact N-O 3.08Å; E45-D186 WeakPolarHBondContact OE1-CA 3.46Å; E45-I187 HydrophobicContact CG-CB 3.9Å; E45-I187 HydrophobicContact CG-CD1 4.13Å; E45-I187 HydrophobicContact CG-CG1 3.9Å; E45-I187 WeakPolarHBondContact O-CD1 3.32Å; E45-I187 PolarHBondContact OE1-N 3.42Å |
| 46 | E | 83.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 33% | 0.327 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 9 | -174.9 | -61 | -51.1 | 115.7 | 0 | 0 | 116.5 | E48 R107 I108 I187 | E46-E48 PolarHBondContact O-N 3.4Å; E46-R107 WeakPolarHBondContact OE1-CG 3.34Å; E46-R107 IonicContact OE1-CZ 3.11Å; E46-R107 IonicContact OE1-NE 2.8Å; E46-R107 PolarHBondContact OE1-NE 3.46Å; E46-R107 IonicContact OE1-NH2 2.67Å; E46-R107 PolarHBondContact OE1-NH2 2.67Å; E46-R107 IonicContact OE2-CZ 2.97Å; E46-R107 IonicContact OE2-NE 2.8Å; E46-R107 PolarHBondContact OE2-NE 2.83Å; E46-R107 IonicContact OE2-NH2 3.06Å; E46-R107 PolarHBondContact OE2-NH2 2.87Å; E46-I108 PolarHBondContact N-O 2.88Å; E46-I187 HydrophobicContact CB-CD1 4.4Å |
| 47 | S | 84.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.2 | 176.9 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | I43 N44 E45 | I43-S47 WeakPolarHBondContact CG1-OG 3.39Å; N44-S47 WeakPolarHBondContact O-CB 3.36Å; N44-S47 PolarHBondContact O-OG 3.06Å; E45-S47 PolarHBondContact O-N 2.8Å |
| 48 | E | 86.5 | Confident | 87.2 | Confident | 161 Ų | 161 | 53.7 Ų | 53.7 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 140.8 | -172.1 | -62.6 | -174.8 | 167.8 | 0 | 0 | 112.8 | E46 G50 S51 | E46-E48 PolarHBondContact O-N 3.4Å; E48-G50 PolarHBondContact O-N 3.05Å; E48-S51 PolarHBondContact N-OG 3.2Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 2.99Å; E48-S51 PolarHBondContact O-OG 2.86Å |
| 49 | I | 86.9 | Confident | 87.4 | Confident | 119 Ų | 119 | 52.1 Ų | 52.1 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 123.3 | 177.1 | -62.6 | 176.3 | 0 | 0 | 0 | 109.6 | A105 | I49-A105 WeakPolarHBondContact CG2-O 3.49Š|
| 50 | G | 84.8 | Confident | 87.2 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -2.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E48 F103 V104 | E48-G50 PolarHBondContact O-N 3.05Å; G50-F103 WeakPolarHBondContact O-CD1 3.41Å; G50-V104 WeakPolarHBondContact CA-O 3.44Å; G50-V104 PolarHBondContact N-O 3.47Å |
| 51 | S | 89 | Confident | 86.8 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | trans | -51.5 | 137.1 | 169.4 | -70 | 0 | 0 | 0 | 0 | 111.4 | E48 F103 V104 | E48-S51 PolarHBondContact N-OG 3.2Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 2.99Å; E48-S51 PolarHBondContact O-OG 2.86Å; S51-F103 CarbonylContact O-C 3.53Å; S51-F103 WeakPolarHBondContact O-CA 3.32Å; S51-F103 WeakPolarHBondContact O-CB 3.31Å; S51-V104 PolarHBondContact O-N 2.8Å | ||
| 52 | Y | 91.6 | Very high | 86.4 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 50% | 0.498 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127 | -179.4 | 166.2 | -99 | 0 | 0 | 0 | 111 | G54 N55 K101 F103 | Y52-G54 VanDerWaalsContact CE2-C 3.44Å; Y52-G54 WeakPolarHBondContact CE2-O 3.28Å; Y52-G54 VanDerWaalsContact CZ-C 3.46Å; Y52-G54 VanDerWaalsContact OH-C 3.26Å; Y52-N55 HydrophobicContact CE2-CB 4.45Å; Y52-N55 WeakPolarHBondContact OH-CB 3.37Å; Y52-N55 PolarHBondContact OH-N 2.71Å; Y52-K101 HydrophobicContact CD2-CB 4.22Å; Y52-K101 HydrophobicContact CD2-CG 4.43Å; Y52-K101 HydrophobicContact CE2-CB 3.95Å; Y52-K101 HydrophobicContact CE2-CD 4.28Å; Y52-K101 HydrophobicContact CE2-CG 3.85Å; Y52-F103 HydrophobicContact CD2-CD1 4.28Å; Y52-F103 AromaticContact CD2-CE1 3.94Å; Y52-F103 HydrophobicContact CD2-CE1 3.94Å; Y52-F103 HydrophobicContact CD2-CZ 4.34Å; Y52-F103 HydrophobicContact CG-CE1 4.42Å |
| 53 | I | 89.2 | Confident | 86.1 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -41.1 | -173.8 | -62 | 169 | 0 | 0 | 0 | 111.1 | Y41 I43 F93 L102 V104 I182 | Y41-I53 HydrophobicContact CD2-CG2 4.06Å; Y41-I53 HydrophobicContact CG-CG2 3.79Å; I43-I53 HydrophobicContact CD1-CD1 4.19Å; I43-I53 HydrophobicContact CD1-CG1 3.72Å; I53-F93 HydrophobicContact CD1-CD1 3.37Å; I53-F93 HydrophobicContact CD1-CE1 3.58Å; I53-L102 HydrophobicContact CB-CB 4.34Å; I53-L102 HydrophobicContact CB-CD2 4.39Å; I53-L102 HydrophobicContact CB-CG 4.44Å; I53-L102 HydrophobicContact CD1-CD2 4.33Å; I53-L102 HydrophobicContact CD1-CG 4.24Å; I53-L102 HydrophobicContact CG2-CD2 4.16Å; I53-L102 PolarHBondContact N-O 2.86Å; I53-V104 HydrophobicContact CD1-CG2 4.01Å; I53-V104 HydrophobicContact CG1-CG2 4.25Å; I53-I182 HydrophobicContact CD1-CD1 4.38Å; I53-I182 HydrophobicContact CG2-CD1 4.49Å |
| 54 | G | 87.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y52 K101 L102 | Y52-G54 VanDerWaalsContact CE2-C 3.44Å; Y52-G54 WeakPolarHBondContact CE2-O 3.28Å; Y52-G54 VanDerWaalsContact CZ-C 3.46Å; Y52-G54 VanDerWaalsContact OH-C 3.26Å; G54-K101 WeakPolarHBondContact O-CA 3.28Å; G54-L102 PolarHBondContact O-N 2.83Å |
| 55 | N | 90 | Very high | 85 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 100.3 | 178.1 | -175.1 | -55.9 | 0 | 0 | 0 | 109.9 | Y41 Y52 K57 L58 D59 T99 G100 K101 | Y41-N55 PolarHBondContact OH-N 3.34Å; Y52-N55 HydrophobicContact CE2-CB 4.45Å; Y52-N55 WeakPolarHBondContact OH-CB 3.37Å; Y52-N55 PolarHBondContact OH-N 2.71Å; N55-K57 PolarHBondContact O-N 2.94Å; N55-K57 WeakPolarHBondContact OD1-CA 3.48Å; N55-K57 WeakPolarHBondContact OD1-CB 3.37Å; N55-K57 PolarHBondContact OD1-N 2.91Å; N55-L58 HydrophobicContact CB-CB 4.21Å; N55-L58 HydrophobicContact CB-CD1 4.16Å; N55-L58 PolarHBondContact O-N 2.86Å; N55-L58 PolarHBondContact OD1-N 2.85Å; N55-D59 PolarHBondContact N-OD2 2.83Å; N55-D59 WeakPolarHBondContact O-CB 3.43Å; N55-D59 VanDerWaalsContact O-CG 3.3Å; N55-D59 PolarHBondContact O-N 3.05Å; N55-T99 PolarHBondContact ND2-O 3.33Å; N55-T99 PolarHBondContact OD1-O 3.34Å; N55-G100 CarbonylContact C-O 3.58Å; N55-K101 HydrophobicContact CB-CG 4.36Å; N55-K101 VanDerWaalsContact ND2-CG 3.25Å; N55-K101 WeakPolarHBondContact ND2-CG 3.23Å |
| 56 | I | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -29.4 | -177.1 | -65.6 | 153 | 0 | 0 | 0 | 111.2 | L39 Y41 F60 F79 I95 G100 L102 V170 I172 I178 V180 | L39-I56 HydrophobicContact CD1-CB 4.26Å; L39-I56 HydrophobicContact CD1-CG1 4.25Å; L39-I56 HydrophobicContact CD1-CG2 3.92Å; Y41-I56 HydrophobicContact CE2-CG1 4.07Å; Y41-I56 PolarHBondContact OH-N 3Å; I56-F60 WeakPolarHBondContact O-CB 3.13Å; I56-F60 PolarHBondContact O-N 3.05Å; I56-F79 HydrophobicContact CB-CD1 4.49Å; I56-F79 HydrophobicContact CB-CE1 4.45Å; I56-F79 HydrophobicContact CG2-CD1 4.2Å; I56-F79 HydrophobicContact CG2-CE1 4.13Å; I56-I95 HydrophobicContact CD1-CD1 3.57Å; I56-I95 HydrophobicContact CD1-CG1 4.42Å; I56-G100 WeakPolarHBondContact CB-O 3.48Å; I56-G100 PolarHBondContact N-O 2.86Å; I56-L102 HydrophobicContact CD1-CB 4.05Å; I56-L102 HydrophobicContact CD1-CD1 4.31Å; I56-L102 HydrophobicContact CD1-CD2 4.41Å; I56-V170 HydrophobicContact CD1-CG1 4.46Å; I56-V170 HydrophobicContact CD1-CG2 4.09Å; I56-V170 HydrophobicContact CG2-CG1 4.31Å; I56-I172 HydrophobicContact CG2-CD1 4.31Å; I56-I178 HydrophobicContact CG2-CD1 3.84Å; I56-V180 HydrophobicContact CD1-CG2 4.24Å; I56-V180 HydrophobicContact CG1-CG2 4.31Å |
| 57 | K | 81.5 | Confident | 83.2 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 15% | 0.148 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -62.7 | 172.1 | -175.1 | 165.7 | 176.7 | 157.7 | 0 | 110.9 | N55 D59 F60 E61 I68 N70 F79 | N55-K57 PolarHBondContact O-N 2.94Å; N55-K57 WeakPolarHBondContact OD1-CA 3.48Å; N55-K57 WeakPolarHBondContact OD1-CB 3.37Å; N55-K57 PolarHBondContact OD1-N 2.91Å; K57-D59 VanDerWaalsContact C-N 3.35Å; K57-D59 PolarHBondContact O-N 2.73Å; K57-F60 PolarHBondContact O-N 3.25Å; K57-E61 WeakPolarHBondContact CE-OE1 3.36Å; K57-E61 HydrophobicContact CG-CG 4.48Å; K57-E61 WeakPolarHBondContact O-CB 3.41Å; K57-E61 VanDerWaalsContact O-CG 3.25Å; K57-E61 WeakPolarHBondContact O-CG 3.46Å; K57-E61 PolarHBondContact O-N 2.75Å; K57-I68 WeakPolarHBondContact CE-O 2.98Å; K57-I68 HydrophobicContact CG-CD1 4.12Å; K57-I68 PolarHBondContact NZ-O 2.86Å; K57-N70 PolarHBondContact NZ-OD1 2.91Å; K57-F79 HydrophobicContact CB-CE1 3.89Å; K57-F79 HydrophobicContact CB-CE2 4.13Å; K57-F79 HydrophobicContact CB-CZ 3.36Å; K57-F79 HydrophobicContact CD-CE2 4.19Å; K57-F79 HydrophobicContact CD-CZ 4.02Å; K57-F79 HydrophobicContact CG-CE2 4.42Å; K57-F79 HydrophobicContact CG-CZ 3.77Å |
| 58 | L | 84.6 | Confident | 82.4 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | -176 | -74.7 | 169.3 | 0 | 0 | 0 | 111.7 | N55 K62 | N55-L58 HydrophobicContact CB-CB 4.21Å; N55-L58 HydrophobicContact CB-CD1 4.16Å; N55-L58 PolarHBondContact O-N 2.86Å; N55-L58 PolarHBondContact OD1-N 2.85Å; L58-K62 WeakPolarHBondContact O-CB 3.25Å; L58-K62 PolarHBondContact O-N 3.01Å |
| 59 | D | 86.9 | Confident | 81.1 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.8 | -33.7 | -177.5 | -63.7 | -43.6 | 0 | 0 | 0 | 111.8 | L39 Y41 N55 K57 K63 | L39-D59 HydrophobicContact CD1-CB 4.34Å; L39-D59 HydrophobicContact CD2-CB 4.04Å; Y41-D59 VanDerWaalsContact CE1-OD2 3.31Å; Y41-D59 WeakPolarHBondContact CE1-OD2 3.42Å; Y41-D59 PolarHBondContact OH-OD2 3.12Å; N55-D59 PolarHBondContact N-OD2 2.83Å; N55-D59 WeakPolarHBondContact O-CB 3.43Å; N55-D59 VanDerWaalsContact O-CG 3.3Å; N55-D59 PolarHBondContact O-N 3.05Å; K57-D59 VanDerWaalsContact C-N 3.35Å; K57-D59 PolarHBondContact O-N 2.73Å; D59-K63 WeakPolarHBondContact O-CB 3.35Å; D59-K63 PolarHBondContact O-N 2.89Å |
| 60 | F | 82.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 171.8 | -174.2 | -96.5 | 0 | 0 | 0 | 112 | K37 L39 I56 K57 K62 K63 F64 I66 I68 I172 H176 I178 | K37-F60 HydrophobicContact CB-CE2 4.23Å; K37-F60 HydrophobicContact CD-CE2 3.69Å; K37-F60 HydrophobicContact CD-CZ 4.06Å; L39-F60 HydrophobicContact CD1-CB 4.42Å; I56-F60 WeakPolarHBondContact O-CB 3.13Å; I56-F60 PolarHBondContact O-N 3.05Å; K57-F60 PolarHBondContact O-N 3.25Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 2.9Å; F60-K63 PolarHBondContact O-N 2.85Å; F60-F64 HydrophobicContact CB-CD2 4.43Å; F60-F64 AromaticContact CD2-CD2 3.28Å; F60-F64 HydrophobicContact CD2-CD2 3.28Å; F60-F64 AromaticContact CD2-CE2 3.65Å; F60-F64 HydrophobicContact CD2-CE2 3.65Å; F60-F64 HydrophobicContact CD2-CG 4.31Å; F60-F64 AromaticContact CE2-CD2 3.61Å; F60-F64 HydrophobicContact CE2-CD2 3.61Å; F60-F64 HydrophobicContact CE2-CE2 4.04Å; F60-F64 HydrophobicContact CE2-CG 4.29Å; F60-F64 AromaticContact CG-CD2 3.86Å; F60-F64 HydrophobicContact CG-CD2 3.86Å; F60-F64 HydrophobicContact CZ-CD2 4.41Å; F60-F64 WeakPolarHBondContact O-CB 3.42Å; F60-F64 WeakPolarHBondContact O-CD2 3.44Å; F60-F64 PolarHBondContact O-N 2.92Å; F60-I66 HydrophobicContact CE1-CB 3.97Å; F60-I66 HydrophobicContact CE1-CD1 4.19Å; F60-I66 HydrophobicContact CE1-CG2 4.19Å; F60-I66 HydrophobicContact CZ-CD1 4.22Å; F60-I68 HydrophobicContact CD1-CD1 4.05Å; F60-I172 HydrophobicContact CD1-CD1 4.34Å; F60-I172 HydrophobicContact CG-CD1 4.39Å; F60-H176 HydrophobicContact CZ-CB 4.33Å; F60-I178 HydrophobicContact CB-CD1 4.2Å; F60-I178 HydrophobicContact CD2-CD1 3.24Å; F60-I178 HydrophobicContact CD2-CG1 3.76Å; F60-I178 HydrophobicContact CE2-CD1 3.62Å; F60-I178 HydrophobicContact CE2-CG1 3.68Å; F60-I178 HydrophobicContact CG-CD1 3.8Å; F60-I178 HydrophobicContact CZ-CD1 4.43Å |
| 61 | E | 81.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 64.3 Ų | 64.3 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 175.1 | -74.7 | 178.4 | 157.9 | 0 | 0 | 110.8 | K57 F65 I66 I68 | K57-E61 WeakPolarHBondContact CE-OE1 3.36Å; K57-E61 HydrophobicContact CG-CG 4.48Å; K57-E61 WeakPolarHBondContact O-CB 3.41Å; K57-E61 VanDerWaalsContact O-CG 3.25Å; K57-E61 WeakPolarHBondContact O-CG 3.46Å; K57-E61 PolarHBondContact O-N 2.75Å; E61-F65 VanDerWaalsContact O-CA 3.26Å; E61-F65 WeakPolarHBondContact O-CA 3.45Å; E61-F65 PolarHBondContact O-N 3.25Å; E61-I66 WeakPolarHBondContact CG-O 3.21Å; E61-I68 HydrophobicContact CG-CD1 4.18Å; E61-I68 HydrophobicContact CG-CG1 4.34Å; E61-I68 WeakPolarHBondContact OE1-CB 3.37Å; E61-I68 PolarHBondContact OE1-N 2.98Å |
| 62 | K | 82.7 | Confident | 76.6 | Confident | 160 Ų | 160 | 70.1 Ų | 70.1 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.4 | -38.2 | -179.6 | -178.3 | -177.6 | 173.5 | -168.9 | 0 | 114.1 | L58 F60 | L58-K62 WeakPolarHBondContact O-CB 3.25Å; L58-K62 PolarHBondContact O-N 3.01Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 2.9Å |
| 63 | K | 81.7 | Confident | 74.8 | Confident | 104 Ų | 104 | 71 Ų | 71 | 45% | 0.452 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.5 | -28.3 | -178.3 | -170 | 175 | -177.2 | -179.7 | 0 | 112.8 | E38 L39 D59 F60 | E38-K63 PolarHBondContact O-NZ 3.32Å; L39-K63 HydrophobicContact CD2-CB 4.43Å; L39-K63 HydrophobicContact CD2-CD 3.84Å; D59-K63 WeakPolarHBondContact O-CB 3.35Å; D59-K63 PolarHBondContact O-N 2.89Å; F60-K63 PolarHBondContact O-N 2.85Å |
| 64 | F | 80.6 | Confident | 73.1 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -124.2 | -1.4 | -171.3 | -56 | -70.5 | 0 | 0 | 0 | 115.6 | K37 L39 F60 I66 | K37-F64 HydrophobicContact CB-CE1 4.05Å; K37-F64 HydrophobicContact CB-CE2 3.97Å; K37-F64 HydrophobicContact CB-CZ 3.65Å; K37-F64 HydrophobicContact CD-CB 4.44Å; K37-F64 HydrophobicContact CD-CD1 3.69Å; K37-F64 HydrophobicContact CD-CD2 4.09Å; K37-F64 HydrophobicContact CD-CE1 3.85Å; K37-F64 HydrophobicContact CD-CE2 4.24Å; K37-F64 HydrophobicContact CD-CG 3.81Å; K37-F64 HydrophobicContact CD-CZ 4.12Å; K37-F64 HydrophobicContact CG-CD1 4.17Å; K37-F64 HydrophobicContact CG-CE1 3.81Å; K37-F64 HydrophobicContact CG-CE2 4.45Å; K37-F64 HydrophobicContact CG-CZ 3.96Å; L39-F64 HydrophobicContact CD2-CE2 4.19Å; F60-F64 HydrophobicContact CB-CD2 4.43Å; F60-F64 AromaticContact CD2-CD2 3.28Å; F60-F64 HydrophobicContact CD2-CD2 3.28Å; F60-F64 AromaticContact CD2-CE2 3.65Å; F60-F64 HydrophobicContact CD2-CE2 3.65Å; F60-F64 HydrophobicContact CD2-CG 4.31Å; F60-F64 AromaticContact CE2-CD2 3.61Å; F60-F64 HydrophobicContact CE2-CD2 3.61Å; F60-F64 HydrophobicContact CE2-CE2 4.04Å; F60-F64 HydrophobicContact CE2-CG 4.29Å; F60-F64 AromaticContact CG-CD2 3.86Å; F60-F64 HydrophobicContact CG-CD2 3.86Å; F60-F64 HydrophobicContact CZ-CD2 4.41Å; F60-F64 WeakPolarHBondContact O-CB 3.42Å; F60-F64 WeakPolarHBondContact O-CD2 3.44Å; F60-F64 PolarHBondContact O-N 2.92Å; F64-I66 PolarHBondContact O-N 3.48Å |
| 65 | F | 74.4 | Confident | 71.5 | Confident | 179 Ų | 179 | 79.1 Ų | 79.1 | 79% | 0.785 | 40% | 0.402 | S | S | * | . | trans | 57.5 | 30 | 177.2 | -58.6 | -87.4 | 0 | 0 | 0 | 114.9 | E61 | E61-F65 VanDerWaalsContact O-CA 3.26Å; E61-F65 WeakPolarHBondContact O-CA 3.45Å; E61-F65 PolarHBondContact O-N 3.25Å | ||
| 66 | I | 68.6 | Low | 69.7 | Low | 49 Ų | 49 | 83 Ų | 83 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | trans | -107.9 | 107.5 | 175.2 | -63.2 | 172.7 | 0 | 0 | 0 | 108.2 | K37 F60 E61 F64 | K37-I66 VanDerWaalsContact NZ-CD1 3.28Å; F60-I66 HydrophobicContact CE1-CB 3.97Å; F60-I66 HydrophobicContact CE1-CD1 4.19Å; F60-I66 HydrophobicContact CE1-CG2 4.19Å; F60-I66 HydrophobicContact CZ-CD1 4.22Å; E61-I66 WeakPolarHBondContact CG-O 3.21Å; F64-I66 PolarHBondContact O-N 3.48Å | ||
| 67 | P | 65.7 | Low | 68.5 | Low | 96 Ų | 96 | 83.3 Ų | 83.3 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | trans | -73.9 | 136.4 | 178.9 | 30 | -34 | 0 | 0 | 0 | 111.7 | ||||
| 68 | I | 66.4 | Low | 68 | Low | 15 Ų | 15 | 84 Ų | 84 | 8% | 0.077 | 43% | 0.43 | C | S | . | . | trans | -102.4 | 96.6 | 179.6 | -62 | 159.2 | 0 | 0 | 0 | 108 | K57 F60 E61 N70 F79 I172 | K57-I68 WeakPolarHBondContact CE-O 2.98Å; K57-I68 HydrophobicContact CG-CD1 4.12Å; K57-I68 PolarHBondContact NZ-O 2.86Å; F60-I68 HydrophobicContact CD1-CD1 4.05Å; E61-I68 HydrophobicContact CG-CD1 4.18Å; E61-I68 HydrophobicContact CG-CG1 4.34Å; E61-I68 WeakPolarHBondContact OE1-CB 3.37Å; E61-I68 PolarHBondContact OE1-N 2.98Å; I68-N70 PolarHBondContact O-N 3.1Å; I68-F79 HydrophobicContact CD1-CE1 4.45Å; I68-F79 HydrophobicContact CD1-CZ 3.98Å; I68-F79 HydrophobicContact CG2-CZ 4.48Å; I68-I172 HydrophobicContact CD1-CD1 3.72Å; I68-I172 HydrophobicContact CD1-CG2 3.94Å; I68-I172 HydrophobicContact CG1-CG2 4.24Å; I68-I172 HydrophobicContact CG2-CG2 4.11Å | ||
| 69 | I | 59.6 | Low | 67.8 | Low | 123 Ų | 123 | 79 Ų | 79 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | trans | -76.6 | 108.8 | -176 | -57.3 | 175.8 | 0 | 0 | 0 | 109.5 | D71 | I69-D71 PolarHBondContact O-N 3.41Š| ||
| 70 | N | 58 | Low | 67.3 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | trans | -76.1 | 115.2 | 164.1 | -70.4 | 35.9 | 0 | 0 | 0 | 108 | K57 I68 | K57-N70 PolarHBondContact NZ-OD1 2.91Å; I68-N70 PolarHBondContact O-N 3.1Å | ||
| 71 | D | 53.2 | Low | 67.1 | Low | 70 Ų | 70 | 82.8 Ų | 82.8 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | trans | -115.1 | 119.1 | 162.9 | 160.3 | 30 | 0 | 0 | 0 | 107.5 | I69 N73 T74 | I69-D71 PolarHBondContact O-N 3.41Å; D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 PolarHBondContact OD1-N 2.86Å; D71-N73 PolarHBondContact OD1-ND2 3.32Å; D71-T74 WeakPolarHBondContact CB-OG1 3.49Å; D71-T74 VanDerWaalsContact CG-OG1 3.27Å; D71-T74 PolarHBondContact O-N 3.28Å; D71-T74 VanDerWaalsContact O-N 3.12Å; D71-T74 PolarHBondContact O-OG1 2.86Å; D71-T74 WeakPolarHBondContact OD2-CB 3.47Å; D71-T74 WeakPolarHBondContact OD2-CG2 3.33Å; D71-T74 PolarHBondContact OD2-OG1 3.35Å | ||
| 72 | D | 56.4 | Low | 66.3 | Low | 157 Ų | 157 | 85.7 Ų | 85.7 | 84% | 0.84 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -11.1 | -170.1 | -60.3 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 73 | N | 53.2 | Low | 65.1 | Low | 146 Ų | 146 | 80 Ų | 80 | 78% | 0.781 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -7.2 | -179.5 | -60.7 | -83.5 | 0 | 0 | 0 | 114.6 | D71 | D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 PolarHBondContact OD1-N 2.86Å; D71-N73 PolarHBondContact OD1-ND2 3.32Å |
| 74 | T | 52.1 | Low | 63.6 | Low | 66 Ų | 66 | 80.3 Ų | 80.3 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 9.7 | -164.5 | 56.7 | 0 | 0 | 0 | 0 | 116.5 | D71 L76 | D71-T74 WeakPolarHBondContact CB-OG1 3.49Å; D71-T74 VanDerWaalsContact CG-OG1 3.27Å; D71-T74 PolarHBondContact O-N 3.28Å; D71-T74 VanDerWaalsContact O-N 3.12Å; D71-T74 PolarHBondContact O-OG1 2.86Å; D71-T74 WeakPolarHBondContact OD2-CB 3.47Å; D71-T74 WeakPolarHBondContact OD2-CG2 3.33Å; D71-T74 PolarHBondContact OD2-OG1 3.35Å; T74-L76 PolarHBondContact O-N 3.39Å |
| 75 | N | 54.2 | Low | 61.8 | Low | 128 Ų | 128 | 85.3 Ų | 85.3 | 68% | 0.684 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 17.6 | 178.6 | -77.9 | 1.9 | 0 | 0 | 0 | 115.1 | G77 I78 | N75-G77 PolarHBondContact O-N 2.85Å; N75-I78 HydrophobicContact CB-CD1 3.98Å |
| 76 | L | 52.6 | Low | 60.8 | Low | 89 Ų | 89 | 81.1 Ų | 81.1 | 47% | 0.466 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 20.4 | -161.9 | -117.1 | 154.8 | 0 | 0 | 0 | 115.1 | T74 S173 | T74-L76 PolarHBondContact O-N 3.39Å; L76-S173 WeakPolarHBondContact O-CB 3.41Å; L76-S173 PolarHBondContact O-OG 2.8Å |
| 77 | G | 61.5 | Low | 59.9 | Low | 7 Ų | 7 | 84.4 Ų | 84.4 | 7% | 0.072 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -146 | 21 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | N75 F79 S173 | N75-G77 PolarHBondContact O-N 2.85Å; G77-F79 WeakPolarHBondContact O-CD2 3.44Å; G77-F79 VanDerWaalsContact O-CE2 3.28Å; G77-F79 WeakPolarHBondContact O-CE2 3.08Å; G77-S173 WeakPolarHBondContact CA-OG 3.31Å; G77-S173 PolarHBondContact N-OG 3.36Å |
| 78 | I | 71.5 | Confident | 59.3 | Low | 49 Ų | 49 | 85.5 Ų | 85.5 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | trans | -82.2 | 142.1 | -175.6 | -57.6 | 172.3 | 0 | 0 | 0 | 111.5 | N75 E80 E97 S173 | N75-I78 HydrophobicContact CB-CD1 3.98Å; I78-E80 HydrophobicContact CG2-CG 4.12Å; I78-E97 WeakPolarHBondContact CA-O 3.42Å; I78-E97 HydrophobicContact CG2-CB 4.38Å; I78-S173 PolarHBondContact O-N 2.91Å | ||
| 79 | F | 80.5 | Confident | 58.8 | Low | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.5 | 176.8 | -66.1 | -105.7 | 0 | 0 | 0 | 111 | I56 K57 I68 G77 I95 E97 I172 | I56-F79 HydrophobicContact CB-CD1 4.49Å; I56-F79 HydrophobicContact CB-CE1 4.45Å; I56-F79 HydrophobicContact CG2-CD1 4.2Å; I56-F79 HydrophobicContact CG2-CE1 4.13Å; K57-F79 HydrophobicContact CB-CE1 3.89Å; K57-F79 HydrophobicContact CB-CE2 4.13Å; K57-F79 HydrophobicContact CB-CZ 3.36Å; K57-F79 HydrophobicContact CD-CE2 4.19Å; K57-F79 HydrophobicContact CD-CZ 4.02Å; K57-F79 HydrophobicContact CG-CE2 4.42Å; K57-F79 HydrophobicContact CG-CZ 3.77Å; I68-F79 HydrophobicContact CD1-CE1 4.45Å; I68-F79 HydrophobicContact CD1-CZ 3.98Å; I68-F79 HydrophobicContact CG2-CZ 4.48Å; G77-F79 WeakPolarHBondContact O-CD2 3.44Å; G77-F79 VanDerWaalsContact O-CE2 3.28Å; G77-F79 WeakPolarHBondContact O-CE2 3.08Å; F79-I95 HydrophobicContact CB-CD1 3.83Å; F79-I95 HydrophobicContact CB-CG1 4.32Å; F79-I95 HydrophobicContact CD1-CD1 4.45Å; F79-E97 PolarHBondContact N-O 2.73Å; F79-E97 WeakPolarHBondContact O-CA 3.43Å; F79-I172 HydrophobicContact CD1-CD1 3.97Å; F79-I172 HydrophobicContact CD1-CG1 3.76Å; F79-I172 HydrophobicContact CE1-CD1 3.37Å; F79-I172 HydrophobicContact CE1-CG1 3.67Å; F79-I172 HydrophobicContact CE1-CG2 4.26Å; F79-I172 HydrophobicContact CZ-CD1 4.07Å; F79-I172 HydrophobicContact CZ-CG1 4.41Å; F79-I172 HydrophobicContact CZ-CG2 4.16Å |
| 80 | E | 76.7 | Confident | 58.6 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.8 | -179.4 | -62.6 | 176.7 | -171.5 | 0 | 0 | 110 | I78 C171 R174 | I78-E80 HydrophobicContact CG2-CG 4.12Å; E80-C171 PolarHBondContact N-O 3.2Å; E80-C171 PolarHBondContact O-N 3.19Å; E80-R174 IonicContact OE1-CZ 3.38Å; E80-R174 IonicContact OE1-NE 3.05Å; E80-R174 PolarHBondContact OE1-NE 2.97Å; E80-R174 IonicContact OE1-NH2 2.8Å; E80-R174 PolarHBondContact OE1-NH2 2.67Å; E80-R174 IonicContact OE2-NE 3.83Å |
| 81 | L | 76.8 | Confident | 59.1 | Low | 56 Ų | 56 | 88 Ų | 88 | 29% | 0.293 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.5 | 169.2 | -94.6 | 164.6 | 0 | 0 | 0 | 109.2 | I95 L102 L168 V170 | L81-I95 HydrophobicContact CB-CG2 4.27Å; L81-I95 HydrophobicContact CD1-CB 3.8Å; L81-I95 HydrophobicContact CD1-CG2 3.8Å; L81-I95 HydrophobicContact CG-CB 4.07Å; L81-I95 HydrophobicContact CG-CG2 3.83Å; L81-L102 HydrophobicContact CD1-CD1 4.36Å; L81-L168 HydrophobicContact CD2-CB 4.2Å; L81-L168 HydrophobicContact CD2-CD1 4.45Å; L81-V170 HydrophobicContact CD2-CG2 3.77Å; L81-V170 HydrophobicContact CG-CG2 4.42Å |
| 82 | Y | 66.8 | Low | 60.4 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 43% | 0.431 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.5 | -176.5 | -173.7 | -90.9 | 0 | 0 | 0 | 111.7 | T169 W177 | Y82-T169 HydrophobicContact CD1-CG2 4.38Å; Y82-T169 PolarHBondContact N-O 3.37Å; Y82-W177 HydrophobicContact CD1-CH2 4.02Å; Y82-W177 AromaticContact CD1-CZ3 3.63Å; Y82-W177 HydrophobicContact CD1-CZ3 3.63Å; Y82-W177 AromaticContact CD2-CH2 3.61Å; Y82-W177 HydrophobicContact CD2-CH2 3.61Å; Y82-W177 AromaticContact CD2-CZ3 3.89Å; Y82-W177 HydrophobicContact CD2-CZ3 3.89Å; Y82-W177 HydrophobicContact CE1-CH2 4.21Å; Y82-W177 HydrophobicContact CE1-CZ3 4.16Å; Y82-W177 AromaticContact CE2-CH2 3.81Å; Y82-W177 HydrophobicContact CE2-CH2 3.81Å; Y82-W177 HydrophobicContact CE2-CZ3 4.39Å; Y82-W177 AromaticContact CG-CH2 3.71Å; Y82-W177 HydrophobicContact CG-CH2 3.71Å; Y82-W177 AromaticContact CG-CZ3 3.47Å; Y82-W177 HydrophobicContact CG-CZ3 3.47Å; Y82-W177 VanDerWaalsContact CG-CZ3 3.47Å |
| 83 | N | 57 | Low | 61.9 | Low | 42 Ų | 42 | 78.4 Ų | 78.4 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | trans | -93.9 | 112.1 | 172.3 | -103.7 | 44.1 | 0 | 0 | 0 | 110.3 | D86 K90 | N83-D86 PolarHBondContact ND2-O 3.43Å; N83-K90 PolarHBondContact ND2-NZ 3.02Å; N83-K90 WeakPolarHBondContact OD1-CE 3.26Å; N83-K90 WeakPolarHBondContact OD1-CG 3.04Å | ||
| 84 | D | 50.1 | Low | 63.4 | Low | 109 Ų | 109 | 76.6 Ų | 76.6 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -83.4 | 103.6 | 143.8 | -95.9 | -31 | 0 | 0 | 0 | 108.1 | D86 | D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 2.91Å |
| 85 | N | 43 | Very low | 65.1 | Low | 155 Ų | 155 | 74.7 Ų | 74.7 | 83% | 0.829 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 57.9 | -5.5 | 156.6 | -56.9 | -52 | 0 | 0 | 0 | 121.9 | ||
| 86 | D | 52.1 | Low | 66.6 | Low | 90 Ų | 90 | 70.9 Ų | 70.9 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | trans | -108.7 | 105.6 | 175.4 | -111 | -52.2 | 0 | 0 | 0 | 113.3 | N83 D84 N88 | N83-D86 PolarHBondContact ND2-O 3.43Å; D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 2.91Å; D86-N88 PolarHBondContact O-N 3Å | ||
| 87 | D | 49.7 | Very low | 68 | Low | 118 Ų | 118 | 72.7 Ų | 72.7 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.8 | 177.7 | -85.1 | -27.9 | 0 | 0 | 0 | 113.2 | ||
| 88 | N | 53.1 | Low | 68.7 | Low | 120 Ų | 120 | 79 Ų | 79 | 64% | 0.642 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -47.5 | -179.5 | -71.2 | -29.8 | 0 | 0 | 0 | 112.8 | D86 K90 N91 | D86-N88 PolarHBondContact O-N 3Å; N88-K90 PolarHBondContact O-N 3.19Å; N88-K90 VanDerWaalsContact O-N 3.15Å; N88-N91 PolarHBondContact O-N 2.89Å |
| 89 | N | 56.6 | Low | 69.3 | Low | 46 Ų | 46 | 79 Ų | 79 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -21.8 | -176.5 | -73.6 | -2.8 | 0 | 0 | 0 | 113.2 | N91 L92 H167 L168 | N89-N91 VanDerWaalsContact C-N 3.25Å; N89-N91 PolarHBondContact O-N 3.36Å; N89-L92 PolarHBondContact O-N 2.78Å; N89-H167 PolarHBondContact ND2-O 3.38Å; N89-L168 HydrophobicContact CB-CD2 4.19Å |
| 90 | K | 54.9 | Low | 69.4 | Low | 110 Ų | 110 | 79 Ų | 79 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.6 | -20.1 | -177.2 | -140.9 | 178.5 | -146.7 | 158 | 0 | 114 | N83 N88 | N83-K90 PolarHBondContact ND2-NZ 3.02Å; N83-K90 WeakPolarHBondContact OD1-CE 3.26Å; N83-K90 WeakPolarHBondContact OD1-CG 3.04Å; N88-K90 PolarHBondContact O-N 3.19Å; N88-K90 VanDerWaalsContact O-N 3.15Å |
| 91 | N | 69.1 | Low | 70.1 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -93.6 | -23.8 | 178.7 | -65.8 | -38.1 | 0 | 0 | 0 | 113 | N88 N89 A105 S106 | N88-N91 PolarHBondContact O-N 2.89Å; N89-N91 VanDerWaalsContact C-N 3.25Å; N89-N91 PolarHBondContact O-N 3.36Å; N91-A105 CarbonylContact O-C 3.59Å; N91-A105 VanDerWaalsContact O-CB 3.27Å; N91-A105 WeakPolarHBondContact O-CB 3.48Å; N91-S106 WeakPolarHBondContact O-CB 3.27Å; N91-S106 PolarHBondContact O-N 3.22Å; N91-S106 PolarHBondContact O-OG 3.29Å |
| 92 | L | 81.1 | Confident | 70.7 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.5 | -32.3 | -177.8 | -61.8 | 179.3 | 0 | 0 | 0 | 112.5 | N89 A105 S106 I113 I166 | N89-L92 PolarHBondContact O-N 2.78Å; L92-A105 PolarHBondContact O-N 2.84Å; L92-S106 WeakPolarHBondContact CD2-OG 3.13Å; L92-I113 HydrophobicContact CD1-CD1 4.36Å; L92-I166 HydrophobicContact CD1-CD1 4.04Å |
| 93 | F | 86.5 | Confident | 71.8 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 2% | 0.022 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.2 | -170.1 | -54.1 | -75.6 | 0 | 0 | 0 | 113.6 | I53 L102 F103 I108 I166 L168 I182 | I53-F93 HydrophobicContact CD1-CD1 3.37Å; I53-F93 HydrophobicContact CD1-CE1 3.58Å; F93-L102 HydrophobicContact CB-CD1 4.39Å; F93-F103 WeakPolarHBondContact CA-O 3.28Å; F93-I108 HydrophobicContact CE1-CD1 3.59Å; F93-I108 HydrophobicContact CZ-CD1 3.72Å; F93-I166 HydrophobicContact CE2-CB 4.43Å; F93-I166 HydrophobicContact CE2-CD1 4.08Å; F93-I166 HydrophobicContact CE2-CG2 3.95Å; F93-I166 HydrophobicContact CZ-CD1 4.01Å; F93-L168 HydrophobicContact CB-CD1 3.88Å; F93-L168 HydrophobicContact CD2-CD1 3.65Å; F93-L168 HydrophobicContact CD2-CD2 3.81Å; F93-L168 HydrophobicContact CD2-CG 4.18Å; F93-L168 HydrophobicContact CE2-CD1 4.33Å; F93-L168 HydrophobicContact CE2-CD2 4.45Å; F93-L168 HydrophobicContact CG-CD1 3.75Å; F93-I182 HydrophobicContact CD1-CD1 3.77Å; F93-I182 HydrophobicContact CD2-CD1 4.27Å; F93-I182 HydrophobicContact CE1-CD1 3.45Å; F93-I182 VanDerWaalsContact CE1-CD1 3.45Å; F93-I182 HydrophobicContact CE1-CG2 4.39Å; F93-I182 HydrophobicContact CE2-CD1 3.98Å; F93-I182 HydrophobicContact CG-CD1 4.16Å; F93-I182 HydrophobicContact CZ-CD1 3.56Å; F93-I182 HydrophobicContact CZ-CG2 4.19Å |
| 94 | R | 86.1 | Confident | 73.4 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.6 | 175.2 | 64.2 | -174.9 | -175.5 | 79.9 | 5.5 | 111.1 | F103 V104 A105 | R94-F103 HydrophobicContact CG-CB 3.89Å; R94-F103 PolarHBondContact N-O 3.41Å; R94-F103 VanDerWaalsContact NH2-CG 3.33Å; R94-F103 PolarHBondContact O-N 2.93Å; R94-V104 PolarHBondContact NE-O 3.38Å; R94-A105 HydrophobicContact CB-CB 4Å; R94-A105 HydrophobicContact CG-CB 4.07Å |
| 95 | I | 86.4 | Confident | 75 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.6 | 176.5 | -161.1 | 164.4 | 0 | 0 | 0 | 110.7 | I56 F79 L81 E97 K101 L102 V170 | I56-I95 HydrophobicContact CD1-CD1 3.57Å; I56-I95 HydrophobicContact CD1-CG1 4.42Å; F79-I95 HydrophobicContact CB-CD1 3.83Å; F79-I95 HydrophobicContact CB-CG1 4.32Å; F79-I95 HydrophobicContact CD1-CD1 4.45Å; L81-I95 HydrophobicContact CB-CG2 4.27Å; L81-I95 HydrophobicContact CD1-CB 3.8Å; L81-I95 HydrophobicContact CD1-CG2 3.8Å; L81-I95 HydrophobicContact CG-CB 4.07Å; L81-I95 HydrophobicContact CG-CG2 3.83Å; I95-E97 PolarHBondContact O-N 2.87Å; I95-K101 CarbonylContact C-O 3.57Å; I95-K101 WeakPolarHBondContact CA-O 3.37Å; I95-L102 HydrophobicContact CB-CD1 4.23Å; I95-L102 HydrophobicContact CG1-CD1 4.5Å; I95-V170 HydrophobicContact CD1-CG1 3.81Å; I95-V170 HydrophobicContact CD1-CG2 4.37Å |
| 96 | D | 86.4 | Confident | 77 | Confident | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -81.9 | 106.5 | 165.1 | 175 | -22.9 | 0 | 0 | 0 | 108.4 | M98 T99 G100 K101 F103 | D96-M98 PolarHBondContact O-N 3.42Å; D96-M98 VanDerWaalsContact O-N 3.1Å; D96-M98 PolarHBondContact OD1-N 2.6Å; D96-T99 PolarHBondContact O-N 2.87Å; D96-T99 PolarHBondContact OD1-N 2.95Å; D96-T99 WeakPolarHBondContact OD2-CB 3.42Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.42Å; D96-G100 WeakPolarHBondContact O-CA 3.48Å; D96-G100 PolarHBondContact O-N 2.92Å; D96-K101 HydrophobicContact CB-CB 4.14Å; D96-K101 PolarHBondContact N-O 2.88Å; D96-F103 HydrophobicContact CB-CE2 4.13Å | ||
| 97 | E | 81.1 | Confident | 78.5 | Confident | 127 Ų | 127 | 63.5 Ų | 63.5 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.8 | -176.4 | -60.9 | 177.5 | -178.1 | 0 | 0 | 114 | I78 F79 I95 | I78-E97 WeakPolarHBondContact CA-O 3.42Å; I78-E97 HydrophobicContact CG2-CB 4.38Å; F79-E97 PolarHBondContact N-O 2.73Å; F79-E97 WeakPolarHBondContact O-CA 3.43Å; I95-E97 PolarHBondContact O-N 2.87Å |
| 98 | M | 76.9 | Confident | 80.2 | Confident | 140 Ų | 140 | 57.9 Ų | 57.9 | 69% | 0.69 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -32.5 | -175.4 | -72.8 | -95.4 | -74.3 | 0 | 0 | 112.9 | D96 | D96-M98 PolarHBondContact O-N 3.42Å; D96-M98 VanDerWaalsContact O-N 3.1Å; D96-M98 PolarHBondContact OD1-N 2.6Å |
| 99 | T | 83.9 | Confident | 81.7 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -5.1 | -174.6 | 81 | 0 | 0 | 0 | 0 | 114.8 | N55 D96 K101 | N55-T99 PolarHBondContact ND2-O 3.33Å; N55-T99 PolarHBondContact OD1-O 3.34Å; D96-T99 PolarHBondContact O-N 2.87Å; D96-T99 PolarHBondContact OD1-N 2.95Å; D96-T99 WeakPolarHBondContact OD2-CB 3.42Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.42Å; T99-K101 PolarHBondContact O-N 3.15Å; T99-K101 VanDerWaalsContact OG1-CD 3.28Å; T99-K101 WeakPolarHBondContact OG1-CD 3.12Å; T99-K101 WeakPolarHBondContact OG1-CE 3.33Å; T99-K101 VanDerWaalsContact OG1-CG 3.23Å; T99-K101 WeakPolarHBondContact OG1-CG 3.25Å |
| 100 | G | 84.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | 68.5 | 12.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N55 I56 D96 | N55-G100 CarbonylContact C-O 3.58Å; I56-G100 WeakPolarHBondContact CB-O 3.48Å; I56-G100 PolarHBondContact N-O 2.86Å; D96-G100 WeakPolarHBondContact O-CA 3.48Å; D96-G100 PolarHBondContact O-N 2.92Å | ||
| 101 | K | 89.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.9 | 178.6 | -66 | 173.9 | -169.6 | 167.8 | 0 | 110.6 | Y52 G54 N55 I95 D96 T99 F103 | Y52-K101 HydrophobicContact CD2-CB 4.22Å; Y52-K101 HydrophobicContact CD2-CG 4.43Å; Y52-K101 HydrophobicContact CE2-CB 3.95Å; Y52-K101 HydrophobicContact CE2-CD 4.28Å; Y52-K101 HydrophobicContact CE2-CG 3.85Å; G54-K101 WeakPolarHBondContact O-CA 3.28Å; N55-K101 HydrophobicContact CB-CG 4.36Å; N55-K101 VanDerWaalsContact ND2-CG 3.25Å; N55-K101 WeakPolarHBondContact ND2-CG 3.23Å; I95-K101 CarbonylContact C-O 3.57Å; I95-K101 WeakPolarHBondContact CA-O 3.37Å; D96-K101 HydrophobicContact CB-CB 4.14Å; D96-K101 PolarHBondContact N-O 2.88Å; T99-K101 PolarHBondContact O-N 3.15Å; T99-K101 VanDerWaalsContact OG1-CD 3.28Å; T99-K101 WeakPolarHBondContact OG1-CD 3.12Å; T99-K101 WeakPolarHBondContact OG1-CE 3.33Å; T99-K101 VanDerWaalsContact OG1-CG 3.23Å; T99-K101 WeakPolarHBondContact OG1-CG 3.25Å; K101-F103 HydrophobicContact CB-CD2 4.3Å; K101-F103 HydrophobicContact CB-CE2 3.46Å; K101-F103 VanDerWaalsContact CB-CE2 3.46Å; K101-F103 HydrophobicContact CB-CZ 3.69Å; K101-F103 HydrophobicContact CD-CE2 4.47Å; K101-F103 HydrophobicContact CD-CZ 3.96Å; K101-F103 HydrophobicContact CG-CZ 4.48Å |
| 102 | L | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.8 | 174.6 | -166.2 | 70.5 | 0 | 0 | 0 | 110 | Y41 I53 G54 I56 L81 F93 I95 L168 V180 I182 | Y41-L102 HydrophobicContact CD2-CD2 4.42Å; I53-L102 HydrophobicContact CB-CB 4.34Å; I53-L102 HydrophobicContact CB-CD2 4.39Å; I53-L102 HydrophobicContact CB-CG 4.44Å; I53-L102 HydrophobicContact CD1-CD2 4.33Å; I53-L102 HydrophobicContact CD1-CG 4.24Å; I53-L102 HydrophobicContact CG2-CD2 4.16Å; I53-L102 PolarHBondContact N-O 2.86Å; G54-L102 PolarHBondContact O-N 2.83Å; I56-L102 HydrophobicContact CD1-CB 4.05Å; I56-L102 HydrophobicContact CD1-CD1 4.31Å; I56-L102 HydrophobicContact CD1-CD2 4.41Å; L81-L102 HydrophobicContact CD1-CD1 4.36Å; F93-L102 HydrophobicContact CB-CD1 4.39Å; I95-L102 HydrophobicContact CB-CD1 4.23Å; I95-L102 HydrophobicContact CG1-CD1 4.5Å; L102-L168 HydrophobicContact CD1-CD1 4.43Å; L102-L168 HydrophobicContact CD2-CD1 4.09Å; L102-V180 HydrophobicContact CD2-CG1 4.15Å; L102-I182 HydrophobicContact CD2-CD1 3.93Å |
| 103 | F | 90.9 | Very high | 85 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.2 | 179.8 | -53 | -97.2 | 0 | 0 | 0 | 111.7 | G50 S51 Y52 F93 R94 D96 K101 | G50-F103 WeakPolarHBondContact O-CD1 3.41Å; S51-F103 CarbonylContact O-C 3.53Å; S51-F103 WeakPolarHBondContact O-CA 3.32Å; S51-F103 WeakPolarHBondContact O-CB 3.31Å; Y52-F103 HydrophobicContact CD2-CD1 4.28Å; Y52-F103 AromaticContact CD2-CE1 3.94Å; Y52-F103 HydrophobicContact CD2-CE1 3.94Å; Y52-F103 HydrophobicContact CD2-CZ 4.34Å; Y52-F103 HydrophobicContact CG-CE1 4.42Å; F93-F103 WeakPolarHBondContact CA-O 3.28Å; R94-F103 HydrophobicContact CG-CB 3.89Å; R94-F103 PolarHBondContact N-O 3.41Å; R94-F103 VanDerWaalsContact NH2-CG 3.33Å; R94-F103 PolarHBondContact O-N 2.93Å; D96-F103 HydrophobicContact CB-CE2 4.13Å; K101-F103 HydrophobicContact CB-CD2 4.3Å; K101-F103 HydrophobicContact CB-CE2 3.46Å; K101-F103 VanDerWaalsContact CB-CE2 3.46Å; K101-F103 HydrophobicContact CB-CZ 3.69Å; K101-F103 HydrophobicContact CD-CE2 4.47Å; K101-F103 HydrophobicContact CD-CZ 3.96Å; K101-F103 HydrophobicContact CG-CZ 4.48Å |
| 104 | V | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.6 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | I43 G50 S51 I53 R94 S106 I108 | I43-V104 HydrophobicContact CD1-CG2 3.42Å; I43-V104 VanDerWaalsContact CD1-CG2 3.42Å; G50-V104 WeakPolarHBondContact CA-O 3.44Å; G50-V104 PolarHBondContact N-O 3.47Å; S51-V104 PolarHBondContact O-N 2.8Å; I53-V104 HydrophobicContact CD1-CG2 4.01Å; I53-V104 HydrophobicContact CG1-CG2 4.25Å; R94-V104 PolarHBondContact NE-O 3.38Å; V104-S106 WeakPolarHBondContact CG1-O 3.35Å; V104-I108 HydrophobicContact CG1-CD1 4.43Å; V104-I108 HydrophobicContact CG2-CD1 4.3Å |
| 105 | A | 84.8 | Confident | 83.4 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | trans | -121 | -24.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | I49 N91 L92 R94 | I49-A105 WeakPolarHBondContact CG2-O 3.49Å; N91-A105 CarbonylContact O-C 3.59Å; N91-A105 VanDerWaalsContact O-CB 3.27Å; N91-A105 WeakPolarHBondContact O-CB 3.48Å; L92-A105 PolarHBondContact O-N 2.84Å; R94-A105 HydrophobicContact CB-CB 4Å; R94-A105 HydrophobicContact CG-CB 4.07Å | ||
| 106 | S | 84.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -142.1 | 170.9 | 167.9 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | N91 L92 V104 | N91-S106 WeakPolarHBondContact O-CB 3.27Å; N91-S106 PolarHBondContact O-N 3.22Å; N91-S106 PolarHBondContact O-OG 3.29Å; L92-S106 WeakPolarHBondContact CD2-OG 3.13Å; V104-S106 WeakPolarHBondContact CG1-O 3.35Å |
| 107 | R | 83.6 | Confident | 80.5 | Confident | 122 Ų | 122 | 55.1 Ų | 55.1 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | trans | -51.2 | 138.9 | 171.2 | -172.4 | 178.1 | -178.7 | -114 | -18.5 | 110.3 | E46 D109 | E46-R107 WeakPolarHBondContact OE1-CG 3.34Å; E46-R107 IonicContact OE1-CZ 3.11Å; E46-R107 IonicContact OE1-NE 2.8Å; E46-R107 PolarHBondContact OE1-NE 3.46Å; E46-R107 IonicContact OE1-NH2 2.67Å; E46-R107 PolarHBondContact OE1-NH2 2.67Å; E46-R107 IonicContact OE2-CZ 2.97Å; E46-R107 IonicContact OE2-NE 2.8Å; E46-R107 PolarHBondContact OE2-NE 2.83Å; E46-R107 IonicContact OE2-NH2 3.06Å; E46-R107 PolarHBondContact OE2-NH2 2.87Å; R107-D109 IonicContact CZ-OD2 3.81Å; R107-D109 IonicContact NH1-OD2 3.29Å; R107-D109 PolarHBondContact NH1-OD2 3.26Å; R107-D109 IonicContact NH2-OD2 2.75Å; R107-D109 PolarHBondContact NH2-OD2 3.31Å | ||
| 108 | I | 85.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -115.3 | 120 | 172.7 | -58.9 | 171.7 | 0 | 0 | 0 | 105 | I43 E45 E46 F93 V104 I113 V184 | I43-I108 HydrophobicContact CG2-CD1 4.16Å; E45-I108 WeakPolarHBondContact CA-O 3.41Å; E45-I108 WeakPolarHBondContact CB-O 3.42Å; E46-I108 PolarHBondContact N-O 2.88Å; F93-I108 HydrophobicContact CE1-CD1 3.59Å; F93-I108 HydrophobicContact CZ-CD1 3.72Å; V104-I108 HydrophobicContact CG1-CD1 4.43Å; V104-I108 HydrophobicContact CG2-CD1 4.3Å; I108-I113 HydrophobicContact CG2-CD1 3.9Å; I108-V184 HydrophobicContact CG2-CG1 3.96Å; I108-V184 HydrophobicContact CG2-CG2 4.01Å | ||
| 109 | D | 86.3 | Confident | 77.7 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | trans | -131 | 112.9 | -170.4 | 171.3 | -54.5 | 0 | 0 | 0 | 106.4 | R107 T112 I113 | R107-D109 IonicContact CZ-OD2 3.81Å; R107-D109 IonicContact NH1-OD2 3.29Å; R107-D109 PolarHBondContact NH1-OD2 3.26Å; R107-D109 IonicContact NH2-OD2 2.75Å; R107-D109 PolarHBondContact NH2-OD2 3.31Å; D109-T112 VanDerWaalsContact CG-OG1 3.25Å; D109-T112 WeakPolarHBondContact OD1-CB 3.07Å; D109-T112 PolarHBondContact OD1-N 3.49Å; D109-T112 PolarHBondContact OD1-OG1 3.39Å; D109-I113 WeakPolarHBondContact O-CB 3.39Å; D109-I113 WeakPolarHBondContact O-CD1 3.48Å; D109-I113 WeakPolarHBondContact O-CG1 3.49Å; D109-I113 PolarHBondContact O-N 2.96Å | ||
| 110 | R | 86.3 | Confident | 75.7 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77.8 | -30 | -165.4 | -164.9 | -160.2 | 62.4 | 54.3 | -8.6 | 111.8 | E45 T112 C114 C164 V184 D186 | E45-R110 HydrophobicContact CB-CB 4.34Å; E45-R110 VanDerWaalsContact CD-CB 3.43Å; E45-R110 WeakPolarHBondContact OE1-CB 3.07Å; E45-R110 IonicContact OE1-NE 3.89Å; E45-R110 WeakPolarHBondContact OE2-CA 3.28Å; E45-R110 WeakPolarHBondContact OE2-CB 3.45Å; E45-R110 PolarHBondContact OE2-N 2.83Å; R110-T112 VanDerWaalsContact C-N 3.34Å; R110-C114 HydrophobicContact CG-CB 4.33Å; R110-C114 PolarHBondContact NH1-O 2.89Å; R110-C114 CarbonylContact O-C 3.44Å; R110-C114 VanDerWaalsContact O-CA 3.31Å; R110-C114 WeakPolarHBondContact O-CA 3.04Å; R110-C114 WeakPolarHBondContact O-CB 3.15Å; R110-C114 PolarHBondContact O-N 2.9Å; R110-C164 HydrophobicContact CG-CB 4.05Å; R110-V184 HydrophobicContact CB-CG1 4.21Å; R110-V184 HydrophobicContact CG-CG1 4.14Å; R110-D186 IonicContact CZ-OD1 3.18Å; R110-D186 IonicContact NE-OD1 2.65Å; R110-D186 PolarHBondContact NE-OD1 2.85Å; R110-D186 IonicContact NH2-OD1 2.62Å; R110-D186 PolarHBondContact NH2-OD1 3.16Å |
| 111 | E | 84.2 | Confident | 73.5 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.6 | -78.9 | 52.6 | -115 | 0 | 0 | 110.5 | H190 P230 | E111-H190 IonicContact OE2-CE1 2.8Å; E111-H190 IonicContact OE2-ND1 2.7Å; E111-P230 HydrophobicContact CG-CB 3.44Å; E111-P230 VanDerWaalsContact CG-CB 3.44Å |
| 112 | T | 81.9 | Confident | 71.1 | Confident | 110 Ų | 110 | 68.7 Ų | 68.7 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -73.5 | -37.2 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | D109 R110 | D109-T112 VanDerWaalsContact CG-OG1 3.25Å; D109-T112 WeakPolarHBondContact OD1-CB 3.07Å; D109-T112 PolarHBondContact OD1-N 3.49Å; D109-T112 PolarHBondContact OD1-OG1 3.39Å; R110-T112 VanDerWaalsContact C-N 3.34Å |
| 113 | I | 77 | Confident | 68.6 | Low | 63 Ų | 63 | 76 Ų | 76 | 32% | 0.323 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -84.9 | -34.4 | -176.7 | -64.7 | 167.3 | 0 | 0 | 0 | 112.3 | L92 I108 D109 I166 | L92-I113 HydrophobicContact CD1-CD1 4.36Å; I108-I113 HydrophobicContact CG2-CD1 3.9Å; D109-I113 WeakPolarHBondContact O-CB 3.39Å; D109-I113 WeakPolarHBondContact O-CD1 3.48Å; D109-I113 WeakPolarHBondContact O-CG1 3.49Å; D109-I113 PolarHBondContact O-N 2.96Å; I113-I166 HydrophobicContact CD1-CD1 4.48Å |
| 114 | C | 77.9 | Confident | 66 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -136 | 64.2 | -172.2 | -72 | 0 | 0 | 0 | 0 | 111.6 | R110 C164 | R110-C114 HydrophobicContact CG-CB 4.33Å; R110-C114 PolarHBondContact NH1-O 2.89Å; R110-C114 CarbonylContact O-C 3.44Å; R110-C114 VanDerWaalsContact O-CA 3.31Å; R110-C114 WeakPolarHBondContact O-CA 3.04Å; R110-C114 WeakPolarHBondContact O-CB 3.15Å; R110-C114 PolarHBondContact O-N 2.9Å; C114-C164 HydrophobicContact CB-CB 3.78Å; C114-C164 WeakPolarHBondContact CB-SG 3.2Å; C114-C164 VanDerWaalsContact SG-CA 3.56Å; C114-C164 WeakPolarHBondContact SG-CB 3.18Å; C114-C164 CovalentContact SG-SG 2.04Å; C114-C164 PolarHBondContact SG-SG 2.04Å |
| 115 | P | 62.1 | Low | 63.6 | Low | 87 Ų | 87 | 85.7 Ų | 85.7 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | trans | -62.7 | 157.2 | 179.6 | 26 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 116 | K | 59.6 | Low | 61.3 | Low | 67 Ų | 67 | 90.7 Ų | 90.7 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | trans | -72.2 | 138.2 | -177.3 | -76.1 | 178.9 | 174.8 | 168.5 | 0 | 112.3 | E118 D229 P230 D231 | K116-E118 PolarHBondContact O-N 2.85Å; K116-D229 PolarHBondContact NZ-O 2.88Å; K116-P230 WeakPolarHBondContact CE-O 3.48Å; K116-P230 PolarHBondContact NZ-O 2.88Å; K116-P230 VanDerWaalsContact NZ-O 3.13Å; K116-D231 VanDerWaalsContact CE-O 3.28Å; K116-D231 WeakPolarHBondContact CE-O 3.4Å; K116-D231 PolarHBondContact NZ-O 3.37Å | ||
| 117 | P | 51.7 | Low | 58.9 | Low | 112 Ų | 112 | 95.3 Ų | 95.3 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -64.6 | 0.5 | 176.6 | -24.2 | 34.8 | 0 | 0 | 0 | 117.1 | E119 | P117-E119 VanDerWaalsContact C-N 3.28Å; P117-E119 PolarHBondContact O-N 2.89Å |
| 118 | E | 52.3 | Low | 56.5 | Low | 113 Ų | 113 | 96 Ų | 96 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -79.8 | -5.6 | -172.2 | -64.6 | -177.2 | 135.4 | 0 | 0 | 114 | K116 N122 | K116-E118 PolarHBondContact O-N 2.85Å; E118-N122 PolarHBondContact O-ND2 2.84Å |
| 119 | E | 47.5 | Very low | 53.8 | Low | 161 Ų | 161 | 104.1 Ų | 104.1 | 75% | 0.752 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -70.2 | -33.6 | 177.3 | -60 | -159.4 | 131.5 | 0 | 0 | 112.7 | P117 F121 | P117-E119 VanDerWaalsContact C-N 3.28Å; P117-E119 PolarHBondContact O-N 2.89Å; E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 3.02Å |
| 120 | E | 41.5 | Very low | 51.1 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 81% | 0.808 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -21.3 | -178.7 | -68.5 | -167.2 | 135.6 | 0 | 0 | 114.4 | ||
| 121 | F | 38.2 | Very low | 48.3 | Very low | 140 Ų | 140 | 118 Ų | 118 | 61% | 0.614 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -20.5 | -172.1 | -154.1 | -101.7 | 0 | 0 | 0 | 114 | E119 L125 | E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 3.02Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.83Å |
| 122 | N | 39.1 | Very low | 45.6 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -79.6 | -27.7 | -170.3 | -77.5 | -77.3 | 0 | 0 | 0 | 113.9 | E118 L124 L125 M126 | E118-N122 PolarHBondContact O-ND2 2.84Å; N122-L124 VanDerWaalsContact C-N 3.26Å; N122-L124 PolarHBondContact O-N 3.37Å; N122-L125 PolarHBondContact O-N 2.72Å; N122-M126 PolarHBondContact O-N 3.31Å |
| 123 | E | 36.8 | Very low | 43 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.9 | -26.1 | 178.6 | -66.6 | -158.2 | 128.3 | 0 | 0 | 113.4 | N127 | E123-N127 PolarHBondContact O-ND2 3.19Å |
| 124 | L | 37.6 | Very low | 40.6 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.4 | -24.2 | -178.2 | -76.9 | 163.7 | 0 | 0 | 0 | 113.8 | N122 | N122-L124 VanDerWaalsContact C-N 3.26Å; N122-L124 PolarHBondContact O-N 3.37Å |
| 125 | L | 38.6 | Very low | 38.2 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 54% | 0.539 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -90.1 | -38.7 | 179.6 | -87.9 | 159.3 | 0 | 0 | 0 | 113 | F121 N122 N127 N128 | F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.83Å; N122-L125 PolarHBondContact O-N 2.72Å; L125-N127 PolarHBondContact O-N 2.86Å; L125-N127 VanDerWaalsContact O-N 3.16Å; L125-N128 PolarHBondContact O-N 2.62Å |
| 126 | M | 35 | Very low | 36.6 | Very low | 139 Ų | 139 | 137 Ų | 137 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -65.7 | -19.1 | -177.9 | -73.9 | -155.7 | 156.8 | 0 | 0 | 114.5 | N122 N128 | N122-M126 PolarHBondContact O-N 3.31Å; M126-N128 VanDerWaalsContact C-N 3.33Å; M126-N128 PolarHBondContact O-N 2.88Å |
| 127 | N | 34 | Very low | 35.1 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -0.9 | -179.7 | -81.7 | -65.1 | 0 | 0 | 0 | 115.2 | E123 L125 | E123-N127 PolarHBondContact O-ND2 3.19Å; L125-N127 PolarHBondContact O-N 2.86Å; L125-N127 VanDerWaalsContact O-N 3.16Å |
| 128 | N | 32.6 | Very low | 34.1 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 10.2 | -174.3 | -87 | -52.6 | 0 | 0 | 0 | 116.3 | L125 M126 | L125-N128 PolarHBondContact O-N 2.62Å; M126-N128 VanDerWaalsContact C-N 3.33Å; M126-N128 PolarHBondContact O-N 2.88Å |
| 129 | Q | 29.8 | Very low | 33.1 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | -125 | 45.5 | 179.4 | -71.3 | -165 | -40 | 0 | 0 | 114.7 | ||||
| 130 | Y | 29.8 | Very low | 32.3 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -120.7 | 38.1 | 172.7 | -80.8 | -74.9 | 0 | 0 | 0 | 113.7 | ||
| 131 | S | 27.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -154.3 | 57 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 132 | M | 26.1 | Very low | 31.4 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | trans | -150.5 | 57.2 | 167.6 | -90 | -64.6 | -167.4 | 0 | 0 | 111.2 | ||||
| 133 | I | 27.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -129.8 | 69.8 | 175.4 | -49.6 | -179.5 | 0 | 0 | 0 | 110.6 | ||||
| 134 | S | 26.6 | Very low | 30.5 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -172.6 | 152.3 | 160.4 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 135 | S | 27.4 | Very low | 30 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 85.8 | 170.8 | 70.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 136 | T | 28 | Very low | 29.4 | Very low | 155 Ų | 155 | 130 Ų | 130 | 95% | 0.951 | 78% | 0.775 | S | S | * | * | trans | -91.4 | 88.6 | 139.3 | 33.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 137 | S | 29.1 | Very low | 28.9 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -83.5 | 130.2 | 170.5 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 138 | S | 30.6 | Very low | 28.6 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 40.9 | 138.5 | 142.9 | 62.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 139 | S | 31.8 | Very low | 28.3 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 64 | 102.2 | 146.4 | 61.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 140 | S | 30 | Very low | 28.3 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 30 | 119.6 | 124 | 62.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 141 | A | 30.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | -178.7 | 149.8 | 104 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 142 | S | 30.4 | Very low | 28.3 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 36.7 | 103.8 | 146.9 | 62.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 143 | S | 28.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | 31.3 | 112.1 | 125.2 | 62.5 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 144 | S | 28.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | -173.1 | 156.5 | 115.1 | 40.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 145 | S | 26.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 134.1 | -179.8 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 146 | L | 27.3 | Very low | 29 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -138.6 | 97.2 | 161.1 | -104.3 | 160.1 | 0 | 0 | 0 | 109.8 | ||||
| 147 | S | 24.4 | Very low | 29.1 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -95.3 | 118.2 | 178.8 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 148 | S | 27.6 | Very low | 29.3 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -151.5 | 105.8 | 168.9 | 53.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 149 | S | 26 | Very low | 29.4 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | cis | 62.9 | 46.1 | 42.2 | -45 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 150 | I | 30 | Very low | 29.9 | Very low | 146 Ų | 146 | 129 Ų | 129 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -85 | 106.9 | 155.4 | -61.5 | 177.9 | 0 | 0 | 0 | 106.8 | ||||
| 151 | M | 25.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -85.5 | 133.3 | 167.3 | -57.1 | -155.2 | -58.9 | 0 | 0 | 108.6 | ||||
| 152 | M | 30.6 | Very low | 32.1 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -105.2 | 149.1 | 161.9 | -75.7 | -166.2 | 168.3 | 0 | 0 | 109.5 | ||||
| 153 | D | 29.7 | Very low | 34 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -90.8 | 167 | -148.1 | -150.1 | -10.3 | 0 | 0 | 0 | 114.8 | T155 | D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 2.78Å | ||
| 154 | N | 31 | Very low | 36.6 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -78.2 | 66.7 | -169.1 | -63.3 | -89.5 | 0 | 0 | 0 | 113 | ||
| 155 | T | 31.7 | Very low | 39.1 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 70% | 0.696 | S | S | * | * | trans | -122.7 | -2.5 | -176.7 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | D153 | D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 2.78Å | ||
| 156 | F | 29.5 | Very low | 41.8 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | trans | -103.1 | 5.8 | -170.6 | -109.8 | -94.6 | 0 | 0 | 0 | 116.9 | D158 I159 | F156-D158 VanDerWaalsContact C-N 3.28Å; F156-D158 PolarHBondContact O-N 3.06Å; F156-I159 HydrophobicContact CD1-CD1 3.96Å; F156-I159 HydrophobicContact CE1-CD1 3.77Å; F156-I159 HydrophobicContact CZ-CD1 4.35Å | ||
| 157 | N | 31.7 | Very low | 44.4 | Very low | 160 Ų | 160 | 117.9 Ų | 117.9 | 86% | 0.856 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -2.1 | -172 | -92.2 | -1.2 | 0 | 0 | 0 | 116.5 | ||
| 158 | D | 32.3 | Very low | 47.1 | Very low | 148 Ų | 148 | 113.2 Ų | 113.2 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 12.4 | -163.9 | -133.4 | 4.8 | 0 | 0 | 0 | 114.5 | F156 | F156-D158 VanDerWaalsContact C-N 3.28Å; F156-D158 PolarHBondContact O-N 3.06Å |
| 159 | I | 34.2 | Very low | 49.7 | Very low | 113 Ų | 113 | 110 Ų | 110 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -110.1 | -21.6 | -167.7 | -63.6 | 176.2 | 0 | 0 | 0 | 113.8 | F156 | F156-I159 HydrophobicContact CD1-CD1 3.96Å; F156-I159 HydrophobicContact CE1-CD1 3.77Å; F156-I159 HydrophobicContact CZ-CD1 4.35Å |
| 160 | S | 41.5 | Very low | 52.3 | Low | 95 Ų | 95 | 104.7 Ų | 104.7 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -86.6 | -8.2 | -166.7 | 58.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 161 | T | 48.9 | Very low | 54.5 | Low | 106 Ų | 106 | 98.1 Ų | 98.1 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | trans | -98 | -2.3 | -159.6 | 52 | 0 | 0 | 0 | 0 | 116.4 | E163 | T161-E163 PolarHBondContact O-N 2.76Š| ||
| 162 | K | 57.2 | Low | 56.8 | Low | 181 Ų | 181 | 89.6 Ų | 89.6 | 79% | 0.787 | 47% | 0.467 | S | S | * | . | trans | -66.5 | 129.1 | 175.6 | -74.5 | -173.2 | 176.8 | -179.5 | 0 | 111.5 | K232 | K162-K232 PolarHBondContact O-NZ 3.39Š| ||
| 163 | E | 70.1 | Confident | 58.4 | Low | 103 Ų | 103 | 82.1 Ų | 82.1 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | trans | -76.1 | 158 | 168.7 | -61.4 | 175.2 | 152 | 0 | 0 | 110.3 | T161 Q165 I183 | T161-E163 PolarHBondContact O-N 2.76Å; E163-Q165 HydrophobicContact CB-CG 4Å; E163-Q165 PolarHBondContact O-N 2.94Å; E163-Q165 PolarHBondContact OE2-NE2 3.25Å; E163-I183 HydrophobicContact CB-CG2 4.39Å | ||
| 164 | C | 83.2 | Confident | 60.1 | Low | 11 Ų | 11 | 84 Ų | 84 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 113 | 169.8 | -171.2 | 0 | 0 | 0 | 0 | 108.4 | R110 C114 V184 | R110-C164 HydrophobicContact CG-CB 4.05Å; C114-C164 HydrophobicContact CB-CB 3.78Å; C114-C164 WeakPolarHBondContact CB-SG 3.2Å; C114-C164 VanDerWaalsContact SG-CA 3.56Å; C114-C164 WeakPolarHBondContact SG-CB 3.18Å; C114-C164 CovalentContact SG-SG 2.04Å; C114-C164 PolarHBondContact SG-SG 2.04Å; C164-V184 HydrophobicContact CB-CB 4.17Å; C164-V184 PolarHBondContact O-N 2.86Å |
| 165 | Q | 82.1 | Confident | 61.7 | Low | 82 Ų | 82 | 81.9 Ų | 81.9 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.6 | -172.1 | -64.9 | -176.8 | -6.9 | 0 | 0 | 110.5 | E163 I181 I182 I183 | E163-Q165 HydrophobicContact CB-CG 4Å; E163-Q165 PolarHBondContact O-N 2.94Å; E163-Q165 PolarHBondContact OE2-NE2 3.25Å; Q165-I181 HydrophobicContact CB-CG2 4.43Å; Q165-I182 WeakPolarHBondContact CA-O 3.22Å; Q165-I183 HydrophobicContact CG-CG1 4.27Å |
| 166 | I | 82.7 | Confident | 63.5 | Low | 7 Ų | 7 | 79.6 Ų | 79.6 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.3 | 177.4 | -51.7 | 165.9 | 0 | 0 | 0 | 108.9 | L92 F93 I113 I182 V184 | L92-I166 HydrophobicContact CD1-CD1 4.04Å; F93-I166 HydrophobicContact CE2-CB 4.43Å; F93-I166 HydrophobicContact CE2-CD1 4.08Å; F93-I166 HydrophobicContact CE2-CG2 3.95Å; F93-I166 HydrophobicContact CZ-CD1 4.01Å; I113-I166 HydrophobicContact CD1-CD1 4.48Å; I166-I182 PolarHBondContact N-O 2.81Å; I166-I182 PolarHBondContact O-N 2.44Å; I166-V184 HydrophobicContact CD1-CG2 3.59Å; I166-V184 HydrophobicContact CG1-CG2 4.11Å |
| 167 | H | 82.8 | Confident | 65.6 | Low | 90 Ų | 90 | 75.5 Ų | 75.5 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.9 | -176.6 | -68.2 | -95.3 | 0 | 0 | 0 | 111.4 | N89 | N89-H167 PolarHBondContact ND2-O 3.38Å |
| 168 | L | 81.9 | Confident | 68 | Low | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | 177.6 | -57.9 | 175.4 | 0 | 0 | 0 | 110.5 | L81 N89 F93 L102 V180 I182 | L81-L168 HydrophobicContact CD2-CB 4.2Å; L81-L168 HydrophobicContact CD2-CD1 4.45Å; N89-L168 HydrophobicContact CB-CD2 4.19Å; F93-L168 HydrophobicContact CB-CD1 3.88Å; F93-L168 HydrophobicContact CD2-CD1 3.65Å; F93-L168 HydrophobicContact CD2-CD2 3.81Å; F93-L168 HydrophobicContact CD2-CG 4.18Å; F93-L168 HydrophobicContact CE2-CD1 4.33Å; F93-L168 HydrophobicContact CE2-CD2 4.45Å; F93-L168 HydrophobicContact CG-CD1 3.75Å; L102-L168 HydrophobicContact CD1-CD1 4.43Å; L102-L168 HydrophobicContact CD2-CD1 4.09Å; L168-V180 HydrophobicContact CB-CB 4.28Å; L168-V180 PolarHBondContact N-O 3.37Å; L168-V180 PolarHBondContact O-N 3.13Å; L168-I182 HydrophobicContact CD1-CD1 3.62Å; L168-I182 HydrophobicContact CG-CD1 4.45Å |
| 169 | T | 81.8 | Confident | 70.5 | Confident | 28 Ų | 28 | 62 Ų | 62 | 17% | 0.172 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | Y82 W177 I178 | Y82-T169 HydrophobicContact CD1-CG2 4.38Å; Y82-T169 PolarHBondContact N-O 3.37Å; T169-W177 HydrophobicContact CG2-CE3 3.59Å; T169-W177 HydrophobicContact CG2-CZ3 3.79Å; T169-I178 WeakPolarHBondContact CA-O 3.06Å |
| 170 | V | 80.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.7 | -179.2 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | I56 L81 I95 I178 V180 | I56-V170 HydrophobicContact CD1-CG1 4.46Å; I56-V170 HydrophobicContact CD1-CG2 4.09Å; I56-V170 HydrophobicContact CG2-CG1 4.31Å; L81-V170 HydrophobicContact CD2-CG2 3.77Å; L81-V170 HydrophobicContact CG-CG2 4.42Å; I95-V170 HydrophobicContact CD1-CG1 3.81Å; I95-V170 HydrophobicContact CD1-CG2 4.37Å; V170-I178 HydrophobicContact CB-CB 4.49Å; V170-I178 PolarHBondContact N-O 2.97Å; V170-I178 PolarHBondContact O-N 2.86Å; V170-V180 HydrophobicContact CB-CG2 4.37Å; V170-V180 HydrophobicContact CG2-CG2 3.85Å |
| 171 | C | 75.3 | Confident | 75.1 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.1 | 175 | -162.8 | 0 | 0 | 0 | 0 | 110.6 | E80 H176 W177 | E80-C171 PolarHBondContact N-O 3.2Å; E80-C171 PolarHBondContact O-N 3.19Å; C171-H176 CarbonylContact C-O 3.56Å; C171-H176 WeakPolarHBondContact CA-O 3.45Å; C171-W177 HydrophobicContact CB-CD2 4.46Å; C171-W177 HydrophobicContact CB-CE3 4.38Å; C171-W177 HydrophobicContact CB-CZ3 4.47Å |
| 172 | I | 74.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.5 | 175.9 | -54.8 | -176.6 | 0 | 0 | 0 | 109.5 | I56 F60 I68 F79 R174 I175 H176 I178 | I56-I172 HydrophobicContact CG2-CD1 4.31Å; F60-I172 HydrophobicContact CD1-CD1 4.34Å; F60-I172 HydrophobicContact CG-CD1 4.39Å; I68-I172 HydrophobicContact CD1-CD1 3.72Å; I68-I172 HydrophobicContact CD1-CG2 3.94Å; I68-I172 HydrophobicContact CG1-CG2 4.24Å; I68-I172 HydrophobicContact CG2-CG2 4.11Å; F79-I172 HydrophobicContact CD1-CD1 3.97Å; F79-I172 HydrophobicContact CD1-CG1 3.76Å; F79-I172 HydrophobicContact CE1-CD1 3.37Å; F79-I172 HydrophobicContact CE1-CG1 3.67Å; F79-I172 HydrophobicContact CE1-CG2 4.26Å; F79-I172 HydrophobicContact CZ-CD1 4.07Å; F79-I172 HydrophobicContact CZ-CG1 4.41Å; F79-I172 HydrophobicContact CZ-CG2 4.16Å; I172-R174 PolarHBondContact O-N 2.88Å; I172-I175 PolarHBondContact O-N 2.73Å; I172-H176 HydrophobicContact CB-CB 4.32Å; I172-H176 PolarHBondContact N-O 2.86Å; I172-H176 PolarHBondContact O-N 3.42Å; I172-I178 HydrophobicContact CD1-CD1 3.37Å; I172-I178 HydrophobicContact CG1-CD1 3.94Å |
| 173 | S | 64 | Low | 78.3 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 24.7 | 175.7 | -48.1 | 0 | 0 | 0 | 0 | 114 | L76 G77 I78 I175 | L76-S173 WeakPolarHBondContact O-CB 3.41Å; L76-S173 PolarHBondContact O-OG 2.8Å; G77-S173 WeakPolarHBondContact CA-OG 3.31Å; G77-S173 PolarHBondContact N-OG 3.36Å; I78-S173 PolarHBondContact O-N 2.91Å; S173-I175 WeakPolarHBondContact O-CG1 3.4Å; S173-I175 PolarHBondContact O-N 2.8Å |
| 174 | R | 65.2 | Low | 79.1 | Confident | 171 Ų | 171 | 35.2 Ų | 35.2 | 65% | 0.645 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 21.2 | -174 | -56.6 | -176.9 | 178.9 | 173.1 | 1.3 | 115.1 | E80 I172 | E80-R174 IonicContact OE1-CZ 3.38Å; E80-R174 IonicContact OE1-NE 3.05Å; E80-R174 PolarHBondContact OE1-NE 2.97Å; E80-R174 IonicContact OE1-NH2 2.8Å; E80-R174 PolarHBondContact OE1-NH2 2.67Å; E80-R174 IonicContact OE2-NE 3.83Å; I172-R174 PolarHBondContact O-N 2.88Å |
| 175 | I | 64.6 | Low | 79.3 | Confident | 112 Ų | 112 | 39 Ų | 39 | 57% | 0.574 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -37.5 | -174.6 | -66 | 160.2 | 0 | 0 | 0 | 111.8 | I172 S173 | I172-I175 PolarHBondContact O-N 2.73Å; S173-I175 WeakPolarHBondContact O-CG1 3.4Å; S173-I175 PolarHBondContact O-N 2.8Å |
| 176 | H | 71 | Confident | 79.5 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 30% | 0.296 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.2 | -176.9 | -60 | 97.6 | 0 | 0 | 0 | 111.5 | F60 C171 I172 | F60-H176 HydrophobicContact CZ-CB 4.33Å; C171-H176 CarbonylContact C-O 3.56Å; C171-H176 WeakPolarHBondContact CA-O 3.45Å; I172-H176 HydrophobicContact CB-CB 4.32Å; I172-H176 PolarHBondContact N-O 2.86Å; I172-H176 PolarHBondContact O-N 3.42Å |
| 177 | W | 73 | Confident | 79.7 | Confident | 76 Ų | 76 | 39 Ų | 39 | 29% | 0.288 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.6 | 179.4 | -68.1 | 84.2 | 0 | 0 | 0 | 110.9 | L36 Y82 T169 C171 | L36-W177 HydrophobicContact CD2-CB 3.44Å; L36-W177 VanDerWaalsContact CD2-CB 3.44Å; L36-W177 HydrophobicContact CD2-CG 4.5Å; Y82-W177 HydrophobicContact CD1-CH2 4.02Å; Y82-W177 AromaticContact CD1-CZ3 3.63Å; Y82-W177 HydrophobicContact CD1-CZ3 3.63Å; Y82-W177 AromaticContact CD2-CH2 3.61Å; Y82-W177 HydrophobicContact CD2-CH2 3.61Å; Y82-W177 AromaticContact CD2-CZ3 3.89Å; Y82-W177 HydrophobicContact CD2-CZ3 3.89Å; Y82-W177 HydrophobicContact CE1-CH2 4.21Å; Y82-W177 HydrophobicContact CE1-CZ3 4.16Å; Y82-W177 AromaticContact CE2-CH2 3.81Å; Y82-W177 HydrophobicContact CE2-CH2 3.81Å; Y82-W177 HydrophobicContact CE2-CZ3 4.39Å; Y82-W177 AromaticContact CG-CH2 3.71Å; Y82-W177 HydrophobicContact CG-CH2 3.71Å; Y82-W177 AromaticContact CG-CZ3 3.47Å; Y82-W177 HydrophobicContact CG-CZ3 3.47Å; Y82-W177 VanDerWaalsContact CG-CZ3 3.47Å; T169-W177 HydrophobicContact CG2-CE3 3.59Å; T169-W177 HydrophobicContact CG2-CZ3 3.79Å; C171-W177 HydrophobicContact CB-CD2 4.46Å; C171-W177 HydrophobicContact CB-CE3 4.38Å; C171-W177 HydrophobicContact CB-CZ3 4.47Å |
| 178 | I | 81.5 | Confident | 80 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.5 | -172.7 | -57.5 | 174 | 0 | 0 | 0 | 109 | K37 L39 I56 F60 T169 V170 I172 V180 | K37-I178 WeakPolarHBondContact O-CA 3.37Å; K37-I178 WeakPolarHBondContact O-CG2 2.72Å; L39-I178 HydrophobicContact CB-CG2 4.45Å; L39-I178 HydrophobicContact CD1-CG2 4.1Å; L39-I178 HydrophobicContact CG-CG2 4.11Å; I56-I178 HydrophobicContact CG2-CD1 3.84Å; F60-I178 HydrophobicContact CB-CD1 4.2Å; F60-I178 HydrophobicContact CD2-CD1 3.24Å; F60-I178 HydrophobicContact CD2-CG1 3.76Å; F60-I178 HydrophobicContact CE2-CD1 3.62Å; F60-I178 HydrophobicContact CE2-CG1 3.68Å; F60-I178 HydrophobicContact CG-CD1 3.8Å; F60-I178 HydrophobicContact CZ-CD1 4.43Å; T169-I178 WeakPolarHBondContact CA-O 3.06Å; V170-I178 HydrophobicContact CB-CB 4.49Å; V170-I178 PolarHBondContact N-O 2.97Å; V170-I178 PolarHBondContact O-N 2.86Å; I172-I178 HydrophobicContact CD1-CD1 3.37Å; I172-I178 HydrophobicContact CG1-CD1 3.94Å; I178-V180 HydrophobicContact CG2-CG2 3.77Å |
| 179 | N | 84.2 | Confident | 80.2 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.9 | 165.2 | 179.6 | 20.3 | 0 | 0 | 0 | 107.8 | L36 K37 E38 L39 | L36-N179 HydrophobicContact CB-CB 4.03Å; L36-N179 HydrophobicContact CD1-CB 4.28Å; K37-N179 PolarHBondContact O-N 2.71Å; E38-N179 CarbonylContact C-O 3.54Å; E38-N179 VanDerWaalsContact CA-O 3.28Å; E38-N179 WeakPolarHBondContact CA-O 3.47Å; E38-N179 HydrophobicContact CG-CB 4.12Å; E38-N179 PolarHBondContact OE1-ND2 3.08Å; L39-N179 PolarHBondContact N-O 2.85Å |
| 180 | V | 86.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 110.5 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | L39 Y41 I56 L102 L168 V170 I178 | L39-V180 HydrophobicContact CB-CG2 4.41Å; L39-V180 WeakPolarHBondContact O-CA 3.16Å; Y41-V180 HydrophobicContact CD2-CG1 3.56Å; Y41-V180 HydrophobicContact CE2-CG1 3.72Å; I56-V180 HydrophobicContact CD1-CG2 4.24Å; I56-V180 HydrophobicContact CG1-CG2 4.31Å; L102-V180 HydrophobicContact CD2-CG1 4.15Å; L168-V180 HydrophobicContact CB-CB 4.28Å; L168-V180 PolarHBondContact N-O 3.37Å; L168-V180 PolarHBondContact O-N 3.13Å; V170-V180 HydrophobicContact CB-CG2 4.37Å; V170-V180 HydrophobicContact CG2-CG2 3.85Å; I178-V180 HydrophobicContact CG2-CG2 3.77Å |
| 181 | I | 86 | Confident | 80.9 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.4 | -176.2 | -51.5 | -178.3 | 0 | 0 | 0 | 108.3 | E38 L39 Y40 Y41 Q165 | E38-I181 HydrophobicContact CG-CD1 4.36Å; L39-I181 PolarHBondContact O-N 2.68Å; Y40-I181 WeakPolarHBondContact CA-O 2.98Å; Y40-I181 HydrophobicContact CD1-CB 3.94Å; Y40-I181 HydrophobicContact CD1-CD1 4.43Å; Y40-I181 HydrophobicContact CD1-CG2 4.18Å; Y40-I181 HydrophobicContact CE1-CB 4.07Å; Y40-I181 HydrophobicContact CE1-CD1 3.75Å; Y40-I181 HydrophobicContact CE1-CG1 4.42Å; Y40-I181 HydrophobicContact CE1-CG2 4.14Å; Y40-I181 HydrophobicContact CE2-CD1 4.41Å; Y41-I181 PolarHBondContact N-O 2.78Å; Q165-I181 HydrophobicContact CB-CG2 4.43Å |
| 182 | I | 87.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.4 | -179.9 | -59.3 | -180 | 0 | 0 | 0 | 108.4 | Y41 I43 I53 F93 L102 Q165 I166 L168 | Y41-I182 WeakPolarHBondContact O-CA 3.46Å; I43-I182 HydrophobicContact CB-CG2 4.46Å; I43-I182 HydrophobicContact CG2-CG2 3.59Å; I53-I182 HydrophobicContact CD1-CD1 4.38Å; I53-I182 HydrophobicContact CG2-CD1 4.49Å; F93-I182 HydrophobicContact CD1-CD1 3.77Å; F93-I182 HydrophobicContact CD2-CD1 4.27Å; F93-I182 HydrophobicContact CE1-CD1 3.45Å; F93-I182 VanDerWaalsContact CE1-CD1 3.45Å; F93-I182 HydrophobicContact CE1-CG2 4.39Å; F93-I182 HydrophobicContact CE2-CD1 3.98Å; F93-I182 HydrophobicContact CG-CD1 4.16Å; F93-I182 HydrophobicContact CZ-CD1 3.56Å; F93-I182 HydrophobicContact CZ-CG2 4.19Å; L102-I182 HydrophobicContact CD2-CD1 3.93Å; Q165-I182 WeakPolarHBondContact CA-O 3.22Å; I166-I182 PolarHBondContact N-O 2.81Å; I166-I182 PolarHBondContact O-N 2.44Å; L168-I182 HydrophobicContact CD1-CD1 3.62Å; L168-I182 HydrophobicContact CG-CD1 4.45Å |
| 183 | I | 87.3 | Confident | 82.3 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.138 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.8 | 172.6 | -55.6 | 169.5 | 0 | 0 | 0 | 108.1 | Y41 S42 I43 E163 Q165 | Y41-I183 PolarHBondContact O-N 3.02Å; S42-I183 VanDerWaalsContact CA-O 3.28Å; S42-I183 WeakPolarHBondContact CA-O 3.11Å; I43-I183 PolarHBondContact N-O 3.26Å; E163-I183 HydrophobicContact CB-CG2 4.39Å; Q165-I183 HydrophobicContact CG-CG1 4.27Å |
| 184 | V | 87 | Confident | 83.4 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | I43 E45 I108 R110 C164 I166 | I43-V184 CarbonylContact O-C 3.5Å; I43-V184 WeakPolarHBondContact O-CA 3.46Å; E45-V184 HydrophobicContact CB-CG1 4.05Å; I108-V184 HydrophobicContact CG2-CG1 3.96Å; I108-V184 HydrophobicContact CG2-CG2 4.01Å; R110-V184 HydrophobicContact CB-CG1 4.21Å; R110-V184 HydrophobicContact CG-CG1 4.14Å; C164-V184 HydrophobicContact CB-CB 4.17Å; C164-V184 PolarHBondContact O-N 2.86Å; I166-V184 HydrophobicContact CD1-CG2 3.59Å; I166-V184 HydrophobicContact CG1-CG2 4.11Å |
| 185 | H | 86.4 | Confident | 84.1 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.1 | 176 | -62.7 | -52.2 | 0 | 0 | 0 | 111.6 | S42 I43 E45 | S42-H185 WeakPolarHBondContact CB-NE2 3.03Å; S42-H185 PolarHBondContact OG-NE2 3.34Å; I43-H185 PolarHBondContact O-N 2.96Å; E45-H185 PolarHBondContact N-O 3.41Å; E45-H185 VanDerWaalsContact N-O 3.08Å |
| 186 | D | 86.9 | Confident | 84.5 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 125.6 | 175.9 | -174.7 | 94.9 | 0 | 0 | 0 | 111.8 | E45 R110 K232 N235 | E45-D186 WeakPolarHBondContact OE1-CA 3.46Å; R110-D186 IonicContact CZ-OD1 3.18Å; R110-D186 IonicContact NE-OD1 2.65Å; R110-D186 PolarHBondContact NE-OD1 2.85Å; R110-D186 IonicContact NH2-OD1 2.62Å; R110-D186 PolarHBondContact NH2-OD1 3.16Å; D186-K232 HydrophobicContact CB-CB 4.49Å; D186-K232 VanDerWaalsContact OD1-CB 3.25Å; D186-K232 WeakPolarHBondContact OD1-CB 3.25Å; D186-K232 PolarHBondContact OD1-N 3.35Å; D186-K232 PolarHBondContact OD2-N 3.13Å; D186-N235 WeakPolarHBondContact OD2-CB 3.46Å; D186-N235 PolarHBondContact OD2-ND2 2.87Å |
| 187 | I | 86.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -100.7 | 146.8 | 166.3 | -68.5 | -178 | 0 | 0 | 0 | 108.1 | N44 E45 E46 D189 | N44-I187 HydrophobicContact CB-CD1 3.91Å; N44-I187 HydrophobicContact CB-CG1 4.12Å; E45-I187 HydrophobicContact CG-CB 3.9Å; E45-I187 HydrophobicContact CG-CD1 4.13Å; E45-I187 HydrophobicContact CG-CG1 3.9Å; E45-I187 WeakPolarHBondContact O-CD1 3.32Å; E45-I187 PolarHBondContact OE1-N 3.42Å; E46-I187 HydrophobicContact CB-CD1 4.4Å; I187-D189 VanDerWaalsContact C-N 3.33Å; I187-D189 HydrophobicContact CG2-CB 4.18Å; I187-D189 PolarHBondContact O-N 3.31Å |
| 188 | N | 88.5 | Confident | 82.6 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | trans | -75.3 | 88.6 | 164.4 | -179.9 | -97.6 | 0 | 0 | 0 | 108.8 | D231 N235 D286 K293 | N188-D231 WeakPolarHBondContact CA-OD2 3.17Å; N188-D231 PolarHBondContact ND2-OD2 2.99Å; N188-D231 VanDerWaalsContact ND2-OD2 3.1Å; N188-N235 HydrophobicContact CB-CB 3.89Å; N188-N235 PolarHBondContact N-ND2 3.06Å; N188-N235 PolarHBondContact ND2-O 3.02Å; N188-D286 VanDerWaalsContact ND2-CG 3.27Å; N188-D286 PolarHBondContact ND2-OD2 2.84Å; N188-K293 PolarHBondContact O-NZ 2.86Å; N188-K293 WeakPolarHBondContact OD1-CE 3.2Å; N188-K293 WeakPolarHBondContact OD1-CG 3.46Å; N188-K293 PolarHBondContact OD1-NZ 2.95Å | ||
| 189 | D | 87.5 | Confident | 80.8 | Confident | 57 Ų | 57 | 50 Ų | 50 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | trans | -110.6 | -32.4 | 178.2 | 88.1 | -42.7 | 0 | 0 | 0 | 112.5 | I187 D231 K293 | I187-D189 VanDerWaalsContact C-N 3.33Å; I187-D189 HydrophobicContact CG2-CB 4.18Å; I187-D189 PolarHBondContact O-N 3.31Å; D189-D231 PolarHBondContact N-OD2 3.22Å; D189-K293 VanDerWaalsContact CA-NZ 3.26Å; D189-K293 PolarHBondContact O-NZ 3.44Å | ||
| 190 | H | 87.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.5 | -178.3 | 170.5 | -58.8 | 76.5 | 0 | 0 | 0 | 113.1 | E111 P230 D231 K293 | E111-H190 IonicContact OE2-CE1 2.8Å; E111-H190 IonicContact OE2-ND1 2.7Å; H190-P230 HydrophobicContact CB-CB 4.17Å; H190-P230 HydrophobicContact CB-CG 3.84Å; H190-D231 WeakPolarHBondContact CB-OD1 3.28Å; H190-D231 IonicContact CG-OD1 3.54Å; H190-D231 PolarHBondContact N-OD1 3.49Å; H190-D231 PolarHBondContact N-OD2 3.23Å; H190-D231 IonicContact ND1-OD1 2.73Å; H190-D231 PolarHBondContact ND1-OD1 3.34Å; H190-K293 WeakPolarHBondContact O-CD 3.42Å; H190-K293 PolarHBondContact O-NZ 3.05Å |
| 191 | I | 88.4 | Confident | 76.2 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | trans | -141 | 143.7 | -179 | -173.6 | 170.9 | 0 | 0 | 0 | 108.7 | K293 | I191-K293 HydrophobicContact CB-CB 4.33Å; I191-K293 HydrophobicContact CB-CD 4.22Å; I191-K293 HydrophobicContact CD1-CB 4.02Å; I191-K293 HydrophobicContact CG1-CB 3.76Å; I191-K293 HydrophobicContact CG1-CD 4.47Å | ||
| 192 | P | 90.4 | Very high | 74.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -49.8 | 143.7 | 170.6 | -30 | 33.9 | 0 | 0 | 0 | 113.1 | K228 I237 A284 D286 F295 | P192-K228 CarbonylContact C-O 3.38Å; P192-K228 WeakPolarHBondContact CA-O 3.43Å; P192-I237 HydrophobicContact CB-CD1 4.25Å; P192-I237 HydrophobicContact CB-CG1 3.8Å; P192-I237 HydrophobicContact CG-CG1 3.73Å; P192-A284 HydrophobicContact CB-CB 3.97Å; P192-D286 HydrophobicContact CG-CB 4.23Å; P192-F295 WeakPolarHBondContact O-CB 3.32Å; P192-F295 WeakPolarHBondContact O-CG 3.1Å | ||
| 193 | Y | 88.5 | Confident | 71.6 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -147.8 | 148 | 175.5 | 67.4 | -88.4 | 0 | 0 | 0 | 112.6 | Q195 A227 K228 | Y193-Q195 HydrophobicContact CE2-CB 4.41Å; Y193-A227 CarbonylContact O-C 3.59Å; Y193-A227 VanDerWaalsContact O-CA 3.26Å; Y193-A227 WeakPolarHBondContact O-CA 3.2Å; Y193-A227 WeakPolarHBondContact O-CB 3.18Å; Y193-K228 HydrophobicContact CD1-CB 4.38Å; Y193-K228 VanDerWaalsContact CD1-O 3.29Å; Y193-K228 WeakPolarHBondContact CD1-O 3.21Å; Y193-K228 HydrophobicContact CD2-CB 4.46Å; Y193-K228 HydrophobicContact CE1-CB 3.81Å; Y193-K228 HydrophobicContact CE2-CB 3.89Å; Y193-K228 HydrophobicContact CE2-CD 4.3Å; Y193-K228 PolarHBondContact N-O 3.21Å; Y193-K228 PolarHBondContact O-N 3.04Å |
| 194 | F | 87.4 | Confident | 69.9 | Low | 14 Ų | 14 | 78.3 Ų | 78.3 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | trans | -96 | 124.3 | 174 | -67.2 | -95.8 | 0 | 0 | 0 | 110.4 | L196 I225 A227 Y240 L282 A284 F295 Q297 | F194-L196 VanDerWaalsContact C-N 3.3Å; F194-L196 HydrophobicContact CB-CG 4.47Å; F194-L196 PolarHBondContact O-N 2.68Å; F194-I225 WeakPolarHBondContact CE1-O 3.26Å; F194-A227 HydrophobicContact CD1-CB 4.08Å; F194-A227 HydrophobicContact CD2-CB 4.13Å; F194-A227 HydrophobicContact CE1-CB 3.96Å; F194-A227 HydrophobicContact CE2-CB 4.02Å; F194-A227 HydrophobicContact CG-CB 4.18Å; F194-A227 HydrophobicContact CZ-CB 3.94Å; F194-Y240 HydrophobicContact CE1-CE1 4Å; F194-Y240 HydrophobicContact CZ-CD1 4.11Å; F194-Y240 AromaticContact CZ-CE1 3.73Å; F194-Y240 HydrophobicContact CZ-CE1 3.73Å; F194-L282 HydrophobicContact CE1-CD2 3.59Å; F194-L282 HydrophobicContact CE1-CG 4.23Å; F194-L282 HydrophobicContact CZ-CD2 3.64Å; F194-L282 HydrophobicContact CZ-CG 3.75Å; F194-A284 HydrophobicContact CE2-CB 3.75Å; F194-A284 HydrophobicContact CZ-CB 3.84Å; F194-F295 AromaticContact CD2-CD1 3.82Å; F194-F295 HydrophobicContact CD2-CD1 3.82Å; F194-F295 HydrophobicContact CD2-CE1 4.1Å; F194-F295 HydrophobicContact CE2-CD1 4.28Å; F194-Q297 HydrophobicContact CB-CG 4.33Å; F194-Q297 HydrophobicContact CD2-CB 3.49Å; F194-Q297 VanDerWaalsContact CD2-CB 3.49Å; F194-Q297 HydrophobicContact CD2-CG 3.95Å; F194-Q297 HydrophobicContact CE2-CB 3.68Å; F194-Q297 HydrophobicContact CE2-CG 4.41Å; F194-Q297 HydrophobicContact CG-CB 4.16Å; F194-Q297 HydrophobicContact CG-CG 4.1Å; F194-Q297 HydrophobicContact CZ-CB 4.48Å | ||
| 195 | Q | 78.5 | Confident | 68.5 | Low | 110 Ų | 110 | 83.8 Ų | 83.8 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | trans | -84 | 69.5 | -179.9 | -166.7 | 177.3 | -2.1 | 0 | 0 | 111.5 | Y193 | Y193-Q195 HydrophobicContact CE2-CB 4.41Š| ||
| 196 | L | 74.8 | Confident | 67.9 | Low | 35 Ų | 35 | 83 Ų | 83 | 18% | 0.183 | 46% | 0.455 | C | S | . | . | trans | -77.8 | 127.7 | 172.2 | -61.3 | 176.7 | 0 | 0 | 0 | 110.5 | F194 S198 L206 Y208 I225 Q297 | F194-L196 VanDerWaalsContact C-N 3.3Å; F194-L196 HydrophobicContact CB-CG 4.47Å; F194-L196 PolarHBondContact O-N 2.68Å; L196-S198 PolarHBondContact O-N 3.39Å; L196-L206 HydrophobicContact CB-CB 4.49Å; L196-L206 HydrophobicContact CB-CD1 3.72Å; L196-L206 HydrophobicContact CD1-CB 3.96Å; L196-Y208 HydrophobicContact CD2-CD2 4.19Å; L196-Y208 HydrophobicContact CD2-CG 4.15Å; L196-I225 HydrophobicContact CD2-CD1 3.85Å; L196-Q297 HydrophobicContact CD1-CG 4.42Å | ||
| 197 | T | 57.3 | Low | 67.7 | Low | 130 Ų | 130 | 85.9 Ų | 85.9 | 80% | 0.798 | 47% | 0.469 | S | S | * | . | trans | -85.9 | 101.2 | -178.1 | 39.3 | 0 | 0 | 0 | 0 | 112 | S199 | T197-S199 PolarHBondContact O-N 3.1Š| ||
| 198 | S | 45.9 | Very low | 67.9 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | trans | -67.5 | 115.3 | 171.4 | 34.6 | 0 | 0 | 0 | 0 | 111.8 | L196 S200 | L196-S198 PolarHBondContact O-N 3.39Å; S198-S200 PolarHBondContact O-N 3.46Å | ||
| 199 | S | 42.9 | Very low | 67.9 | Low | 128 Ų | 128 | 87.1 Ų | 87.1 | 90% | 0.895 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -85.9 | 19.7 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | T197 | T197-S199 PolarHBondContact O-N 3.1Š|
| 200 | S | 38.3 | Very low | 68.1 | Low | 78 Ų | 78 | 85 Ų | 85 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -162.5 | 153.1 | 171.7 | 56 | 0 | 0 | 0 | 0 | 113.1 | S198 I202 | S198-S200 PolarHBondContact O-N 3.46Å; S200-I202 PolarHBondContact O-N 3.33Å |
| 201 | N | 35.9 | Very low | 68.3 | Low | 173 Ų | 173 | 86.9 Ų | 86.9 | 93% | 0.925 | 48% | 0.475 | S | S | * | . | trans | -83.2 | 85.4 | 177.9 | -77.7 | -24.1 | 0 | 0 | 0 | 111.6 | ||||
| 202 | I | 41.7 | Very low | 68.4 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | trans | -133.2 | 136.3 | 163.6 | -60 | -176.8 | 0 | 0 | 0 | 109 | S200 E204 | S200-I202 PolarHBondContact O-N 3.33Å; I202-E204 HydrophobicContact CG2-CB 4.09Å; I202-E204 HydrophobicContact CG2-CG 3.8Å; I202-E204 PolarHBondContact O-N 2.7Å | ||
| 203 | S | 36 | Very low | 68.5 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 90% | 0.902 | 47% | 0.472 | S | S | * | . | trans | -80.7 | 51.1 | -179.5 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 204 | E | 51 | Low | 68.6 | Low | 151 Ų | 151 | 81.8 Ų | 81.8 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -115.6 | 147.3 | 177.6 | -77.5 | 176.7 | 176.2 | 0 | 0 | 110.4 | I202 L206 | I202-E204 HydrophobicContact CG2-CB 4.09Å; I202-E204 HydrophobicContact CG2-CG 3.8Å; I202-E204 PolarHBondContact O-N 2.7Å; E204-L206 PolarHBondContact O-N 2.71Å |
| 205 | K | 58.5 | Low | 68.7 | Low | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | trans | -76.1 | 96.3 | -176.7 | -160.6 | 178.6 | -175.6 | -170.2 | 0 | 108.6 | I207 N296 P298 | K205-I207 PolarHBondContact O-N 3.44Å; K205-N296 VanDerWaalsContact CE-O 3.31Å; K205-N296 WeakPolarHBondContact CE-O 3.37Å; K205-N296 PolarHBondContact NZ-O 2.69Å; K205-P298 HydrophobicContact CD-CG 3.92Å; K205-P298 HydrophobicContact CG-CG 4.1Å | ||
| 206 | L | 73.3 | Confident | 69.2 | Low | 73 Ų | 73 | 80.9 Ų | 80.9 | 38% | 0.382 | 46% | 0.464 | S | S | . | . | trans | -41.4 | 130.6 | -178.4 | -66.2 | 171.5 | 0 | 0 | 0 | 111.4 | L196 E204 Q297 | L196-L206 HydrophobicContact CB-CB 4.49Å; L196-L206 HydrophobicContact CB-CD1 3.72Å; L196-L206 HydrophobicContact CD1-CB 3.96Å; E204-L206 PolarHBondContact O-N 2.71Å; L206-Q297 PolarHBondContact O-NE2 3.12Å | ||
| 207 | I | 82.6 | Confident | 69.8 | Low | 97 Ų | 97 | 83.8 Ų | 83.8 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | trans | -85.7 | 130.2 | 173.2 | -55.9 | 175.7 | 0 | 0 | 0 | 108.1 | K205 I209 P298 Q300 | K205-I207 PolarHBondContact O-N 3.44Å; I207-I209 HydrophobicContact CB-CG1 4.42Å; I207-I209 HydrophobicContact CG2-CG1 3.99Å; I207-I209 PolarHBondContact O-N 3.1Å; I207-P298 HydrophobicContact CG1-CB 4.24Å; I207-Q300 HydrophobicContact CG2-CB 3.74Å | ||
| 208 | Y | 90.4 | Very high | 71.1 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 9% | 0.09 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 105.9 | 172 | -177.8 | -163.2 | 0 | 0 | 0 | 108.7 | L196 V210 L224 I225 L282 P298 F299 Q300 | L196-Y208 HydrophobicContact CD2-CD2 4.19Å; L196-Y208 HydrophobicContact CD2-CG 4.15Å; Y208-V210 HydrophobicContact CE2-CG2 3.93Å; Y208-L224 HydrophobicContact CE1-CB 4.33Å; Y208-L224 HydrophobicContact CE1-CD2 4.3Å; Y208-L224 VanDerWaalsContact OH-CA 3.27Å; Y208-L224 WeakPolarHBondContact OH-CA 3.35Å; Y208-I225 HydrophobicContact CE1-CB 4.21Å; Y208-I225 HydrophobicContact CE2-CD1 4.05Å; Y208-I225 HydrophobicContact CE2-CG1 4.44Å; Y208-I225 PolarHBondContact OH-N 3.28Å; Y208-L282 HydrophobicContact CD1-CD2 4.12Å; Y208-L282 HydrophobicContact CE1-CD2 4.18Å; Y208-P298 PolarHBondContact N-O 3.34Å; Y208-F299 AromaticContact CD1-CD2 3.65Å; Y208-F299 HydrophobicContact CD1-CD2 3.65Å; Y208-F299 AromaticContact CD1-CE2 3.81Å; Y208-F299 HydrophobicContact CD1-CE2 3.81Å; Y208-F299 HydrophobicContact CE1-CD2 4.27Å; Y208-F299 AromaticContact CE1-CE2 3.97Å; Y208-F299 HydrophobicContact CE1-CE2 3.97Å; Y208-F299 AromaticContact CG-CD2 3.94Å; Y208-F299 HydrophobicContact CG-CD2 3.94Å; Y208-F299 HydrophobicContact CG-CE2 4.21Å; Y208-F299 WeakPolarHBondContact O-CA 3.45Å; Y208-F299 WeakPolarHBondContact O-CD2 2.93Å; Y208-Q300 PolarHBondContact O-N 2.94Å |
| 209 | I | 89.7 | Confident | 73.1 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.6 | -178.8 | -49.8 | 179.9 | 0 | 0 | 0 | 109.9 | I207 Q300 H302 | I207-I209 HydrophobicContact CB-CG1 4.42Å; I207-I209 HydrophobicContact CG2-CG1 3.99Å; I207-I209 PolarHBondContact O-N 3.1Å; I209-Q300 CarbonylContact C-O 3.55Å; I209-Q300 WeakPolarHBondContact CA-O 3.45Å; I209-Q300 HydrophobicContact CG1-CB 4.26Å; I209-H302 HydrophobicContact CG2-CB 4.35Å |
| 210 | V | 90.2 | Very high | 75.4 | Confident | 13 Ų | 13 | 80 Ų | 80 | 8% | 0.079 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.2 | 171.1 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | Y208 V212 I222 L224 F299 Q300 V301 H302 | Y208-V210 HydrophobicContact CE2-CG2 3.93Å; V210-V212 HydrophobicContact CG1-CG2 4.14Å; V210-I222 HydrophobicContact CG1-CG2 3.97Å; V210-L224 HydrophobicContact CG2-CD2 3.76Å; V210-F299 HydrophobicContact CB-CE2 4.48Å; V210-F299 HydrophobicContact CB-CZ 4.46Å; V210-F299 HydrophobicContact CG2-CE2 3.67Å; V210-F299 HydrophobicContact CG2-CZ 3.98Å; V210-Q300 PolarHBondContact N-O 3.37Å; V210-V301 WeakPolarHBondContact O-CA 3.34Å; V210-H302 PolarHBondContact O-N 3.28Å |
| 211 | N | 91.8 | Very high | 77.9 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.8 | 177.9 | -66 | -1.2 | 0 | 0 | 0 | 110.2 | H302 T304 | N211-H302 CarbonylContact C-O 3.56Å; N211-H302 WeakPolarHBondContact CA-O 3.3Å; N211-T304 HydrophobicContact CB-CG2 4.05Å |
| 212 | V | 91.6 | Very high | 80.4 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.2 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | V210 V216 I222 I266 L270 V301 H302 I303 T304 | V210-V212 HydrophobicContact CG1-CG2 4.14Å; V212-V216 HydrophobicContact CG1-CB 4.37Å; V212-V216 HydrophobicContact CG1-CG2 4.16Å; V212-I222 HydrophobicContact CB-CD1 4.25Å; V212-I222 HydrophobicContact CG1-CD1 3.87Å; V212-I222 HydrophobicContact CG2-CD1 3.49Å; V212-I222 VanDerWaalsContact CG2-CD1 3.49Å; V212-I266 HydrophobicContact CG1-CD1 4.22Å; V212-I266 HydrophobicContact CG1-CG1 4.3Å; V212-L270 HydrophobicContact CG1-CD1 3.78Å; V212-V301 HydrophobicContact CB-CG1 4.42Å; V212-V301 HydrophobicContact CG2-CG1 3.51Å; V212-H302 PolarHBondContact N-O 2.66Å; V212-I303 HydrophobicContact CB-CD1 4.3Å; V212-I303 CarbonylContact O-C 3.26Å; V212-I303 WeakPolarHBondContact O-CA 3.39Å; V212-T304 PolarHBondContact O-N 2.8Å; V212-T304 PolarHBondContact O-OG1 3.33Å |
| 213 | S | 91.4 | Very high | 82.8 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 137.3 | 172.8 | -160.6 | 0 | 0 | 0 | 0 | 109.8 | S215 V216 T304 V306 | S213-S215 VanDerWaalsContact C-N 3.25Å; S213-S215 PolarHBondContact O-N 2.88Å; S213-S215 PolarHBondContact OG-OG 2.77Å; S213-S215 VanDerWaalsContact OG-OG 3.05Å; S213-V216 WeakPolarHBondContact O-CB 2.97Å; S213-V216 WeakPolarHBondContact O-CG2 3.35Å; S213-V216 PolarHBondContact O-N 2.88Å; S213-T304 WeakPolarHBondContact CA-OG1 3.14Å; S213-V306 WeakPolarHBondContact OG-CG2 3.36Å |
| 214 | E | 92.1 | Very high | 85.4 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33 | 179.3 | 68.8 | -151.9 | 115.8 | 0 | 0 | 113 | V216 L270 A272 I303 D305 V306 | E214-V216 PolarHBondContact O-N 2.79Å; E214-L270 HydrophobicContact CB-CB 4.22Å; E214-A272 WeakPolarHBondContact OE2-CB 3.36Å; E214-A272 PolarHBondContact OE2-N 2.85Å; E214-I303 HydrophobicContact CB-CG2 3.58Å; E214-D305 VanDerWaalsContact OE1-C 3.28Å; E214-D305 WeakPolarHBondContact OE1-CA 3.4Å; E214-V306 HydrophobicContact CG-CB 4.11Å; E214-V306 HydrophobicContact CG-CG2 4.05Å; E214-V306 PolarHBondContact OE1-N 2.7Å |
| 215 | S | 89.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 12.4 | 172 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | S213 | S213-S215 VanDerWaalsContact C-N 3.25Å; S213-S215 PolarHBondContact O-N 2.88Å; S213-S215 PolarHBondContact OG-OG 2.77Å; S213-S215 VanDerWaalsContact OG-OG 3.05Å |
| 216 | V | 88.9 | Confident | 88.6 | Confident | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 123.9 | 175.3 | 163.3 | 0 | 0 | 0 | 0 | 109.7 | V212 S213 E214 Y220 I266 | V212-V216 HydrophobicContact CG1-CB 4.37Å; V212-V216 HydrophobicContact CG1-CG2 4.16Å; S213-V216 WeakPolarHBondContact O-CB 2.97Å; S213-V216 WeakPolarHBondContact O-CG2 3.35Å; S213-V216 PolarHBondContact O-N 2.88Å; E214-V216 PolarHBondContact O-N 2.79Å; V216-Y220 HydrophobicContact CG1-CD1 3.5Å; V216-Y220 VanDerWaalsContact CG1-CD1 3.5Å; V216-Y220 HydrophobicContact CG1-CD2 4.38Å; V216-Y220 HydrophobicContact CG1-CE1 4.37Å; V216-Y220 HydrophobicContact CG1-CG 3.5Å; V216-Y220 HydrophobicContact CG2-CD1 4.19Å; V216-Y220 HydrophobicContact CG2-CE1 4.28Å; V216-I266 HydrophobicContact CG1-CB 4.37Å; V216-I266 HydrophobicContact CG1-CG1 4.13Å; V216-I266 HydrophobicContact CG1-CG2 4.48Å |
| 217 | S | 86.4 | Confident | 89.3 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 67% | 0.671 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -68 | 143.1 | 176 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | G219 Y220 | S217-G219 PolarHBondContact O-N 2.9Å; S217-Y220 WeakPolarHBondContact O-CB 3.29Å; S217-Y220 PolarHBondContact O-N 2.9Å |
| 218 | S | 85.9 | Confident | 89.6 | Confident | 74 Ų | 74 | 56 Ų | 56 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 135.9 | 168.6 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | L267 | S218-L267 WeakPolarHBondContact CB-O 3.49Å; S218-L267 PolarHBondContact OG-O 2.8Å |
| 219 | G | 87.8 | Confident | 89.5 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -2.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S217 E221 I266 | S217-G219 PolarHBondContact O-N 2.9Å; G219-E221 PolarHBondContact O-N 3.04Å; G219-I266 PolarHBondContact N-O 2.8Å |
| 220 | Y | 90.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 53.1 Ų | 53.1 | 52% | 0.518 | 31% | 0.31 | S | S | . | . | trans | -69.5 | 127.5 | 177 | -168.1 | -110.9 | 0 | 0 | 0 | 111.9 | V216 S217 I222 V265 I266 | V216-Y220 HydrophobicContact CG1-CD1 3.5Å; V216-Y220 VanDerWaalsContact CG1-CD1 3.5Å; V216-Y220 HydrophobicContact CG1-CD2 4.38Å; V216-Y220 HydrophobicContact CG1-CE1 4.37Å; V216-Y220 HydrophobicContact CG1-CG 3.5Å; V216-Y220 HydrophobicContact CG2-CD1 4.19Å; V216-Y220 HydrophobicContact CG2-CE1 4.28Å; S217-Y220 WeakPolarHBondContact O-CB 3.29Å; S217-Y220 PolarHBondContact O-N 2.9Å; Y220-I222 HydrophobicContact CD1-CD1 4.01Å; Y220-I222 HydrophobicContact CD1-CG1 3.57Å; Y220-I222 HydrophobicContact CE1-CD1 4.06Å; Y220-I222 HydrophobicContact CE1-CG1 3.64Å; Y220-V265 WeakPolarHBondContact O-CA 3.48Å; Y220-I266 PolarHBondContact O-N 2.84Å | ||
| 221 | E | 90.5 | Very high | 89.2 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.4 | 175.3 | -64.1 | -158.1 | 147.2 | 0 | 0 | 110.6 | G219 S255 R257 N263 L264 V265 | G219-E221 PolarHBondContact O-N 3.04Å; E221-S255 WeakPolarHBondContact OE1-CB 3.24Å; E221-S255 PolarHBondContact OE1-OG 3.01Å; E221-R257 VanDerWaalsContact CD-NH2 3.29Å; E221-R257 IonicContact OE1-NH2 3.42Å; E221-R257 PolarHBondContact OE1-NH2 3.37Å; E221-R257 IonicContact OE2-CZ 3.7Å; E221-R257 IonicContact OE2-NH1 3.08Å; E221-R257 IonicContact OE2-NH2 3.33Å; E221-R257 PolarHBondContact OE2-NH2 2.88Å; E221-N263 HydrophobicContact CB-CB 4.03Å; E221-N263 PolarHBondContact OE2-ND2 2.82Å; E221-L264 CarbonylContact C-O 3.39Å; E221-L264 WeakPolarHBondContact CA-O 3.44Å; E221-V265 HydrophobicContact CG-CG2 4.18Å |
| 222 | I | 89.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.5 | 178.3 | -49.3 | -176.7 | 0 | 0 | 0 | 108.9 | V210 V212 Y220 L224 N263 L264 I266 | V210-I222 HydrophobicContact CG1-CG2 3.97Å; V212-I222 HydrophobicContact CB-CD1 4.25Å; V212-I222 HydrophobicContact CG1-CD1 3.87Å; V212-I222 HydrophobicContact CG2-CD1 3.49Å; V212-I222 VanDerWaalsContact CG2-CD1 3.49Å; Y220-I222 HydrophobicContact CD1-CD1 4.01Å; Y220-I222 HydrophobicContact CD1-CG1 3.57Å; Y220-I222 HydrophobicContact CE1-CD1 4.06Å; Y220-I222 HydrophobicContact CE1-CG1 3.64Å; I222-L224 PolarHBondContact O-N 2.78Å; I222-N263 CarbonylContact O-C 3.52Å; I222-N263 WeakPolarHBondContact O-CA 3.33Å; I222-L264 HydrophobicContact CB-CB 4.36Å; I222-L264 PolarHBondContact N-O 2.04Å; I222-L264 PolarHBondContact O-N 3.15Å; I222-I266 HydrophobicContact CD1-CD1 4.29Å; I222-I266 HydrophobicContact CD1-CG1 4.34Å |
| 223 | P | 91.2 | Very high | 88.2 | Confident | 99 Ų | 99 | 54 Ų | 54 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 134 | -177.9 | 27.7 | -34.2 | 0 | 0 | 0 | 111.9 | N263 | P223-N263 WeakPolarHBondContact CA-OD1 3.12Å |
| 224 | L | 91.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 155.8 | 176.3 | -58.9 | -174.3 | 0 | 0 | 0 | 111.7 | Y208 V210 I222 I226 L254 L262 L264 L282 F299 | Y208-L224 HydrophobicContact CE1-CB 4.33Å; Y208-L224 HydrophobicContact CE1-CD2 4.3Å; Y208-L224 VanDerWaalsContact OH-CA 3.27Å; Y208-L224 WeakPolarHBondContact OH-CA 3.35Å; V210-L224 HydrophobicContact CG2-CD2 3.76Å; I222-L224 PolarHBondContact O-N 2.78Å; L224-I226 PolarHBondContact O-N 3.32Å; L224-L254 HydrophobicContact CD1-CD2 3.8Å; L224-L262 WeakPolarHBondContact CA-O 3.33Å; L224-L262 HydrophobicContact CB-CB 4.49Å; L224-L262 HydrophobicContact CB-CD2 4.04Å; L224-L262 HydrophobicContact CB-CG 4.08Å; L224-L262 WeakPolarHBondContact CB-O 3.42Å; L224-L262 HydrophobicContact CD1-CD2 4.17Å; L224-L262 HydrophobicContact CD1-CG 4.21Å; L224-L262 PolarHBondContact N-O 3.29Å; L224-L264 HydrophobicContact CD1-CB 4.11Å; L224-L264 HydrophobicContact CD2-CB 4.08Å; L224-L264 HydrophobicContact CG-CB 4.15Å; L224-L282 HydrophobicContact CD1-CD2 4.22Å; L224-F299 HydrophobicContact CD1-CZ 4.21Å; L224-F299 HydrophobicContact CD2-CE2 4.12Å; L224-F299 HydrophobicContact CD2-CZ 4.02Å |
| 225 | I | 87.1 | Confident | 87.6 | Confident | 71 Ų | 71 | 56 Ų | 56 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 125.1 | 169.4 | -62.4 | 169.3 | 0 | 0 | 0 | 108.6 | F194 L196 Y208 | F194-I225 WeakPolarHBondContact CE1-O 3.26Å; L196-I225 HydrophobicContact CD2-CD1 3.85Å; Y208-I225 HydrophobicContact CE1-CB 4.21Å; Y208-I225 HydrophobicContact CE2-CD1 4.05Å; Y208-I225 HydrophobicContact CE2-CG1 4.44Å; Y208-I225 PolarHBondContact OH-N 3.28Å |
| 226 | I | 89.2 | Confident | 87.5 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 140.8 | 176.2 | -48.9 | 179.8 | 0 | 0 | 0 | 108.5 | L224 Y240 Y260 L262 | L224-I226 PolarHBondContact O-N 3.32Å; I226-Y240 WeakPolarHBondContact CG2-OH 3.47Å; I226-Y260 VanDerWaalsContact CD1-C 3.47Å; I226-Y260 WeakPolarHBondContact CD1-O 3.23Å; I226-L262 HydrophobicContact CG1-CB 4.17Å |
| 227 | A | 88.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 157.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y193 F194 I237 Y240 A284 | Y193-A227 CarbonylContact O-C 3.59Å; Y193-A227 VanDerWaalsContact O-CA 3.26Å; Y193-A227 WeakPolarHBondContact O-CA 3.2Å; Y193-A227 WeakPolarHBondContact O-CB 3.18Å; F194-A227 HydrophobicContact CD1-CB 4.08Å; F194-A227 HydrophobicContact CD2-CB 4.13Å; F194-A227 HydrophobicContact CE1-CB 3.96Å; F194-A227 HydrophobicContact CE2-CB 4.02Å; F194-A227 HydrophobicContact CG-CB 4.18Å; F194-A227 HydrophobicContact CZ-CB 3.94Å; A227-I237 VanDerWaalsContact C-CD1 3.42Å; A227-I237 HydrophobicContact CB-CD1 3.68Å; A227-I237 WeakPolarHBondContact O-CD1 3.25Å; A227-Y240 HydrophobicContact CB-CE1 4.02Å; A227-Y240 WeakPolarHBondContact CB-OH 3.42Å; A227-Y240 PolarHBondContact N-OH 3.32Å; A227-A284 HydrophobicContact CB-CB 3.65Å |
| 228 | K | 87.5 | Confident | 87.5 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -110.7 | 153.3 | 173.5 | -73.2 | -177.1 | 172.8 | -178.3 | 0 | 110.3 | P192 Y193 | P192-K228 CarbonylContact C-O 3.38Å; P192-K228 WeakPolarHBondContact CA-O 3.43Å; Y193-K228 HydrophobicContact CD1-CB 4.38Å; Y193-K228 VanDerWaalsContact CD1-O 3.29Å; Y193-K228 WeakPolarHBondContact CD1-O 3.21Å; Y193-K228 HydrophobicContact CD2-CB 4.46Å; Y193-K228 HydrophobicContact CE1-CB 3.81Å; Y193-K228 HydrophobicContact CE2-CB 3.89Å; Y193-K228 HydrophobicContact CE2-CD 4.3Å; Y193-K228 PolarHBondContact N-O 3.21Å; Y193-K228 PolarHBondContact O-N 3.04Å |
| 229 | D | 88.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | trans | -156.2 | 120.4 | -175 | -168 | -10.4 | 0 | 0 | 0 | 108.9 | K116 D231 S236 I237 | K116-D229 PolarHBondContact NZ-O 2.88Å; D229-D231 PolarHBondContact OD1-N 2.8Å; D229-S236 VanDerWaalsContact OD2-C 3.31Å; D229-S236 VanDerWaalsContact OD2-CA 3.23Å; D229-S236 WeakPolarHBondContact OD2-CA 3Å; D229-I237 HydrophobicContact CB-CD1 3.65Å; D229-I237 HydrophobicContact CB-CG1 3.72Å; D229-I237 PolarHBondContact OD2-N 3.11Å | ||
| 230 | P | 85.9 | Confident | 88 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | trans | -67.9 | -35.8 | -179.5 | -24.4 | 37.1 | 0 | 0 | 0 | 114.7 | E111 K116 H190 | E111-P230 HydrophobicContact CG-CB 3.44Å; E111-P230 VanDerWaalsContact CG-CB 3.44Å; K116-P230 WeakPolarHBondContact CE-O 3.48Å; K116-P230 PolarHBondContact NZ-O 2.88Å; K116-P230 VanDerWaalsContact NZ-O 3.13Å; H190-P230 HydrophobicContact CB-CB 4.17Å; H190-P230 HydrophobicContact CB-CG 3.84Å | ||
| 231 | D | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -62.9 | 160.6 | -171.8 | -59.4 | -2.2 | 0 | 0 | 0 | 112.9 | K116 N188 D189 H190 D229 N235 S236 | K116-D231 VanDerWaalsContact CE-O 3.28Å; K116-D231 WeakPolarHBondContact CE-O 3.4Å; K116-D231 PolarHBondContact NZ-O 3.37Å; N188-D231 WeakPolarHBondContact CA-OD2 3.17Å; N188-D231 PolarHBondContact ND2-OD2 2.99Å; N188-D231 VanDerWaalsContact ND2-OD2 3.1Å; D189-D231 PolarHBondContact N-OD2 3.22Å; H190-D231 WeakPolarHBondContact CB-OD1 3.28Å; H190-D231 IonicContact CG-OD1 3.54Å; H190-D231 PolarHBondContact N-OD1 3.49Å; H190-D231 PolarHBondContact N-OD2 3.23Å; H190-D231 IonicContact ND1-OD1 2.73Å; H190-D231 PolarHBondContact ND1-OD1 3.34Å; D229-D231 PolarHBondContact OD1-N 2.8Å; D231-N235 HydrophobicContact CB-CB 3.71Å; D231-N235 WeakPolarHBondContact CB-O 3.23Å; D231-S236 VanDerWaalsContact O-CB 3.3Å; D231-S236 WeakPolarHBondContact O-CB 3.43Å |
| 232 | K | 81.3 | Confident | 88.2 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | trans | -107 | 144.5 | -172.1 | -169.8 | 172.2 | -179 | 176.9 | 0 | 114 | K162 D186 I234 N235 | K162-K232 PolarHBondContact O-NZ 3.39Å; D186-K232 HydrophobicContact CB-CB 4.49Å; D186-K232 VanDerWaalsContact OD1-CB 3.25Å; D186-K232 WeakPolarHBondContact OD1-CB 3.25Å; D186-K232 PolarHBondContact OD1-N 3.35Å; D186-K232 PolarHBondContact OD2-N 3.13Å; K232-I234 PolarHBondContact O-N 3.07Å; K232-N235 PolarHBondContact O-N 3.23Å | ||
| 233 | G | 80.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | 66.1 | -122.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N235 S236 Q238 | G233-N235 PolarHBondContact O-N 3.27Å; G233-S236 PolarHBondContact O-N 3.39Å; G233-S236 VanDerWaalsContact O-N 3.12Å; G233-S236 PolarHBondContact O-OG 3.49Å; G233-Q238 PolarHBondContact O-NE2 3.37Å; G233-Q238 VanDerWaalsContact O-NE2 3.1Å |
| 234 | I | 84.8 | Confident | 88.1 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.6 | -26.5 | -179.5 | -164.7 | 171.1 | 0 | 0 | 0 | 113 | K232 S236 G287 Q289 | K232-I234 PolarHBondContact O-N 3.07Å; I234-S236 PolarHBondContact O-N 2.93Å; I234-G287 CarbonylContact O-C 3.15Å; I234-G287 WeakPolarHBondContact O-CA 3.33Å; I234-G287 PolarHBondContact O-N 2.78Å; I234-Q289 HydrophobicContact CG2-CG 4.32Å |
| 235 | N | 86.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -79.7 | -6.9 | 177.6 | -62.6 | -21.4 | 0 | 0 | 0 | 112.4 | D186 N188 D231 K232 G233 D286 | D186-N235 WeakPolarHBondContact OD2-CB 3.46Å; D186-N235 PolarHBondContact OD2-ND2 2.87Å; N188-N235 HydrophobicContact CB-CB 3.89Å; N188-N235 PolarHBondContact N-ND2 3.06Å; N188-N235 PolarHBondContact ND2-O 3.02Å; D231-N235 HydrophobicContact CB-CB 3.71Å; D231-N235 WeakPolarHBondContact CB-O 3.23Å; K232-N235 PolarHBondContact O-N 3.23Å; G233-N235 PolarHBondContact O-N 3.27Å; N235-D286 VanDerWaalsContact O-CB 3.23Å; N235-D286 WeakPolarHBondContact O-CB 3.41Å |
| 236 | S | 86.6 | Confident | 88 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -87.1 | 162 | 168.7 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | D229 D231 G233 I234 Q238 | D229-S236 VanDerWaalsContact OD2-C 3.31Å; D229-S236 VanDerWaalsContact OD2-CA 3.23Å; D229-S236 WeakPolarHBondContact OD2-CA 3Å; D231-S236 VanDerWaalsContact O-CB 3.3Å; D231-S236 WeakPolarHBondContact O-CB 3.43Å; G233-S236 PolarHBondContact O-N 3.39Å; G233-S236 VanDerWaalsContact O-N 3.12Å; G233-S236 PolarHBondContact O-OG 3.49Å; I234-S236 PolarHBondContact O-N 2.93Å; S236-Q238 WeakPolarHBondContact O-CG 3.13Å; S236-Q238 PolarHBondContact O-N 2.78Å; S236-Q238 VanDerWaalsContact O-N 3.11Å; S236-Q238 PolarHBondContact O-NE2 3.09Å |
| 237 | I | 89 | Confident | 88 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | trans | -38.1 | 111.8 | 176 | -63.9 | 152.3 | 0 | 0 | 0 | 114.1 | P192 A227 D229 Y240 C285 | P192-I237 HydrophobicContact CB-CD1 4.25Å; P192-I237 HydrophobicContact CB-CG1 3.8Å; P192-I237 HydrophobicContact CG-CG1 3.73Å; A227-I237 VanDerWaalsContact C-CD1 3.42Å; A227-I237 HydrophobicContact CB-CD1 3.68Å; A227-I237 WeakPolarHBondContact O-CD1 3.25Å; D229-I237 HydrophobicContact CB-CD1 3.65Å; D229-I237 HydrophobicContact CB-CG1 3.72Å; D229-I237 PolarHBondContact OD2-N 3.11Å; I237-Y240 HydrophobicContact CG2-CD2 4.27Å; I237-Y240 HydrophobicContact CG2-CE2 3.5Å; I237-Y240 VanDerWaalsContact CG2-CE2 3.5Å; I237-C285 WeakPolarHBondContact CA-O 3.4Å | ||
| 238 | Q | 87.9 | Confident | 87.9 | Confident | 97 Ų | 97 | 57 Ų | 57 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | trans | -101 | -26.8 | 174.8 | -61.5 | -54 | -60.9 | 0 | 0 | 113 | G233 S236 C285 | G233-Q238 PolarHBondContact O-NE2 3.37Å; G233-Q238 VanDerWaalsContact O-NE2 3.1Å; S236-Q238 WeakPolarHBondContact O-CG 3.13Å; S236-Q238 PolarHBondContact O-N 2.78Å; S236-Q238 VanDerWaalsContact O-N 3.11Å; S236-Q238 PolarHBondContact O-NE2 3.09Å; Q238-C285 PolarHBondContact N-O 2.88Å | ||
| 239 | S | 89.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.7 | -171.1 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | C285 | S239-C285 PolarHBondContact N-O 3.01Å; S239-C285 VanDerWaalsContact N-O 3.09Å; S239-C285 PolarHBondContact O-N 2.8Å |
| 240 | Y | 93.6 | Very high | 87.7 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.5 | 170.8 | -68.9 | -92.9 | 0 | 0 | 0 | 110.4 | F194 I226 A227 I237 Y256 L262 I283 A284 | F194-Y240 HydrophobicContact CE1-CE1 4Å; F194-Y240 HydrophobicContact CZ-CD1 4.11Å; F194-Y240 AromaticContact CZ-CE1 3.73Å; F194-Y240 HydrophobicContact CZ-CE1 3.73Å; I226-Y240 WeakPolarHBondContact CG2-OH 3.47Å; A227-Y240 HydrophobicContact CB-CE1 4.02Å; A227-Y240 WeakPolarHBondContact CB-OH 3.42Å; A227-Y240 PolarHBondContact N-OH 3.32Å; I237-Y240 HydrophobicContact CG2-CD2 4.27Å; I237-Y240 HydrophobicContact CG2-CE2 3.5Å; I237-Y240 VanDerWaalsContact CG2-CE2 3.5Å; Y240-Y256 AromaticContact CD2-CD1 3.72Å; Y240-Y256 HydrophobicContact CD2-CD1 3.72Å; Y240-Y256 AromaticContact CD2-CD2 3.81Å; Y240-Y256 HydrophobicContact CD2-CD2 3.81Å; Y240-Y256 AromaticContact CD2-CE1 3.85Å; Y240-Y256 HydrophobicContact CD2-CE1 3.85Å; Y240-Y256 AromaticContact CD2-CE2 3.99Å; Y240-Y256 HydrophobicContact CD2-CE2 3.99Å; Y240-Y256 AromaticContact CD2-CG 3.71Å; Y240-Y256 HydrophobicContact CD2-CG 3.71Å; Y240-Y256 HydrophobicContact CE2-CD1 4.18Å; Y240-Y256 AromaticContact CE2-CD2 3.81Å; Y240-Y256 HydrophobicContact CE2-CD2 3.81Å; Y240-Y256 AromaticContact CE2-CE1 3.89Å; Y240-Y256 HydrophobicContact CE2-CE1 3.89Å; Y240-Y256 AromaticContact CE2-CE2 3.54Å; Y240-Y256 HydrophobicContact CE2-CE2 3.54Å; Y240-Y256 HydrophobicContact CE2-CG 4.15Å; Y240-Y256 AromaticContact CE2-CZ 3.59Å; Y240-L262 HydrophobicContact CD1-CD1 4.3Å; Y240-L262 HydrophobicContact CD1-CD2 3.51Å; Y240-L262 HydrophobicContact CD2-CD1 3.92Å; Y240-L262 HydrophobicContact CD2-CD2 4.3Å; Y240-L262 HydrophobicContact CE1-CD2 3.65Å; Y240-L262 HydrophobicContact CE2-CD2 4.44Å; Y240-L262 HydrophobicContact CG-CD1 3.76Å; Y240-L262 HydrophobicContact CG-CD2 3.84Å; Y240-L262 HydrophobicContact CG-CG 4.42Å; Y240-I283 CarbonylContact C-O 3.26Å; Y240-I283 VanDerWaalsContact CA-O 3.23Å; Y240-I283 WeakPolarHBondContact CA-O 3.43Å; Y240-A284 HydrophobicContact CD1-CB 3.82Å; Y240-A284 HydrophobicContact CE1-CB 3.51Å |
| 241 | S | 92.4 | Very high | 87.9 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.5 | 173 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | I283 | S241-I283 PolarHBondContact N-O 3.28Å; S241-I283 PolarHBondContact O-N 3.45Å |
| 242 | L | 93.2 | Very high | 88.1 | Confident | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 141.8 | 166.5 | -66.8 | 173 | 0 | 0 | 0 | 109.4 | F247 F252 L254 L264 L282 F299 | L242-F247 HydrophobicContact CB-CB 3.94Å; L242-F247 HydrophobicContact CB-CD2 4.21Å; L242-F247 HydrophobicContact CB-CG 4.14Å; L242-F247 HydrophobicContact CD1-CB 4.31Å; L242-F247 HydrophobicContact CD1-CD1 4.25Å; L242-F247 HydrophobicContact CD1-CG 4.21Å; L242-F247 HydrophobicContact CD2-CD2 4.38Å; L242-F252 HydrophobicContact CD1-CB 4.04Å; L242-L254 HydrophobicContact CD1-CD2 4.17Å; L242-L254 HydrophobicContact CD1-CG 4.18Å; L242-L254 HydrophobicContact CD2-CD1 4.39Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å; L242-L254 HydrophobicContact CG-CD1 3.95Å; L242-L254 HydrophobicContact CG-CD2 4.06Å; L242-L254 HydrophobicContact CG-CG 3.87Å; L242-L264 HydrophobicContact CD1-CD1 3.78Å; L242-L282 HydrophobicContact CD2-CB 4.44Å; L242-L282 HydrophobicContact CD2-CD1 3.94Å; L242-F299 HydrophobicContact CD2-CD1 3.56Å; L242-F299 HydrophobicContact CD2-CE1 3.69Å |
| 243 | R | 91 | Very high | 88.7 | Confident | 146 Ų | 146 | 59.1 Ų | 59.1 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 123.8 | 178.1 | -176.9 | -178.6 | -178.8 | -135.9 | 11 | 110.9 | G280 E281 I283 | R243-G280 CarbonylContact O-C 3.59Å; R243-G280 WeakPolarHBondContact O-CA 3.27Å; R243-E281 HydrophobicContact CB-CB 4.41Å; R243-E281 WeakPolarHBondContact CD-OE2 3.23Å; R243-E281 IonicContact CZ-OE2 2.76Å; R243-E281 PolarHBondContact N-O 2.98Å; R243-E281 IonicContact NE-OE2 3.67Å; R243-E281 IonicContact NH1-OE2 2.67Å; R243-E281 PolarHBondContact NH1-OE2 2.82Å; R243-E281 PolarHBondContact O-N 2.88Å; R243-I283 HydrophobicContact CB-CD1 3.82Å; R243-I283 HydrophobicContact CB-CG1 4.49Å; R243-I283 HydrophobicContact CG-CD1 4.38Å |
| 244 | G | 87.9 | Confident | 89.3 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 160.9 | 158.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D246 F247 | G244-D246 PolarHBondContact O-N 2.84Å; G244-F247 PolarHBondContact O-N 2.83Å |
| 245 | N | 86.8 | Confident | 89.6 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 84% | 0.84 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.3 | -21.7 | 178.7 | -64.8 | -10.7 | 0 | 0 | 0 | 112.3 | ||
| 246 | D | 88.4 | Confident | 89.7 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -83.1 | -32.7 | -178.4 | -65.5 | -15.4 | 0 | 0 | 0 | 112.5 | G244 Q248 K275 Y278 T279 | G244-D246 PolarHBondContact O-N 2.84Å; D246-Q248 VanDerWaalsContact C-N 3.25Å; D246-Q248 PolarHBondContact O-N 2.86Å; D246-K275 IonicContact OD1-NZ 3.71Å; D246-K275 PolarHBondContact OD1-NZ 2.84Å; D246-K275 IonicContact OD2-NZ 3.91Å; D246-Y278 HydrophobicContact CB-CD1 3.98Å; D246-Y278 HydrophobicContact CB-CG 4.44Å; D246-T279 PolarHBondContact OD2-N 2.78Å; D246-T279 PolarHBondContact OD2-OG1 2.91Å |
| 247 | F | 89.5 | Confident | 89.7 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | trans | -83.7 | 66.2 | -178.4 | -62.8 | -50.8 | 0 | 0 | 0 | 111.9 | L242 G244 F252 F299 V301 | L242-F247 HydrophobicContact CB-CB 3.94Å; L242-F247 HydrophobicContact CB-CD2 4.21Å; L242-F247 HydrophobicContact CB-CG 4.14Å; L242-F247 HydrophobicContact CD1-CB 4.31Å; L242-F247 HydrophobicContact CD1-CD1 4.25Å; L242-F247 HydrophobicContact CD1-CG 4.21Å; L242-F247 HydrophobicContact CD2-CD2 4.38Å; G244-F247 PolarHBondContact O-N 2.83Å; F247-F252 HydrophobicContact CD1-CB 4.37Å; F247-F252 AromaticContact CD1-CD2 3.81Å; F247-F252 HydrophobicContact CD1-CD2 3.81Å; F247-F252 HydrophobicContact CD1-CE2 4.33Å; F247-F252 HydrophobicContact CD1-CG 4.1Å; F247-F252 HydrophobicContact CE1-CD2 4.49Å; F247-F299 HydrophobicContact CE1-CD1 4.23Å; F247-F299 HydrophobicContact CE1-CE1 4.3Å; F247-F299 AromaticContact CE2-CD1 3.79Å; F247-F299 HydrophobicContact CE2-CD1 3.79Å; F247-F299 AromaticContact CZ-CD1 3.5Å; F247-F299 HydrophobicContact CZ-CD1 3.5Å; F247-F299 HydrophobicContact CZ-CE1 4.01Å; F247-F299 HydrophobicContact CZ-CG 4.49Å; F247-V301 HydrophobicContact CE1-CB 4.21Å; F247-V301 HydrophobicContact CE1-CG2 3.65Å; F247-V301 HydrophobicContact CZ-CG2 4.05Å | ||
| 248 | Q | 86.2 | Confident | 89.1 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | trans | -70.6 | 138.4 | 173.1 | -58.2 | -176.4 | 17.8 | 0 | 0 | 110.7 | D246 T250 L251 F252 | D246-Q248 VanDerWaalsContact C-N 3.25Å; D246-Q248 PolarHBondContact O-N 2.86Å; Q248-T250 WeakPolarHBondContact CB-OG1 2.96Å; Q248-T250 PolarHBondContact O-N 3.24Å; Q248-L251 PolarHBondContact O-N 2.88Å; Q248-F252 PolarHBondContact O-N 2.97Å | ||
| 249 | S | 84.9 | Confident | 88.1 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -3.3 | 179 | 54 | 0 | 0 | 0 | 0 | 114.8 | L267 | S249-L267 WeakPolarHBondContact O-CD1 3.39Š|
| 250 | T | 87.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25 | 169.1 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | Q248 L267 G268 | Q248-T250 WeakPolarHBondContact CB-OG1 2.96Å; Q248-T250 PolarHBondContact O-N 3.24Å; T250-L267 CarbonylContact O-C 3.31Å; T250-G268 PolarHBondContact O-N 2.83Å |
| 251 | L | 89.9 | Confident | 87 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -39.4 | -176 | -60.4 | -179.7 | 0 | 0 | 0 | 112.4 | Q248 L267 Y278 | Q248-L251 PolarHBondContact O-N 2.88Å; L251-L267 PolarHBondContact O-N 2.74Å; L251-Y278 HydrophobicContact CD1-CE1 3.66Å |
| 252 | F | 93.1 | Very high | 87 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.3 | -172.3 | -56.4 | -78.1 | 0 | 0 | 0 | 112.5 | L242 F247 Q248 L264 V265 I266 L270 Y278 V301 | L242-F252 HydrophobicContact CD1-CB 4.04Å; F247-F252 HydrophobicContact CD1-CB 4.37Å; F247-F252 AromaticContact CD1-CD2 3.81Å; F247-F252 HydrophobicContact CD1-CD2 3.81Å; F247-F252 HydrophobicContact CD1-CE2 4.33Å; F247-F252 HydrophobicContact CD1-CG 4.1Å; F247-F252 HydrophobicContact CE1-CD2 4.49Å; Q248-F252 PolarHBondContact O-N 2.97Å; F252-L264 HydrophobicContact CB-CD1 4.23Å; F252-L264 HydrophobicContact CD1-CD1 4.14Å; F252-L264 HydrophobicContact CD1-CD2 4.32Å; F252-L264 HydrophobicContact CD1-CG 4.44Å; F252-V265 WeakPolarHBondContact CA-O 3.42Å; F252-I266 HydrophobicContact CD1-CD1 3.83Å; F252-I266 HydrophobicContact CE1-CD1 3.75Å; F252-L270 HydrophobicContact CE1-CD2 4.29Å; F252-L270 HydrophobicContact CZ-CD2 3.89Å; F252-Y278 AromaticContact CE2-CD1 3.55Å; F252-Y278 HydrophobicContact CE2-CD1 3.55Å; F252-Y278 HydrophobicContact CE2-CD2 4.15Å; F252-Y278 AromaticContact CE2-CE1 3.85Å; F252-Y278 HydrophobicContact CE2-CE1 3.85Å; F252-Y278 HydrophobicContact CE2-CE2 4.4Å; F252-Y278 AromaticContact CE2-CG 3.72Å; F252-Y278 HydrophobicContact CE2-CG 3.72Å; F252-Y278 HydrophobicContact CZ-CD1 4.14Å; F252-Y278 AromaticContact CZ-CD2 3.88Å; F252-Y278 HydrophobicContact CZ-CD2 3.88Å; F252-Y278 HydrophobicContact CZ-CE1 4.37Å; F252-Y278 HydrophobicContact CZ-CE2 4.12Å; F252-Y278 AromaticContact CZ-CG 3.89Å; F252-Y278 HydrophobicContact CZ-CG 3.89Å; F252-V301 HydrophobicContact CE1-CB 4.44Å; F252-V301 HydrophobicContact CE1-CG1 3.92Å; F252-V301 HydrophobicContact CZ-CG1 4.31Å |
| 253 | S | 92.4 | Very high | 87 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 170.3 | 171.7 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | V265 | S253-V265 PolarHBondContact N-O 2.92Å; S253-V265 PolarHBondContact O-N 2.92Å |
| 254 | L | 93 | Very high | 87.1 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.1 | 174 | -64.8 | 179.4 | 0 | 0 | 0 | 111.2 | L224 L242 L262 N263 L264 L282 | L224-L254 HydrophobicContact CD1-CD2 3.8Å; L242-L254 HydrophobicContact CD1-CD2 4.17Å; L242-L254 HydrophobicContact CD1-CG 4.18Å; L242-L254 HydrophobicContact CD2-CD1 4.39Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å; L242-L254 HydrophobicContact CG-CD1 3.95Å; L242-L254 HydrophobicContact CG-CD2 4.06Å; L242-L254 HydrophobicContact CG-CG 3.87Å; L254-L262 HydrophobicContact CB-CD1 4.33Å; L254-L262 HydrophobicContact CD1-CD1 4.41Å; L254-L262 HydrophobicContact CD2-CD1 4.46Å; L254-N263 WeakPolarHBondContact CA-O 3.45Å; L254-L264 HydrophobicContact CD2-CD1 4.23Å; L254-L282 HydrophobicContact CD1-CD1 3.67Å; L254-L282 HydrophobicContact CD2-CD1 4.37Å |
| 255 | S | 90.7 | Very high | 87.3 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 94.5 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | E221 R257 N263 | E221-S255 WeakPolarHBondContact OE1-CB 3.24Å; E221-S255 PolarHBondContact OE1-OG 3.01Å; S255-R257 PolarHBondContact OG-NH2 2.75Å; S255-N263 PolarHBondContact N-O 3.21Å; S255-N263 PolarHBondContact O-N 2.81Å |
| 256 | Y | 89.4 | Confident | 87.6 | Confident | 57 Ų | 57 | 53 Ų | 53 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.9 | 178.4 | 179.9 | -138.9 | 0 | 0 | 0 | 110.3 | Y240 P258 S261 L262 | Y240-Y256 AromaticContact CD2-CD1 3.72Å; Y240-Y256 HydrophobicContact CD2-CD1 3.72Å; Y240-Y256 AromaticContact CD2-CD2 3.81Å; Y240-Y256 HydrophobicContact CD2-CD2 3.81Å; Y240-Y256 AromaticContact CD2-CE1 3.85Å; Y240-Y256 HydrophobicContact CD2-CE1 3.85Å; Y240-Y256 AromaticContact CD2-CE2 3.99Å; Y240-Y256 HydrophobicContact CD2-CE2 3.99Å; Y240-Y256 AromaticContact CD2-CG 3.71Å; Y240-Y256 HydrophobicContact CD2-CG 3.71Å; Y240-Y256 HydrophobicContact CE2-CD1 4.18Å; Y240-Y256 AromaticContact CE2-CD2 3.81Å; Y240-Y256 HydrophobicContact CE2-CD2 3.81Å; Y240-Y256 AromaticContact CE2-CE1 3.89Å; Y240-Y256 HydrophobicContact CE2-CE1 3.89Å; Y240-Y256 AromaticContact CE2-CE2 3.54Å; Y240-Y256 HydrophobicContact CE2-CE2 3.54Å; Y240-Y256 HydrophobicContact CE2-CG 4.15Å; Y240-Y256 AromaticContact CE2-CZ 3.59Å; Y256-P258 HydrophobicContact CD1-CG 4.01Å; Y256-P258 HydrophobicContact CE1-CB 4.14Å; Y256-P258 HydrophobicContact CE1-CG 3.6Å; Y256-P258 HydrophobicContact CE2-CB 4.34Å; Y256-P258 HydrophobicContact CE2-CG 4.35Å; Y256-S261 WeakPolarHBondContact CD2-O 3.34Å; Y256-L262 HydrophobicContact CD2-CB 4.38Å; Y256-L262 HydrophobicContact CD2-CD1 4.38Å; Y256-L262 HydrophobicContact CG-CD1 4.43Å |
| 257 | R | 86.2 | Confident | 87.7 | Confident | 128 Ų | 128 | 55 Ų | 55 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 95.4 | 175.1 | -50.9 | 178.6 | -169.4 | 130.9 | 11 | 107.1 | E221 S255 Y260 S261 | E221-R257 VanDerWaalsContact CD-NH2 3.29Å; E221-R257 IonicContact OE1-NH2 3.42Å; E221-R257 PolarHBondContact OE1-NH2 3.37Å; E221-R257 IonicContact OE2-CZ 3.7Å; E221-R257 IonicContact OE2-NH1 3.08Å; E221-R257 IonicContact OE2-NH2 3.33Å; E221-R257 PolarHBondContact OE2-NH2 2.88Å; S255-R257 PolarHBondContact OG-NH2 2.75Å; R257-Y260 PolarHBondContact O-N 2.68Å; R257-S261 WeakPolarHBondContact CB-OG 3.4Å; R257-S261 PolarHBondContact N-O 2.86Å; R257-S261 PolarHBondContact O-N 3.42Å; R257-S261 VanDerWaalsContact O-N 3.13Å |
| 258 | P | 76.4 | Confident | 87.5 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 59% | 0.591 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 147.7 | -175 | -15.9 | 24 | 0 | 0 | 0 | 112.7 | Y256 Y260 | Y256-P258 HydrophobicContact CD1-CG 4.01Å; Y256-P258 HydrophobicContact CE1-CB 4.14Å; Y256-P258 HydrophobicContact CE1-CG 3.6Å; Y256-P258 HydrophobicContact CE2-CB 4.34Å; Y256-P258 HydrophobicContact CE2-CG 4.35Å; P258-Y260 VanDerWaalsContact C-N 3.35Å |
| 259 | P | 68 | Low | 87.5 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.5 | -3.2 | -17.6 | 34.3 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 260 | Y | 75.8 | Confident | 87.8 | Confident | 198 Ų | 198 | 53.4 Ų | 53.4 | 78% | 0.776 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -18.7 | -155.4 | -54.7 | -63.3 | 0 | 0 | 0 | 117.9 | I226 R257 P258 | I226-Y260 VanDerWaalsContact CD1-C 3.47Å; I226-Y260 WeakPolarHBondContact CD1-O 3.23Å; R257-Y260 PolarHBondContact O-N 2.68Å; P258-Y260 VanDerWaalsContact C-N 3.35Å |
| 261 | S | 85 | Confident | 88 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 134.7 | -178 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | Y256 R257 | Y256-S261 WeakPolarHBondContact CD2-O 3.34Å; R257-S261 WeakPolarHBondContact CB-OG 3.4Å; R257-S261 PolarHBondContact N-O 2.86Å; R257-S261 PolarHBondContact O-N 3.42Å; R257-S261 VanDerWaalsContact O-N 3.13Å |
| 262 | L | 92.5 | Very high | 88 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.3 | 166.7 | 175.8 | 68.5 | 0 | 0 | 0 | 108.3 | L224 I226 Y240 L254 Y256 L282 | L224-L262 WeakPolarHBondContact CA-O 3.33Å; L224-L262 HydrophobicContact CB-CB 4.49Å; L224-L262 HydrophobicContact CB-CD2 4.04Å; L224-L262 HydrophobicContact CB-CG 4.08Å; L224-L262 WeakPolarHBondContact CB-O 3.42Å; L224-L262 HydrophobicContact CD1-CD2 4.17Å; L224-L262 HydrophobicContact CD1-CG 4.21Å; L224-L262 PolarHBondContact N-O 3.29Å; I226-L262 HydrophobicContact CG1-CB 4.17Å; Y240-L262 HydrophobicContact CD1-CD1 4.3Å; Y240-L262 HydrophobicContact CD1-CD2 3.51Å; Y240-L262 HydrophobicContact CD2-CD1 3.92Å; Y240-L262 HydrophobicContact CD2-CD2 4.3Å; Y240-L262 HydrophobicContact CE1-CD2 3.65Å; Y240-L262 HydrophobicContact CE2-CD2 4.44Å; Y240-L262 HydrophobicContact CG-CD1 3.76Å; Y240-L262 HydrophobicContact CG-CD2 3.84Å; Y240-L262 HydrophobicContact CG-CG 4.42Å; L254-L262 HydrophobicContact CB-CD1 4.33Å; L254-L262 HydrophobicContact CD1-CD1 4.41Å; L254-L262 HydrophobicContact CD2-CD1 4.46Å; Y256-L262 HydrophobicContact CD2-CB 4.38Å; Y256-L262 HydrophobicContact CD2-CD1 4.38Å; Y256-L262 HydrophobicContact CG-CD1 4.43Å; L262-L282 HydrophobicContact CD2-CD2 4.44Å |
| 263 | N | 92.7 | Very high | 88 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140 | 178.4 | -59.1 | -12.2 | 0 | 0 | 0 | 111.2 | E221 I222 P223 L254 S255 | E221-N263 HydrophobicContact CB-CB 4.03Å; E221-N263 PolarHBondContact OE2-ND2 2.82Å; I222-N263 CarbonylContact O-C 3.52Å; I222-N263 WeakPolarHBondContact O-CA 3.33Å; P223-N263 WeakPolarHBondContact CA-OD1 3.12Å; L254-N263 WeakPolarHBondContact CA-O 3.45Å; S255-N263 PolarHBondContact N-O 3.21Å; S255-N263 PolarHBondContact O-N 2.81Å |
| 264 | L | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.2 | 162.5 | -179.6 | 71.4 | 0 | 0 | 0 | 108.5 | E221 I222 L224 L242 F252 L254 I266 F299 V301 | E221-L264 CarbonylContact C-O 3.39Å; E221-L264 WeakPolarHBondContact CA-O 3.44Å; I222-L264 HydrophobicContact CB-CB 4.36Å; I222-L264 PolarHBondContact N-O 2.04Å; I222-L264 PolarHBondContact O-N 3.15Å; L224-L264 HydrophobicContact CD1-CB 4.11Å; L224-L264 HydrophobicContact CD2-CB 4.08Å; L224-L264 HydrophobicContact CG-CB 4.15Å; L242-L264 HydrophobicContact CD1-CD1 3.78Å; F252-L264 HydrophobicContact CB-CD1 4.23Å; F252-L264 HydrophobicContact CD1-CD1 4.14Å; F252-L264 HydrophobicContact CD1-CD2 4.32Å; F252-L264 HydrophobicContact CD1-CG 4.44Å; L254-L264 HydrophobicContact CD2-CD1 4.23Å; L264-I266 HydrophobicContact CD2-CD1 4.22Å; L264-I266 HydrophobicContact CG-CD1 4.39Å; L264-F299 HydrophobicContact CD1-CE1 4.41Å; L264-F299 HydrophobicContact CD2-CZ 4.37Å; L264-V301 HydrophobicContact CD2-CG1 4.28Å; L264-V301 HydrophobicContact CD2-CG2 3.77Å |
| 265 | V | 92.5 | Very high | 87.7 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.2 | 177.4 | -166.5 | 0 | 0 | 0 | 0 | 109.3 | Y220 E221 F252 S253 L267 | Y220-V265 WeakPolarHBondContact O-CA 3.48Å; E221-V265 HydrophobicContact CG-CG2 4.18Å; F252-V265 WeakPolarHBondContact CA-O 3.42Å; S253-V265 PolarHBondContact N-O 2.92Å; S253-V265 PolarHBondContact O-N 2.92Å; V265-L267 HydrophobicContact CG1-CD2 3.98Å |
| 266 | I | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.9 | 172 | -51 | -51.8 | 0 | 0 | 0 | 108.4 | V212 V216 G219 Y220 I222 F252 L264 G268 L270 | V212-I266 HydrophobicContact CG1-CD1 4.22Å; V212-I266 HydrophobicContact CG1-CG1 4.3Å; V216-I266 HydrophobicContact CG1-CB 4.37Å; V216-I266 HydrophobicContact CG1-CG1 4.13Å; V216-I266 HydrophobicContact CG1-CG2 4.48Å; G219-I266 PolarHBondContact N-O 2.8Å; Y220-I266 PolarHBondContact O-N 2.84Å; I222-I266 HydrophobicContact CD1-CD1 4.29Å; I222-I266 HydrophobicContact CD1-CG1 4.34Å; F252-I266 HydrophobicContact CD1-CD1 3.83Å; F252-I266 HydrophobicContact CE1-CD1 3.75Å; L264-I266 HydrophobicContact CD2-CD1 4.22Å; L264-I266 HydrophobicContact CG-CD1 4.39Å; I266-G268 WeakPolarHBondContact CG2-O 3.31Å; I266-L270 HydrophobicContact CD1-CD1 4.28Å; I266-L270 HydrophobicContact CG1-CD1 4.43Å; I266-L270 HydrophobicContact CG2-CD1 3.69Å; I266-L270 HydrophobicContact CG2-CG 4.04Å |
| 267 | L | 89.1 | Confident | 87.8 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 37% | 0.372 | 31% | 0.309 | S | S | . | . | trans | -111.3 | -29.8 | -175.7 | -66.8 | -176.4 | 0 | 0 | 0 | 113.9 | S218 S249 T250 L251 V265 | S218-L267 WeakPolarHBondContact CB-O 3.49Å; S218-L267 PolarHBondContact OG-O 2.8Å; S249-L267 WeakPolarHBondContact O-CD1 3.39Å; T250-L267 CarbonylContact O-C 3.31Å; L251-L267 PolarHBondContact O-N 2.74Å; V265-L267 HydrophobicContact CG1-CD2 3.98Å | ||
| 268 | G | 85.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -106.3 | 175.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T250 I266 | T250-G268 PolarHBondContact O-N 2.83Å; I266-G268 WeakPolarHBondContact CG2-O 3.31Å |
| 269 | E | 86.4 | Confident | 88.8 | Confident | 181 Ų | 181 | 54.2 Ų | 54.2 | 85% | 0.846 | 28% | 0.28 | S | S | * | . | trans | -71.6 | 147.5 | 163.4 | -68.9 | 165.5 | 165 | 0 | 0 | 109 | ||||
| 270 | L | 90.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | trans | -116.6 | 151.5 | 179.9 | -64.6 | 171 | 0 | 0 | 0 | 108.4 | V212 E214 F252 I266 Y278 I303 | V212-L270 HydrophobicContact CG1-CD1 3.78Å; E214-L270 HydrophobicContact CB-CB 4.22Å; F252-L270 HydrophobicContact CE1-CD2 4.29Å; F252-L270 HydrophobicContact CZ-CD2 3.89Å; I266-L270 HydrophobicContact CD1-CD1 4.28Å; I266-L270 HydrophobicContact CG1-CD1 4.43Å; I266-L270 HydrophobicContact CG2-CD1 3.69Å; I266-L270 HydrophobicContact CG2-CG 4.04Å; L270-Y278 HydrophobicContact CD2-CE2 4.46Å; L270-I303 HydrophobicContact CB-CG2 4.45Å; L270-I303 HydrophobicContact CD1-CD1 4.11Å; L270-I303 HydrophobicContact CD2-CD1 4.19Å | ||
| 271 | D | 91.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | trans | -156.4 | 113.9 | -168.2 | 167.7 | -17.8 | 0 | 0 | 0 | 106.9 | E273 T274 K275 | D271-E273 PolarHBondContact OD1-N 2.87Å; D271-T274 VanDerWaalsContact OD1-CB 3.24Å; D271-T274 WeakPolarHBondContact OD1-CB 3.39Å; D271-T274 PolarHBondContact OD1-N 3Å; D271-T274 PolarHBondContact OD1-OG1 2.89Å; D271-T274 VanDerWaalsContact OD2-CB 3.23Å; D271-T274 WeakPolarHBondContact OD2-CB 3.25Å; D271-T274 PolarHBondContact OD2-OG1 2.71Å; D271-K275 CarbonylContact O-C 3.58Å; D271-K275 PolarHBondContact O-N 2.87Å | ||
| 272 | A | 91.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.3 | -36.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E214 K275 N276 I303 | E214-A272 WeakPolarHBondContact OE2-CB 3.36Å; E214-A272 PolarHBondContact OE2-N 2.85Å; A272-K275 CarbonylContact O-C 3.5Å; A272-K275 PolarHBondContact O-N 3.5Å; A272-N276 HydrophobicContact CB-CB 4.11Å; A272-N276 WeakPolarHBondContact O-CB 3.07Å; A272-N276 PolarHBondContact O-N 2.89Å; A272-I303 HydrophobicContact CB-CG2 4.34Å |
| 273 | E | 91.7 | Very high | 91.2 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.5 | -37.5 | -178.9 | -73.2 | 53.9 | -110 | 0 | 0 | 110.8 | D271 A340 | D271-E273 PolarHBondContact OD1-N 2.87Å; E273-A340 HydrophobicContact CG-CB 3.72Å |
| 274 | T | 90.1 | Very high | 91.1 | Very high | 109 Ų | 109 | 43.6 Ų | 43.6 | 67% | 0.669 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -73.9 | -48.6 | 169.2 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | D271 | D271-T274 VanDerWaalsContact OD1-CB 3.24Å; D271-T274 WeakPolarHBondContact OD1-CB 3.39Å; D271-T274 PolarHBondContact OD1-N 3Å; D271-T274 PolarHBondContact OD1-OG1 2.89Å; D271-T274 VanDerWaalsContact OD2-CB 3.23Å; D271-T274 WeakPolarHBondContact OD2-CB 3.25Å; D271-T274 PolarHBondContact OD2-OG1 2.71Å |
| 275 | K | 89.8 | Confident | 91.1 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -161.7 | 89.8 | 178.7 | -169.3 | 162.9 | 176.9 | 165.8 | 0 | 115.6 | D246 D271 A272 N277 Y278 | D246-K275 IonicContact OD1-NZ 3.71Å; D246-K275 PolarHBondContact OD1-NZ 2.84Å; D246-K275 IonicContact OD2-NZ 3.91Å; D271-K275 CarbonylContact O-C 3.58Å; D271-K275 PolarHBondContact O-N 2.87Å; A272-K275 CarbonylContact O-C 3.5Å; A272-K275 PolarHBondContact O-N 3.5Å; K275-N277 WeakPolarHBondContact CE-O 3.36Å; K275-N277 WeakPolarHBondContact CG-O 3.06Å; K275-N277 PolarHBondContact O-N 2.95Å; K275-Y278 HydrophobicContact CB-CE2 4.34Å; K275-Y278 HydrophobicContact CD-CD1 4.17Å; K275-Y278 HydrophobicContact CD-CE1 3.82Å; K275-Y278 HydrophobicContact CG-CE1 4.24Å; K275-Y278 HydrophobicContact CG-CE2 4.11Å; K275-Y278 WeakPolarHBondContact O-CE2 3.43Å |
| 276 | N | 89.8 | Confident | 91 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -69 | 1.7 | 175.1 | 65.8 | 27.3 | 0 | 0 | 0 | 117.7 | A272 H302 I303 | A272-N276 HydrophobicContact CB-CB 4.11Å; A272-N276 WeakPolarHBondContact O-CB 3.07Å; A272-N276 PolarHBondContact O-N 2.89Å; N276-H302 PolarHBondContact O-ND1 3.06Å; N276-I303 PolarHBondContact O-N 2.88Å |
| 277 | N | 91.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 126 | -172.8 | -165 | 15.5 | 0 | 0 | 0 | 113.7 | K275 Q300 | K275-N277 WeakPolarHBondContact CE-O 3.36Å; K275-N277 WeakPolarHBondContact CG-O 3.06Å; K275-N277 PolarHBondContact O-N 2.95Å; N277-Q300 PolarHBondContact ND2-NE2 2.9Å; N277-Q300 WeakPolarHBondContact OD1-CG 2.92Å; N277-Q300 PolarHBondContact OD1-NE2 2.7Å |
| 278 | Y | 92.2 | Very high | 89.9 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129 | 180 | -62.6 | -100 | 0 | 0 | 0 | 110.5 | D246 L251 F252 L270 K275 Q300 V301 I303 | D246-Y278 HydrophobicContact CB-CD1 3.98Å; D246-Y278 HydrophobicContact CB-CG 4.44Å; L251-Y278 HydrophobicContact CD1-CE1 3.66Å; F252-Y278 AromaticContact CE2-CD1 3.55Å; F252-Y278 HydrophobicContact CE2-CD1 3.55Å; F252-Y278 HydrophobicContact CE2-CD2 4.15Å; F252-Y278 AromaticContact CE2-CE1 3.85Å; F252-Y278 HydrophobicContact CE2-CE1 3.85Å; F252-Y278 HydrophobicContact CE2-CE2 4.4Å; F252-Y278 AromaticContact CE2-CG 3.72Å; F252-Y278 HydrophobicContact CE2-CG 3.72Å; F252-Y278 HydrophobicContact CZ-CD1 4.14Å; F252-Y278 AromaticContact CZ-CD2 3.88Å; F252-Y278 HydrophobicContact CZ-CD2 3.88Å; F252-Y278 HydrophobicContact CZ-CE1 4.37Å; F252-Y278 HydrophobicContact CZ-CE2 4.12Å; F252-Y278 AromaticContact CZ-CG 3.89Å; F252-Y278 HydrophobicContact CZ-CG 3.89Å; L270-Y278 HydrophobicContact CD2-CE2 4.46Å; K275-Y278 HydrophobicContact CB-CE2 4.34Å; K275-Y278 HydrophobicContact CD-CD1 4.17Å; K275-Y278 HydrophobicContact CD-CE1 3.82Å; K275-Y278 HydrophobicContact CG-CE1 4.24Å; K275-Y278 HydrophobicContact CG-CE2 4.11Å; K275-Y278 WeakPolarHBondContact O-CE2 3.43Å; Y278-Q300 CarbonylContact O-C 3.6Å; Y278-Q300 WeakPolarHBondContact O-CA 3.47Å; Y278-V301 PolarHBondContact N-O 2.87Å; Y278-V301 PolarHBondContact O-N 2.71Å; Y278-I303 HydrophobicContact CD2-CD1 3.98Å; Y278-I303 HydrophobicContact CD2-CG1 4.02Å; Y278-I303 HydrophobicContact CE2-CD1 3.89Å; Y278-I303 HydrophobicContact CE2-CG1 3.69Å |
| 279 | T | 92.5 | Very high | 89 | Confident | 66 Ų | 66 | 48 Ų | 48 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.1 | -166.8 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | D246 Q300 | D246-T279 PolarHBondContact OD2-N 2.78Å; D246-T279 PolarHBondContact OD2-OG1 2.91Å; T279-Q300 HydrophobicContact CG2-CG 4.33Å |
| 280 | G | 91.6 | Very high | 88.3 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -144 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R243 F299 | R243-G280 CarbonylContact O-C 3.59Å; R243-G280 WeakPolarHBondContact O-CA 3.27Å; G280-F299 PolarHBondContact N-O 2.64Å; G280-F299 PolarHBondContact O-N 2.67Å |
| 281 | E | 92.1 | Very high | 87.9 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.3 | -179.4 | -53.4 | 179.2 | 115.5 | 0 | 0 | 109.7 | R243 I283 N296 Q297 | R243-E281 HydrophobicContact CB-CB 4.41Å; R243-E281 WeakPolarHBondContact CD-OE2 3.23Å; R243-E281 IonicContact CZ-OE2 2.76Å; R243-E281 PolarHBondContact N-O 2.98Å; R243-E281 IonicContact NE-OE2 3.67Å; R243-E281 IonicContact NH1-OE2 2.67Å; R243-E281 PolarHBondContact NH1-OE2 2.82Å; R243-E281 PolarHBondContact O-N 2.88Å; E281-I283 HydrophobicContact CB-CG1 4.09Å; E281-N296 HydrophobicContact CB-CB 4.31Å; E281-N296 HydrophobicContact CG-CB 4.39Å; E281-N296 VanDerWaalsContact OE1-CB 3.25Å; E281-N296 WeakPolarHBondContact OE1-CB 3.19Å; E281-N296 PolarHBondContact OE1-ND2 2.83Å; E281-N296 PolarHBondContact OE2-ND2 2.95Å; E281-Q297 CarbonylContact C-O 3.5Å; E281-Q297 WeakPolarHBondContact CA-O 3.43Å |
| 282 | L | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.3 | 159.1 | 176.6 | 64.2 | 0 | 0 | 0 | 107.1 | F194 Y208 L224 L242 L254 L262 Q297 F299 | F194-L282 HydrophobicContact CE1-CD2 3.59Å; F194-L282 HydrophobicContact CE1-CG 4.23Å; F194-L282 HydrophobicContact CZ-CD2 3.64Å; F194-L282 HydrophobicContact CZ-CG 3.75Å; Y208-L282 HydrophobicContact CD1-CD2 4.12Å; Y208-L282 HydrophobicContact CE1-CD2 4.18Å; L224-L282 HydrophobicContact CD1-CD2 4.22Å; L242-L282 HydrophobicContact CD2-CB 4.44Å; L242-L282 HydrophobicContact CD2-CD1 3.94Å; L254-L282 HydrophobicContact CD1-CD1 3.67Å; L254-L282 HydrophobicContact CD2-CD1 4.37Å; L262-L282 HydrophobicContact CD2-CD2 4.44Å; L282-Q297 PolarHBondContact N-O 2.82Å; L282-Q297 WeakPolarHBondContact O-CB 3.43Å; L282-Q297 PolarHBondContact O-N 3.04Å; L282-F299 HydrophobicContact CB-CB 3.74Å; L282-F299 HydrophobicContact CB-CD1 4.41Å; L282-F299 HydrophobicContact CB-CD2 4.24Å; L282-F299 HydrophobicContact CB-CG 3.9Å; L282-F299 HydrophobicContact CD2-CD2 4.42Å |
| 283 | I | 93.2 | Very high | 87.7 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.4 | -175.5 | -55 | -179 | 0 | 0 | 0 | 108.6 | Y240 S241 R243 E281 C294 F295 N296 | Y240-I283 CarbonylContact C-O 3.26Å; Y240-I283 VanDerWaalsContact CA-O 3.23Å; Y240-I283 WeakPolarHBondContact CA-O 3.43Å; S241-I283 PolarHBondContact N-O 3.28Å; S241-I283 PolarHBondContact O-N 3.45Å; R243-I283 HydrophobicContact CB-CD1 3.82Å; R243-I283 HydrophobicContact CB-CG1 4.49Å; R243-I283 HydrophobicContact CG-CD1 4.38Å; E281-I283 HydrophobicContact CB-CG1 4.09Å; I283-C294 HydrophobicContact CG2-CB 3.91Å; I283-F295 WeakPolarHBondContact CA-O 3.33Å; I283-N296 HydrophobicContact CG1-CB 4.33Å |
| 284 | A | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | P192 F194 A227 Y240 C294 F295 | P192-A284 HydrophobicContact CB-CB 3.97Å; F194-A284 HydrophobicContact CE2-CB 3.75Å; F194-A284 HydrophobicContact CZ-CB 3.84Å; A227-A284 HydrophobicContact CB-CB 3.65Å; Y240-A284 HydrophobicContact CD1-CB 3.82Å; Y240-A284 HydrophobicContact CE1-CB 3.51Å; A284-C294 CarbonylContact O-C 3.54Å; A284-C294 VanDerWaalsContact O-CA 3.24Å; A284-C294 WeakPolarHBondContact O-CA 3.22Å; A284-F295 PolarHBondContact N-O 3.02Å; A284-F295 VanDerWaalsContact N-O 3.15Å; A284-F295 PolarHBondContact O-N 3.37Å |
| 285 | C | 92.2 | Very high | 87.8 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | I237 Q238 S239 K293 C294 | I237-C285 WeakPolarHBondContact CA-O 3.4Å; Q238-C285 PolarHBondContact N-O 2.88Å; S239-C285 PolarHBondContact N-O 3.01Å; S239-C285 VanDerWaalsContact N-O 3.09Å; S239-C285 PolarHBondContact O-N 2.8Å; C285-K293 WeakPolarHBondContact CA-O 3.47Å; C285-C294 HydrophobicContact CB-CB 4.12Å; C285-C294 WeakPolarHBondContact CB-SG 3.22Å; C285-C294 WeakPolarHBondContact SG-CB 3.33Å; C285-C294 CovalentContact SG-SG 2.04Å; C285-C294 PolarHBondContact SG-SG 3.19Å |
| 286 | D | 90.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -72.6 | -170.6 | 162.6 | 65.6 | 47 | 0 | 0 | 0 | 111.7 | N188 P192 N235 G288 P292 K293 | N188-D286 VanDerWaalsContact ND2-CG 3.27Å; N188-D286 PolarHBondContact ND2-OD2 2.84Å; P192-D286 HydrophobicContact CG-CB 4.23Å; N235-D286 VanDerWaalsContact O-CB 3.23Å; N235-D286 WeakPolarHBondContact O-CB 3.41Å; D286-G288 WeakPolarHBondContact OD1-CA 3.34Å; D286-G288 PolarHBondContact OD1-N 2.82Å; D286-P292 WeakPolarHBondContact O-CB 3.39Å; D286-P292 WeakPolarHBondContact OD1-CA 3.41Å; D286-P292 WeakPolarHBondContact OD1-CB 3.35Å; D286-K293 VanDerWaalsContact CG-N 3.28Å; D286-K293 PolarHBondContact N-O 2.79Å; D286-K293 PolarHBondContact OD1-N 2.93Å; D286-K293 WeakPolarHBondContact OD2-CA 3.34Å; D286-K293 VanDerWaalsContact OD2-CB 3.25Å; D286-K293 WeakPolarHBondContact OD2-CB 3.43Å; D286-K293 PolarHBondContact OD2-N 3.24Å | ||
| 287 | G | 83.9 | Confident | 88 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | trans | -114.6 | 21.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I234 | I234-G287 CarbonylContact O-C 3.15Å; I234-G287 WeakPolarHBondContact O-CA 3.33Å; I234-G287 PolarHBondContact O-N 2.78Å | ||
| 288 | G | 76.4 | Confident | 88 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -43.3 | 131.7 | -167 | 0 | 0 | 0 | 0 | 0 | 114.6 | D286 I290 I291 | D286-G288 WeakPolarHBondContact OD1-CA 3.34Å; D286-G288 PolarHBondContact OD1-N 2.82Å; G288-I290 PolarHBondContact O-N 2.88Å; G288-I291 CarbonylContact O-C 3.51Å; G288-I291 VanDerWaalsContact O-C 3.26Å; G288-I291 PolarHBondContact O-N 3.28Å | ||
| 289 | Q | 66 | Low | 88 | Confident | 148 Ų | 148 | 45.6 Ų | 45.6 | 69% | 0.692 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -64.2 | 129.6 | -174.3 | -61.7 | -168.3 | 16.2 | 0 | 0 | 111.1 | I234 I291 | I234-Q289 HydrophobicContact CG2-CG 4.32Å; Q289-I291 VanDerWaalsContact C-N 3.28Å; Q289-I291 PolarHBondContact O-N 3.44Å |
| 290 | I | 71.3 | Confident | 87.9 | Confident | 176 Ų | 176 | 44 Ų | 44 | 90% | 0.903 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 75.6 | -51.6 | -168.5 | -45.9 | 176.8 | 0 | 0 | 0 | 114.2 | G288 | G288-I290 PolarHBondContact O-N 2.88Š|
| 291 | I | 81.9 | Confident | 88 | Confident | 127 Ų | 127 | 43 Ų | 43 | 65% | 0.651 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -140.4 | 119.4 | 178 | -50.7 | -179.2 | 0 | 0 | 0 | 109.5 | G288 Q289 | G288-I291 CarbonylContact O-C 3.51Å; G288-I291 VanDerWaalsContact O-C 3.26Å; G288-I291 PolarHBondContact O-N 3.28Å; Q289-I291 VanDerWaalsContact C-N 3.28Å; Q289-I291 PolarHBondContact O-N 3.44Å |
| 292 | P | 88.2 | Confident | 88 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | trans | -76 | 144 | 171.8 | 31.7 | -34.2 | 0 | 0 | 0 | 111.1 | D286 | D286-P292 WeakPolarHBondContact O-CB 3.39Å; D286-P292 WeakPolarHBondContact OD1-CA 3.41Å; D286-P292 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 293 | K | 91 | Very high | 87.9 | Confident | 58 Ų | 58 | 44 Ų | 44 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | trans | -89.8 | 145.3 | 169.3 | -49.8 | -174.2 | -159.9 | 123.2 | 0 | 109.9 | N188 D189 H190 I191 C285 D286 | N188-K293 PolarHBondContact O-NZ 2.86Å; N188-K293 WeakPolarHBondContact OD1-CE 3.2Å; N188-K293 WeakPolarHBondContact OD1-CG 3.46Å; N188-K293 PolarHBondContact OD1-NZ 2.95Å; D189-K293 VanDerWaalsContact CA-NZ 3.26Å; D189-K293 PolarHBondContact O-NZ 3.44Å; H190-K293 WeakPolarHBondContact O-CD 3.42Å; H190-K293 PolarHBondContact O-NZ 3.05Å; I191-K293 HydrophobicContact CB-CB 4.33Å; I191-K293 HydrophobicContact CB-CD 4.22Å; I191-K293 HydrophobicContact CD1-CB 4.02Å; I191-K293 HydrophobicContact CG1-CB 3.76Å; I191-K293 HydrophobicContact CG1-CD 4.47Å; C285-K293 WeakPolarHBondContact CA-O 3.47Å; D286-K293 VanDerWaalsContact CG-N 3.28Å; D286-K293 PolarHBondContact N-O 2.79Å; D286-K293 PolarHBondContact OD1-N 2.93Å; D286-K293 WeakPolarHBondContact OD2-CA 3.34Å; D286-K293 VanDerWaalsContact OD2-CB 3.25Å; D286-K293 WeakPolarHBondContact OD2-CB 3.43Å; D286-K293 PolarHBondContact OD2-N 3.24Å | ||
| 294 | C | 92.1 | Very high | 87.8 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 35% | 0.345 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.7 | -175.4 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | I283 A284 C285 | I283-C294 HydrophobicContact CG2-CB 3.91Å; A284-C294 CarbonylContact O-C 3.54Å; A284-C294 VanDerWaalsContact O-CA 3.24Å; A284-C294 WeakPolarHBondContact O-CA 3.22Å; C285-C294 HydrophobicContact CB-CB 4.12Å; C285-C294 WeakPolarHBondContact CB-SG 3.22Å; C285-C294 WeakPolarHBondContact SG-CB 3.33Å; C285-C294 CovalentContact SG-SG 2.04Å; C285-C294 PolarHBondContact SG-SG 3.19Å |
| 295 | F | 91.8 | Very high | 87.7 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.5 | 174.9 | -177.4 | -81.2 | 0 | 0 | 0 | 111 | P192 F194 I283 A284 Q297 | P192-F295 WeakPolarHBondContact O-CB 3.32Å; P192-F295 WeakPolarHBondContact O-CG 3.1Å; F194-F295 AromaticContact CD2-CD1 3.82Å; F194-F295 HydrophobicContact CD2-CD1 3.82Å; F194-F295 HydrophobicContact CD2-CE1 4.1Å; F194-F295 HydrophobicContact CE2-CD1 4.28Å; I283-F295 WeakPolarHBondContact CA-O 3.33Å; A284-F295 PolarHBondContact N-O 3.02Å; A284-F295 VanDerWaalsContact N-O 3.15Å; A284-F295 PolarHBondContact O-N 3.37Å; F295-Q297 HydrophobicContact CD1-CB 4.2Å; F295-Q297 HydrophobicContact CE1-CB 3.98Å |
| 296 | N | 92.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.4 | 178 | -62.6 | 22.9 | 0 | 0 | 0 | 109.8 | K205 E281 I283 | K205-N296 VanDerWaalsContact CE-O 3.31Å; K205-N296 WeakPolarHBondContact CE-O 3.37Å; K205-N296 PolarHBondContact NZ-O 2.69Å; E281-N296 HydrophobicContact CB-CB 4.31Å; E281-N296 HydrophobicContact CG-CB 4.39Å; E281-N296 VanDerWaalsContact OE1-CB 3.25Å; E281-N296 WeakPolarHBondContact OE1-CB 3.19Å; E281-N296 PolarHBondContact OE1-ND2 2.83Å; E281-N296 PolarHBondContact OE2-ND2 2.95Å; I283-N296 HydrophobicContact CG1-CB 4.33Å |
| 297 | Q | 91.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.7 | 174.1 | 173.8 | 48.7 | 54.4 | 0 | 0 | 109.6 | F194 L196 L206 E281 L282 F295 F299 | F194-Q297 HydrophobicContact CB-CG 4.33Å; F194-Q297 HydrophobicContact CD2-CB 3.49Å; F194-Q297 VanDerWaalsContact CD2-CB 3.49Å; F194-Q297 HydrophobicContact CD2-CG 3.95Å; F194-Q297 HydrophobicContact CE2-CB 3.68Å; F194-Q297 HydrophobicContact CE2-CG 4.41Å; F194-Q297 HydrophobicContact CG-CB 4.16Å; F194-Q297 HydrophobicContact CG-CG 4.1Å; F194-Q297 HydrophobicContact CZ-CB 4.48Å; L196-Q297 HydrophobicContact CD1-CG 4.42Å; L206-Q297 PolarHBondContact O-NE2 3.12Å; E281-Q297 CarbonylContact C-O 3.5Å; E281-Q297 WeakPolarHBondContact CA-O 3.43Å; L282-Q297 PolarHBondContact N-O 2.82Å; L282-Q297 WeakPolarHBondContact O-CB 3.43Å; L282-Q297 PolarHBondContact O-N 3.04Å; F295-Q297 HydrophobicContact CD1-CB 4.2Å; F295-Q297 HydrophobicContact CE1-CB 3.98Å; Q297-F299 PolarHBondContact O-N 3.22Å |
| 298 | P | 91.1 | Very high | 88 | Confident | 32 Ų | 32 | 54 Ų | 54 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 125.7 | 171.5 | -26.2 | 34.7 | 0 | 0 | 0 | 110.8 | K205 I207 Y208 | K205-P298 HydrophobicContact CD-CG 3.92Å; K205-P298 HydrophobicContact CG-CG 4.1Å; I207-P298 HydrophobicContact CG1-CB 4.24Å; Y208-P298 PolarHBondContact N-O 3.34Å |
| 299 | F | 92.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.6 | -170.7 | -174.7 | -115.2 | 0 | 0 | 0 | 110.4 | Y208 V210 L224 L242 F247 L264 G280 L282 Q297 V301 | Y208-F299 AromaticContact CD1-CD2 3.65Å; Y208-F299 HydrophobicContact CD1-CD2 3.65Å; Y208-F299 AromaticContact CD1-CE2 3.81Å; Y208-F299 HydrophobicContact CD1-CE2 3.81Å; Y208-F299 HydrophobicContact CE1-CD2 4.27Å; Y208-F299 AromaticContact CE1-CE2 3.97Å; Y208-F299 HydrophobicContact CE1-CE2 3.97Å; Y208-F299 AromaticContact CG-CD2 3.94Å; Y208-F299 HydrophobicContact CG-CD2 3.94Å; Y208-F299 HydrophobicContact CG-CE2 4.21Å; Y208-F299 WeakPolarHBondContact O-CA 3.45Å; Y208-F299 WeakPolarHBondContact O-CD2 2.93Å; V210-F299 HydrophobicContact CB-CE2 4.48Å; V210-F299 HydrophobicContact CB-CZ 4.46Å; V210-F299 HydrophobicContact CG2-CE2 3.67Å; V210-F299 HydrophobicContact CG2-CZ 3.98Å; L224-F299 HydrophobicContact CD1-CZ 4.21Å; L224-F299 HydrophobicContact CD2-CE2 4.12Å; L224-F299 HydrophobicContact CD2-CZ 4.02Å; L242-F299 HydrophobicContact CD2-CD1 3.56Å; L242-F299 HydrophobicContact CD2-CE1 3.69Å; F247-F299 HydrophobicContact CE1-CD1 4.23Å; F247-F299 HydrophobicContact CE1-CE1 4.3Å; F247-F299 AromaticContact CE2-CD1 3.79Å; F247-F299 HydrophobicContact CE2-CD1 3.79Å; F247-F299 AromaticContact CZ-CD1 3.5Å; F247-F299 HydrophobicContact CZ-CD1 3.5Å; F247-F299 HydrophobicContact CZ-CE1 4.01Å; F247-F299 HydrophobicContact CZ-CG 4.49Å; L264-F299 HydrophobicContact CD1-CE1 4.41Å; L264-F299 HydrophobicContact CD2-CZ 4.37Å; G280-F299 PolarHBondContact N-O 2.64Å; G280-F299 PolarHBondContact O-N 2.67Å; L282-F299 HydrophobicContact CB-CB 3.74Å; L282-F299 HydrophobicContact CB-CD1 4.41Å; L282-F299 HydrophobicContact CB-CD2 4.24Å; L282-F299 HydrophobicContact CB-CG 3.9Å; L282-F299 HydrophobicContact CD2-CD2 4.42Å; Q297-F299 PolarHBondContact O-N 3.22Å; F299-V301 HydrophobicContact CD1-CG2 4.26Å; F299-V301 HydrophobicContact CE1-CG2 3.48Å; F299-V301 VanDerWaalsContact CE1-CG2 3.48Å; F299-V301 HydrophobicContact CZ-CG2 3.82Å |
| 300 | Q | 92.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 127.8 | -174.4 | -177.9 | -179.6 | -4.5 | 0 | 0 | 109.6 | I207 Y208 I209 V210 N277 Y278 T279 | I207-Q300 HydrophobicContact CG2-CB 3.74Å; Y208-Q300 PolarHBondContact O-N 2.94Å; I209-Q300 CarbonylContact C-O 3.55Å; I209-Q300 WeakPolarHBondContact CA-O 3.45Å; I209-Q300 HydrophobicContact CG1-CB 4.26Å; V210-Q300 PolarHBondContact N-O 3.37Å; N277-Q300 PolarHBondContact ND2-NE2 2.9Å; N277-Q300 WeakPolarHBondContact OD1-CG 2.92Å; N277-Q300 PolarHBondContact OD1-NE2 2.7Å; Y278-Q300 CarbonylContact O-C 3.6Å; Y278-Q300 WeakPolarHBondContact O-CA 3.47Å; T279-Q300 HydrophobicContact CG2-CG 4.33Å |
| 301 | V | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.4 | 171.9 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | V210 V212 F247 F252 L264 Y278 F299 I303 | V210-V301 WeakPolarHBondContact O-CA 3.34Å; V212-V301 HydrophobicContact CB-CG1 4.42Å; V212-V301 HydrophobicContact CG2-CG1 3.51Å; F247-V301 HydrophobicContact CE1-CB 4.21Å; F247-V301 HydrophobicContact CE1-CG2 3.65Å; F247-V301 HydrophobicContact CZ-CG2 4.05Å; F252-V301 HydrophobicContact CE1-CB 4.44Å; F252-V301 HydrophobicContact CE1-CG1 3.92Å; F252-V301 HydrophobicContact CZ-CG1 4.31Å; L264-V301 HydrophobicContact CD2-CG1 4.28Å; L264-V301 HydrophobicContact CD2-CG2 3.77Å; Y278-V301 PolarHBondContact N-O 2.87Å; Y278-V301 PolarHBondContact O-N 2.71Å; F299-V301 HydrophobicContact CD1-CG2 4.26Å; F299-V301 HydrophobicContact CE1-CG2 3.48Å; F299-V301 VanDerWaalsContact CE1-CG2 3.48Å; F299-V301 HydrophobicContact CZ-CG2 3.82Å; V301-I303 HydrophobicContact CG1-CD1 4.14Å |
| 302 | H | 92.3 | Very high | 91.6 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 32% | 0.324 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.7 | 179.1 | 176.3 | 30.9 | 0 | 0 | 0 | 109.1 | I209 V210 N211 V212 N276 | I209-H302 HydrophobicContact CG2-CB 4.35Å; V210-H302 PolarHBondContact O-N 3.28Å; N211-H302 CarbonylContact C-O 3.56Å; N211-H302 WeakPolarHBondContact CA-O 3.3Å; V212-H302 PolarHBondContact N-O 2.66Å; N276-H302 PolarHBondContact O-ND1 3.06Å |
| 303 | I | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132 | 177.3 | -42.9 | -50.9 | 0 | 0 | 0 | 108.9 | V212 E214 L270 A272 N276 Y278 V301 | V212-I303 HydrophobicContact CB-CD1 4.3Å; V212-I303 CarbonylContact O-C 3.26Å; V212-I303 WeakPolarHBondContact O-CA 3.39Å; E214-I303 HydrophobicContact CB-CG2 3.58Å; L270-I303 HydrophobicContact CB-CG2 4.45Å; L270-I303 HydrophobicContact CD1-CD1 4.11Å; L270-I303 HydrophobicContact CD2-CD1 4.19Å; A272-I303 HydrophobicContact CB-CG2 4.34Å; N276-I303 PolarHBondContact O-N 2.88Å; Y278-I303 HydrophobicContact CD2-CD1 3.98Å; Y278-I303 HydrophobicContact CD2-CG1 4.02Å; Y278-I303 HydrophobicContact CE2-CD1 3.89Å; Y278-I303 HydrophobicContact CE2-CG1 3.69Å; V301-I303 HydrophobicContact CG1-CD1 4.14Å |
| 304 | T | 90.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.5 | 178.8 | 62.7 | 0 | 0 | 0 | 0 | 111 | N211 V212 S213 | N211-T304 HydrophobicContact CB-CG2 4.05Å; V212-T304 PolarHBondContact O-N 2.8Å; V212-T304 PolarHBondContact O-OG1 3.33Å; S213-T304 WeakPolarHBondContact CA-OG1 3.14Å |
| 305 | D | 91 | Very high | 91.9 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | trans | -37.2 | 133.2 | 172.1 | -167.5 | 97.4 | 0 | 0 | 0 | 116.5 | E214 S342 N345 | E214-D305 VanDerWaalsContact OE1-C 3.28Å; E214-D305 WeakPolarHBondContact OE1-CA 3.4Å; D305-S342 VanDerWaalsContact CG-CB 3.49Å; D305-S342 WeakPolarHBondContact OD1-CA 3.24Å; D305-S342 WeakPolarHBondContact OD1-CB 3.38Å; D305-S342 PolarHBondContact OD1-N 3.38Å; D305-S342 PolarHBondContact OD1-OG 2.99Å; D305-S342 PolarHBondContact OD2-N 3.23Å; D305-N345 PolarHBondContact OD2-ND2 2.88Å | ||
| 306 | V | 89.7 | Confident | 91.8 | Very high | 44 Ų | 44 | 50.2 Ų | 50.2 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | trans | -133.6 | 140.6 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | S213 E214 D308 | S213-V306 WeakPolarHBondContact OG-CG2 3.36Å; E214-V306 HydrophobicContact CG-CB 4.11Å; E214-V306 HydrophobicContact CG-CG2 4.05Å; E214-V306 PolarHBondContact OE1-N 2.7Å; V306-D308 VanDerWaalsContact C-N 3.32Å; V306-D308 PolarHBondContact O-N 3.23Å | ||
| 307 | N | 91.9 | Very high | 91.9 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -73.9 | 77.4 | -175.3 | -158.1 | 119 | 0 | 0 | 0 | 112.6 | D341 N345 D395 G397 L401 | N307-D341 VanDerWaalsContact CA-OD2 3.28Å; N307-D341 WeakPolarHBondContact CA-OD2 3.25Å; N307-N345 HydrophobicContact CB-CB 3.96Å; N307-N345 PolarHBondContact N-ND2 3.36Å; N307-N345 WeakPolarHBondContact OD1-CA 3.19Å; N307-N345 WeakPolarHBondContact OD1-CB 3.38Å; N307-N345 PolarHBondContact OD1-OD1 2.85Å; N307-D395 PolarHBondContact ND2-OD2 2.84Å; N307-D395 PolarHBondContact OD1-OD1 2.83Å; N307-G397 VanDerWaalsContact OD1-CA 3.24Å; N307-G397 WeakPolarHBondContact OD1-CA 3.12Å; N307-L401 WeakPolarHBondContact O-CD1 3.38Å |
| 308 | D | 90.4 | Very high | 92 | Very high | 111 Ų | 111 | 51 Ų | 51 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | trans | -115 | -25.2 | -174.2 | 119.1 | -37.8 | 0 | 0 | 0 | 113.5 | V306 D341 | V306-D308 VanDerWaalsContact C-N 3.32Å; V306-D308 PolarHBondContact O-N 3.23Å; D308-D341 PolarHBondContact N-OD2 3.06Å | ||
| 309 | N | 90.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -79.6 | 166.4 | 162.3 | -57.4 | -88.5 | 0 | 0 | 0 | 110.7 | A340 D341 L401 | N309-A340 HydrophobicContact CB-CB 3.92Å; N309-D341 WeakPolarHBondContact CB-OD1 3.38Å; N309-D341 PolarHBondContact N-OD1 2.72Å; N309-D341 PolarHBondContact ND2-OD1 3.29Å; N309-L401 WeakPolarHBondContact O-CD1 3.27Å |
| 310 | K | 91.7 | Very high | 92.2 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | trans | -132.1 | 157.4 | -179.4 | 72.8 | -171.7 | 176.9 | -169.6 | 0 | 109.2 | I312 D339 L401 | K310-I312 PolarHBondContact O-N 2.73Å; K310-D339 VanDerWaalsContact C-OD1 3.25Å; K310-D339 VanDerWaalsContact C-OD2 3.24Å; K310-D339 PolarHBondContact N-OD1 2.74Å; K310-L401 HydrophobicContact CB-CB 3.7Å; K310-L401 HydrophobicContact CB-CD1 4.4Å | ||
| 311 | P | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | trans | -59.5 | 130.8 | 177.4 | -27.4 | 34.2 | 0 | 0 | 0 | 112.8 | D339 L348 V393 D395 G403 | P311-D339 VanDerWaalsContact CA-OD2 3.31Å; P311-D339 WeakPolarHBondContact CA-OD2 3.2Å; P311-D339 WeakPolarHBondContact CD-OD2 3.11Å; P311-D339 WeakPolarHBondContact CG-OD2 3.11Å; P311-L348 HydrophobicContact CB-CD2 3.7Å; P311-L348 HydrophobicContact CG-CD2 3.56Å; P311-V393 HydrophobicContact CB-CB 4.45Å; P311-V393 HydrophobicContact CB-CG1 3.5Å; P311-V393 VanDerWaalsContact CB-CG1 3.5Å; P311-V393 HydrophobicContact CB-CG2 4.27Å; P311-V393 HydrophobicContact CG-CG1 4.39Å; P311-D395 HydrophobicContact CG-CB 4.4Å; P311-G403 WeakPolarHBondContact O-CA 3.47Å | ||
| 312 | I | 93.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 54% | 0.544 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.1 | 177 | -66.4 | 167.7 | 0 | 0 | 0 | 109.9 | K310 A337 T338 | K310-I312 PolarHBondContact O-N 2.73Å; I312-A337 CarbonylContact O-C 3.57Å; I312-A337 WeakPolarHBondContact O-CA 3.23Å; I312-A337 WeakPolarHBondContact O-CB 3.24Å; I312-T338 PolarHBondContact N-O 3.25Å; I312-T338 PolarHBondContact O-N 2.66Å |
| 313 | F | 94.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 145 | 169.3 | -72.2 | -80.3 | 0 | 0 | 0 | 111.4 | Q315 Y318 L335 A337 Y350 I391 V393 T405 | F313-Q315 WeakPolarHBondContact CB-O 3.16Å; F313-Q315 PolarHBondContact O-N 2.74Å; F313-Y318 HydrophobicContact CD1-CE2 4.29Å; F313-L335 HydrophobicContact CE1-CB 4.16Å; F313-L335 HydrophobicContact CE1-CD1 4.4Å; F313-A337 HydrophobicContact CD1-CB 3.78Å; F313-A337 HydrophobicContact CE1-CB 4.07Å; F313-A337 HydrophobicContact CG-CB 4.12Å; F313-Y350 HydrophobicContact CE1-CD1 4.15Å; F313-Y350 AromaticContact CE1-CE1 3.85Å; F313-Y350 HydrophobicContact CE1-CE1 3.85Å; F313-Y350 HydrophobicContact CZ-CD1 4.31Å; F313-Y350 HydrophobicContact CZ-CE1 4.34Å; F313-I391 HydrophobicContact CZ-CB 4.31Å; F313-I391 HydrophobicContact CZ-CG2 3.94Å; F313-V393 HydrophobicContact CD2-CG1 4.06Å; F313-V393 HydrophobicContact CE1-CB 4.46Å; F313-V393 HydrophobicContact CE1-CG1 4.2Å; F313-V393 HydrophobicContact CE2-CB 4.11Å; F313-V393 HydrophobicContact CE2-CG1 3.37Å; F313-V393 HydrophobicContact CZ-CB 3.72Å; F313-V393 HydrophobicContact CZ-CG1 3.45Å; F313-V393 VanDerWaalsContact CZ-CG1 3.45Å; F313-T405 HydrophobicContact CB-CG2 4.4Å; F313-T405 HydrophobicContact CD1-CG2 3.68Å; F313-T405 VanDerWaalsContact CD2-CB 3.48Å; F313-T405 HydrophobicContact CD2-CG2 3.49Å; F313-T405 VanDerWaalsContact CD2-CG2 3.49Å; F313-T405 HydrophobicContact CE1-CG2 3.65Å; F313-T405 HydrophobicContact CE2-CG2 3.43Å; F313-T405 VanDerWaalsContact CE2-CG2 3.43Å; F313-T405 HydrophobicContact CG-CG2 3.6Å; F313-T405 HydrophobicContact CZ-CG2 3.53Å |
| 314 | N | 91.3 | Very high | 92.2 | Very high | 103 Ų | 103 | 61.7 Ų | 61.7 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.2 | -12.4 | 176.2 | 73.5 | -7.1 | 0 | 0 | 0 | 114.3 | Y318 N336 | N314-Y318 WeakPolarHBondContact OD1-CE1 3.21Å; N314-Y318 PolarHBondContact OD1-OH 3.36Å; N314-N336 PolarHBondContact N-O 3.21Å; N314-N336 VanDerWaalsContact N-O 3.09Å |
| 315 | Q | 91.2 | Very high | 92.1 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | trans | -138.4 | 139.1 | 172.3 | -60.9 | -177.8 | 2.9 | 0 | 0 | 110.6 | F313 V317 Y318 T405 | F313-Q315 WeakPolarHBondContact CB-O 3.16Å; F313-Q315 PolarHBondContact O-N 2.74Å; Q315-V317 PolarHBondContact OE1-O 3.37Å; Q315-Y318 HydrophobicContact CB-CD1 4.08Å; Q315-Y318 HydrophobicContact CB-CD2 4.29Å; Q315-Y318 HydrophobicContact CB-CE1 3.85Å; Q315-Y318 HydrophobicContact CB-CE2 4.06Å; Q315-Y318 HydrophobicContact CB-CG 4.31Å; Q315-Y318 HydrophobicContact CG-CD1 4.3Å; Q315-Y318 HydrophobicContact CG-CE1 4Å; Q315-T405 PolarHBondContact O-OG1 3.4Å | ||
| 316 | S | 89.6 | Confident | 92.1 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -76.7 | -23.9 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | T405 V406 | S316-T405 VanDerWaalsContact C-OG1 3.27Å; S316-T405 PolarHBondContact O-OG1 3.05Å; S316-T405 VanDerWaalsContact O-OG1 3.11Å; S316-V406 PolarHBondContact O-N 2.77Å |
| 317 | V | 93.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.4 | 170 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | Q315 V406 R408 | Q315-V317 PolarHBondContact OE1-O 3.37Å; V317-V406 CarbonylContact C-O 3.52Å; V317-V406 VanDerWaalsContact CA-O 3.25Å; V317-V406 WeakPolarHBondContact CA-O 3.42Å; V317-V406 WeakPolarHBondContact CG1-O 3.38Å; V317-R408 HydrophobicContact CG1-CG 4.13Å |
| 318 | Y | 94.9 | Very high | 92 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.043 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.3 | 171.2 | -62 | -97.1 | 0 | 0 | 0 | 109.1 | F313 N314 Q315 I333 L335 N336 T405 V406 V407 R408 | F313-Y318 HydrophobicContact CD1-CE2 4.29Å; N314-Y318 WeakPolarHBondContact OD1-CE1 3.21Å; N314-Y318 PolarHBondContact OD1-OH 3.36Å; Q315-Y318 HydrophobicContact CB-CD1 4.08Å; Q315-Y318 HydrophobicContact CB-CD2 4.29Å; Q315-Y318 HydrophobicContact CB-CE1 3.85Å; Q315-Y318 HydrophobicContact CB-CE2 4.06Å; Q315-Y318 HydrophobicContact CB-CG 4.31Å; Q315-Y318 HydrophobicContact CG-CD1 4.3Å; Q315-Y318 HydrophobicContact CG-CE1 4Å; Y318-I333 HydrophobicContact CD1-CD1 3.62Å; Y318-I333 HydrophobicContact CE1-CD1 4.35Å; Y318-I333 HydrophobicContact CG-CD1 4.06Å; Y318-L335 HydrophobicContact CD1-CD2 4.27Å; Y318-L335 HydrophobicContact CD2-CD2 3.8Å; Y318-L335 HydrophobicContact CE1-CD2 4.23Å; Y318-L335 HydrophobicContact CE2-CD2 3.75Å; Y318-L335 HydrophobicContact CG-CD2 4.06Å; Y318-N336 PolarHBondContact OH-O 3.04Å; Y318-T405 HydrophobicContact CD2-CG2 4.17Å; Y318-T405 HydrophobicContact CE2-CG2 3.81Å; Y318-T405 WeakPolarHBondContact CE2-OG1 3.17Å; Y318-V406 PolarHBondContact N-O 3.04Å; Y318-V407 HydrophobicContact CD2-CG2 4.28Å; Y318-V407 CarbonylContact O-C 3.6Å; Y318-V407 WeakPolarHBondContact O-CA 3.32Å; Y318-R408 PolarHBondContact O-N 2.86Å |
| 319 | D | 94.2 | Very high | 92 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.3 | 176.2 | -71.1 | -40.8 | 0 | 0 | 0 | 110.5 | R408 | D319-R408 WeakPolarHBondContact OD1-CB 3.21Å; D319-R408 IonicContact OD1-CZ 2.77Å; D319-R408 IonicContact OD1-NE 2.95Å; D319-R408 PolarHBondContact OD1-NE 3.01Å; D319-R408 IonicContact OD1-NH2 2.77Å; D319-R408 PolarHBondContact OD1-NH2 3.46Å; D319-R408 IonicContact OD2-CZ 3.76Å; D319-R408 IonicContact OD2-NH2 2.67Å; D319-R408 PolarHBondContact OD2-NH2 3.33Å |
| 320 | I | 93.2 | Very high | 92 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 14% | 0.138 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.5 | -174.9 | -44.8 | 170.5 | 0 | 0 | 0 | 109.7 | I322 I332 I333 V407 R408 I409 T410 | I320-I322 HydrophobicContact CG2-CG2 4.02Å; I320-I332 HydrophobicContact CD1-CG2 4.14Å; I320-I333 HydrophobicContact CD1-CB 3.63Å; I320-I333 HydrophobicContact CD1-CD1 3.77Å; I320-I333 HydrophobicContact CD1-CG1 4.29Å; I320-I333 HydrophobicContact CD1-CG2 3.63Å; I320-I333 HydrophobicContact CG1-CD1 4.28Å; I320-V407 HydrophobicContact CD1-CG1 3.44Å; I320-V407 VanDerWaalsContact CD1-CG1 3.44Å; I320-V407 HydrophobicContact CG1-CG1 4.19Å; I320-R408 PolarHBondContact N-O 3.18Å; I320-I409 HydrophobicContact CD1-CG1 4.39Å; I320-I409 WeakPolarHBondContact O-CA 3.35Å; I320-T410 PolarHBondContact O-N 2.99Å |
| 321 | E | 93 | Very high | 92.1 | Very high | 123 Ų | 123 | 64.8 Ų | 64.8 | 58% | 0.575 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.3 | 168.6 | -54.6 | -175.5 | 123.5 | 0 | 0 | 109.7 | T410 K412 | E321-T410 WeakPolarHBondContact CA-O 3.43Å; E321-K412 HydrophobicContact CB-CD 4.33Å; E321-K412 WeakPolarHBondContact OE1-CE 3.48Å; E321-K412 IonicContact OE1-NZ 3.13Å; E321-K412 PolarHBondContact OE1-NZ 2.94Å; E321-K412 IonicContact OE2-NZ 3.88Å; E321-K412 PolarHBondContact OE2-NZ 3.18Å |
| 322 | I | 93.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.9 | 176.6 | 60 | -178.5 | 0 | 0 | 0 | 110.7 | I320 I326 I332 L379 I409 T410 V411 K412 | I320-I322 HydrophobicContact CG2-CG2 4.02Å; I322-I326 HydrophobicContact CB-CD1 4.43Å; I322-I326 HydrophobicContact CD1-CG2 4.49Å; I322-I326 HydrophobicContact CG2-CD1 4.36Å; I322-I332 HydrophobicContact CD1-CD1 3.85Å; I322-I332 HydrophobicContact CD1-CG2 4.33Å; I322-I332 HydrophobicContact CG2-CG2 4.33Å; I322-L379 HydrophobicContact CD1-CD1 3.46Å; I322-L379 VanDerWaalsContact CD1-CD1 3.46Å; I322-L379 HydrophobicContact CG1-CD1 4Å; I322-I409 HydrophobicContact CD1-CG2 3.43Å; I322-I409 VanDerWaalsContact CD1-CG2 3.43Å; I322-I409 HydrophobicContact CG1-CG2 3.67Å; I322-T410 PolarHBondContact N-O 2.93Å; I322-V411 CarbonylContact O-C 3.56Å; I322-V411 WeakPolarHBondContact O-CA 3.49Å; I322-K412 PolarHBondContact O-N 3.06Å |
| 323 | L | 91.5 | Very high | 92.1 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 147.1 | 170.3 | -63.6 | 172.4 | 0 | 0 | 0 | 110 | N325 I326 K412 | L323-N325 VanDerWaalsContact C-N 3.28Å; L323-N325 VanDerWaalsContact CB-OD1 3.27Å; L323-N325 WeakPolarHBondContact CB-OD1 3.11Å; L323-N325 PolarHBondContact O-N 2.75Å; L323-I326 VanDerWaalsContact O-CB 3.31Å; L323-I326 WeakPolarHBondContact O-CB 3.47Å; L323-I326 WeakPolarHBondContact O-CG2 2.99Å; L323-I326 PolarHBondContact O-N 3.09Å; L323-K412 WeakPolarHBondContact CA-O 3.41Å; L323-K412 HydrophobicContact CD2-CB 3.95Å |
| 324 | E | 91.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -29.3 | 179.2 | 79 | -159.5 | 112.1 | 0 | 0 | 113.7 | I326 L379 N380 A381 V411 K412 D413 T414 | E324-I326 PolarHBondContact O-N 3.11Å; E324-I326 VanDerWaalsContact O-N 3.08Å; E324-L379 HydrophobicContact CB-CB 3.92Å; E324-N380 VanDerWaalsContact OE2-CA 3.32Å; E324-N380 WeakPolarHBondContact OE2-CA 3.4Å; E324-A381 WeakPolarHBondContact OE2-CB 2.99Å; E324-A381 PolarHBondContact OE2-N 2.97Å; E324-V411 HydrophobicContact CB-CG1 3.64Å; E324-K412 PolarHBondContact N-O 3.41Å; E324-D413 VanDerWaalsContact OE1-CA 3.23Å; E324-D413 WeakPolarHBondContact OE1-CA 3.41Å; E324-T414 PolarHBondContact OE1-N 2.95Å |
| 325 | N | 88.8 | Confident | 92.2 | Very high | 90 Ų | 90 | 62.6 Ų | 62.6 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 5.8 | 178.4 | 75 | -3.2 | 0 | 0 | 0 | 114.4 | L323 T414 | L323-N325 VanDerWaalsContact C-N 3.28Å; L323-N325 VanDerWaalsContact CB-OD1 3.27Å; L323-N325 WeakPolarHBondContact CB-OD1 3.11Å; L323-N325 PolarHBondContact O-N 2.75Å; N325-T414 HydrophobicContact CB-CG2 4.27Å; N325-T414 WeakPolarHBondContact ND2-CG2 3.26Å |
| 326 | I | 90.5 | Very high | 92.2 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.2 | 179 | -167 | 178.6 | 0 | 0 | 0 | 111 | I322 L323 E324 S330 I332 L375 L379 | I322-I326 HydrophobicContact CB-CD1 4.43Å; I322-I326 HydrophobicContact CD1-CG2 4.49Å; I322-I326 HydrophobicContact CG2-CD1 4.36Å; L323-I326 VanDerWaalsContact O-CB 3.31Å; L323-I326 WeakPolarHBondContact O-CB 3.47Å; L323-I326 WeakPolarHBondContact O-CG2 2.99Å; L323-I326 PolarHBondContact O-N 3.09Å; E324-I326 PolarHBondContact O-N 3.11Å; E324-I326 VanDerWaalsContact O-N 3.08Å; I326-S330 WeakPolarHBondContact CG1-OG 3.14Å; I326-I332 HydrophobicContact CD1-CD1 3.9Å; I326-L375 HydrophobicContact CG2-CD2 3.95Å; I326-L375 WeakPolarHBondContact O-CD2 3.5Å; I326-L379 HydrophobicContact CG2-CD1 3.92Å |
| 327 | T | 90.1 | Very high | 92.4 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 144.7 | -170 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | S330 | T327-S330 WeakPolarHBondContact O-CB 3.28Å; T327-S330 PolarHBondContact O-N 3.46Å; T327-S330 VanDerWaalsContact O-N 3.15Å; T327-S330 PolarHBondContact O-OG 3.25Å |
| 328 | L | 89.2 | Confident | 92.4 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 141.4 | 171.6 | -68.2 | 175.1 | 0 | 0 | 0 | 111.9 | S330 L375 A377 F378 | L328-S330 PolarHBondContact O-N 3.4Å; L328-L375 HydrophobicContact CD2-CD2 4.31Å; L328-A377 VanDerWaalsContact CD2-C 3.49Å; L328-F378 HydrophobicContact CD1-CD2 4.25Å; L328-F378 HydrophobicContact CD1-CE1 4.12Å; L328-F378 HydrophobicContact CD1-CE2 3.63Å; L328-F378 HydrophobicContact CD1-CZ 3.55Å; L328-F378 HydrophobicContact CD2-CD1 4.25Å; L328-F378 HydrophobicContact CD2-CD2 4.3Å; L328-F378 HydrophobicContact CD2-CE1 4.4Å; L328-F378 HydrophobicContact CD2-CE2 4.45Å; L328-F378 HydrophobicContact CD2-CG 4.21Å; L328-F378 HydrophobicContact CD2-CZ 4.5Å; L328-F378 HydrophobicContact CG-CD1 4.12Å; L328-F378 HydrophobicContact CG-CD2 4.4Å; L328-F378 HydrophobicContact CG-CE1 3.77Å; L328-F378 HydrophobicContact CG-CE2 4.08Å; L328-F378 HydrophobicContact CG-CG 4.42Å; L328-F378 HydrophobicContact CG-CZ 3.76Å |
| 329 | N | 90.6 | Very high | 92.4 | Very high | 127 Ų | 127 | 60.2 Ų | 60.2 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 16.7 | -175 | -41.4 | -73.1 | 0 | 0 | 0 | 115.1 | L375 | N329-L375 VanDerWaalsContact CA-O 3.3Å; N329-L375 WeakPolarHBondContact CA-O 3.44Å; N329-L375 PolarHBondContact N-O 3.4Å |
| 330 | S | 91.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | trans | -65.3 | 139.3 | 165.9 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | I326 T327 L328 Y374 L375 | I326-S330 WeakPolarHBondContact CG1-OG 3.14Å; T327-S330 WeakPolarHBondContact O-CB 3.28Å; T327-S330 PolarHBondContact O-N 3.46Å; T327-S330 VanDerWaalsContact O-N 3.15Å; T327-S330 PolarHBondContact O-OG 3.25Å; L328-S330 PolarHBondContact O-N 3.4Å; S330-Y374 CarbonylContact O-C 3.49Å; S330-Y374 VanDerWaalsContact O-CA 3.27Å; S330-Y374 WeakPolarHBondContact O-CA 3.45Å; S330-L375 PolarHBondContact O-N 3.47Å | ||
| 331 | T | 93.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 57 Ų | 57 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.5 | 167.7 | -48.3 | 0 | 0 | 0 | 0 | 109 | E372 Y374 | T331-E372 HydrophobicContact CG2-CB 4.05Å; T331-E372 HydrophobicContact CG2-CG 3.99Å; T331-E372 PolarHBondContact OG1-OE1 3Å; T331-Y374 HydrophobicContact CG2-CE1 4.41Å; T331-Y374 WeakPolarHBondContact OG1-CE1 3.29Å |
| 332 | I | 94.2 | Very high | 92.2 | Very high | 20 Ų | 20 | 53 Ų | 53 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -43.6 | 179.8 | -53.6 | -64.6 | 0 | 0 | 0 | 110.6 | I320 I322 I326 F364 I373 L375 I409 | I320-I332 HydrophobicContact CD1-CG2 4.14Å; I322-I332 HydrophobicContact CD1-CD1 3.85Å; I322-I332 HydrophobicContact CD1-CG2 4.33Å; I322-I332 HydrophobicContact CG2-CG2 4.33Å; I326-I332 HydrophobicContact CD1-CD1 3.9Å; I332-F364 HydrophobicContact CD1-CE1 4.42Å; I332-F364 HydrophobicContact CG1-CD1 4.25Å; I332-F364 HydrophobicContact CG1-CE1 4.05Å; I332-I373 PolarHBondContact N-O 2.89Å; I332-L375 HydrophobicContact CD1-CB 4.17Å; I332-L375 HydrophobicContact CD1-CD1 4.46Å; I332-I409 HydrophobicContact CG2-CD1 4.01Å; I332-I409 HydrophobicContact CG2-CG1 4.45Å |
| 333 | I | 94.2 | Very high | 92 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 18% | 0.179 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 148.3 | 174.1 | -174 | 160.6 | 0 | 0 | 0 | 109.8 | Y318 I320 L335 E372 I373 V407 | Y318-I333 HydrophobicContact CD1-CD1 3.62Å; Y318-I333 HydrophobicContact CE1-CD1 4.35Å; Y318-I333 HydrophobicContact CG-CD1 4.06Å; I320-I333 HydrophobicContact CD1-CB 3.63Å; I320-I333 HydrophobicContact CD1-CD1 3.77Å; I320-I333 HydrophobicContact CD1-CG1 4.29Å; I320-I333 HydrophobicContact CD1-CG2 3.63Å; I320-I333 HydrophobicContact CG1-CD1 4.28Å; I333-L335 HydrophobicContact CD1-CD2 4.06Å; I333-L335 HydrophobicContact CG1-CD2 4.16Å; I333-L335 HydrophobicContact CG2-CD2 3.96Å; I333-L335 HydrophobicContact CG2-CG 4.4Å; I333-E372 WeakPolarHBondContact O-CA 3.32Å; I333-I373 HydrophobicContact CG2-CB 4.18Å; I333-I373 HydrophobicContact CG2-CD1 4.09Å; I333-I373 HydrophobicContact CG2-CG1 4.26Å; I333-I373 PolarHBondContact O-N 2.88Å; I333-V407 HydrophobicContact CG2-CG1 4.37Å |
| 334 | Q | 94 | Very high | 91.8 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120 | 159.3 | -175.2 | 169.8 | 26.6 | 0 | 0 | 109.1 | T370 E372 | Q334-T370 WeakPolarHBondContact CG-O 3.43Å; Q334-T370 PolarHBondContact NE2-O 2.79Å; Q334-E372 HydrophobicContact CB-CG 3.9Å; Q334-E372 HydrophobicContact CG-CG 3.85Å |
| 335 | L | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | trans | -81.9 | 143.3 | 175.8 | -56.8 | 176.3 | 0 | 0 | 0 | 110.2 | F313 Y318 I333 I366 G371 I373 I391 V407 | F313-L335 HydrophobicContact CE1-CB 4.16Å; F313-L335 HydrophobicContact CE1-CD1 4.4Å; Y318-L335 HydrophobicContact CD1-CD2 4.27Å; Y318-L335 HydrophobicContact CD2-CD2 3.8Å; Y318-L335 HydrophobicContact CE1-CD2 4.23Å; Y318-L335 HydrophobicContact CE2-CD2 3.75Å; Y318-L335 HydrophobicContact CG-CD2 4.06Å; I333-L335 HydrophobicContact CD1-CD2 4.06Å; I333-L335 HydrophobicContact CG1-CD2 4.16Å; I333-L335 HydrophobicContact CG2-CD2 3.96Å; I333-L335 HydrophobicContact CG2-CG 4.4Å; L335-I366 HydrophobicContact CD1-CD1 4.07Å; L335-G371 WeakPolarHBondContact CB-O 3.12Å; L335-G371 WeakPolarHBondContact CG-O 3.27Å; L335-G371 PolarHBondContact N-O 3.22Å; L335-I373 HydrophobicContact CD1-CD1 4.08Å; L335-I373 HydrophobicContact CD1-CG1 4.41Å; L335-I391 HydrophobicContact CD1-CB 4.17Å; L335-I391 HydrophobicContact CD1-CD1 4.29Å; L335-I391 HydrophobicContact CD1-CG1 3.73Å; L335-I391 HydrophobicContact CD1-CG2 3.74Å; L335-V407 HydrophobicContact CD1-CG2 4.22Å; L335-V407 HydrophobicContact CD2-CG2 3.72Å | ||
| 336 | N | 91.3 | Very high | 91.9 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | trans | -124.4 | 115.6 | 179.2 | -170.1 | 4.7 | 0 | 0 | 0 | 110.1 | N314 Y318 | N314-N336 PolarHBondContact N-O 3.21Å; N314-N336 VanDerWaalsContact N-O 3.09Å; Y318-N336 PolarHBondContact OH-O 3.04Å | ||
| 337 | A | 93 | Very high | 92 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | I312 F313 L348 Y350 V393 | I312-A337 CarbonylContact O-C 3.57Å; I312-A337 WeakPolarHBondContact O-CA 3.23Å; I312-A337 WeakPolarHBondContact O-CB 3.24Å; F313-A337 HydrophobicContact CD1-CB 3.78Å; F313-A337 HydrophobicContact CE1-CB 4.07Å; F313-A337 HydrophobicContact CG-CB 4.12Å; A337-L348 HydrophobicContact CB-CD1 3.95Å; A337-L348 WeakPolarHBondContact O-CD1 3.29Å; A337-Y350 HydrophobicContact CB-CE1 4.1Å; A337-Y350 PolarHBondContact N-OH 3.38Å; A337-V393 HydrophobicContact CB-CG1 3.99Å; A337-V393 HydrophobicContact CB-CG2 4.48Å |
| 338 | T | 93.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 60 Ų | 60 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142.5 | 175.9 | 51 | 0 | 0 | 0 | 0 | 109.3 | I312 | I312-T338 PolarHBondContact N-O 3.25Å; I312-T338 PolarHBondContact O-N 2.66Å |
| 339 | D | 94.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -103.8 | 165.9 | 157.4 | -126.2 | -50.6 | 0 | 0 | 0 | 110.6 | K310 P311 A346 L348 | K310-D339 VanDerWaalsContact C-OD1 3.25Å; K310-D339 VanDerWaalsContact C-OD2 3.24Å; K310-D339 PolarHBondContact N-OD1 2.74Å; P311-D339 VanDerWaalsContact CA-OD2 3.31Å; P311-D339 WeakPolarHBondContact CA-OD2 3.2Å; P311-D339 WeakPolarHBondContact CD-OD2 3.11Å; P311-D339 WeakPolarHBondContact CG-OD2 3.11Å; D339-A346 HydrophobicContact CB-CB 3.74Å; D339-L348 HydrophobicContact CB-CD2 4.14Å | ||
| 340 | A | 92.2 | Very high | 92.7 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -96.4 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E273 N309 | E273-A340 HydrophobicContact CG-CB 3.72Å; N309-A340 HydrophobicContact CB-CB 3.92Å |
| 341 | D | 94.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -58.5 | -175 | -177.4 | -53.1 | -10.5 | 0 | 0 | 0 | 114.1 | N307 D308 N309 N345 A346 | N307-D341 VanDerWaalsContact CA-OD2 3.28Å; N307-D341 WeakPolarHBondContact CA-OD2 3.25Å; D308-D341 PolarHBondContact N-OD2 3.06Å; N309-D341 WeakPolarHBondContact CB-OD1 3.38Å; N309-D341 PolarHBondContact N-OD1 2.72Å; N309-D341 PolarHBondContact ND2-OD1 3.29Å; D341-N345 HydrophobicContact CB-CB 3.53Å; D341-A346 WeakPolarHBondContact O-CB 3.38Å |
| 342 | S | 90 | Very high | 93 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | trans | -112.3 | 161.4 | -177.5 | -48.7 | 0 | 0 | 0 | 0 | 114.6 | D305 Q344 N345 A346 | D305-S342 VanDerWaalsContact CG-CB 3.49Å; D305-S342 WeakPolarHBondContact OD1-CA 3.24Å; D305-S342 WeakPolarHBondContact OD1-CB 3.38Å; D305-S342 PolarHBondContact OD1-N 3.38Å; D305-S342 PolarHBondContact OD1-OG 2.99Å; D305-S342 PolarHBondContact OD2-N 3.23Å; S342-Q344 PolarHBondContact O-N 2.73Å; S342-N345 WeakPolarHBondContact O-CB 3.36Å; S342-N345 PolarHBondContact O-N 2.75Å; S342-A346 PolarHBondContact O-N 2.88Å | ||
| 343 | N | 88.4 | Confident | 92.9 | Very high | 147 Ų | 147 | 53.6 Ų | 53.6 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -98.1 | 164.1 | -59.8 | -71 | 0 | 0 | 0 | 115.7 | ||
| 344 | Q | 89.2 | Confident | 92.7 | Very high | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -29 | 178.2 | -65.1 | -174.6 | 8.9 | 0 | 0 | 111.6 | S342 A346 K347 S396 | S342-Q344 PolarHBondContact O-N 2.73Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; Q344-K347 WeakPolarHBondContact O-CB 3.37Å; Q344-K347 PolarHBondContact O-N 2.91Å; Q344-S396 CarbonylContact O-C 3.6Å; Q344-S396 WeakPolarHBondContact O-CA 3.46Å; Q344-S396 WeakPolarHBondContact O-CB 3.47Å; Q344-S396 PolarHBondContact O-N 2.86Å; Q344-S396 VanDerWaalsContact O-N 3.11Å |
| 345 | N | 90.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -27.8 | -178.7 | -60 | -13.7 | 0 | 0 | 0 | 111.4 | D305 N307 D341 S342 D395 G397 | D305-N345 PolarHBondContact OD2-ND2 2.88Å; N307-N345 HydrophobicContact CB-CB 3.96Å; N307-N345 PolarHBondContact N-ND2 3.36Å; N307-N345 WeakPolarHBondContact OD1-CA 3.19Å; N307-N345 WeakPolarHBondContact OD1-CB 3.38Å; N307-N345 PolarHBondContact OD1-OD1 2.85Å; D341-N345 HydrophobicContact CB-CB 3.53Å; S342-N345 WeakPolarHBondContact O-CB 3.36Å; S342-N345 PolarHBondContact O-N 2.75Å; N345-D395 WeakPolarHBondContact O-CB 3.39Å; N345-G397 WeakPolarHBondContact OD1-CA 3.31Å |
| 346 | A | 90.7 | Very high | 92.4 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D339 D341 S342 Q344 L348 | D339-A346 HydrophobicContact CB-CB 3.74Å; D341-A346 WeakPolarHBondContact O-CB 3.38Å; S342-A346 PolarHBondContact O-N 2.88Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.32Å |
| 347 | K | 92.5 | Very high | 92.3 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 54% | 0.543 | 34% | 0.336 | S | S | . | . | trans | -83.4 | 88.6 | -178.5 | -169.7 | -169.9 | 172 | -168.2 | 0 | 111.2 | Q344 D395 S396 | Q344-K347 WeakPolarHBondContact O-CB 3.37Å; Q344-K347 PolarHBondContact O-N 2.91Å; K347-D395 CarbonylContact O-C 3.56Å; K347-D395 VanDerWaalsContact O-C 3.24Å; K347-D395 WeakPolarHBondContact O-CA 3.49Å; K347-S396 PolarHBondContact O-N 2.91Å; K347-S396 VanDerWaalsContact O-N 3.09Å; K347-S396 PolarHBondContact O-OG 2.95Å | ||
| 348 | L | 94.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | trans | -61.7 | 146.6 | -179.7 | -56.3 | -173.4 | 0 | 0 | 0 | 114.1 | P311 A337 D339 A346 Y350 V393 Q394 | P311-L348 HydrophobicContact CB-CD2 3.7Å; P311-L348 HydrophobicContact CG-CD2 3.56Å; A337-L348 HydrophobicContact CB-CD1 3.95Å; A337-L348 WeakPolarHBondContact O-CD1 3.29Å; D339-L348 HydrophobicContact CB-CD2 4.14Å; A346-L348 PolarHBondContact O-N 3.32Å; L348-Y350 HydrophobicContact CB-CE2 4.42Å; L348-V393 HydrophobicContact CB-CG2 3.91Å; L348-V393 HydrophobicContact CD1-CG2 4.33Å; L348-V393 HydrophobicContact CD2-CG2 4.13Å; L348-V393 HydrophobicContact CG-CG2 4.36Å; L348-Q394 CarbonylContact C-O 3.57Å; L348-Q394 WeakPolarHBondContact CA-O 3.25Å | ||
| 349 | S | 94.9 | Very high | 92 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 129.6 | 166.2 | 56.9 | 0 | 0 | 0 | 0 | 112 | S368 V393 Q394 | S349-S368 CarbonylContact C-O 3.53Å; S349-S368 WeakPolarHBondContact CA-O 3.1Å; S349-V393 WeakPolarHBondContact O-CA 2.99Å; S349-Q394 PolarHBondContact N-O 3.17Å; S349-Q394 PolarHBondContact O-N 2.88Å; S349-Q394 WeakPolarHBondContact OG-CG 3.14Å; S349-Q394 PolarHBondContact OG-NE2 3.37Å; S349-Q394 PolarHBondContact OG-O 3.33Å |
| 350 | Y | 96 | Very high | 91.9 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 7% | 0.071 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 145.8 | -172.9 | -59.5 | -90.7 | 0 | 0 | 0 | 112.2 | F313 A337 L348 S368 V393 | F313-Y350 HydrophobicContact CE1-CD1 4.15Å; F313-Y350 AromaticContact CE1-CE1 3.85Å; F313-Y350 HydrophobicContact CE1-CE1 3.85Å; F313-Y350 HydrophobicContact CZ-CD1 4.31Å; F313-Y350 HydrophobicContact CZ-CE1 4.34Å; A337-Y350 HydrophobicContact CB-CE1 4.1Å; A337-Y350 PolarHBondContact N-OH 3.38Å; L348-Y350 HydrophobicContact CB-CE2 4.42Å; Y350-S368 PolarHBondContact N-O 3.09Å; Y350-S368 WeakPolarHBondContact O-CA 3.46Å; Y350-V393 HydrophobicContact CD1-CB 3.75Å; Y350-V393 HydrophobicContact CD1-CG2 3.71Å; Y350-V393 HydrophobicContact CE1-CB 3.94Å; Y350-V393 HydrophobicContact CE1-CG2 3.66Å; Y350-V393 HydrophobicContact CG-CB 4.49Å; Y350-V393 HydrophobicContact CG-CG2 4.17Å |
| 351 | K | 94.6 | Very high | 91.9 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.7 | 177.1 | 64.5 | -165.2 | 175.5 | -174.3 | 0 | 112 | I392 | K351-I392 HydrophobicContact CG-CB 3.94Å; K351-I392 HydrophobicContact CG-CG2 4.36Å; K351-I392 PolarHBondContact N-O 2.66Å; K351-I392 PolarHBondContact O-N 3.06Å |
| 352 | F | 95.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 135.3 | 167.1 | -66.9 | -50.8 | 0 | 0 | 0 | 111.3 | I356 L361 F364 I366 L389 I391 | F352-I356 HydrophobicContact CB-CD1 3.69Å; F352-I356 HydrophobicContact CD1-CD1 3.68Å; F352-I356 HydrophobicContact CD2-CD1 4.11Å; F352-I356 HydrophobicContact CE1-CD1 4.34Å; F352-I356 HydrophobicContact CG-CD1 3.57Å; F352-L361 HydrophobicContact CD2-CD2 3.83Å; F352-L361 HydrophobicContact CE2-CD2 4.41Å; F352-F364 HydrophobicContact CZ-CB 4.05Å; F352-I366 HydrophobicContact CD1-CG2 4.21Å; F352-I366 HydrophobicContact CD2-CG2 4.05Å; F352-I366 HydrophobicContact CE1-CB 4.17Å; F352-I366 HydrophobicContact CE1-CG2 4.11Å; F352-I366 HydrophobicContact CE2-CB 4.43Å; F352-I366 HydrophobicContact CE2-CG2 3.97Å; F352-I366 HydrophobicContact CG-CG2 4.17Å; F352-I366 HydrophobicContact CZ-CB 4.02Å; F352-I366 HydrophobicContact CZ-CG2 3.99Å; F352-L389 HydrophobicContact CE1-CB 4.34Å; F352-L389 HydrophobicContact CE1-CD1 4.17Å; F352-I391 HydrophobicContact CD1-CD1 3.73Å; F352-I391 HydrophobicContact CE1-CD1 3.91Å |
| 353 | G | 92.5 | Very high | 92 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | trans | -73 | 178.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | I356 P390 | G353-I356 WeakPolarHBondContact O-CG2 3.31Å; G353-P390 PolarHBondContact N-O 3.28Å | ||
| 354 | R | 89.2 | Confident | 92.3 | Very high | 233 Ų | 233 | 60.8 Ų | 60.8 | 88% | 0.879 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -134.6 | 139.1 | 175.5 | -66 | -173 | 178.3 | -165.3 | -1.3 | 110.1 | ||
| 355 | P | 90.7 | Very high | 92.6 | Very high | 125 Ų | 125 | 59 Ų | 59 | 81% | 0.812 | 30% | 0.296 | S | S | * | . | S | Bend | cis | -73.3 | 144 | -0.6 | 31.7 | -35.6 | 0 | 0 | 0 | 112.7 | P390 | P355-P390 WeakPolarHBondContact O-CG 3.37Š|
| 356 | I | 91.3 | Very high | 92.8 | Very high | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | trans | -127.1 | 148.1 | 169.5 | -178.7 | 165.4 | 0 | 0 | 0 | 107.7 | F352 G353 L361 L389 P390 | F352-I356 HydrophobicContact CB-CD1 3.69Å; F352-I356 HydrophobicContact CD1-CD1 3.68Å; F352-I356 HydrophobicContact CD2-CD1 4.11Å; F352-I356 HydrophobicContact CE1-CD1 4.34Å; F352-I356 HydrophobicContact CG-CD1 3.57Å; G353-I356 WeakPolarHBondContact O-CG2 3.31Å; I356-L361 HydrophobicContact CD1-CD2 4.12Å; I356-L361 HydrophobicContact CD1-CG 4.47Å; I356-L361 HydrophobicContact CG1-CG 4.44Å; I356-L361 HydrophobicContact CG2-CD1 3.96Å; I356-L361 HydrophobicContact CG2-CD2 3.99Å; I356-L361 HydrophobicContact CG2-CG 3.96Å; I356-L389 HydrophobicContact CD1-CD2 4.26Å; I356-P390 HydrophobicContact CB-CG 4.28Å | ||
| 357 | S | 90.8 | Very high | 93 | Very high | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | -71.9 | 154.2 | -177.9 | 90.8 | 0 | 0 | 0 | 0 | 112 | S360 L361 | S357-S360 WeakPolarHBondContact O-CB 3.21Å; S357-S360 PolarHBondContact O-N 2.93Å; S357-S360 VanDerWaalsContact OG-CB 3.3Å; S357-S360 WeakPolarHBondContact OG-CB 3.49Å; S357-S360 PolarHBondContact OG-N 3.11Å; S357-S360 PolarHBondContact OG-OG 2.85Å; S357-L361 PolarHBondContact O-N 2.79Å | ||
| 358 | Q | 89.9 | Confident | 93.1 | Very high | 123 Ų | 123 | 56.7 Ų | 56.7 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.2 | -45.1 | 175.2 | -178.8 | 60.3 | 24.7 | 0 | 0 | 111 | S360 L361 E362 | Q358-S360 VanDerWaalsContact C-N 3.28Å; Q358-S360 PolarHBondContact O-N 2.86Å; Q358-L361 WeakPolarHBondContact O-CB 3.46Å; Q358-L361 PolarHBondContact O-N 3.11Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.36Å; Q358-E362 PolarHBondContact NE2-OE1 2.99Å; Q358-E362 PolarHBondContact O-N 2.68Å |
| 359 | S | 90.2 | Very high | 93 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.7 | -41.2 | 175 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | L361 E362 H363 N384 F387 | S359-L361 VanDerWaalsContact C-N 3.35Å; S359-L361 PolarHBondContact O-N 2.81Å; S359-E362 PolarHBondContact O-N 3.49Å; S359-E362 VanDerWaalsContact O-N 3.16Å; S359-H363 PolarHBondContact O-N 2.83Å; S359-H363 PolarHBondContact O-ND1 2.88Å; S359-H363 PolarHBondContact OG-CE1 3.11Å; S359-H363 PolarHBondContact OG-ND1 2.95Å; S359-N384 PolarHBondContact OG-OD1 3Å; S359-F387 VanDerWaalsContact OG-CE1 3.3Å; S359-F387 WeakPolarHBondContact OG-CE1 3.3Å |
| 360 | S | 92.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | S357 Q358 E362 F364 L389 | S357-S360 WeakPolarHBondContact O-CB 3.21Å; S357-S360 PolarHBondContact O-N 2.93Å; S357-S360 VanDerWaalsContact OG-CB 3.3Å; S357-S360 WeakPolarHBondContact OG-CB 3.49Å; S357-S360 PolarHBondContact OG-N 3.11Å; S357-S360 PolarHBondContact OG-OG 2.85Å; Q358-S360 VanDerWaalsContact C-N 3.28Å; Q358-S360 PolarHBondContact O-N 2.86Å; S360-E362 VanDerWaalsContact C-N 3.31Å; S360-F364 PolarHBondContact O-N 3.49Å; S360-F364 VanDerWaalsContact O-N 3.11Å; S360-L389 VanDerWaalsContact CB-CD2 3.48Å |
| 361 | L | 91.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 61 Ų | 61 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.6 | -18.5 | 176.8 | -69 | 175.1 | 0 | 0 | 0 | 113.1 | F352 I356 S357 Q358 S359 K376 | F352-L361 HydrophobicContact CD2-CD2 3.83Å; F352-L361 HydrophobicContact CE2-CD2 4.41Å; I356-L361 HydrophobicContact CD1-CD2 4.12Å; I356-L361 HydrophobicContact CD1-CG 4.47Å; I356-L361 HydrophobicContact CG1-CG 4.44Å; I356-L361 HydrophobicContact CG2-CD1 3.96Å; I356-L361 HydrophobicContact CG2-CD2 3.99Å; I356-L361 HydrophobicContact CG2-CG 3.96Å; S357-L361 PolarHBondContact O-N 2.79Å; Q358-L361 WeakPolarHBondContact O-CB 3.46Å; Q358-L361 PolarHBondContact O-N 3.11Å; S359-L361 VanDerWaalsContact C-N 3.35Å; S359-L361 PolarHBondContact O-N 2.81Å; L361-K376 PolarHBondContact O-NZ 2.94Å |
| 362 | E | 92 | Very high | 92.8 | Very high | 90 Ų | 90 | 59 Ų | 59 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -83.2 | -44.7 | 175.4 | -75.6 | 160.5 | 172.5 | 0 | 0 | 111 | Q358 S359 S360 K376 | Q358-E362 WeakPolarHBondContact CG-OE1 3.36Å; Q358-E362 PolarHBondContact NE2-OE1 2.99Å; Q358-E362 PolarHBondContact O-N 2.68Å; S359-E362 PolarHBondContact O-N 3.49Å; S359-E362 VanDerWaalsContact O-N 3.16Å; S360-E362 VanDerWaalsContact C-N 3.31Å; E362-K376 VanDerWaalsContact O-CD 3.29Å; E362-K376 WeakPolarHBondContact O-CD 3.42Å; E362-K376 VanDerWaalsContact O-CE 3.26Å; E362-K376 WeakPolarHBondContact O-CE 3.43Å; E362-K376 WeakPolarHBondContact O-CG 3.5Å |
| 363 | H | 93 | Very high | 92.8 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85 | -24.5 | -175.9 | -64.8 | 92 | 0 | 0 | 0 | 115.4 | S359 K376 A377 F378 L379 F387 | S359-H363 PolarHBondContact O-N 2.83Å; S359-H363 PolarHBondContact O-ND1 2.88Å; S359-H363 PolarHBondContact OG-CE1 3.11Å; S359-H363 PolarHBondContact OG-ND1 2.95Å; H363-K376 WeakPolarHBondContact O-CB 3.32Å; H363-K376 PolarHBondContact O-N 2.83Å; H363-A377 PolarHBondContact O-N 3.15Å; H363-F378 PolarHBondContact CD2-O 2.78Å; H363-F378 PolarHBondContact NE2-O 3.49Å; H363-L379 HydrophobicContact CB-CD2 4.17Å; H363-F387 HydrophobicContact CB-CE1 4.05Å; H363-F387 HydrophobicContact CB-CZ 4.14Å; H363-F387 AromaticContact CG-CE1 3.93Å; H363-F387 AromaticContact CG-CZ 3.8Å; H363-F387 AromaticContact ND1-CE1 3.6Å; H363-F387 AromaticContact ND1-CZ 3.69Å |
| 364 | F | 95.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.6 | -174.4 | -56.8 | -80.3 | 0 | 0 | 0 | 113.9 | I332 F352 S360 I373 Y374 L375 L379 F387 L389 I409 | I332-F364 HydrophobicContact CD1-CE1 4.42Å; I332-F364 HydrophobicContact CG1-CD1 4.25Å; I332-F364 HydrophobicContact CG1-CE1 4.05Å; F352-F364 HydrophobicContact CZ-CB 4.05Å; S360-F364 PolarHBondContact O-N 3.49Å; S360-F364 VanDerWaalsContact O-N 3.11Å; F364-I373 HydrophobicContact CB-CG2 4.09Å; F364-I373 HydrophobicContact CD1-CG2 3.98Å; F364-I373 HydrophobicContact CG-CG2 4.36Å; F364-Y374 WeakPolarHBondContact CA-O 3.26Å; F364-L375 HydrophobicContact CD1-CD1 4.43Å; F364-L375 HydrophobicContact CE1-CD1 3.89Å; F364-L375 HydrophobicContact CZ-CD1 4.38Å; F364-L379 HydrophobicContact CE2-CD2 4.4Å; F364-L379 HydrophobicContact CZ-CD2 3.89Å; F364-F387 HydrophobicContact CD2-CD1 4.28Å; F364-F387 HydrophobicContact CE2-CB 4.04Å; F364-F387 AromaticContact CE2-CD1 3.65Å; F364-F387 HydrophobicContact CE2-CD1 3.65Å; F364-F387 AromaticContact CE2-CD2 3.86Å; F364-F387 HydrophobicContact CE2-CD2 3.86Å; F364-F387 AromaticContact CE2-CE1 3.91Å; F364-F387 HydrophobicContact CE2-CE1 3.91Å; F364-F387 HydrophobicContact CE2-CE2 4.15Å; F364-F387 AromaticContact CE2-CG 3.59Å; F364-F387 HydrophobicContact CE2-CG 3.59Å; F364-F387 HydrophobicContact CE2-CZ 4.16Å; F364-F387 HydrophobicContact CZ-CD2 4.2Å; F364-F387 HydrophobicContact CZ-CE2 4.47Å; F364-F387 HydrophobicContact CZ-CG 4.32Å; F364-L389 HydrophobicContact CB-CD1 4.22Å; F364-L389 HydrophobicContact CD1-CD1 4.48Å; F364-L389 HydrophobicContact CD2-CD1 4.18Å; F364-L389 HydrophobicContact CD2-CD2 4.05Å; F364-L389 HydrophobicContact CG-CD1 4.02Å; F364-I409 HydrophobicContact CD1-CD1 4.11Å; F364-I409 HydrophobicContact CE1-CD1 3.61Å; F364-I409 HydrophobicContact CE2-CD1 4.18Å; F364-I409 HydrophobicContact CZ-CD1 3.64Å; F364-I409 HydrophobicContact CZ-CG2 4.46Å |
| 365 | I | 94.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.2 | 169 | -171.9 | 167.3 | 0 | 0 | 0 | 109.1 | I373 Y374 K376 | I365-I373 CarbonylContact O-C 3.35Å; I365-I373 WeakPolarHBondContact O-CA 3.46Å; I365-Y374 PolarHBondContact N-O 2.79Å; I365-Y374 VanDerWaalsContact N-O 3.11Å; I365-Y374 PolarHBondContact O-N 3.11Å; I365-K376 HydrophobicContact CG2-CB 4.39Å |
| 366 | I | 95.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.113 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.5 | 176.3 | -173.6 | 168.4 | 0 | 0 | 0 | 109.9 | L335 F352 E372 I373 I391 | L335-I366 HydrophobicContact CD1-CD1 4.07Å; F352-I366 HydrophobicContact CD1-CG2 4.21Å; F352-I366 HydrophobicContact CD2-CG2 4.05Å; F352-I366 HydrophobicContact CE1-CB 4.17Å; F352-I366 HydrophobicContact CE1-CG2 4.11Å; F352-I366 HydrophobicContact CE2-CB 4.43Å; F352-I366 HydrophobicContact CE2-CG2 3.97Å; F352-I366 HydrophobicContact CG-CG2 4.17Å; F352-I366 HydrophobicContact CZ-CB 4.02Å; F352-I366 HydrophobicContact CZ-CG2 3.99Å; I366-E372 CarbonylContact C-O 3.46Å; I366-E372 VanDerWaalsContact CA-O 3.32Å; I366-E372 WeakPolarHBondContact CA-O 3.39Å; I366-I373 HydrophobicContact CB-CG1 4.22Å; I366-I373 HydrophobicContact CD1-CG1 4.05Å; I366-I373 HydrophobicContact CG1-CG1 4.05Å; I366-I391 HydrophobicContact CD1-CD1 4.39Å; I366-I391 HydrophobicContact CD1-CG2 3.85Å |
| 367 | D | 94.5 | Very high | 93.2 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | trans | -73.5 | 129.6 | 169.5 | -174.6 | -81.9 | 0 | 0 | 0 | 110 | N369 T370 G371 E372 Y374 | D367-N369 PolarHBondContact O-N 3.25Å; D367-N369 WeakPolarHBondContact OD1-CA 3.44Å; D367-N369 WeakPolarHBondContact OD1-CB 3.17Å; D367-N369 PolarHBondContact OD1-N 2.7Å; D367-N369 PolarHBondContact OD1-ND2 3.01Å; D367-T370 WeakPolarHBondContact CB-OG1 3.43Å; D367-T370 PolarHBondContact OD1-N 2.64Å; D367-G371 PolarHBondContact O-N 3.42Å; D367-E372 PolarHBondContact N-O 3.32Å; D367-Y374 HydrophobicContact CB-CE2 4.21Å | ||
| 368 | S | 94.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.2 | -173.7 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | S349 Y350 | S349-S368 CarbonylContact C-O 3.53Å; S349-S368 WeakPolarHBondContact CA-O 3.1Å; Y350-S368 PolarHBondContact N-O 3.09Å; Y350-S368 WeakPolarHBondContact O-CA 3.46Å |
| 369 | N | 92.4 | Very high | 93.2 | Very high | 112 Ų | 112 | 47 Ų | 47 | 60% | 0.599 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | -41.6 | -173.6 | -38.2 | -83 | 0 | 0 | 0 | 111.4 | D367 | D367-N369 PolarHBondContact O-N 3.25Å; D367-N369 WeakPolarHBondContact OD1-CA 3.44Å; D367-N369 WeakPolarHBondContact OD1-CB 3.17Å; D367-N369 PolarHBondContact OD1-N 2.7Å; D367-N369 PolarHBondContact OD1-ND2 3.01Å |
| 370 | T | 92.8 | Very high | 93.1 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -15.4 | -176.2 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | Q334 D367 E372 | Q334-T370 WeakPolarHBondContact CG-O 3.43Å; Q334-T370 PolarHBondContact NE2-O 2.79Å; D367-T370 WeakPolarHBondContact CB-OG1 3.43Å; D367-T370 PolarHBondContact OD1-N 2.64Å; T370-E372 WeakPolarHBondContact CB-OE2 3.48Å; T370-E372 PolarHBondContact O-N 3.16Å; T370-E372 WeakPolarHBondContact OG1-CB 3.09Å; T370-E372 WeakPolarHBondContact OG1-CG 3.39Å; T370-E372 PolarHBondContact OG1-N 3.11Å; T370-E372 PolarHBondContact OG1-OE2 3.43Å |
| 371 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | 72.9 | 9.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | L335 D367 | L335-G371 WeakPolarHBondContact CB-O 3.12Å; L335-G371 WeakPolarHBondContact CG-O 3.27Å; L335-G371 PolarHBondContact N-O 3.22Å; D367-G371 PolarHBondContact O-N 3.42Å | ||
| 372 | E | 95.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.1 | 177.9 | -71.3 | 170.2 | 84.8 | 0 | 0 | 111.8 | T331 I333 Q334 I366 D367 T370 Y374 | T331-E372 HydrophobicContact CG2-CB 4.05Å; T331-E372 HydrophobicContact CG2-CG 3.99Å; T331-E372 PolarHBondContact OG1-OE1 3Å; I333-E372 WeakPolarHBondContact O-CA 3.32Å; Q334-E372 HydrophobicContact CB-CG 3.9Å; Q334-E372 HydrophobicContact CG-CG 3.85Å; I366-E372 CarbonylContact C-O 3.46Å; I366-E372 VanDerWaalsContact CA-O 3.32Å; I366-E372 WeakPolarHBondContact CA-O 3.39Å; D367-E372 PolarHBondContact N-O 3.32Å; T370-E372 WeakPolarHBondContact CB-OE2 3.48Å; T370-E372 PolarHBondContact O-N 3.16Å; T370-E372 WeakPolarHBondContact OG1-CB 3.09Å; T370-E372 WeakPolarHBondContact OG1-CG 3.39Å; T370-E372 PolarHBondContact OG1-N 3.11Å; T370-E372 PolarHBondContact OG1-OE2 3.43Å; E372-Y374 HydrophobicContact CB-CD2 4.32Å; E372-Y374 HydrophobicContact CB-CE1 4.48Å; E372-Y374 HydrophobicContact CB-CE2 3.6Å; E372-Y374 PolarHBondContact OE1-OH 3.3Å; E372-Y374 PolarHBondContact OE2-OH 3.33Å; E372-Y374 VanDerWaalsContact OE2-OH 3.11Å |
| 373 | I | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.8 | 169.2 | -59.4 | -177.9 | 0 | 0 | 0 | 108.5 | I332 I333 L335 F364 I365 I366 L389 I391 V407 | I332-I373 PolarHBondContact N-O 2.89Å; I333-I373 HydrophobicContact CG2-CB 4.18Å; I333-I373 HydrophobicContact CG2-CD1 4.09Å; I333-I373 HydrophobicContact CG2-CG1 4.26Å; I333-I373 PolarHBondContact O-N 2.88Å; L335-I373 HydrophobicContact CD1-CD1 4.08Å; L335-I373 HydrophobicContact CD1-CG1 4.41Å; F364-I373 HydrophobicContact CB-CG2 4.09Å; F364-I373 HydrophobicContact CD1-CG2 3.98Å; F364-I373 HydrophobicContact CG-CG2 4.36Å; I365-I373 CarbonylContact O-C 3.35Å; I365-I373 WeakPolarHBondContact O-CA 3.46Å; I366-I373 HydrophobicContact CB-CG1 4.22Å; I366-I373 HydrophobicContact CD1-CG1 4.05Å; I366-I373 HydrophobicContact CG1-CG1 4.05Å; I373-L389 HydrophobicContact CD1-CD1 3.95Å; I373-L389 HydrophobicContact CG2-CD1 4.14Å; I373-I391 HydrophobicContact CD1-CD1 3.86Å; I373-V407 HydrophobicContact CD1-CG2 3.99Å |
| 374 | Y | 94.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150.5 | 178.5 | -58.6 | -88.4 | 0 | 0 | 0 | 112.4 | S330 T331 F364 I365 D367 E372 K376 | S330-Y374 CarbonylContact O-C 3.49Å; S330-Y374 VanDerWaalsContact O-CA 3.27Å; S330-Y374 WeakPolarHBondContact O-CA 3.45Å; T331-Y374 HydrophobicContact CG2-CE1 4.41Å; T331-Y374 WeakPolarHBondContact OG1-CE1 3.29Å; F364-Y374 WeakPolarHBondContact CA-O 3.26Å; I365-Y374 PolarHBondContact N-O 2.79Å; I365-Y374 VanDerWaalsContact N-O 3.11Å; I365-Y374 PolarHBondContact O-N 3.11Å; D367-Y374 HydrophobicContact CB-CE2 4.21Å; E372-Y374 HydrophobicContact CB-CD2 4.32Å; E372-Y374 HydrophobicContact CB-CE1 4.48Å; E372-Y374 HydrophobicContact CB-CE2 3.6Å; E372-Y374 PolarHBondContact OE1-OH 3.3Å; E372-Y374 PolarHBondContact OE2-OH 3.33Å; E372-Y374 VanDerWaalsContact OE2-OH 3.11Å; Y374-K376 PolarHBondContact O-N 2.74Å |
| 375 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121.3 | 169.4 | -165.5 | 79.3 | 0 | 0 | 0 | 111.4 | I326 L328 N329 S330 I332 F364 A377 L379 | I326-L375 HydrophobicContact CG2-CD2 3.95Å; I326-L375 WeakPolarHBondContact O-CD2 3.5Å; L328-L375 HydrophobicContact CD2-CD2 4.31Å; N329-L375 VanDerWaalsContact CA-O 3.3Å; N329-L375 WeakPolarHBondContact CA-O 3.44Å; N329-L375 PolarHBondContact N-O 3.4Å; S330-L375 PolarHBondContact O-N 3.47Å; I332-L375 HydrophobicContact CD1-CB 4.17Å; I332-L375 HydrophobicContact CD1-CD1 4.46Å; F364-L375 HydrophobicContact CD1-CD1 4.43Å; F364-L375 HydrophobicContact CE1-CD1 3.89Å; F364-L375 HydrophobicContact CZ-CD1 4.38Å; L375-A377 WeakPolarHBondContact CD1-O 3.5Å; L375-A377 WeakPolarHBondContact CD2-O 3.48Å; L375-A377 VanDerWaalsContact CG-O 3.23Å; L375-A377 WeakPolarHBondContact CG-O 3.41Å; L375-L379 HydrophobicContact CD1-CD1 3.97Å; L375-L379 HydrophobicContact CD1-CD2 3.77Å; L375-L379 HydrophobicContact CD1-CG 3.72Å |
| 376 | K | 92.1 | Very high | 91.2 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | trans | -101.4 | -29.3 | -178.4 | 172.4 | -175.3 | 153.7 | -169.3 | 0 | 113.3 | L361 E362 H363 I365 Y374 | L361-K376 PolarHBondContact O-NZ 2.94Å; E362-K376 VanDerWaalsContact O-CD 3.29Å; E362-K376 WeakPolarHBondContact O-CD 3.42Å; E362-K376 VanDerWaalsContact O-CE 3.26Å; E362-K376 WeakPolarHBondContact O-CE 3.43Å; E362-K376 WeakPolarHBondContact O-CG 3.5Å; H363-K376 WeakPolarHBondContact O-CB 3.32Å; H363-K376 PolarHBondContact O-N 2.83Å; I365-K376 HydrophobicContact CG2-CB 4.39Å; Y374-K376 PolarHBondContact O-N 2.74Å | ||
| 377 | A | 90.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -139 | 154.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L328 H363 L375 | L328-A377 VanDerWaalsContact CD2-C 3.49Å; H363-A377 PolarHBondContact O-N 3.15Å; L375-A377 WeakPolarHBondContact CD1-O 3.5Å; L375-A377 WeakPolarHBondContact CD2-O 3.48Å; L375-A377 VanDerWaalsContact CG-O 3.23Å; L375-A377 WeakPolarHBondContact CG-O 3.41Å |
| 378 | F | 90 | Very high | 91.1 | Very high | 139 Ų | 139 | 57.4 Ų | 57.4 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | trans | -59.6 | 143.6 | 176 | -65.9 | -72.4 | 0 | 0 | 0 | 110.6 | L328 H363 | L328-F378 HydrophobicContact CD1-CD2 4.25Å; L328-F378 HydrophobicContact CD1-CE1 4.12Å; L328-F378 HydrophobicContact CD1-CE2 3.63Å; L328-F378 HydrophobicContact CD1-CZ 3.55Å; L328-F378 HydrophobicContact CD2-CD1 4.25Å; L328-F378 HydrophobicContact CD2-CD2 4.3Å; L328-F378 HydrophobicContact CD2-CE1 4.4Å; L328-F378 HydrophobicContact CD2-CE2 4.45Å; L328-F378 HydrophobicContact CD2-CG 4.21Å; L328-F378 HydrophobicContact CD2-CZ 4.5Å; L328-F378 HydrophobicContact CG-CD1 4.12Å; L328-F378 HydrophobicContact CG-CD2 4.4Å; L328-F378 HydrophobicContact CG-CE1 3.77Å; L328-F378 HydrophobicContact CG-CE2 4.08Å; L328-F378 HydrophobicContact CG-CG 4.42Å; L328-F378 HydrophobicContact CG-CZ 3.76Å; H363-F378 PolarHBondContact CD2-O 2.78Å; H363-F378 PolarHBondContact NE2-O 3.49Å | ||
| 379 | L | 91.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | trans | -86.9 | 163.2 | 177.3 | -58.9 | 171.2 | 0 | 0 | 0 | 110.3 | I322 E324 I326 H363 F364 L375 F387 V411 | I322-L379 HydrophobicContact CD1-CD1 3.46Å; I322-L379 VanDerWaalsContact CD1-CD1 3.46Å; I322-L379 HydrophobicContact CG1-CD1 4Å; E324-L379 HydrophobicContact CB-CB 3.92Å; I326-L379 HydrophobicContact CG2-CD1 3.92Å; H363-L379 HydrophobicContact CB-CD2 4.17Å; F364-L379 HydrophobicContact CE2-CD2 4.4Å; F364-L379 HydrophobicContact CZ-CD2 3.89Å; L375-L379 HydrophobicContact CD1-CD1 3.97Å; L375-L379 HydrophobicContact CD1-CD2 3.77Å; L375-L379 HydrophobicContact CD1-CG 3.72Å; L379-F387 HydrophobicContact CD2-CE2 3.84Å; L379-F387 HydrophobicContact CD2-CZ 4.06Å; L379-V411 HydrophobicContact CB-CG1 4.23Å; L379-V411 HydrophobicContact CD1-CG1 4.29Å; L379-V411 HydrophobicContact CD1-CG2 4.18Å | ||
| 380 | N | 88.3 | Confident | 91.3 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | -142.7 | 117.9 | 165.6 | -179.5 | -82 | 0 | 0 | 0 | 108.3 | E324 K382 E383 N384 | E324-N380 VanDerWaalsContact OE2-CA 3.32Å; E324-N380 WeakPolarHBondContact OE2-CA 3.4Å; N380-K382 PolarHBondContact O-N 2.79Å; N380-K382 WeakPolarHBondContact OD1-CB 3.3Å; N380-K382 PolarHBondContact OD1-N 3.27Å; N380-E383 HydrophobicContact CB-CB 4.29Å; N380-E383 HydrophobicContact CB-CG 4.42Å; N380-E383 PolarHBondContact O-N 3.48Å; N380-E383 PolarHBondContact OD1-N 2.8Å; N380-N384 PolarHBondContact O-N 3.44Å | ||
| 381 | A | 86.6 | Confident | 91.4 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | E324 S385 V411 D413 | E324-A381 WeakPolarHBondContact OE2-CB 2.99Å; E324-A381 PolarHBondContact OE2-N 2.97Å; A381-S385 VanDerWaalsContact O-CA 3.28Å; A381-S385 WeakPolarHBondContact O-CA 3.33Å; A381-S385 VanDerWaalsContact O-CB 3.28Å; A381-S385 WeakPolarHBondContact O-CB 3.34Å; A381-S385 PolarHBondContact O-N 2.83Å; A381-V411 HydrophobicContact CB-CG1 3.93Å; A381-D413 HydrophobicContact CB-CB 4.17Å |
| 382 | K | 84.5 | Confident | 91.5 | Very high | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -37.3 | 179.4 | -179 | 166.1 | 170.6 | 171 | 0 | 113.8 | N380 D472 V474 | N380-K382 PolarHBondContact O-N 2.79Å; N380-K382 WeakPolarHBondContact OD1-CB 3.3Å; N380-K382 PolarHBondContact OD1-N 3.27Å; K382-D472 WeakPolarHBondContact CD-O 3.19Å; K382-D472 VanDerWaalsContact NZ-C 3.31Å; K382-D472 PolarHBondContact NZ-O 2.84Å; K382-D472 IonicContact NZ-OD1 3.69Å; K382-D472 PolarHBondContact NZ-OD1 2.7Å; K382-V474 HydrophobicContact CB-CG2 3.62Å; K382-V474 HydrophobicContact CD-CG2 4.47Å; K382-V474 HydrophobicContact CG-CG2 4.23Å |
| 383 | E | 85 | Confident | 91.5 | Very high | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -43 | 173.7 | -69.5 | -167.9 | 170.1 | 0 | 0 | 112 | N380 | N380-E383 HydrophobicContact CB-CB 4.29Å; N380-E383 HydrophobicContact CB-CG 4.42Å; N380-E383 PolarHBondContact O-N 3.48Å; N380-E383 PolarHBondContact OD1-N 2.8Å |
| 384 | N | 84.8 | Confident | 91.4 | Very high | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | trans | -142.3 | 75.7 | -173.6 | -62.7 | -98.2 | 0 | 0 | 0 | 111.8 | S359 N380 A386 F387 V411 | S359-N384 PolarHBondContact OG-OD1 3Å; N380-N384 PolarHBondContact O-N 3.44Å; N384-A386 PolarHBondContact O-N 2.82Å; N384-F387 HydrophobicContact CB-CD2 4.46Å; N384-F387 HydrophobicContact CB-CE1 4.11Å; N384-F387 HydrophobicContact CB-CE2 3.6Å; N384-F387 HydrophobicContact CB-CZ 3.41Å; N384-F387 VanDerWaalsContact CB-CZ 3.41Å; N384-F387 WeakPolarHBondContact O-CE2 3.19Å; N384-V411 WeakPolarHBondContact O-CG2 3.28Å | ||
| 385 | S | 87.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 48 Ų | 48 | 54% | 0.538 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -65 | -17.7 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 115.1 | A381 V411 | A381-S385 VanDerWaalsContact O-CA 3.28Å; A381-S385 WeakPolarHBondContact O-CA 3.33Å; A381-S385 VanDerWaalsContact O-CB 3.28Å; A381-S385 WeakPolarHBondContact O-CB 3.34Å; A381-S385 PolarHBondContact O-N 2.83Å; S385-V411 PolarHBondContact O-N 2.88Å |
| 386 | A | 91.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 51% | 0.512 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 138.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N384 I409 | N384-A386 PolarHBondContact O-N 2.82Å; A386-I409 CarbonylContact C-O 3.56Å; A386-I409 VanDerWaalsContact CA-O 3.29Å; A386-I409 WeakPolarHBondContact CA-O 3.28Å |
| 387 | F | 93.9 | Very high | 91 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.4 | 172.9 | -65.1 | -99.6 | 0 | 0 | 0 | 110.9 | S359 H363 F364 L379 N384 L389 R408 I409 V411 | S359-F387 VanDerWaalsContact OG-CE1 3.3Å; S359-F387 WeakPolarHBondContact OG-CE1 3.3Å; H363-F387 HydrophobicContact CB-CE1 4.05Å; H363-F387 HydrophobicContact CB-CZ 4.14Å; H363-F387 AromaticContact CG-CE1 3.93Å; H363-F387 AromaticContact CG-CZ 3.8Å; H363-F387 AromaticContact ND1-CE1 3.6Å; H363-F387 AromaticContact ND1-CZ 3.69Å; F364-F387 HydrophobicContact CD2-CD1 4.28Å; F364-F387 HydrophobicContact CE2-CB 4.04Å; F364-F387 AromaticContact CE2-CD1 3.65Å; F364-F387 HydrophobicContact CE2-CD1 3.65Å; F364-F387 AromaticContact CE2-CD2 3.86Å; F364-F387 HydrophobicContact CE2-CD2 3.86Å; F364-F387 AromaticContact CE2-CE1 3.91Å; F364-F387 HydrophobicContact CE2-CE1 3.91Å; F364-F387 HydrophobicContact CE2-CE2 4.15Å; F364-F387 AromaticContact CE2-CG 3.59Å; F364-F387 HydrophobicContact CE2-CG 3.59Å; F364-F387 HydrophobicContact CE2-CZ 4.16Å; F364-F387 HydrophobicContact CZ-CD2 4.2Å; F364-F387 HydrophobicContact CZ-CE2 4.47Å; F364-F387 HydrophobicContact CZ-CG 4.32Å; L379-F387 HydrophobicContact CD2-CE2 3.84Å; L379-F387 HydrophobicContact CD2-CZ 4.06Å; N384-F387 HydrophobicContact CB-CD2 4.46Å; N384-F387 HydrophobicContact CB-CE1 4.11Å; N384-F387 HydrophobicContact CB-CE2 3.6Å; N384-F387 HydrophobicContact CB-CZ 3.41Å; N384-F387 VanDerWaalsContact CB-CZ 3.41Å; N384-F387 WeakPolarHBondContact O-CE2 3.19Å; F387-L389 HydrophobicContact CB-CD2 4.47Å; F387-R408 WeakPolarHBondContact O-CA 3.48Å; F387-I409 HydrophobicContact CB-CB 4.33Å; F387-I409 PolarHBondContact N-O 3.33Å; F387-I409 PolarHBondContact O-N 3.42Å; F387-V411 HydrophobicContact CD2-CG2 3.94Å; F387-V411 HydrophobicContact CE2-CG2 3.8Å |
| 388 | I | 93.5 | Very high | 90.7 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 55% | 0.549 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.3 | 174.8 | -57.1 | 179.6 | 0 | 0 | 0 | 107.8 | P390 V406 | I388-P390 WeakPolarHBondContact O-CD 3.23Å; I388-V406 HydrophobicContact CG2-CG1 3.54Å |
| 389 | L | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 98.8 | 179.7 | -47.8 | -178.6 | 0 | 0 | 0 | 108.6 | F352 I356 S360 F364 I373 F387 I391 V407 I409 | F352-L389 HydrophobicContact CE1-CB 4.34Å; F352-L389 HydrophobicContact CE1-CD1 4.17Å; I356-L389 HydrophobicContact CD1-CD2 4.26Å; S360-L389 VanDerWaalsContact CB-CD2 3.48Å; F364-L389 HydrophobicContact CB-CD1 4.22Å; F364-L389 HydrophobicContact CD1-CD1 4.48Å; F364-L389 HydrophobicContact CD2-CD1 4.18Å; F364-L389 HydrophobicContact CD2-CD2 4.05Å; F364-L389 HydrophobicContact CG-CD1 4.02Å; I373-L389 HydrophobicContact CD1-CD1 3.95Å; I373-L389 HydrophobicContact CG2-CD1 4.14Å; F387-L389 HydrophobicContact CB-CD2 4.47Å; L389-I391 HydrophobicContact CB-CD1 3.89Å; L389-I391 PolarHBondContact O-N 2.93Å; L389-V407 HydrophobicContact CB-CB 4.25Å; L389-V407 PolarHBondContact N-O 2.74Å; L389-V407 PolarHBondContact O-N 2.87Å; L389-I409 HydrophobicContact CD1-CD1 3.59Å; L389-I409 HydrophobicContact CG-CD1 4.28Å |
| 390 | P | 95.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 54 Ų | 54 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.2 | 167.9 | 28.1 | -30.7 | 0 | 0 | 0 | 108.3 | G353 P355 I356 I388 | G353-P390 PolarHBondContact N-O 3.28Å; P355-P390 WeakPolarHBondContact O-CG 3.37Å; I356-P390 HydrophobicContact CB-CG 4.28Å; I388-P390 WeakPolarHBondContact O-CD 3.23Å |
| 391 | I | 95.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.8 | -179.6 | -43 | -62.2 | 0 | 0 | 0 | 108.9 | F313 L335 F352 I366 I373 L389 Q404 T405 V407 | F313-I391 HydrophobicContact CZ-CB 4.31Å; F313-I391 HydrophobicContact CZ-CG2 3.94Å; L335-I391 HydrophobicContact CD1-CB 4.17Å; L335-I391 HydrophobicContact CD1-CD1 4.29Å; L335-I391 HydrophobicContact CD1-CG1 3.73Å; L335-I391 HydrophobicContact CD1-CG2 3.74Å; F352-I391 HydrophobicContact CD1-CD1 3.73Å; F352-I391 HydrophobicContact CE1-CD1 3.91Å; I366-I391 HydrophobicContact CD1-CD1 4.39Å; I366-I391 HydrophobicContact CD1-CG2 3.85Å; I373-I391 HydrophobicContact CD1-CD1 3.86Å; L389-I391 HydrophobicContact CB-CD1 3.89Å; L389-I391 PolarHBondContact O-N 2.93Å; I391-Q404 WeakPolarHBondContact O-CA 3.3Å; I391-T405 HydrophobicContact CB-CG2 3.89Å; I391-T405 HydrophobicContact CG1-CG2 4.24Å; I391-T405 PolarHBondContact N-O 2.83Å; I391-T405 PolarHBondContact O-N 2.75Å; I391-T405 VanDerWaalsContact O-N 3.11Å; I391-V407 HydrophobicContact CD1-CG2 4.26Å; I391-V407 HydrophobicContact CG1-CG2 3.8Å |
| 392 | I | 95.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.1 | 170.1 | -60.5 | -178.8 | 0 | 0 | 0 | 107.3 | K351 V402 G403 Q404 | K351-I392 HydrophobicContact CG-CB 3.94Å; K351-I392 HydrophobicContact CG-CG2 4.36Å; K351-I392 PolarHBondContact N-O 2.66Å; K351-I392 PolarHBondContact O-N 3.06Å; I392-V402 HydrophobicContact CG2-CG1 3.36Å; I392-G403 WeakPolarHBondContact CA-O 3.42Å; I392-Q404 HydrophobicContact CG1-CG 4.35Å |
| 393 | V | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.2 | 162.9 | 62.5 | 0 | 0 | 0 | 0 | 107.5 | P311 F313 A337 L348 S349 Y350 V402 G403 | P311-V393 HydrophobicContact CB-CB 4.45Å; P311-V393 HydrophobicContact CB-CG1 3.5Å; P311-V393 VanDerWaalsContact CB-CG1 3.5Å; P311-V393 HydrophobicContact CB-CG2 4.27Å; P311-V393 HydrophobicContact CG-CG1 4.39Å; F313-V393 HydrophobicContact CD2-CG1 4.06Å; F313-V393 HydrophobicContact CE1-CB 4.46Å; F313-V393 HydrophobicContact CE1-CG1 4.2Å; F313-V393 HydrophobicContact CE2-CB 4.11Å; F313-V393 HydrophobicContact CE2-CG1 3.37Å; F313-V393 HydrophobicContact CZ-CB 3.72Å; F313-V393 HydrophobicContact CZ-CG1 3.45Å; F313-V393 VanDerWaalsContact CZ-CG1 3.45Å; A337-V393 HydrophobicContact CB-CG1 3.99Å; A337-V393 HydrophobicContact CB-CG2 4.48Å; L348-V393 HydrophobicContact CB-CG2 3.91Å; L348-V393 HydrophobicContact CD1-CG2 4.33Å; L348-V393 HydrophobicContact CD2-CG2 4.13Å; L348-V393 HydrophobicContact CG-CG2 4.36Å; S349-V393 WeakPolarHBondContact O-CA 2.99Å; Y350-V393 HydrophobicContact CD1-CB 3.75Å; Y350-V393 HydrophobicContact CD1-CG2 3.71Å; Y350-V393 HydrophobicContact CE1-CB 3.94Å; Y350-V393 HydrophobicContact CE1-CG2 3.66Å; Y350-V393 HydrophobicContact CG-CB 4.49Å; Y350-V393 HydrophobicContact CG-CG2 4.17Å; V393-V402 WeakPolarHBondContact O-CA 3.41Å; V393-G403 PolarHBondContact N-O 3.35Å; V393-G403 PolarHBondContact O-N 3.31Å |
| 394 | Q | 93.7 | Very high | 91.9 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.1 | 176.4 | 65.5 | -179 | 23 | 0 | 0 | 108 | L348 S349 L401 V402 | L348-Q394 CarbonylContact C-O 3.57Å; L348-Q394 WeakPolarHBondContact CA-O 3.25Å; S349-Q394 PolarHBondContact N-O 3.17Å; S349-Q394 PolarHBondContact O-N 2.88Å; S349-Q394 WeakPolarHBondContact OG-CG 3.14Å; S349-Q394 PolarHBondContact OG-NE2 3.37Å; S349-Q394 PolarHBondContact OG-O 3.33Å; Q394-L401 VanDerWaalsContact CA-O 3.29Å; Q394-L401 WeakPolarHBondContact CA-O 3.47Å; Q394-V402 HydrophobicContact CB-CG2 4.44Å |
| 395 | D | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -74.2 | -167.6 | 166.7 | 58.4 | 63.9 | 0 | 0 | 0 | 112.4 | N307 P311 N345 K347 G397 P400 L401 | N307-D395 PolarHBondContact ND2-OD2 2.84Å; N307-D395 PolarHBondContact OD1-OD1 2.83Å; P311-D395 HydrophobicContact CG-CB 4.4Å; N345-D395 WeakPolarHBondContact O-CB 3.39Å; K347-D395 CarbonylContact O-C 3.56Å; K347-D395 VanDerWaalsContact O-C 3.24Å; K347-D395 WeakPolarHBondContact O-CA 3.49Å; D395-G397 PolarHBondContact OD1-N 2.76Å; D395-P400 WeakPolarHBondContact OD1-CA 3.41Å; D395-P400 WeakPolarHBondContact OD1-CB 3.41Å; D395-L401 PolarHBondContact N-O 3.2Å; D395-L401 VanDerWaalsContact OD2-CA 3.25Å; D395-L401 WeakPolarHBondContact OD2-CA 3.5Å; D395-L401 WeakPolarHBondContact OD2-CB 3.44Å; D395-L401 PolarHBondContact OD2-N 3.08Å | ||
| 396 | S | 92 | Very high | 92.8 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | trans | -119.3 | 23.5 | 172.5 | -53 | 0 | 0 | 0 | 0 | 112.9 | Q344 K347 | Q344-S396 CarbonylContact O-C 3.6Å; Q344-S396 WeakPolarHBondContact O-CA 3.46Å; Q344-S396 WeakPolarHBondContact O-CB 3.47Å; Q344-S396 PolarHBondContact O-N 2.86Å; Q344-S396 VanDerWaalsContact O-N 3.11Å; K347-S396 PolarHBondContact O-N 2.91Å; K347-S396 VanDerWaalsContact O-N 3.09Å; K347-S396 PolarHBondContact O-OG 2.95Å | ||
| 397 | G | 86.9 | Confident | 93 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -68.4 | 171.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | N307 N345 D395 L399 P400 | N307-G397 VanDerWaalsContact OD1-CA 3.24Å; N307-G397 WeakPolarHBondContact OD1-CA 3.12Å; N345-G397 WeakPolarHBondContact OD1-CA 3.31Å; D395-G397 PolarHBondContact OD1-N 2.76Å; G397-L399 VanDerWaalsContact C-N 3.26Å; G397-L399 PolarHBondContact O-N 2.83Å; G397-P400 WeakPolarHBondContact O-CD 3.29Å |
| 398 | I | 84.2 | Confident | 93 | Very high | 160 Ų | 160 | 51.7 Ų | 51.7 | 82% | 0.821 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.4 | -30.7 | -178.2 | -61.3 | 176.1 | 0 | 0 | 0 | 111.6 | ||
| 399 | L | 87.3 | Confident | 93.1 | Very high | 142 Ų | 142 | 46.7 Ų | 46.7 | 74% | 0.743 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -126.8 | 82.1 | 172.2 | -69.3 | 176.5 | 0 | 0 | 0 | 108 | G397 L401 | G397-L399 VanDerWaalsContact C-N 3.26Å; G397-L399 PolarHBondContact O-N 2.83Å; L399-L401 PolarHBondContact O-N 2.69Å |
| 400 | P | 89.7 | Confident | 93 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | trans | -69.3 | 129.2 | -162.1 | 25.5 | -34.4 | 0 | 0 | 0 | 112.7 | D395 G397 | D395-P400 WeakPolarHBondContact OD1-CA 3.41Å; D395-P400 WeakPolarHBondContact OD1-CB 3.41Å; G397-P400 WeakPolarHBondContact O-CD 3.29Å | ||
| 401 | L | 92.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | trans | -89.4 | 167.6 | 176.1 | -62.3 | 179.4 | 0 | 0 | 0 | 110.3 | N307 N309 K310 Q394 D395 L399 | N307-L401 WeakPolarHBondContact O-CD1 3.38Å; N309-L401 WeakPolarHBondContact O-CD1 3.27Å; K310-L401 HydrophobicContact CB-CB 3.7Å; K310-L401 HydrophobicContact CB-CD1 4.4Å; Q394-L401 VanDerWaalsContact CA-O 3.29Å; Q394-L401 WeakPolarHBondContact CA-O 3.47Å; D395-L401 PolarHBondContact N-O 3.2Å; D395-L401 VanDerWaalsContact OD2-CA 3.25Å; D395-L401 WeakPolarHBondContact OD2-CA 3.5Å; D395-L401 WeakPolarHBondContact OD2-CB 3.44Å; D395-L401 PolarHBondContact OD2-N 3.08Å; L399-L401 PolarHBondContact O-N 2.69Å | ||
| 402 | V | 93.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 119.7 | -156.5 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | I392 V393 Q394 Q404 | I392-V402 HydrophobicContact CG2-CG1 3.36Å; V393-V402 WeakPolarHBondContact O-CA 3.41Å; Q394-V402 HydrophobicContact CB-CG2 4.44Å; V402-Q404 HydrophobicContact CG1-CG 4.36Å |
| 403 | G | 93.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 151.4 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | P311 I392 V393 | P311-G403 WeakPolarHBondContact O-CA 3.47Å; I392-G403 WeakPolarHBondContact CA-O 3.42Å; V393-G403 PolarHBondContact N-O 3.35Å; V393-G403 PolarHBondContact O-N 3.31Å |
| 404 | Q | 94.2 | Very high | 92.1 | Very high | 142 Ų | 142 | 54.2 Ų | 54.2 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.1 | -179.6 | -58.5 | -171.9 | 3.5 | 0 | 0 | 111.8 | I391 I392 V402 | I391-Q404 WeakPolarHBondContact O-CA 3.3Å; I392-Q404 HydrophobicContact CG1-CG 4.35Å; V402-Q404 HydrophobicContact CG1-CG 4.36Å |
| 405 | T | 94.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 174.8 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | F313 Q315 S316 Y318 I391 | F313-T405 HydrophobicContact CB-CG2 4.4Å; F313-T405 HydrophobicContact CD1-CG2 3.68Å; F313-T405 VanDerWaalsContact CD2-CB 3.48Å; F313-T405 HydrophobicContact CD2-CG2 3.49Å; F313-T405 VanDerWaalsContact CD2-CG2 3.49Å; F313-T405 HydrophobicContact CE1-CG2 3.65Å; F313-T405 HydrophobicContact CE2-CG2 3.43Å; F313-T405 VanDerWaalsContact CE2-CG2 3.43Å; F313-T405 HydrophobicContact CG-CG2 3.6Å; F313-T405 HydrophobicContact CZ-CG2 3.53Å; Q315-T405 PolarHBondContact O-OG1 3.4Å; S316-T405 VanDerWaalsContact C-OG1 3.27Å; S316-T405 PolarHBondContact O-OG1 3.05Å; S316-T405 VanDerWaalsContact O-OG1 3.11Å; Y318-T405 HydrophobicContact CD2-CG2 4.17Å; Y318-T405 HydrophobicContact CE2-CG2 3.81Å; Y318-T405 WeakPolarHBondContact CE2-OG1 3.17Å; I391-T405 HydrophobicContact CB-CG2 3.89Å; I391-T405 HydrophobicContact CG1-CG2 4.24Å; I391-T405 PolarHBondContact N-O 2.83Å; I391-T405 PolarHBondContact O-N 2.75Å; I391-T405 VanDerWaalsContact O-N 3.11Å |
| 406 | V | 94.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | S316 V317 Y318 I388 R408 | S316-V406 PolarHBondContact O-N 2.77Å; V317-V406 CarbonylContact C-O 3.52Å; V317-V406 VanDerWaalsContact CA-O 3.25Å; V317-V406 WeakPolarHBondContact CA-O 3.42Å; V317-V406 WeakPolarHBondContact CG1-O 3.38Å; Y318-V406 PolarHBondContact N-O 3.04Å; I388-V406 HydrophobicContact CG2-CG1 3.54Å; V406-R408 HydrophobicContact CG1-CG 4.13Å |
| 407 | V | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.7 | 167.4 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | Y318 I320 I333 L335 I373 L389 I391 I409 | Y318-V407 HydrophobicContact CD2-CG2 4.28Å; Y318-V407 CarbonylContact O-C 3.6Å; Y318-V407 WeakPolarHBondContact O-CA 3.32Å; I320-V407 HydrophobicContact CD1-CG1 3.44Å; I320-V407 VanDerWaalsContact CD1-CG1 3.44Å; I320-V407 HydrophobicContact CG1-CG1 4.19Å; I333-V407 HydrophobicContact CG2-CG1 4.37Å; L335-V407 HydrophobicContact CD1-CG2 4.22Å; L335-V407 HydrophobicContact CD2-CG2 3.72Å; I373-V407 HydrophobicContact CD1-CG2 3.99Å; L389-V407 HydrophobicContact CB-CB 4.25Å; L389-V407 PolarHBondContact N-O 2.74Å; L389-V407 PolarHBondContact O-N 2.87Å; I391-V407 HydrophobicContact CD1-CG2 4.26Å; I391-V407 HydrophobicContact CG1-CG2 3.8Å; V407-I409 HydrophobicContact CG1-CD1 4.48Å; V407-I409 HydrophobicContact CG1-CG1 3.95Å |
| 408 | R | 95 | Very high | 91.5 | Very high | 112 Ų | 112 | 60.2 Ų | 60.2 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.1 | 172 | -59.9 | -172.1 | -63 | -153.6 | -1.8 | 108.3 | V317 Y318 D319 I320 F387 V406 | V317-R408 HydrophobicContact CG1-CG 4.13Å; Y318-R408 PolarHBondContact O-N 2.86Å; D319-R408 WeakPolarHBondContact OD1-CB 3.21Å; D319-R408 IonicContact OD1-CZ 2.77Å; D319-R408 IonicContact OD1-NE 2.95Å; D319-R408 PolarHBondContact OD1-NE 3.01Å; D319-R408 IonicContact OD1-NH2 2.77Å; D319-R408 PolarHBondContact OD1-NH2 3.46Å; D319-R408 IonicContact OD2-CZ 3.76Å; D319-R408 IonicContact OD2-NH2 2.67Å; D319-R408 PolarHBondContact OD2-NH2 3.33Å; I320-R408 PolarHBondContact N-O 3.18Å; F387-R408 WeakPolarHBondContact O-CA 3.48Å; V406-R408 HydrophobicContact CG1-CG 4.13Å |
| 409 | I | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.7 | -179.5 | -57.1 | 171.2 | 0 | 0 | 0 | 107.3 | I320 I322 I332 F364 A386 F387 L389 V407 | I320-I409 HydrophobicContact CD1-CG1 4.39Å; I320-I409 WeakPolarHBondContact O-CA 3.35Å; I322-I409 HydrophobicContact CD1-CG2 3.43Å; I322-I409 VanDerWaalsContact CD1-CG2 3.43Å; I322-I409 HydrophobicContact CG1-CG2 3.67Å; I332-I409 HydrophobicContact CG2-CD1 4.01Å; I332-I409 HydrophobicContact CG2-CG1 4.45Å; F364-I409 HydrophobicContact CD1-CD1 4.11Å; F364-I409 HydrophobicContact CE1-CD1 3.61Å; F364-I409 HydrophobicContact CE2-CD1 4.18Å; F364-I409 HydrophobicContact CZ-CD1 3.64Å; F364-I409 HydrophobicContact CZ-CG2 4.46Å; A386-I409 CarbonylContact C-O 3.56Å; A386-I409 VanDerWaalsContact CA-O 3.29Å; A386-I409 WeakPolarHBondContact CA-O 3.28Å; F387-I409 HydrophobicContact CB-CB 4.33Å; F387-I409 PolarHBondContact N-O 3.33Å; F387-I409 PolarHBondContact O-N 3.42Å; L389-I409 HydrophobicContact CD1-CD1 3.59Å; L389-I409 HydrophobicContact CG-CD1 4.28Å; V407-I409 HydrophobicContact CG1-CD1 4.48Å; V407-I409 HydrophobicContact CG1-CG1 3.95Å |
| 410 | T | 93.7 | Very high | 92.1 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.7 | 169.4 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | I320 E321 I322 | I320-T410 PolarHBondContact O-N 2.99Å; E321-T410 WeakPolarHBondContact CA-O 3.43Å; I322-T410 PolarHBondContact N-O 2.93Å |
| 411 | V | 92.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.1 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I322 E324 L379 A381 N384 S385 F387 | I322-V411 CarbonylContact O-C 3.56Å; I322-V411 WeakPolarHBondContact O-CA 3.49Å; E324-V411 HydrophobicContact CB-CG1 3.64Å; L379-V411 HydrophobicContact CB-CG1 4.23Å; L379-V411 HydrophobicContact CD1-CG1 4.29Å; L379-V411 HydrophobicContact CD1-CG2 4.18Å; A381-V411 HydrophobicContact CB-CG1 3.93Å; N384-V411 WeakPolarHBondContact O-CG2 3.28Å; S385-V411 PolarHBondContact O-N 2.88Å; F387-V411 HydrophobicContact CD2-CG2 3.94Å; F387-V411 HydrophobicContact CE2-CG2 3.8Å |
| 412 | K | 90.3 | Very high | 92 | Very high | 88 Ų | 88 | 47 Ų | 47 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.3 | 174.1 | -78.8 | -176 | 169.9 | 172.9 | 0 | 110.2 | E321 I322 L323 E324 | E321-K412 HydrophobicContact CB-CD 4.33Å; E321-K412 WeakPolarHBondContact OE1-CE 3.48Å; E321-K412 IonicContact OE1-NZ 3.13Å; E321-K412 PolarHBondContact OE1-NZ 2.94Å; E321-K412 IonicContact OE2-NZ 3.88Å; E321-K412 PolarHBondContact OE2-NZ 3.18Å; I322-K412 PolarHBondContact O-N 3.06Å; L323-K412 WeakPolarHBondContact CA-O 3.41Å; L323-K412 HydrophobicContact CD2-CB 3.95Å; E324-K412 PolarHBondContact N-O 3.41Å |
| 413 | D | 90.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 144.6 | 179 | -163.2 | 84.8 | 0 | 0 | 0 | 111.8 | E324 A381 V474 N477 | E324-D413 VanDerWaalsContact OE1-CA 3.23Å; E324-D413 WeakPolarHBondContact OE1-CA 3.41Å; A381-D413 HydrophobicContact CB-CB 4.17Å; D413-V474 HydrophobicContact CB-CB 4.16Å; D413-V474 VanDerWaalsContact CG-N 3.3Å; D413-V474 WeakPolarHBondContact OD1-CA 3.24Å; D413-V474 WeakPolarHBondContact OD1-CB 3.23Å; D413-V474 VanDerWaalsContact OD1-CG2 3.27Å; D413-V474 WeakPolarHBondContact OD1-CG2 3.04Å; D413-V474 PolarHBondContact OD1-N 3.34Å; D413-V474 PolarHBondContact OD2-N 2.84Å; D413-N477 WeakPolarHBondContact OD2-CB 3.45Å; D413-N477 PolarHBondContact OD2-ND2 3.33Å |
| 414 | T | 89.3 | Confident | 91.3 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | trans | -122.2 | 144.2 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 108.1 | E324 N325 D416 | E324-T414 PolarHBondContact OE1-N 2.95Å; N325-T414 HydrophobicContact CB-CG2 4.27Å; N325-T414 WeakPolarHBondContact ND2-CG2 3.26Å; T414-D416 HydrophobicContact CG2-CB 4.45Å; T414-D416 VanDerWaalsContact O-CB 3.24Å; T414-D416 WeakPolarHBondContact O-CB 3.27Å; T414-D416 PolarHBondContact O-N 3.19Å | ||
| 415 | N | 90.1 | Very high | 90.4 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -74.5 | 76.8 | -178.9 | -152.4 | 97.5 | 0 | 0 | 0 | 111.4 | D473 N477 D531 G533 R537 | N415-D473 VanDerWaalsContact C-OD2 3.26Å; N415-D473 WeakPolarHBondContact CA-OD2 3.3Å; N415-N477 HydrophobicContact CB-CB 4.46Å; N415-N477 PolarHBondContact N-ND2 2.79Å; N415-N477 WeakPolarHBondContact OD1-CA 3.41Å; N415-N477 WeakPolarHBondContact OD1-CB 2.95Å; N415-N477 PolarHBondContact OD1-OD1 2.64Å; N415-D531 PolarHBondContact ND2-OD2 2.78Å; N415-G533 WeakPolarHBondContact OD1-CA 3.46Å; N415-R537 WeakPolarHBondContact ND2-CD 3.36Å; N415-R537 VanDerWaalsContact O-CD 3.29Å; N415-R537 WeakPolarHBondContact O-CD 3.47Å; N415-R537 PolarHBondContact O-NH1 3.36Å |
| 416 | D | 87.4 | Confident | 89.2 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | trans | -110.8 | -24.4 | -155.6 | 160.7 | -85.9 | 0 | 0 | 0 | 112 | T414 D473 R537 | T414-D416 HydrophobicContact CG2-CB 4.45Å; T414-D416 VanDerWaalsContact O-CB 3.24Å; T414-D416 WeakPolarHBondContact O-CB 3.27Å; T414-D416 PolarHBondContact O-N 3.19Å; D416-D473 PolarHBondContact N-OD1 2.77Å; D416-D473 PolarHBondContact N-OD2 2.8Å; D416-R537 VanDerWaalsContact CA-NH1 3.26Å; D416-R537 PolarHBondContact O-NH1 3.47Å; D416-R537 PolarHBondContact O-NH2 3.18Å | ||
| 417 | H | 86.7 | Confident | 87.4 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.3 | 174.6 | 166.9 | -62.9 | 75.3 | 0 | 0 | 0 | 112.3 | D472 D473 R537 | H417-D472 HydrophobicContact CB-CB 4.17Å; H417-D473 WeakPolarHBondContact CB-OD1 3.13Å; H417-D473 IonicContact CE1-OD1 2.68Å; H417-D473 IonicContact CG-OD1 3.54Å; H417-D473 PolarHBondContact N-OD1 2.73Å; H417-D473 PolarHBondContact N-OD2 2.8Å; H417-D473 IonicContact ND1-OD1 2.78Å; H417-D473 PolarHBondContact ND1-OD1 2.86Å; H417-R537 WeakPolarHBondContact O-CD 3.14Å; H417-R537 PolarHBondContact O-NE 3.48Å; H417-R537 PolarHBondContact O-NH1 2.96Å; H417-R537 PolarHBondContact O-NH2 3.45Å |
| 418 | D | 89.8 | Confident | 84.8 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | trans | -119.2 | 147.2 | 168.4 | -66.9 | -71.1 | 0 | 0 | 0 | 108.5 | W420 D471 R537 | D418-W420 PolarHBondContact O-N 2.66Å; D418-D471 VanDerWaalsContact C-OD2 3.28Å; D418-R537 WeakPolarHBondContact OD1-CB 3.12Å; D418-R537 IonicContact OD1-CZ 3.22Å; D418-R537 IonicContact OD1-NE 2.86Å; D418-R537 PolarHBondContact OD1-NE 3.18Å; D418-R537 IonicContact OD1-NH2 2.88Å; D418-R537 PolarHBondContact OD1-NH2 3.32Å; D418-R537 IonicContact OD2-CZ 3.69Å; D418-R537 IonicContact OD2-NE 3.68Å; D418-R537 IonicContact OD2-NH2 2.66Å; D418-R537 PolarHBondContact OD2-NH2 2.98Å | ||
| 419 | P | 92.8 | Very high | 81.8 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | trans | -56.7 | 122.1 | 179.3 | -28.9 | 34.5 | 0 | 0 | 0 | 112.1 | G470 D471 V480 C529 D531 S539 | P419-G470 CarbonylContact C-O 3.58Å; P419-G470 WeakPolarHBondContact CA-O 3.21Å; P419-D471 VanDerWaalsContact CA-OD2 3.25Å; P419-D471 WeakPolarHBondContact CA-OD2 3.25Å; P419-D471 WeakPolarHBondContact CD-OD2 3.37Å; P419-D471 VanDerWaalsContact CG-OD2 3.31Å; P419-D471 WeakPolarHBondContact CG-OD2 3.33Å; P419-V480 HydrophobicContact CB-CG1 3.92Å; P419-V480 HydrophobicContact CB-CG2 3.86Å; P419-V480 HydrophobicContact CG-CG1 4.46Å; P419-V480 HydrophobicContact CG-CG2 4.2Å; P419-C529 HydrophobicContact CB-CB 4.15Å; P419-D531 HydrophobicContact CG-CB 4.15Å; P419-S539 WeakPolarHBondContact O-CB 3.38Å; P419-S539 PolarHBondContact O-OG 3.38Å | ||
| 420 | W | 91.9 | Very high | 78.6 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 27% | 0.265 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 153.5 | 176.5 | 58.9 | -99.2 | 0 | 0 | 0 | 111.5 | D418 D422 I468 S469 G470 R502 | D418-W420 PolarHBondContact O-N 2.66Å; W420-D422 HydrophobicContact CE3-CB 4.38Å; W420-D422 HydrophobicContact CZ3-CB 4.04Å; W420-I468 HydrophobicContact CH2-CG2 4.02Å; W420-I468 HydrophobicContact CZ3-CG2 4.05Å; W420-I468 WeakPolarHBondContact CZ3-O 3Å; W420-S469 VanDerWaalsContact O-CA 3.23Å; W420-S469 WeakPolarHBondContact O-CA 3.36Å; W420-S469 WeakPolarHBondContact O-CB 3.02Å; W420-G470 VanDerWaalsContact CD1-O 3.26Å; W420-G470 PolarHBondContact N-O 3.07Å; W420-G470 PolarHBondContact NE1-O 2.73Å; W420-G470 PolarHBondContact O-N 3.34Å; W420-R502 HydrophobicContact CH2-CG 3.88Å; W420-R502 HydrophobicContact CZ2-CG 4Å |
| 421 | I | 91.3 | Very high | 75.6 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121 | -178.1 | -50.7 | 178.4 | 0 | 0 | 0 | 109.3 | I423 I467 I527 C529 S539 Q541 | I421-I423 HydrophobicContact CG2-CD1 4.33Å; I421-I423 HydrophobicContact CG2-CG1 4.07Å; I421-I467 HydrophobicContact CG2-CG2 3.97Å; I421-I527 HydrophobicContact CD1-CG2 4.27Å; I421-C529 HydrophobicContact CD1-CB 3.96Å; I421-C529 VanDerWaalsContact CD1-SG 3.54Å; I421-C529 HydrophobicContact CG1-CB 4.18Å; I421-S539 WeakPolarHBondContact CD1-OG 3.08Å; I421-Q541 HydrophobicContact CB-CB 4.28Å; I421-Q541 HydrophobicContact CD1-CB 3.78Å; I421-Q541 HydrophobicContact CG2-CB 4.21Å; I421-Q541 HydrophobicContact CG2-CG 4.46Å |
| 422 | D | 88.7 | Confident | 72.6 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.8 | 170.3 | 171.7 | 28.5 | 0 | 0 | 0 | 108.8 | W420 R424 I468 | W420-D422 HydrophobicContact CE3-CB 4.38Å; W420-D422 HydrophobicContact CZ3-CB 4.04Å; D422-R424 IonicContact OD1-NE 3.89Å; D422-R424 IonicContact OD2-CZ 3.98Å; D422-R424 IonicContact OD2-NE 3.66Å; D422-R424 PolarHBondContact OD2-NE 2.98Å; D422-R424 IonicContact OD2-NH2 2.71Å; D422-R424 PolarHBondContact OD2-NH2 2.75Å; D422-I468 HydrophobicContact CB-CB 4.28Å; D422-I468 PolarHBondContact N-O 2.99Å; D422-I468 PolarHBondContact O-N 2.79Å |
| 423 | I | 87.8 | Confident | 69.7 | Low | 33 Ų | 33 | 80.5 Ų | 80.5 | 17% | 0.169 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.8 | -173.5 | -62.9 | 171.8 | 0 | 0 | 0 | 108.9 | I421 A450 L452 I467 I527 Q541 I543 | I421-I423 HydrophobicContact CG2-CD1 4.33Å; I421-I423 HydrophobicContact CG2-CG1 4.07Å; I423-A450 HydrophobicContact CB-CB 4.25Å; I423-A450 HydrophobicContact CD1-CB 3.75Å; I423-A450 HydrophobicContact CG2-CB 4.21Å; I423-L452 HydrophobicContact CG2-CD1 4.15Å; I423-I467 HydrophobicContact CG1-CG1 4.38Å; I423-I527 HydrophobicContact CD1-CD1 3.95Å; I423-Q541 HydrophobicContact CD1-CB 4.4Å; I423-Q541 HydrophobicContact CD1-CG 3.39Å; I423-I543 HydrophobicContact CD1-CD1 3.97Å; I423-I543 HydrophobicContact CD1-CG1 3.72Å; I423-I543 HydrophobicContact CG2-CD1 4.17Å; I423-I543 HydrophobicContact CG2-CG1 4.44Å |
| 424 | R | 84.4 | Confident | 66.9 | Low | 124 Ų | 124 | 84.4 Ų | 84.4 | 47% | 0.468 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120 | -174.7 | -58 | -174.6 | -177.2 | -140.1 | -7 | 110.7 | D422 G465 L466 | D422-R424 IonicContact OD1-NE 3.89Å; D422-R424 IonicContact OD2-CZ 3.98Å; D422-R424 IonicContact OD2-NE 3.66Å; D422-R424 PolarHBondContact OD2-NE 2.98Å; D422-R424 IonicContact OD2-NH2 2.71Å; D422-R424 PolarHBondContact OD2-NH2 2.75Å; R424-G465 CarbonylContact O-C 3.53Å; R424-G465 WeakPolarHBondContact O-CA 3.29Å; R424-L466 PolarHBondContact N-O 3.14Å; R424-L466 PolarHBondContact O-N 3Å |
| 425 | S | 77.1 | Confident | 63.9 | Low | 42 Ų | 42 | 88.6 Ų | 88.6 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 145.1 | 166.9 | -175 | 0 | 0 | 0 | 0 | 110.3 | Q427 | S425-Q427 PolarHBondContact OG-N 3.29Å |
| 426 | I | 68.5 | Low | 61.3 | Low | 84 Ų | 84 | 93 Ų | 93 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -89 | -14.7 | 170 | -69.2 | 162.9 | 0 | 0 | 0 | 110.5 | E428 N463 L466 | I426-E428 VanDerWaalsContact C-N 3.29Å; I426-E428 PolarHBondContact O-N 3.36Å; I426-N463 HydrophobicContact CD1-CB 3.83Å; I426-N463 WeakPolarHBondContact CD1-ND2 3.25Å; I426-N463 VanDerWaalsContact CD1-OD1 3.27Å; I426-N463 WeakPolarHBondContact CD1-OD1 3.49Å; I426-L466 HydrophobicContact CD1-CG 4.43Å |
| 427 | Q | 56.4 | Low | 58.8 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | trans | -88.5 | 44.2 | 177 | -61.4 | -172.5 | -25.2 | 0 | 0 | 112.8 | S425 S453 | S425-Q427 PolarHBondContact OG-N 3.29Å; Q427-S453 PolarHBondContact OE1-O 3.45Å; Q427-S453 PolarHBondContact OE1-OG 3.11Å | ||
| 428 | E | 41.5 | Very low | 56.1 | Low | 144 Ų | 144 | 100.7 Ų | 100.7 | 67% | 0.673 | 54% | 0.543 | S | S | * | . | trans | -112.8 | 94 | 168.4 | -84.4 | -134.9 | 105.2 | 0 | 0 | 111.1 | I426 S431 | I426-E428 VanDerWaalsContact C-N 3.29Å; I426-E428 PolarHBondContact O-N 3.36Å; E428-S431 PolarHBondContact OE1-OG 2.93Å | ||
| 429 | G | 31.7 | Very low | 53.3 | Low | 68 Ų | 68 | 104 Ų | 104 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -141.8 | 9.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 430 | N | 28.6 | Very low | 50.4 | Low | 160 Ų | 160 | 111.1 Ų | 111.1 | 86% | 0.856 | 60% | 0.597 | S | S | * | * | trans | -161.8 | 11.8 | 170.6 | -103.9 | -29.7 | 0 | 0 | 0 | 116.4 | Q432 | N430-Q432 PolarHBondContact O-N 3.36Š| ||
| 431 | S | 31.4 | Very low | 47.3 | Very low | 86 Ų | 86 | 114 Ų | 114 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -56.2 | 113.5 | 168.2 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | E428 K433 | E428-S431 PolarHBondContact OE1-OG 2.93Å; S431-K433 PolarHBondContact O-N 3.24Å | ||
| 432 | Q | 29.8 | Very low | 44.3 | Very low | 174 Ų | 174 | 122.1 Ų | 122.1 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | trans | -62.2 | 136.5 | -177.8 | -70.7 | -174.6 | -7.9 | 0 | 0 | 110.7 | N430 T434 | N430-Q432 PolarHBondContact O-N 3.36Å; Q432-T434 VanDerWaalsContact C-N 3.27Å; Q432-T434 PolarHBondContact O-N 2.83Å | ||
| 433 | K | 27.9 | Very low | 41.5 | Very low | 209 Ų | 209 | 123.8 Ų | 123.8 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | trans | -68.7 | 81.4 | 172.1 | -74 | -176.8 | 175.3 | 178.6 | 0 | 111.1 | S431 S435 | S431-K433 PolarHBondContact O-N 3.24Å; K433-S435 PolarHBondContact O-N 3.34Å | ||
| 434 | T | 31.1 | Very low | 38.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | trans | -72.8 | 91.1 | 162.3 | 42 | 0 | 0 | 0 | 0 | 108.9 | Q432 V436 | Q432-T434 VanDerWaalsContact C-N 3.27Å; Q432-T434 PolarHBondContact O-N 2.83Å; T434-V436 PolarHBondContact O-N 2.7Å | ||
| 435 | S | 28 | Very low | 36.5 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | trans | -67.8 | 98 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | K433 | K433-S435 PolarHBondContact O-N 3.34Š| ||
| 436 | V | 34.8 | Very low | 34.8 | Very low | 112 Ų | 112 | 133 Ų | 133 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -128.1 | 128.5 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | T434 | T434-V436 PolarHBondContact O-N 2.7Š| ||
| 437 | D | 34.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 51.5 | 83.7 | 164.8 | -56.7 | -13.2 | 0 | 0 | 0 | 118.5 | ||||
| 438 | N | 31.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -56 | 139.8 | 143.9 | -72.3 | -51.1 | 0 | 0 | 0 | 109.3 | ||
| 439 | N | 29.2 | Very low | 34.9 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | 76.1 | 71.2 | 179.7 | -46.3 | -44.5 | 0 | 0 | 0 | 116.1 | ||||
| 440 | L | 31.8 | Very low | 37 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | trans | -143.7 | 128.1 | 142.6 | -139.7 | 78.5 | 0 | 0 | 0 | 112.7 | ||||
| 441 | N | 28.4 | Very low | 39.6 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | trans | 34.5 | 117.1 | 153.6 | -58.1 | -14 | 0 | 0 | 0 | 120.5 | V443 | N441-V443 WeakPolarHBondContact O-CG2 3.43Å; N441-V443 PolarHBondContact O-N 3.28Å | ||
| 442 | K | 28 | Very low | 42.3 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -26.4 | 97 | 147.9 | -172.8 | 177.3 | -175 | 177.6 | 0 | 112.5 | ||||
| 443 | V | 29.7 | Very low | 45 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | trans | -81.6 | 130.8 | 179 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | N441 Y445 | N441-V443 WeakPolarHBondContact O-CG2 3.43Å; N441-V443 PolarHBondContact O-N 3.28Å; V443-Y445 HydrophobicContact CB-CD2 4.34Å; V443-Y445 HydrophobicContact CB-CE2 3.89Å; V443-Y445 HydrophobicContact CG1-CE1 4.46Å; V443-Y445 HydrophobicContact CG1-CE2 4.35Å; V443-Y445 VanDerWaalsContact O-CD2 3.26Å; V443-Y445 WeakPolarHBondContact O-CD2 3.15Å; V443-Y445 PolarHBondContact O-N 2.92Å | ||
| 444 | N | 27.1 | Very low | 47.9 | Very low | 136 Ų | 136 | 112.1 Ų | 112.1 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | trans | -78.2 | 96.6 | 172.5 | -71.1 | -6.4 | 0 | 0 | 0 | 109.5 | S446 | N444-S446 PolarHBondContact O-N 3.18Š| ||
| 445 | Y | 39.4 | Very low | 50.5 | Low | 169 Ų | 169 | 107.2 Ų | 107.2 | 66% | 0.663 | 57% | 0.569 | S | S | * | * | trans | -72.9 | -6.4 | -178.4 | -75.1 | -80 | 0 | 0 | 0 | 115 | V443 N447 | V443-Y445 HydrophobicContact CB-CD2 4.34Å; V443-Y445 HydrophobicContact CB-CE2 3.89Å; V443-Y445 HydrophobicContact CG1-CE1 4.46Å; V443-Y445 HydrophobicContact CG1-CE2 4.35Å; V443-Y445 VanDerWaalsContact O-CD2 3.26Å; V443-Y445 WeakPolarHBondContact O-CD2 3.15Å; V443-Y445 PolarHBondContact O-N 2.92Å; Y445-N447 PolarHBondContact O-N 3.28Å | ||
| 446 | S | 42.8 | Very low | 53.3 | Low | 88 Ų | 88 | 101.6 Ų | 101.6 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 10.9 | -166.8 | 57.6 | 0 | 0 | 0 | 0 | 117.4 | N444 | N444-S446 PolarHBondContact O-N 3.18Š|
| 447 | N | 43.7 | Very low | 55.6 | Low | 153 Ų | 153 | 100.5 Ų | 100.5 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.3 | 15.3 | -173 | -87.7 | -55.2 | 0 | 0 | 0 | 115 | Y445 | Y445-N447 PolarHBondContact O-N 3.28Š|
| 448 | Q | 56.6 | Low | 57.9 | Low | 140 Ų | 140 | 97.2 Ų | 97.2 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | trans | -106.4 | 131.3 | 173.2 | -69.8 | -170.3 | -49.1 | 0 | 0 | 110.7 | A450 Q541 | Q448-A450 PolarHBondContact O-N 3.34Å; Q448-Q541 PolarHBondContact O-NE2 3.27Å | ||
| 449 | E | 66.9 | Low | 60.6 | Low | 91 Ų | 91 | 93.6 Ų | 93.6 | 43% | 0.425 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -67 | 123.8 | 172.5 | -61.6 | -176.3 | 118.7 | 0 | 0 | 109.1 | Q451 R524 L544 | E449-Q451 PolarHBondContact O-N 3.45Å; E449-R524 IonicContact OE1-CZ 3.73Å; E449-R524 IonicContact OE1-NH1 3.34Å; E449-R524 PolarHBondContact OE1-NH1 3.24Å; E449-R524 IonicContact OE1-NH2 3.03Å; E449-R524 PolarHBondContact OE1-NH2 2.82Å; E449-R524 VanDerWaalsContact OE1-NH2 3.08Å; E449-R524 IonicContact OE2-NH2 3.58Å; E449-L544 HydrophobicContact CB-CD1 4.24Å; E449-L544 HydrophobicContact CB-CG 4.07Å |
| 450 | A | 76.9 | Confident | 63.3 | Low | 24 Ų | 24 | 89.2 Ų | 89.2 | 20% | 0.198 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I423 Q448 T542 I543 L544 | I423-A450 HydrophobicContact CB-CB 4.25Å; I423-A450 HydrophobicContact CD1-CB 3.75Å; I423-A450 HydrophobicContact CG2-CB 4.21Å; Q448-A450 PolarHBondContact O-N 3.34Å; A450-T542 PolarHBondContact N-O 2.56Å; A450-I543 HydrophobicContact CB-CG1 4.18Å; A450-I543 CarbonylContact O-C 3.53Å; A450-I543 VanDerWaalsContact O-CA 3.25Å; A450-I543 WeakPolarHBondContact O-CA 3.48Å; A450-L544 PolarHBondContact O-N 2.66Å |
| 451 | Q | 82.2 | Confident | 66 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.2 | -179.3 | -64.1 | -175.2 | -6 | 0 | 0 | 110.5 | E449 L544 | E449-Q451 PolarHBondContact O-N 3.45Å; Q451-L544 HydrophobicContact CG-CB 4.46Å |
| 452 | L | 88.4 | Confident | 68.9 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.6 | 173.2 | -65 | 179.2 | 0 | 0 | 0 | 109.5 | I423 I464 I543 L544 L545 N546 | I423-L452 HydrophobicContact CG2-CD1 4.15Å; L452-I464 HydrophobicContact CB-CG2 4.2Å; L452-I464 HydrophobicContact CD1-CG2 3.98Å; L452-I543 HydrophobicContact CB-CG2 4.34Å; L452-I543 HydrophobicContact CD1-CD1 4.05Å; L452-I543 HydrophobicContact CD1-CG2 4.02Å; L452-I543 HydrophobicContact CG-CG2 4.22Å; L452-L544 PolarHBondContact N-O 2.94Å; L452-L545 HydrophobicContact CB-CD1 4.13Å; L452-L545 WeakPolarHBondContact O-CA 3.16Å; L452-N546 PolarHBondContact O-N 3.11Å |
| 453 | S | 86.1 | Confident | 71.8 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.7 | 178.8 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | Q427 N546 | Q427-S453 PolarHBondContact OE1-O 3.45Å; Q427-S453 PolarHBondContact OE1-OG 3.11Å; S453-N546 WeakPolarHBondContact CA-O 3.3Å |
| 454 | I | 88.4 | Confident | 74.6 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137.8 | 169.8 | -167.4 | 168.8 | 0 | 0 | 0 | 109.6 | Q458 T462 I464 T509 L513 L545 N546 I547 L548 | I454-Q458 HydrophobicContact CD1-CB 4.01Å; I454-Q458 HydrophobicContact CD1-CG 4.39Å; I454-Q458 HydrophobicContact CG1-CB 3.99Å; I454-Q458 HydrophobicContact CG1-CG 3.88Å; I454-T462 HydrophobicContact CD1-CG2 3.94Å; I454-I464 HydrophobicContact CD1-CG1 4.19Å; I454-T509 HydrophobicContact CD1-CG2 3.9Å; I454-L513 HydrophobicContact CG2-CD1 3.75Å; I454-L545 HydrophobicContact CB-CD1 4.14Å; I454-L545 HydrophobicContact CG2-CD1 3.64Å; I454-L545 HydrophobicContact CG2-CD2 4.06Å; I454-L545 HydrophobicContact CG2-CG 3.94Å; I454-N546 PolarHBondContact N-O 2.9Å; I454-N546 VanDerWaalsContact N-O 3.09Å; I454-I547 CarbonylContact O-C 3.5Å; I454-I547 WeakPolarHBondContact O-CA 3.42Å; I454-L548 PolarHBondContact O-N 3.35Å |
| 455 | S | 85.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 142.7 | 169.8 | 178.6 | 0 | 0 | 0 | 0 | 110 | N457 Q458 L550 | S455-N457 VanDerWaalsContact C-N 3.32Å; S455-N457 PolarHBondContact O-N 3.05Å; S455-Q458 VanDerWaalsContact O-CB 3.3Å; S455-Q458 WeakPolarHBondContact O-CB 3.12Å; S455-Q458 WeakPolarHBondContact O-CG 3.1Å; S455-Q458 PolarHBondContact O-N 2.92Å; S455-L550 WeakPolarHBondContact OG-CD1 3.21Å; S455-L550 WeakPolarHBondContact OG-CG 3.46Å |
| 456 | E | 86.5 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -30.1 | -173.1 | 63.9 | -158.9 | 108.4 | 0 | 0 | 114.9 | Q458 S512 R515 I547 D549 L550 | E456-Q458 PolarHBondContact O-N 3.23Å; E456-S512 PolarHBondContact O-OG 2.8Å; E456-R515 VanDerWaalsContact CD-CB 3.48Å; E456-R515 WeakPolarHBondContact OE1-CB 3.25Å; E456-R515 WeakPolarHBondContact OE2-CB 3.48Å; E456-R515 PolarHBondContact OE2-N 3.36Å; E456-I547 HydrophobicContact CB-CG2 3.86Å; E456-D549 WeakPolarHBondContact OE1-CA 3.31Å; E456-L550 HydrophobicContact CG-CB 4.41Å; E456-L550 HydrophobicContact CG-CD1 4.2Å; E456-L550 HydrophobicContact CG-CG 4.33Å; E456-L550 PolarHBondContact OE1-N 3.25Å |
| 457 | N | 83 | Confident | 82.2 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -5 | 176.3 | 73 | 13 | 0 | 0 | 0 | 114.7 | S455 L550 | S455-N457 VanDerWaalsContact C-N 3.32Å; S455-N457 PolarHBondContact O-N 3.05Å; N457-L550 HydrophobicContact CB-CD1 3.53Å; N457-L550 VanDerWaalsContact CG-CD1 3.47Å; N457-L550 WeakPolarHBondContact ND2-CD1 3.33Å |
| 458 | Q | 84.4 | Confident | 84.5 | Confident | 70 Ų | 70 | 45.1 Ų | 45.1 | 33% | 0.327 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -71 | 123.6 | -176.4 | -70 | -57.1 | -74.7 | 0 | 0 | 111 | I454 S455 E456 T462 | I454-Q458 HydrophobicContact CD1-CB 4.01Å; I454-Q458 HydrophobicContact CD1-CG 4.39Å; I454-Q458 HydrophobicContact CG1-CB 3.99Å; I454-Q458 HydrophobicContact CG1-CG 3.88Å; S455-Q458 VanDerWaalsContact O-CB 3.3Å; S455-Q458 WeakPolarHBondContact O-CB 3.12Å; S455-Q458 WeakPolarHBondContact O-CG 3.1Å; S455-Q458 PolarHBondContact O-N 2.92Å; E456-Q458 PolarHBondContact O-N 3.23Å; Q458-T462 HydrophobicContact CB-CG2 3.9Å; Q458-T462 HydrophobicContact CG-CG2 4.24Å |
| 459 | P | 87.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 38.4 Ų | 38.4 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 159.1 | -171.3 | 27.1 | -36.1 | 0 | 0 | 0 | 112.8 | G461 T462 T509 | P459-G461 PolarHBondContact O-N 2.79Å; P459-T462 WeakPolarHBondContact CD-OG1 3.31Å; P459-T462 VanDerWaalsContact O-CB 3.31Å; P459-T462 WeakPolarHBondContact O-CB 3.38Å; P459-T462 PolarHBondContact O-N 2.85Å; P459-T462 PolarHBondContact O-OG1 3.38Å; P459-T509 PolarHBondContact O-OG1 2.85Å |
| 460 | A | 85.9 | Confident | 87.3 | Confident | 62 Ų | 62 | 34.2 Ų | 34.2 | 51% | 0.512 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 129.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T510 | A460-T510 WeakPolarHBondContact CB-O 3.27Š|
| 461 | G | 87.5 | Confident | 88 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -3.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P459 N463 R506 T509 | P459-G461 PolarHBondContact O-N 2.79Å; G461-N463 PolarHBondContact O-N 2.82Å; G461-R506 PolarHBondContact O-NH2 3.01Å; G461-T509 VanDerWaalsContact CA-O 3.28Å; G461-T509 WeakPolarHBondContact CA-O 3.27Å; G461-T509 PolarHBondContact N-O 2.91Å; G461-T509 PolarHBondContact N-OG1 2.96Å |
| 462 | T | 89.7 | Confident | 88.3 | Confident | 26 Ų | 26 | 30.5 Ų | 30.5 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | -56.3 | 137.6 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | I454 Q458 P459 S508 T509 | I454-T462 HydrophobicContact CD1-CG2 3.94Å; Q458-T462 HydrophobicContact CB-CG2 3.9Å; Q458-T462 HydrophobicContact CG-CG2 4.24Å; P459-T462 WeakPolarHBondContact CD-OG1 3.31Å; P459-T462 VanDerWaalsContact O-CB 3.31Å; P459-T462 WeakPolarHBondContact O-CB 3.38Å; P459-T462 PolarHBondContact O-N 2.85Å; P459-T462 PolarHBondContact O-OG1 3.38Å; T462-S508 WeakPolarHBondContact O-CA 3.46Å; T462-S508 WeakPolarHBondContact O-CB 3.21Å; T462-T509 PolarHBondContact N-OG1 2.74Å; T462-T509 PolarHBondContact O-N 2.58Å; T462-T509 VanDerWaalsContact O-N 3.15Å | ||
| 463 | N | 88.5 | Confident | 88.4 | Confident | 47 Ų | 47 | 30.3 Ų | 30.3 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116 | -178.4 | -165.9 | -0.9 | 0 | 0 | 0 | 110.1 | I426 G461 G465 R506 L507 | I426-N463 HydrophobicContact CD1-CB 3.83Å; I426-N463 WeakPolarHBondContact CD1-ND2 3.25Å; I426-N463 VanDerWaalsContact CD1-OD1 3.27Å; I426-N463 WeakPolarHBondContact CD1-OD1 3.49Å; G461-N463 PolarHBondContact O-N 2.82Å; N463-G465 PolarHBondContact OD1-O 3.16Å; N463-R506 VanDerWaalsContact OD1-CG 3.28Å; N463-R506 WeakPolarHBondContact OD1-CG 3.47Å; N463-L507 PolarHBondContact OD1-O 3.19Å |
| 464 | I | 88.4 | Confident | 88.4 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -41.8 | -175.2 | -42.8 | -172.4 | 0 | 0 | 0 | 110.4 | L452 I454 F491 L507 T509 L545 | L452-I464 HydrophobicContact CB-CG2 4.2Å; L452-I464 HydrophobicContact CD1-CG2 3.98Å; I454-I464 HydrophobicContact CD1-CG1 4.19Å; I464-F491 HydrophobicContact CD1-CD1 3.8Å; I464-F491 HydrophobicContact CD1-CE1 3.7Å; I464-L507 HydrophobicContact CB-CD2 4.3Å; I464-L507 HydrophobicContact CB-CG 4.33Å; I464-L507 HydrophobicContact CD1-CD2 4.34Å; I464-L507 HydrophobicContact CD1-CG 4.19Å; I464-L507 HydrophobicContact CG1-CG 4.42Å; I464-L507 PolarHBondContact N-O 2.85Å; I464-T509 HydrophobicContact CD1-CG2 3.95Å; I464-T509 HydrophobicContact CG1-CG2 4.36Å; I464-L545 HydrophobicContact CD1-CD2 3.82Å; I464-L545 HydrophobicContact CG2-CD1 3.57Å |
| 465 | G | 88.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 164.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R424 N463 L507 | R424-G465 CarbonylContact O-C 3.53Å; R424-G465 WeakPolarHBondContact O-CA 3.29Å; N463-G465 PolarHBondContact OD1-O 3.16Å; G465-L507 PolarHBondContact O-N 2.82Å; G465-L507 VanDerWaalsContact O-N 3.07Å |
| 466 | L | 90.1 | Very high | 88.3 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.7 | 171 | -61.3 | 179 | 0 | 0 | 0 | 109.2 | R424 I426 | R424-L466 PolarHBondContact N-O 3.14Å; R424-L466 PolarHBondContact O-N 3Å; I426-L466 HydrophobicContact CD1-CG 4.43Å |
| 467 | I | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.5 | 172.7 | -65.8 | 152.4 | 0 | 0 | 0 | 106.1 | I421 I423 L493 Y505 L507 I527 | I421-I467 HydrophobicContact CG2-CG2 3.97Å; I423-I467 HydrophobicContact CG1-CG1 4.38Å; I467-L493 HydrophobicContact CD1-CD1 3.36Å; I467-Y505 PolarHBondContact N-O 2.82Å; I467-Y505 PolarHBondContact O-N 3.41Å; I467-L507 HydrophobicContact CD1-CB 3.87Å; I467-L507 HydrophobicContact CD1-CD2 4.44Å; I467-I527 HydrophobicContact CD1-CD1 3.39Å; I467-I527 HydrophobicContact CD1-CG1 3.93Å; I467-I527 HydrophobicContact CG1-CD1 3.68Å; I467-I527 HydrophobicContact CG2-CD1 4.2Å; I467-I527 HydrophobicContact CG2-CG2 4.46Å |
| 468 | I | 91.4 | Very high | 88.7 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.1 | 178.1 | -53.9 | -178.7 | 0 | 0 | 0 | 106.7 | W420 D422 R502 E503 I504 | W420-I468 HydrophobicContact CH2-CG2 4.02Å; W420-I468 HydrophobicContact CZ3-CG2 4.05Å; W420-I468 WeakPolarHBondContact CZ3-O 3Å; D422-I468 HydrophobicContact CB-CB 4.28Å; D422-I468 PolarHBondContact N-O 2.99Å; D422-I468 PolarHBondContact O-N 2.79Å; I468-R502 HydrophobicContact CG2-CB 4.06Å; I468-E503 WeakPolarHBondContact CA-O 3.17Å; I468-I504 HydrophobicContact CG1-CG1 4.35Å; I468-I504 HydrophobicContact CG1-CG2 4.46Å; I468-I504 HydrophobicContact CG2-CG1 4.43Å |
| 469 | S | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 160.4 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | W420 C482 R502 E503 | W420-S469 VanDerWaalsContact O-CA 3.23Å; W420-S469 WeakPolarHBondContact O-CA 3.36Å; W420-S469 WeakPolarHBondContact O-CB 3.02Å; S469-C482 WeakPolarHBondContact CB-SG 3.48Å; S469-C482 PolarHBondContact OG-SG 2.98Å; S469-R502 CarbonylContact O-C 3.57Å; S469-R502 VanDerWaalsContact O-CA 3.22Å; S469-R502 WeakPolarHBondContact O-CA 3.28Å; S469-E503 PolarHBondContact N-O 2.81Å; S469-E503 PolarHBondContact O-N 2.9Å |
| 470 | G | 91.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 174.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P419 W420 | P419-G470 CarbonylContact C-O 3.58Å; P419-G470 WeakPolarHBondContact CA-O 3.21Å; W420-G470 VanDerWaalsContact CD1-O 3.26Å; W420-G470 PolarHBondContact N-O 3.07Å; W420-G470 PolarHBondContact NE1-O 2.73Å; W420-G470 PolarHBondContact O-N 3.34Å |
| 471 | D | 91.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -124.3 | 158.5 | 170.2 | -156.9 | -71.1 | 0 | 0 | 0 | 108.6 | D418 P419 D473 V480 | D418-D471 VanDerWaalsContact C-OD2 3.28Å; P419-D471 VanDerWaalsContact CA-OD2 3.25Å; P419-D471 WeakPolarHBondContact CA-OD2 3.25Å; P419-D471 WeakPolarHBondContact CD-OD2 3.37Å; P419-D471 VanDerWaalsContact CG-OD2 3.31Å; P419-D471 WeakPolarHBondContact CG-OD2 3.33Å; D471-D473 WeakPolarHBondContact OD1-CB 3.39Å; D471-D473 PolarHBondContact OD1-N 3.27Å; D471-V480 HydrophobicContact CB-CG2 3.75Å | ||
| 472 | D | 88.7 | Confident | 89.6 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -97 | -4.3 | 177 | -88.9 | -39.1 | 0 | 0 | 0 | 115.2 | K382 H417 | K382-D472 WeakPolarHBondContact CD-O 3.19Å; K382-D472 VanDerWaalsContact NZ-C 3.31Å; K382-D472 PolarHBondContact NZ-O 2.84Å; K382-D472 IonicContact NZ-OD1 3.69Å; K382-D472 PolarHBondContact NZ-OD1 2.7Å; H417-D472 HydrophobicContact CB-CB 4.17Å |
| 473 | D | 90.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -74 | -169.3 | 170.5 | -67.8 | -18.3 | 0 | 0 | 0 | 113.7 | N415 D416 H417 D471 N477 S478 | N415-D473 VanDerWaalsContact C-OD2 3.26Å; N415-D473 WeakPolarHBondContact CA-OD2 3.3Å; D416-D473 PolarHBondContact N-OD1 2.77Å; D416-D473 PolarHBondContact N-OD2 2.8Å; H417-D473 WeakPolarHBondContact CB-OD1 3.13Å; H417-D473 IonicContact CE1-OD1 2.68Å; H417-D473 IonicContact CG-OD1 3.54Å; H417-D473 PolarHBondContact N-OD1 2.73Å; H417-D473 PolarHBondContact N-OD2 2.8Å; H417-D473 IonicContact ND1-OD1 2.78Å; H417-D473 PolarHBondContact ND1-OD1 2.86Å; D471-D473 WeakPolarHBondContact OD1-CB 3.39Å; D471-D473 PolarHBondContact OD1-N 3.27Å; D473-N477 HydrophobicContact CB-CB 3.74Å; D473-S478 WeakPolarHBondContact O-CB 3.43Å |
| 474 | V | 86.6 | Confident | 89.8 | Confident | 63 Ų | 63 | 34.3 Ų | 34.3 | 38% | 0.382 | 21% | 0.207 | S | C | . | . | trans | -131.1 | 137.9 | -177.7 | -172.1 | 0 | 0 | 0 | 0 | 113.5 | K382 D413 | K382-V474 HydrophobicContact CB-CG2 3.62Å; K382-V474 HydrophobicContact CD-CG2 4.47Å; K382-V474 HydrophobicContact CG-CG2 4.23Å; D413-V474 HydrophobicContact CB-CB 4.16Å; D413-V474 VanDerWaalsContact CG-N 3.3Å; D413-V474 WeakPolarHBondContact OD1-CA 3.24Å; D413-V474 WeakPolarHBondContact OD1-CB 3.23Å; D413-V474 VanDerWaalsContact OD1-CG2 3.27Å; D413-V474 WeakPolarHBondContact OD1-CG2 3.04Å; D413-V474 PolarHBondContact OD1-N 3.34Å; D413-V474 PolarHBondContact OD2-N 2.84Å | ||
| 475 | G | 85.8 | Confident | 89.6 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -130.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N477 S478 I479 | G475-N477 VanDerWaalsContact C-N 3.31Å; G475-S478 PolarHBondContact O-N 2.94Å; G475-S478 PolarHBondContact O-OG 2.62Å; G475-I479 WeakPolarHBondContact O-CG1 3.34Å |
| 476 | E | 86.1 | Confident | 88.8 | Confident | 122 Ų | 122 | 43.4 Ų | 43.4 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.7 | 174.5 | -66.9 | -167.3 | 157.7 | 0 | 0 | 111.5 | S478 I479 N532 | E476-S478 PolarHBondContact O-N 3.07Å; E476-I479 PolarHBondContact O-N 2.65Å; E476-I479 VanDerWaalsContact O-N 3.14Å; E476-N532 WeakPolarHBondContact O-CB 3.41Å |
| 477 | N | 88.9 | Confident | 87.4 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -38.3 | 174.2 | -64.5 | -2 | 0 | 0 | 0 | 111.2 | D413 N415 D473 G475 I479 D531 | D413-N477 WeakPolarHBondContact OD2-CB 3.45Å; D413-N477 PolarHBondContact OD2-ND2 3.33Å; N415-N477 HydrophobicContact CB-CB 4.46Å; N415-N477 PolarHBondContact N-ND2 2.79Å; N415-N477 WeakPolarHBondContact OD1-CA 3.41Å; N415-N477 WeakPolarHBondContact OD1-CB 2.95Å; N415-N477 PolarHBondContact OD1-OD1 2.64Å; D473-N477 HydrophobicContact CB-CB 3.74Å; G475-N477 VanDerWaalsContact C-N 3.31Å; N477-I479 PolarHBondContact O-N 2.97Å; N477-I479 VanDerWaalsContact O-N 3.16Å; N477-D531 WeakPolarHBondContact O-CB 3.46Å |
| 478 | S | 88.6 | Confident | 86.4 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 4.1 | -178.3 | 88.9 | 0 | 0 | 0 | 0 | 115.4 | D473 G475 E476 | D473-S478 WeakPolarHBondContact O-CB 3.43Å; G475-S478 PolarHBondContact O-N 2.94Å; G475-S478 PolarHBondContact O-OG 2.62Å; E476-S478 PolarHBondContact O-N 3.07Å |
| 479 | I | 89.2 | Confident | 85.6 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 46% | 0.462 | 33% | 0.333 | S | S | . | . | trans | -100.3 | 101.2 | -175.5 | -57.5 | 174 | 0 | 0 | 0 | 109.6 | G475 E476 N477 D531 N532 | G475-I479 WeakPolarHBondContact O-CG1 3.34Å; E476-I479 PolarHBondContact O-N 2.65Å; E476-I479 VanDerWaalsContact O-N 3.14Å; N477-I479 PolarHBondContact O-N 2.97Å; N477-I479 VanDerWaalsContact O-N 3.16Å; I479-D531 CarbonylContact O-C 3.59Å; I479-D531 WeakPolarHBondContact O-CA 3.43Å; I479-N532 WeakPolarHBondContact CG2-ND2 3.4Å; I479-N532 PolarHBondContact O-N 2.79Å; I479-N532 PolarHBondContact O-ND2 3.08Å | ||
| 480 | V | 91 | Very high | 85.2 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -85.8 | 141.2 | 179.2 | -174 | 0 | 0 | 0 | 0 | 111.9 | P419 D471 C529 Q530 | P419-V480 HydrophobicContact CB-CG1 3.92Å; P419-V480 HydrophobicContact CB-CG2 3.86Å; P419-V480 HydrophobicContact CG-CG1 4.46Å; P419-V480 HydrophobicContact CG-CG2 4.2Å; D471-V480 HydrophobicContact CB-CG2 3.75Å; V480-C529 HydrophobicContact CG1-CB 3.72Å; V480-Q530 CarbonylContact C-O 3.47Å; V480-Q530 WeakPolarHBondContact CA-O 3.18Å | ||
| 481 | S | 91.7 | Very high | 85.2 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.4 | 166.8 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | Q530 | S481-Q530 PolarHBondContact N-O 2.67Å; S481-Q530 PolarHBondContact O-N 2.77Å |
| 482 | C | 92.8 | Very high | 85.2 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 147.8 | 178.7 | -58 | 0 | 0 | 0 | 0 | 113.3 | S469 L493 Y505 I527 T528 C529 | S469-C482 WeakPolarHBondContact CB-SG 3.48Å; S469-C482 PolarHBondContact OG-SG 2.98Å; C482-L493 HydrophobicContact CB-CD2 3.98Å; C482-Y505 HydrophobicContact CB-CD2 3.98Å; C482-Y505 HydrophobicContact CB-CE1 4.35Å; C482-Y505 HydrophobicContact CB-CE2 3.58Å; C482-Y505 PolarHBondContact N-OH 3.04Å; C482-I527 HydrophobicContact CB-CG2 4.44Å; C482-T528 CarbonylContact C-O 3.41Å; C482-T528 WeakPolarHBondContact CA-O 3.23Å; C482-C529 HydrophobicContact CB-CB 4.17Å; C482-C529 WeakPolarHBondContact CB-SG 3.47Å; C482-C529 WeakPolarHBondContact SG-CB 3.37Å; C482-C529 CovalentContact SG-SG 2.04Å; C482-C529 PolarHBondContact SG-SG 2.94Å |
| 483 | G | 90.8 | Very high | 85.3 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I527 T528 | G483-I527 WeakPolarHBondContact O-CA 3.28Å; G483-T528 PolarHBondContact N-O 3.09Å; G483-T528 PolarHBondContact O-N 2.67Å; G483-T528 PolarHBondContact O-OG1 2.85Å |
| 484 | L | 91 | Very high | 85.2 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.6 | 170.5 | -60.2 | 177.7 | 0 | 0 | 0 | 109.1 | S486 F491 L493 L507 I525 I527 | L484-S486 PolarHBondContact O-N 3.44Å; L484-F491 HydrophobicContact CD1-CB 4.02Å; L484-F491 WeakPolarHBondContact CD1-O 3.5Å; L484-L493 HydrophobicContact CD2-CB 4.36Å; L484-L493 HydrophobicContact CG-CB 4.12Å; L484-L507 HydrophobicContact CD2-CD1 4.35Å; L484-I525 HydrophobicContact CD2-CG2 3.88Å; L484-I527 HydrophobicContact CD2-CG1 4.47Å |
| 485 | K | 84.7 | Confident | 85.4 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -58.3 | -33 | -174.8 | -171.3 | 162.7 | 173 | 154.9 | 0 | 113.6 | V526 T528 E540 | K485-V526 HydrophobicContact CB-CB 3.92Å; K485-V526 HydrophobicContact CB-CG1 3.98Å; K485-V526 HydrophobicContact CD-CB 4.29Å; K485-V526 HydrophobicContact CD-CG1 3.75Å; K485-V526 PolarHBondContact N-O 2.92Å; K485-T528 HydrophobicContact CB-CG2 3.67Å; K485-T528 HydrophobicContact CD-CG2 4.04Å; K485-T528 HydrophobicContact CG-CG2 3.88Å; K485-E540 WeakPolarHBondContact CD-OE1 3.35Å; K485-E540 WeakPolarHBondContact CE-OE1 3.43Å; K485-E540 IonicContact NZ-OE1 2.73Å; K485-E540 PolarHBondContact NZ-OE1 3.25Å; K485-E540 IonicContact NZ-OE2 2.66Å; K485-E540 PolarHBondContact NZ-OE2 3.38Å |
| 486 | S | 70.3 | Confident | 85.4 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -121.4 | 151.7 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | L484 T488 | L484-S486 PolarHBondContact O-N 3.44Å; S486-T488 PolarHBondContact O-N 3.03Å |
| 487 | K | 61.8 | Low | 85.4 | Confident | 206 Ų | 206 | 69.4 Ų | 69.4 | 90% | 0.896 | 37% | 0.371 | S | S | * | . | trans | -76.7 | 70.7 | 168.1 | -69 | -173.7 | 177.3 | -176.3 | 0 | 109.8 | E489 | K487-E489 PolarHBondContact O-N 2.96Š| ||
| 488 | T | 69.3 | Low | 85.3 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | trans | -64.2 | 109 | 160.8 | 49.5 | 0 | 0 | 0 | 0 | 107.4 | S486 D490 F491 | S486-T488 PolarHBondContact O-N 3.03Å; T488-D490 PolarHBondContact O-N 3.17Å; T488-F491 PolarHBondContact O-N 2.04Å | ||
| 489 | E | 75.4 | Confident | 84.7 | Confident | 175 Ų | 175 | 71 Ų | 71 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.3 | 177.4 | -62.7 | -165.9 | 154 | 0 | 0 | 112.2 | K487 T510 | K487-E489 PolarHBondContact O-N 2.96Å; E489-T510 WeakPolarHBondContact O-CB 3.45Å; E489-T510 WeakPolarHBondContact O-CG2 3.23Å; E489-T510 PolarHBondContact O-OG1 2.92Å |
| 490 | D | 84.2 | Confident | 84.1 | Confident | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19 | -173.6 | -60.1 | -1.1 | 0 | 0 | 0 | 115.1 | T488 T510 K511 | T488-D490 PolarHBondContact O-N 3.17Å; D490-T510 WeakPolarHBondContact CA-OG1 3.4Å; D490-T510 PolarHBondContact O-N 3.28Å; D490-T510 PolarHBondContact O-OG1 3.01Å; D490-T510 VanDerWaalsContact O-OG1 3.07Å; D490-K511 HydrophobicContact CB-CD 4.46Å; D490-K511 WeakPolarHBondContact OD1-CD 3.22Å; D490-K511 WeakPolarHBondContact OD1-CE 3.42Å; D490-K511 IonicContact OD1-NZ 2.64Å; D490-K511 PolarHBondContact OD1-NZ 3.07Å; D490-K511 WeakPolarHBondContact OD2-CE 3.38Å; D490-K511 IonicContact OD2-NZ 3.75Å; D490-K511 PolarHBondContact OD2-NZ 2.77Å |
| 491 | F | 90.6 | Very high | 83.4 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.8 | -174.9 | -58.2 | -79.4 | 0 | 0 | 0 | 112 | I464 L484 T488 L507 S508 T509 L513 I523 I525 L545 | I464-F491 HydrophobicContact CD1-CD1 3.8Å; I464-F491 HydrophobicContact CD1-CE1 3.7Å; L484-F491 HydrophobicContact CD1-CB 4.02Å; L484-F491 WeakPolarHBondContact CD1-O 3.5Å; T488-F491 PolarHBondContact O-N 2.04Å; F491-L507 HydrophobicContact CB-CD1 4.44Å; F491-S508 WeakPolarHBondContact CA-O 3.45Å; F491-T509 HydrophobicContact CE1-CG2 4.23Å; F491-L513 HydrophobicContact CE1-CD1 4.44Å; F491-L513 HydrophobicContact CZ-CD1 4.39Å; F491-L513 HydrophobicContact CZ-CD2 4.09Å; F491-I523 HydrophobicContact CE2-CD1 4.12Å; F491-I523 HydrophobicContact CE2-CG2 3.79Å; F491-I523 HydrophobicContact CZ-CD1 3.83Å; F491-I523 HydrophobicContact CZ-CG2 4.11Å; F491-I525 HydrophobicContact CD1-CD1 3.71Å; F491-I525 HydrophobicContact CD2-CD1 4.02Å; F491-I525 HydrophobicContact CD2-CG1 4.24Å; F491-I525 HydrophobicContact CE1-CD1 3.74Å; F491-I525 HydrophobicContact CE2-CD1 4.08Å; F491-I525 HydrophobicContact CE2-CG1 4.28Å; F491-I525 HydrophobicContact CG-CD1 3.87Å; F491-I525 HydrophobicContact CZ-CD1 3.94Å; F491-L545 HydrophobicContact CE1-CD2 3.49Å; F491-L545 VanDerWaalsContact CE1-CD2 3.49Å; F491-L545 HydrophobicContact CZ-CD2 3.71Å |
| 492 | K | 90.3 | Very high | 83.2 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 45% | 0.452 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.2 | 175.5 | -166.2 | -178.4 | -178.2 | -164.9 | 0 | 109.9 | E494 S508 T510 | K492-E494 HydrophobicContact CD-CG 3.64Å; K492-E494 WeakPolarHBondContact CE-OE1 3.41Å; K492-E494 HydrophobicContact CG-CG 3.86Å; K492-E494 IonicContact NZ-OE1 3.07Å; K492-E494 PolarHBondContact NZ-OE1 2.89Å; K492-S508 PolarHBondContact N-O 2.84Å; K492-S508 PolarHBondContact O-N 3.04Å; K492-T510 HydrophobicContact CB-CG2 3.89Å |
| 493 | L | 91.2 | Very high | 83 | Confident | 32 Ų | 32 | 82.3 Ų | 82.3 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.7 | 166.6 | -167.6 | 68.7 | 0 | 0 | 0 | 107.8 | I467 C482 L484 Y505 | I467-L493 HydrophobicContact CD1-CD1 3.36Å; C482-L493 HydrophobicContact CB-CD2 3.98Å; L484-L493 HydrophobicContact CD2-CB 4.36Å; L484-L493 HydrophobicContact CG-CB 4.12Å; L493-Y505 HydrophobicContact CD1-CG 4.3Å; L493-Y505 HydrophobicContact CD2-CD1 4.08Å; L493-Y505 HydrophobicContact CD2-CG 4.26Å; L493-Y505 HydrophobicContact CG-CD1 3.9Å; L493-Y505 HydrophobicContact CG-CG 4.12Å |
| 494 | E | 89.5 | Confident | 83.1 | Confident | 66 Ų | 66 | 83 Ų | 83 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.8 | 179.5 | -59.8 | -173.3 | 122.4 | 0 | 0 | 109.9 | K492 A496 Y505 R506 | K492-E494 HydrophobicContact CD-CG 3.64Å; K492-E494 WeakPolarHBondContact CE-OE1 3.41Å; K492-E494 HydrophobicContact CG-CG 3.86Å; K492-E494 IonicContact NZ-OE1 3.07Å; K492-E494 PolarHBondContact NZ-OE1 2.89Å; E494-A496 PolarHBondContact O-N 2.92Å; E494-Y505 CarbonylContact O-C 3.55Å; E494-Y505 VanDerWaalsContact O-CA 3.23Å; E494-Y505 WeakPolarHBondContact O-CA 3.41Å; E494-R506 HydrophobicContact CB-CB 4.35Å; E494-R506 PolarHBondContact N-O 2.85Å; E494-R506 PolarHBondContact O-N 2.88Å |
| 495 | H | 90.9 | Very high | 83.1 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 129.5 | 169.7 | -174.4 | -96.2 | 0 | 0 | 0 | 109.4 | S498 E503 Y505 | H495-S498 PolarHBondContact CE1-OG 2.87Å; H495-S498 VanDerWaalsContact CE1-OG 3.24Å; H495-S498 PolarHBondContact NE2-OG 2.8Å; H495-E503 IonicContact CD2-OE2 3.98Å; H495-E503 IonicContact CE1-OE2 3.93Å; H495-E503 IonicContact NE2-OE2 3.74Å; H495-E503 PolarHBondContact NE2-OE2 3.42Å; H495-Y505 HydrophobicContact CB-CD1 4.08Å; H495-Y505 HydrophobicContact CB-CE1 3.95Å; H495-Y505 AromaticContact CD2-CE1 3.83Å; H495-Y505 AromaticContact CD2-CZ 3.89Å |
| 496 | A | 85.2 | Confident | 83.4 | Confident | 61 Ų | 61 | 80.5 Ų | 80.5 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -42.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E494 I504 | E494-A496 PolarHBondContact O-N 2.92Å; A496-I504 WeakPolarHBondContact CA-O 3.09Å; A496-I504 WeakPolarHBondContact CB-O 3.47Å; A496-I504 PolarHBondContact N-O 3.24Å |
| 497 | N | 86 | Confident | 84.4 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 156.3 | 175 | -159.5 | 6.6 | 0 | 0 | 0 | 112.4 | I504 | N497-I504 PolarHBondContact N-O 2.91Å; N497-I504 WeakPolarHBondContact O-CB 3.09Å; N497-I504 PolarHBondContact O-N 3.24Å |
| 498 | S | 86.3 | Confident | 85.8 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119 | 172.6 | -50.8 | 0 | 0 | 0 | 0 | 109.2 | H495 E503 | H495-S498 PolarHBondContact CE1-OG 2.87Å; H495-S498 VanDerWaalsContact CE1-OG 3.24Å; H495-S498 PolarHBondContact NE2-OG 2.8Å; S498-E503 VanDerWaalsContact CB-OE1 3.27Å; S498-E503 WeakPolarHBondContact CB-OE1 3.29Å; S498-E503 VanDerWaalsContact CB-OE2 3.27Å; S498-E503 WeakPolarHBondContact CB-OE2 3.41Å; S498-E503 PolarHBondContact OG-OE1 2.76Å; S498-E503 PolarHBondContact OG-OE2 3.32Å |
| 499 | A | 76.7 | Confident | 86.9 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | trans | -145.7 | 113.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R502 | A499-R502 PolarHBondContact N-O 2.56Å; A499-R502 WeakPolarHBondContact O-CB 3.49Å; A499-R502 PolarHBondContact O-N 2.85Å | ||
| 500 | K | 76.5 | Confident | 87.5 | Confident | 214 Ų | 214 | 59.7 Ų | 59.7 | 93% | 0.93 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 56.3 | 47.7 | 176.5 | -56.3 | -177.6 | 177.5 | -177.7 | 0 | 113.9 | ||
| 501 | G | 76.4 | Confident | 87.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 69.8 | 33.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 502 | R | 86.8 | Confident | 87.3 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | trans | -139.4 | 128 | 177.6 | -55 | 179.3 | 177.3 | -161.5 | -6 | 109.7 | W420 I468 S469 A499 | W420-R502 HydrophobicContact CH2-CG 3.88Å; W420-R502 HydrophobicContact CZ2-CG 4Å; I468-R502 HydrophobicContact CG2-CB 4.06Å; S469-R502 CarbonylContact O-C 3.57Å; S469-R502 VanDerWaalsContact O-CA 3.22Å; S469-R502 WeakPolarHBondContact O-CA 3.28Å; A499-R502 PolarHBondContact N-O 2.56Å; A499-R502 WeakPolarHBondContact O-CB 3.49Å; A499-R502 PolarHBondContact O-N 2.85Å | ||
| 503 | E | 89.7 | Confident | 87.1 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.8 | 176.1 | -58.9 | -50 | 117.2 | 0 | 0 | 108.9 | I468 S469 H495 S498 Y505 | I468-E503 WeakPolarHBondContact CA-O 3.17Å; S469-E503 PolarHBondContact N-O 2.81Å; S469-E503 PolarHBondContact O-N 2.9Å; H495-E503 IonicContact CD2-OE2 3.98Å; H495-E503 IonicContact CE1-OE2 3.93Å; H495-E503 IonicContact NE2-OE2 3.74Å; H495-E503 PolarHBondContact NE2-OE2 3.42Å; S498-E503 VanDerWaalsContact CB-OE1 3.27Å; S498-E503 WeakPolarHBondContact CB-OE1 3.29Å; S498-E503 VanDerWaalsContact CB-OE2 3.27Å; S498-E503 WeakPolarHBondContact CB-OE2 3.41Å; S498-E503 PolarHBondContact OG-OE1 2.76Å; S498-E503 PolarHBondContact OG-OE2 3.32Å; E503-Y505 HydrophobicContact CB-CD2 4.43Å; E503-Y505 HydrophobicContact CB-CE2 3.7Å |
| 504 | I | 91.4 | Very high | 87 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120 | -176.5 | -54.3 | 178.6 | 0 | 0 | 0 | 107.9 | I468 A496 N497 | I468-I504 HydrophobicContact CG1-CG1 4.35Å; I468-I504 HydrophobicContact CG1-CG2 4.46Å; I468-I504 HydrophobicContact CG2-CG1 4.43Å; A496-I504 WeakPolarHBondContact CA-O 3.09Å; A496-I504 WeakPolarHBondContact CB-O 3.47Å; A496-I504 PolarHBondContact N-O 3.24Å; N497-I504 PolarHBondContact N-O 2.91Å; N497-I504 WeakPolarHBondContact O-CB 3.09Å; N497-I504 PolarHBondContact O-N 3.24Å |
| 505 | Y | 92 | Very high | 86.8 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.5 | 176.3 | -61.9 | -96.5 | 0 | 0 | 0 | 111.1 | I467 C482 L493 E494 H495 E503 | I467-Y505 PolarHBondContact N-O 2.82Å; I467-Y505 PolarHBondContact O-N 3.41Å; C482-Y505 HydrophobicContact CB-CD2 3.98Å; C482-Y505 HydrophobicContact CB-CE1 4.35Å; C482-Y505 HydrophobicContact CB-CE2 3.58Å; C482-Y505 PolarHBondContact N-OH 3.04Å; L493-Y505 HydrophobicContact CD1-CG 4.3Å; L493-Y505 HydrophobicContact CD2-CD1 4.08Å; L493-Y505 HydrophobicContact CD2-CG 4.26Å; L493-Y505 HydrophobicContact CG-CD1 3.9Å; L493-Y505 HydrophobicContact CG-CG 4.12Å; E494-Y505 CarbonylContact O-C 3.55Å; E494-Y505 VanDerWaalsContact O-CA 3.23Å; E494-Y505 WeakPolarHBondContact O-CA 3.41Å; H495-Y505 HydrophobicContact CB-CD1 4.08Å; H495-Y505 HydrophobicContact CB-CE1 3.95Å; H495-Y505 AromaticContact CD2-CE1 3.83Å; H495-Y505 AromaticContact CD2-CZ 3.89Å; E503-Y505 HydrophobicContact CB-CD2 4.43Å; E503-Y505 HydrophobicContact CB-CE2 3.7Å |
| 506 | R | 91.3 | Very high | 86.6 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.5 | 171.7 | 179.1 | -176.5 | 175.4 | 154.4 | -7 | 108.9 | G461 N463 E494 | G461-R506 PolarHBondContact O-NH2 3.01Å; N463-R506 VanDerWaalsContact OD1-CG 3.28Å; N463-R506 WeakPolarHBondContact OD1-CG 3.47Å; E494-R506 HydrophobicContact CB-CB 4.35Å; E494-R506 PolarHBondContact N-O 2.85Å; E494-R506 PolarHBondContact O-N 2.88Å |
| 507 | L | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.3 | 167.5 | -177.1 | 63.6 | 0 | 0 | 0 | 109.2 | N463 I464 G465 I467 L484 F491 I525 I543 | N463-L507 PolarHBondContact OD1-O 3.19Å; I464-L507 HydrophobicContact CB-CD2 4.3Å; I464-L507 HydrophobicContact CB-CG 4.33Å; I464-L507 HydrophobicContact CD1-CD2 4.34Å; I464-L507 HydrophobicContact CD1-CG 4.19Å; I464-L507 HydrophobicContact CG1-CG 4.42Å; I464-L507 PolarHBondContact N-O 2.85Å; G465-L507 PolarHBondContact O-N 2.82Å; G465-L507 VanDerWaalsContact O-N 3.07Å; I467-L507 HydrophobicContact CD1-CB 3.87Å; I467-L507 HydrophobicContact CD1-CD2 4.44Å; L484-L507 HydrophobicContact CD2-CD1 4.35Å; F491-L507 HydrophobicContact CB-CD1 4.44Å; L507-I525 HydrophobicContact CD2-CD1 4.17Å; L507-I543 HydrophobicContact CD2-CD1 3.77Å |
| 508 | S | 91 | Very high | 86.4 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.8 | -179.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | T462 F491 K492 | T462-S508 WeakPolarHBondContact O-CA 3.46Å; T462-S508 WeakPolarHBondContact O-CB 3.21Å; F491-S508 WeakPolarHBondContact CA-O 3.45Å; K492-S508 PolarHBondContact N-O 2.84Å; K492-S508 PolarHBondContact O-N 3.04Å |
| 509 | T | 91.2 | Very high | 86 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 147.4 | 168.6 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | I454 P459 G461 T462 I464 F491 K511 L513 | I454-T509 HydrophobicContact CD1-CG2 3.9Å; P459-T509 PolarHBondContact O-OG1 2.85Å; G461-T509 VanDerWaalsContact CA-O 3.28Å; G461-T509 WeakPolarHBondContact CA-O 3.27Å; G461-T509 PolarHBondContact N-O 2.91Å; G461-T509 PolarHBondContact N-OG1 2.96Å; T462-T509 PolarHBondContact N-OG1 2.74Å; T462-T509 PolarHBondContact O-N 2.58Å; T462-T509 VanDerWaalsContact O-N 3.15Å; I464-T509 HydrophobicContact CD1-CG2 3.95Å; I464-T509 HydrophobicContact CG1-CG2 4.36Å; F491-T509 HydrophobicContact CE1-CG2 4.23Å; T509-K511 WeakPolarHBondContact CB-O 3.48Å; T509-L513 HydrophobicContact CG2-CD1 4.23Å; T509-L513 HydrophobicContact CG2-CG 4.27Å |
| 510 | T | 88.4 | Confident | 86.2 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -100.9 | -23 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | A460 E489 D490 K492 | A460-T510 WeakPolarHBondContact CB-O 3.27Å; E489-T510 WeakPolarHBondContact O-CB 3.45Å; E489-T510 WeakPolarHBondContact O-CG2 3.23Å; E489-T510 PolarHBondContact O-OG1 2.92Å; D490-T510 WeakPolarHBondContact CA-OG1 3.4Å; D490-T510 PolarHBondContact O-N 3.28Å; D490-T510 PolarHBondContact O-OG1 3.01Å; D490-T510 VanDerWaalsContact O-OG1 3.07Å; K492-T510 HydrophobicContact CB-CG2 3.89Å |
| 511 | K | 85.4 | Confident | 86.5 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -130.7 | 172.9 | 178.7 | 61.5 | 171.9 | -155 | -158.3 | 0 | 109.2 | D490 T509 | D490-K511 HydrophobicContact CB-CD 4.46Å; D490-K511 WeakPolarHBondContact OD1-CD 3.22Å; D490-K511 WeakPolarHBondContact OD1-CE 3.42Å; D490-K511 IonicContact OD1-NZ 2.64Å; D490-K511 PolarHBondContact OD1-NZ 3.07Å; D490-K511 WeakPolarHBondContact OD2-CE 3.38Å; D490-K511 IonicContact OD2-NZ 3.75Å; D490-K511 PolarHBondContact OD2-NZ 2.77Å; T509-K511 WeakPolarHBondContact CB-O 3.48Å |
| 512 | S | 85.3 | Confident | 87 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | trans | -65.4 | 146 | 162.7 | -147.9 | 0 | 0 | 0 | 0 | 109.2 | E456 | E456-S512 PolarHBondContact O-OG 2.8Š| ||
| 513 | L | 87.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | trans | -85.9 | 170 | 162.4 | -59.4 | -178.7 | 0 | 0 | 0 | 109.1 | I454 F491 T509 I523 L545 I547 | I454-L513 HydrophobicContact CG2-CD1 3.75Å; F491-L513 HydrophobicContact CE1-CD1 4.44Å; F491-L513 HydrophobicContact CZ-CD1 4.39Å; F491-L513 HydrophobicContact CZ-CD2 4.09Å; T509-L513 HydrophobicContact CG2-CD1 4.23Å; T509-L513 HydrophobicContact CG2-CG 4.27Å; L513-I523 HydrophobicContact CD2-CD1 4.28Å; L513-L545 HydrophobicContact CD1-CD2 4.15Å; L513-I547 HydrophobicContact CB-CD1 4.36Å; L513-I547 HydrophobicContact CD1-CD1 4.26Å; L513-I547 HydrophobicContact CD1-CG1 4.24Å | ||
| 514 | D | 87.3 | Confident | 87 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | trans | -158 | 119.2 | -171.9 | 160.5 | -43.3 | 0 | 0 | 0 | 102.8 | E516 T517 | D514-E516 PolarHBondContact OD1-N 2.78Å; D514-T517 VanDerWaalsContact CG-OG1 3.26Å; D514-T517 PolarHBondContact O-OG1 2.83Å; D514-T517 VanDerWaalsContact O-OG1 3.11Å; D514-T517 VanDerWaalsContact OD1-CB 3.25Å; D514-T517 WeakPolarHBondContact OD1-CB 3.34Å; D514-T517 WeakPolarHBondContact OD1-CG2 3.5Å; D514-T517 PolarHBondContact OD1-N 3.41Å; D514-T517 PolarHBondContact OD1-OG1 3.27Å | ||
| 515 | R | 86.7 | Confident | 86.9 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -80.3 | -36.3 | -169.7 | -169.9 | -87.6 | 174.4 | 129 | -9.5 | 110.6 | E456 T517 V518 I547 D549 S588 | E456-R515 VanDerWaalsContact CD-CB 3.48Å; E456-R515 WeakPolarHBondContact OE1-CB 3.25Å; E456-R515 WeakPolarHBondContact OE2-CB 3.48Å; E456-R515 PolarHBondContact OE2-N 3.36Å; R515-T517 VanDerWaalsContact C-N 3.28Å; R515-T517 PolarHBondContact O-N 3.19Å; R515-V518 PolarHBondContact O-N 3.36Å; R515-I547 HydrophobicContact CB-CB 4.49Å; R515-I547 HydrophobicContact CB-CG2 3.73Å; R515-I547 HydrophobicContact CG-CB 4.16Å; R515-I547 HydrophobicContact CG-CG2 3.84Å; R515-D549 WeakPolarHBondContact CD-OD1 3.28Å; R515-D549 IonicContact CZ-OD1 3.61Å; R515-D549 IonicContact NE-OD1 2.69Å; R515-D549 IonicContact NH1-OD1 2.91Å; R515-D549 PolarHBondContact NH1-OD1 3.42Å; R515-D549 IonicContact NH1-OD2 3.9Å; R515-D549 PolarHBondContact NH1-OD2 2.96Å; R515-S588 PolarHBondContact NH1-O 2.83Å; R515-S588 PolarHBondContact NH2-O 3.37Å |
| 516 | E | 85.7 | Confident | 86.9 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -30.7 | 179.8 | -81.7 | 51.4 | -106.7 | 0 | 0 | 113.4 | D514 V518 Y553 A586 S588 | D514-E516 PolarHBondContact OD1-N 2.78Å; E516-V518 VanDerWaalsContact C-N 3.25Å; E516-V518 PolarHBondContact O-N 3.04Å; E516-Y553 HydrophobicContact CB-CE2 4.5Å; E516-Y553 HydrophobicContact CG-CD2 4.25Å; E516-Y553 HydrophobicContact CG-CE2 3.78Å; E516-A586 WeakPolarHBondContact CG-O 3.01Å; E516-S588 WeakPolarHBondContact OE1-CA 3.43Å; E516-S588 WeakPolarHBondContact OE1-CB 3.37Å; E516-S588 PolarHBondContact OE1-N 3.37Å; E516-S588 PolarHBondContact OE1-OG 2.66Å |
| 517 | T | 84.7 | Confident | 86.9 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 64% | 0.638 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.3 | 173.9 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | D514 R515 | D514-T517 VanDerWaalsContact CG-OG1 3.26Å; D514-T517 PolarHBondContact O-OG1 2.83Å; D514-T517 VanDerWaalsContact O-OG1 3.11Å; D514-T517 VanDerWaalsContact OD1-CB 3.25Å; D514-T517 WeakPolarHBondContact OD1-CB 3.34Å; D514-T517 WeakPolarHBondContact OD1-CG2 3.5Å; D514-T517 PolarHBondContact OD1-N 3.41Å; D514-T517 PolarHBondContact OD1-OG1 3.27Å; R515-T517 VanDerWaalsContact C-N 3.28Å; R515-T517 PolarHBondContact O-N 3.19Å |
| 518 | V | 83 | Confident | 86.9 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -111.4 | 104.7 | -174.2 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | R515 E516 D520 G521 I523 I547 | R515-V518 PolarHBondContact O-N 3.36Å; E516-V518 VanDerWaalsContact C-N 3.25Å; E516-V518 PolarHBondContact O-N 3.04Å; V518-D520 PolarHBondContact O-N 3.18Å; V518-G521 PolarHBondContact O-N 3.34Å; V518-I523 HydrophobicContact CG1-CG1 3.91Å; V518-I523 HydrophobicContact CG2-CD1 4.19Å; V518-I523 HydrophobicContact CG2-CG1 4.3Å; V518-I547 HydrophobicContact CB-CD1 4.08Å; V518-I547 HydrophobicContact CG1-CD1 4.23Å; V518-I547 HydrophobicContact CG2-CD1 3.74Å |
| 519 | I | 77.4 | Confident | 87 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 74% | 0.744 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -53.2 | 133.1 | 172.3 | -56.6 | 175.1 | 0 | 0 | 0 | 109.8 | G521 | I519-G521 PolarHBondContact O-N 2.9Š|
| 520 | D | 81.6 | Confident | 87.1 | Confident | 145 Ų | 145 | 58.2 Ų | 58.2 | 78% | 0.775 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | 60.8 | -2.2 | -173.5 | -53.1 | -33.4 | 0 | 0 | 0 | 115.9 | V518 I522 | V518-D520 PolarHBondContact O-N 3.18Å; D520-I522 PolarHBondContact O-N 2.93Å |
| 521 | G | 83 | Confident | 87.3 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | 69.5 | 11.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V518 I519 I547 | V518-G521 PolarHBondContact O-N 3.34Å; I519-G521 PolarHBondContact O-N 2.9Å; G521-I547 PolarHBondContact O-N 2.88Å |
| 522 | I | 87.2 | Confident | 87.5 | Confident | 70 Ų | 70 | 55 Ų | 55 | 36% | 0.359 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.8 | -174.3 | -57.5 | 176.7 | 0 | 0 | 0 | 111.1 | D520 L544 L545 | D520-I522 PolarHBondContact O-N 2.93Å; I522-L544 HydrophobicContact CG2-CB 3.91Å; I522-L544 HydrophobicContact CG2-CD2 4.13Å; I522-L544 HydrophobicContact CG2-CG 4.45Å; I522-L545 WeakPolarHBondContact CA-O 3.27Å |
| 523 | I | 88 | Confident | 87.6 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.9 | 171 | -60.9 | 177.9 | 0 | 0 | 0 | 110.2 | F491 L513 V518 I525 L545 I547 | F491-I523 HydrophobicContact CE2-CD1 4.12Å; F491-I523 HydrophobicContact CE2-CG2 3.79Å; F491-I523 HydrophobicContact CZ-CD1 3.83Å; F491-I523 HydrophobicContact CZ-CG2 4.11Å; L513-I523 HydrophobicContact CD2-CD1 4.28Å; V518-I523 HydrophobicContact CG1-CG1 3.91Å; V518-I523 HydrophobicContact CG2-CD1 4.19Å; V518-I523 HydrophobicContact CG2-CG1 4.3Å; I523-I525 HydrophobicContact CG2-CG1 4.02Å; I523-L545 HydrophobicContact CB-CB 4.37Å; I523-L545 PolarHBondContact N-O 3.14Å; I523-L545 PolarHBondContact O-N 3.07Å; I523-I547 HydrophobicContact CD1-CD1 3.9Å; I523-I547 HydrophobicContact CG1-CD1 4.22Å |
| 524 | R | 88.5 | Confident | 87.5 | Confident | 146 Ų | 146 | 61.7 Ų | 61.7 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.6 | 174.9 | -72.8 | 176.4 | 164.3 | -80.8 | -10.3 | 110.5 | E449 L544 | E449-R524 IonicContact OE1-CZ 3.73Å; E449-R524 IonicContact OE1-NH1 3.34Å; E449-R524 PolarHBondContact OE1-NH1 3.24Å; E449-R524 IonicContact OE1-NH2 3.03Å; E449-R524 PolarHBondContact OE1-NH2 2.82Å; E449-R524 VanDerWaalsContact OE1-NH2 3.08Å; E449-R524 IonicContact OE2-NH2 3.58Å; R524-L544 HydrophobicContact CG-CD2 3.78Å |
| 525 | I | 89.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.1 | 176.6 | -53.9 | 174.6 | 0 | 0 | 0 | 108.1 | L484 F491 L507 I523 I543 L545 | L484-I525 HydrophobicContact CD2-CG2 3.88Å; F491-I525 HydrophobicContact CD1-CD1 3.71Å; F491-I525 HydrophobicContact CD2-CD1 4.02Å; F491-I525 HydrophobicContact CD2-CG1 4.24Å; F491-I525 HydrophobicContact CE1-CD1 3.74Å; F491-I525 HydrophobicContact CE2-CD1 4.08Å; F491-I525 HydrophobicContact CE2-CG1 4.28Å; F491-I525 HydrophobicContact CG-CD1 3.87Å; F491-I525 HydrophobicContact CZ-CD1 3.94Å; L507-I525 HydrophobicContact CD2-CD1 4.17Å; I523-I525 HydrophobicContact CG2-CG1 4.02Å; I525-I543 HydrophobicContact CB-CB 4.27Å; I525-I543 PolarHBondContact N-O 2.95Å; I525-I543 PolarHBondContact O-N 3.13Å; I525-L545 HydrophobicContact CD1-CB 4.25Å; I525-L545 HydrophobicContact CD1-CD2 3.98Å |
| 526 | V | 90.3 | Very high | 87.8 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.9 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | K485 E540 | K485-V526 HydrophobicContact CB-CB 3.92Å; K485-V526 HydrophobicContact CB-CG1 3.98Å; K485-V526 HydrophobicContact CD-CB 4.29Å; K485-V526 HydrophobicContact CD-CG1 3.75Å; K485-V526 PolarHBondContact N-O 2.92Å; V526-E540 HydrophobicContact CG1-CB 4.28Å |
| 527 | I | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.8 | 172.7 | -59 | 152.2 | 0 | 0 | 0 | 107.9 | I421 I423 I467 C482 G483 L484 E540 Q541 I543 | I421-I527 HydrophobicContact CD1-CG2 4.27Å; I423-I527 HydrophobicContact CD1-CD1 3.95Å; I467-I527 HydrophobicContact CD1-CD1 3.39Å; I467-I527 HydrophobicContact CD1-CG1 3.93Å; I467-I527 HydrophobicContact CG1-CD1 3.68Å; I467-I527 HydrophobicContact CG2-CD1 4.2Å; I467-I527 HydrophobicContact CG2-CG2 4.46Å; C482-I527 HydrophobicContact CB-CG2 4.44Å; G483-I527 WeakPolarHBondContact O-CA 3.28Å; L484-I527 HydrophobicContact CD2-CG1 4.47Å; I527-E540 VanDerWaalsContact O-CA 3.29Å; I527-E540 WeakPolarHBondContact O-CA 3.33Å; I527-Q541 PolarHBondContact N-O 3.23Å; I527-Q541 PolarHBondContact O-N 2.89Å; I527-I543 HydrophobicContact CD1-CD1 3.63Å; I527-I543 HydrophobicContact CD1-CG1 4.24Å |
| 528 | T | 92.4 | Very high | 88.4 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.4 | 171.5 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | C482 G483 K485 S539 E540 | C482-T528 CarbonylContact C-O 3.41Å; C482-T528 WeakPolarHBondContact CA-O 3.23Å; G483-T528 PolarHBondContact N-O 3.09Å; G483-T528 PolarHBondContact O-N 2.67Å; G483-T528 PolarHBondContact O-OG1 2.85Å; K485-T528 HydrophobicContact CB-CG2 3.67Å; K485-T528 HydrophobicContact CD-CG2 4.04Å; K485-T528 HydrophobicContact CG-CG2 3.88Å; T528-S539 WeakPolarHBondContact CA-O 3.49Å; T528-E540 HydrophobicContact CG2-CG 4.09Å |
| 529 | C | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.7 | 174.8 | -66.1 | 0 | 0 | 0 | 0 | 109.4 | P419 I421 V480 C482 T538 S539 | P419-C529 HydrophobicContact CB-CB 4.15Å; I421-C529 HydrophobicContact CD1-CB 3.96Å; I421-C529 VanDerWaalsContact CD1-SG 3.54Å; I421-C529 HydrophobicContact CG1-CB 4.18Å; V480-C529 HydrophobicContact CG1-CB 3.72Å; C482-C529 HydrophobicContact CB-CB 4.17Å; C482-C529 WeakPolarHBondContact CB-SG 3.47Å; C482-C529 WeakPolarHBondContact SG-CB 3.37Å; C482-C529 CovalentContact SG-SG 2.04Å; C482-C529 PolarHBondContact SG-SG 2.94Å; C529-T538 CarbonylContact O-C 3.47Å; C529-T538 VanDerWaalsContact O-CA 3.28Å; C529-T538 WeakPolarHBondContact O-CA 3.19Å; C529-S539 PolarHBondContact N-O 3.04Å; C529-S539 PolarHBondContact O-N 2.77Å |
| 530 | Q | 93 | Very high | 89.5 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.4 | -174.3 | -178 | 174.3 | 9 | 0 | 0 | 109.8 | V480 S481 S536 R537 T538 | V480-Q530 CarbonylContact C-O 3.47Å; V480-Q530 WeakPolarHBondContact CA-O 3.18Å; S481-Q530 PolarHBondContact N-O 2.67Å; S481-Q530 PolarHBondContact O-N 2.77Å; Q530-S536 PolarHBondContact NE2-OG 2.94Å; Q530-R537 WeakPolarHBondContact CA-O 3.05Å; Q530-T538 HydrophobicContact CB-CG2 3.96Å; Q530-T538 HydrophobicContact CG-CG2 3.76Å |
| 531 | D | 93.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -77.6 | 176.3 | 172 | 60.6 | 46.9 | 0 | 0 | 0 | 112.7 | N415 P419 N477 I479 G533 S536 R537 | N415-D531 PolarHBondContact ND2-OD2 2.78Å; P419-D531 HydrophobicContact CG-CB 4.15Å; N477-D531 WeakPolarHBondContact O-CB 3.46Å; I479-D531 CarbonylContact O-C 3.59Å; I479-D531 WeakPolarHBondContact O-CA 3.43Å; D531-G533 VanDerWaalsContact C-N 3.33Å; D531-G533 VanDerWaalsContact OD1-CA 3.3Å; D531-G533 WeakPolarHBondContact OD1-CA 3.37Å; D531-G533 PolarHBondContact OD1-N 2.88Å; D531-S536 WeakPolarHBondContact OD1-CA 3.24Å; D531-S536 WeakPolarHBondContact OD1-CB 3.42Å; D531-R537 VanDerWaalsContact CG-N 3.27Å; D531-R537 PolarHBondContact N-O 2.78Å; D531-R537 PolarHBondContact OD1-N 3.3Å; D531-R537 WeakPolarHBondContact OD2-CA 3.16Å; D531-R537 VanDerWaalsContact OD2-CB 3.25Å; D531-R537 WeakPolarHBondContact OD2-CB 3.44Å; D531-R537 PolarHBondContact OD2-N 3.03Å | ||
| 532 | N | 89.9 | Confident | 90.2 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -96.4 | 18.4 | 169 | -71.6 | -80.8 | 0 | 0 | 0 | 113 | E476 I479 | E476-N532 WeakPolarHBondContact O-CB 3.41Å; I479-N532 WeakPolarHBondContact CG2-ND2 3.4Å; I479-N532 PolarHBondContact O-N 2.79Å; I479-N532 PolarHBondContact O-ND2 3.08Å |
| 533 | G | 87.3 | Confident | 90.3 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | trans | -66.7 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N415 D531 P535 S536 | N415-G533 WeakPolarHBondContact OD1-CA 3.46Å; D531-G533 VanDerWaalsContact C-N 3.33Å; D531-G533 VanDerWaalsContact OD1-CA 3.3Å; D531-G533 WeakPolarHBondContact OD1-CA 3.37Å; D531-G533 PolarHBondContact OD1-N 2.88Å; G533-P535 CarbonylContact O-C 3.36Å; G533-S536 WeakPolarHBondContact O-CA 3.33Å; G533-S536 WeakPolarHBondContact O-CB 3.22Å; G533-S536 PolarHBondContact O-N 3.15Å; G533-S536 VanDerWaalsContact O-N 3.11Å | ||
| 534 | R | 85.6 | Confident | 90.3 | Very high | 213 Ų | 213 | 54.6 Ų | 54.6 | 80% | 0.804 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.2 | 97.4 | 179.6 | -60.4 | -172 | -166.1 | -178.1 | 10.5 | 111.6 | ||
| 535 | P | 88.7 | Confident | 90.3 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 73% | 0.734 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -67.4 | 144.7 | -0.8 | 30.6 | -36 | 0 | 0 | 0 | 111.9 | G533 | G533-P535 CarbonylContact O-C 3.36Š|
| 536 | S | 90.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -75.4 | 141.8 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | Q530 D531 G533 | Q530-S536 PolarHBondContact NE2-OG 2.94Å; D531-S536 WeakPolarHBondContact OD1-CA 3.24Å; D531-S536 WeakPolarHBondContact OD1-CB 3.42Å; G533-S536 WeakPolarHBondContact O-CA 3.33Å; G533-S536 WeakPolarHBondContact O-CB 3.22Å; G533-S536 PolarHBondContact O-N 3.15Å; G533-S536 VanDerWaalsContact O-N 3.11Å | ||
| 537 | R | 91.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 27% | 0.272 | 25% | 0.25 | S | C | . | . | trans | -108 | 163.1 | 176.7 | -61.6 | 169.2 | 68.9 | 169.2 | -15.4 | 111.1 | N415 D416 H417 D418 Q530 D531 | N415-R537 WeakPolarHBondContact ND2-CD 3.36Å; N415-R537 VanDerWaalsContact O-CD 3.29Å; N415-R537 WeakPolarHBondContact O-CD 3.47Å; N415-R537 PolarHBondContact O-NH1 3.36Å; D416-R537 VanDerWaalsContact CA-NH1 3.26Å; D416-R537 PolarHBondContact O-NH1 3.47Å; D416-R537 PolarHBondContact O-NH2 3.18Å; H417-R537 WeakPolarHBondContact O-CD 3.14Å; H417-R537 PolarHBondContact O-NE 3.48Å; H417-R537 PolarHBondContact O-NH1 2.96Å; H417-R537 PolarHBondContact O-NH2 3.45Å; D418-R537 WeakPolarHBondContact OD1-CB 3.12Å; D418-R537 IonicContact OD1-CZ 3.22Å; D418-R537 IonicContact OD1-NE 2.86Å; D418-R537 PolarHBondContact OD1-NE 3.18Å; D418-R537 IonicContact OD1-NH2 2.88Å; D418-R537 PolarHBondContact OD1-NH2 3.32Å; D418-R537 IonicContact OD2-CZ 3.69Å; D418-R537 IonicContact OD2-NE 3.68Å; D418-R537 IonicContact OD2-NH2 2.66Å; D418-R537 PolarHBondContact OD2-NH2 2.98Å; Q530-R537 WeakPolarHBondContact CA-O 3.05Å; D531-R537 VanDerWaalsContact CG-N 3.27Å; D531-R537 PolarHBondContact N-O 2.78Å; D531-R537 PolarHBondContact OD1-N 3.3Å; D531-R537 WeakPolarHBondContact OD2-CA 3.16Å; D531-R537 VanDerWaalsContact OD2-CB 3.25Å; D531-R537 WeakPolarHBondContact OD2-CB 3.44Å; D531-R537 PolarHBondContact OD2-N 3.03Å | ||
| 538 | T | 92.2 | Very high | 89.8 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 127.6 | -166 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | C529 Q530 | C529-T538 CarbonylContact O-C 3.47Å; C529-T538 VanDerWaalsContact O-CA 3.28Å; C529-T538 WeakPolarHBondContact O-CA 3.19Å; Q530-T538 HydrophobicContact CB-CG2 3.96Å; Q530-T538 HydrophobicContact CG-CG2 3.76Å |
| 539 | S | 92.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 152.1 | 169.1 | 62 | 0 | 0 | 0 | 0 | 111.5 | P419 I421 T528 C529 | P419-S539 WeakPolarHBondContact O-CB 3.38Å; P419-S539 PolarHBondContact O-OG 3.38Å; I421-S539 WeakPolarHBondContact CD1-OG 3.08Å; T528-S539 WeakPolarHBondContact CA-O 3.49Å; C529-S539 PolarHBondContact N-O 3.04Å; C529-S539 PolarHBondContact O-N 2.77Å |
| 540 | E | 91.4 | Very high | 88.4 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.2 | 173.8 | -51.6 | -161.4 | 160.2 | 0 | 0 | 110 | K485 V526 I527 T528 | K485-E540 WeakPolarHBondContact CD-OE1 3.35Å; K485-E540 WeakPolarHBondContact CE-OE1 3.43Å; K485-E540 IonicContact NZ-OE1 2.73Å; K485-E540 PolarHBondContact NZ-OE1 3.25Å; K485-E540 IonicContact NZ-OE2 2.66Å; K485-E540 PolarHBondContact NZ-OE2 3.38Å; V526-E540 HydrophobicContact CG1-CB 4.28Å; I527-E540 VanDerWaalsContact O-CA 3.29Å; I527-E540 WeakPolarHBondContact O-CA 3.33Å; T528-E540 HydrophobicContact CG2-CG 4.09Å |
| 541 | Q | 88.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.7 | 175.4 | 179.8 | 57.9 | 47.6 | 0 | 0 | 109.8 | I421 I423 Q448 I527 | I421-Q541 HydrophobicContact CB-CB 4.28Å; I421-Q541 HydrophobicContact CD1-CB 3.78Å; I421-Q541 HydrophobicContact CG2-CB 4.21Å; I421-Q541 HydrophobicContact CG2-CG 4.46Å; I423-Q541 HydrophobicContact CD1-CB 4.4Å; I423-Q541 HydrophobicContact CD1-CG 3.39Å; Q448-Q541 PolarHBondContact O-NE2 3.27Å; I527-Q541 PolarHBondContact N-O 3.23Å; I527-Q541 PolarHBondContact O-N 2.89Å |
| 542 | T | 89.2 | Confident | 86.7 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.6 | 177.2 | -60 | 0 | 0 | 0 | 0 | 110.2 | A450 L544 | A450-T542 PolarHBondContact N-O 2.56Å; T542-L544 HydrophobicContact CG2-CD2 4.37Å |
| 543 | I | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.3 | 165.4 | -69.5 | 170.6 | 0 | 0 | 0 | 108.3 | I423 A450 L452 L507 I525 I527 L545 | I423-I543 HydrophobicContact CD1-CD1 3.97Å; I423-I543 HydrophobicContact CD1-CG1 3.72Å; I423-I543 HydrophobicContact CG2-CD1 4.17Å; I423-I543 HydrophobicContact CG2-CG1 4.44Å; A450-I543 HydrophobicContact CB-CG1 4.18Å; A450-I543 CarbonylContact O-C 3.53Å; A450-I543 VanDerWaalsContact O-CA 3.25Å; A450-I543 WeakPolarHBondContact O-CA 3.48Å; L452-I543 HydrophobicContact CB-CG2 4.34Å; L452-I543 HydrophobicContact CD1-CD1 4.05Å; L452-I543 HydrophobicContact CD1-CG2 4.02Å; L452-I543 HydrophobicContact CG-CG2 4.22Å; L507-I543 HydrophobicContact CD2-CD1 3.77Å; I525-I543 HydrophobicContact CB-CB 4.27Å; I525-I543 PolarHBondContact N-O 2.95Å; I525-I543 PolarHBondContact O-N 3.13Å; I527-I543 HydrophobicContact CD1-CD1 3.63Å; I527-I543 HydrophobicContact CD1-CG1 4.24Å; I543-L545 HydrophobicContact CG2-CB 4.41Å |
| 544 | L | 89.4 | Confident | 85.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 109.6 | 158.8 | -56.1 | -173.3 | 0 | 0 | 0 | 107.6 | E449 A450 Q451 L452 I522 R524 T542 | E449-L544 HydrophobicContact CB-CD1 4.24Å; E449-L544 HydrophobicContact CB-CG 4.07Å; A450-L544 PolarHBondContact O-N 2.66Å; Q451-L544 HydrophobicContact CG-CB 4.46Å; L452-L544 PolarHBondContact N-O 2.94Å; I522-L544 HydrophobicContact CG2-CB 3.91Å; I522-L544 HydrophobicContact CG2-CD2 4.13Å; I522-L544 HydrophobicContact CG2-CG 4.45Å; R524-L544 HydrophobicContact CG-CD2 3.78Å; T542-L544 HydrophobicContact CG2-CD2 4.37Å |
| 545 | L | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 103.9 | 172.5 | -179.6 | 61.2 | 0 | 0 | 0 | 108.3 | L452 I454 I464 F491 L513 I522 I523 I525 I543 | L452-L545 HydrophobicContact CB-CD1 4.13Å; L452-L545 WeakPolarHBondContact O-CA 3.16Å; I454-L545 HydrophobicContact CB-CD1 4.14Å; I454-L545 HydrophobicContact CG2-CD1 3.64Å; I454-L545 HydrophobicContact CG2-CD2 4.06Å; I454-L545 HydrophobicContact CG2-CG 3.94Å; I464-L545 HydrophobicContact CD1-CD2 3.82Å; I464-L545 HydrophobicContact CG2-CD1 3.57Å; F491-L545 HydrophobicContact CE1-CD2 3.49Å; F491-L545 VanDerWaalsContact CE1-CD2 3.49Å; F491-L545 HydrophobicContact CZ-CD2 3.71Å; L513-L545 HydrophobicContact CD1-CD2 4.15Å; I522-L545 WeakPolarHBondContact CA-O 3.27Å; I523-L545 HydrophobicContact CB-CB 4.37Å; I523-L545 PolarHBondContact N-O 3.14Å; I523-L545 PolarHBondContact O-N 3.07Å; I525-L545 HydrophobicContact CD1-CB 4.25Å; I525-L545 HydrophobicContact CD1-CD2 3.98Å; I543-L545 HydrophobicContact CG2-CB 4.41Å |
| 546 | N | 87.9 | Confident | 85.6 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 118.4 | 173.3 | -60.9 | -9.6 | 0 | 0 | 0 | 108.2 | L452 S453 I454 | L452-N546 PolarHBondContact O-N 3.11Å; S453-N546 WeakPolarHBondContact CA-O 3.3Å; I454-N546 PolarHBondContact N-O 2.9Å; I454-N546 VanDerWaalsContact N-O 3.09Å |
| 547 | I | 87.1 | Confident | 85.5 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.9 | 169.9 | -55.4 | 174.2 | 0 | 0 | 0 | 107.5 | I454 E456 L513 R515 V518 G521 I523 | I454-I547 CarbonylContact O-C 3.5Å; I454-I547 WeakPolarHBondContact O-CA 3.42Å; E456-I547 HydrophobicContact CB-CG2 3.86Å; L513-I547 HydrophobicContact CB-CD1 4.36Å; L513-I547 HydrophobicContact CD1-CD1 4.26Å; L513-I547 HydrophobicContact CD1-CG1 4.24Å; R515-I547 HydrophobicContact CB-CB 4.49Å; R515-I547 HydrophobicContact CB-CG2 3.73Å; R515-I547 HydrophobicContact CG-CB 4.16Å; R515-I547 HydrophobicContact CG-CG2 3.84Å; V518-I547 HydrophobicContact CB-CD1 4.08Å; V518-I547 HydrophobicContact CG1-CD1 4.23Å; V518-I547 HydrophobicContact CG2-CD1 3.74Å; G521-I547 PolarHBondContact O-N 2.88Å; I523-I547 HydrophobicContact CD1-CD1 3.9Å; I523-I547 HydrophobicContact CG1-CD1 4.22Å |
| 548 | L | 83.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.2 | 175.6 | -56.7 | 179.8 | 0 | 0 | 0 | 109.2 | I454 | I454-L548 PolarHBondContact O-N 3.35Å |
| 549 | D | 80.3 | Confident | 83.9 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 133.9 | 177.8 | -160.4 | 42.4 | 0 | 0 | 0 | 112.4 | E456 R515 T589 | E456-D549 WeakPolarHBondContact OE1-CA 3.31Å; R515-D549 WeakPolarHBondContact CD-OD1 3.28Å; R515-D549 IonicContact CZ-OD1 3.61Å; R515-D549 IonicContact NE-OD1 2.69Å; R515-D549 IonicContact NH1-OD1 2.91Å; R515-D549 PolarHBondContact NH1-OD1 3.42Å; R515-D549 IonicContact NH1-OD2 3.9Å; R515-D549 PolarHBondContact NH1-OD2 2.96Å; D549-T589 WeakPolarHBondContact OD2-CB 3.22Å; D549-T589 PolarHBondContact OD2-N 3.11Å; D549-T589 VanDerWaalsContact OD2-N 3.13Å; D549-T589 PolarHBondContact OD2-OG1 2.86Å |
| 550 | L | 77 | Confident | 82.9 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -115.9 | 146.7 | 163.6 | -66.1 | 177.8 | 0 | 0 | 0 | 110.9 | S455 E456 N457 E552 E640 T641 | S455-L550 WeakPolarHBondContact OG-CD1 3.21Å; S455-L550 WeakPolarHBondContact OG-CG 3.46Å; E456-L550 HydrophobicContact CG-CB 4.41Å; E456-L550 HydrophobicContact CG-CD1 4.2Å; E456-L550 HydrophobicContact CG-CG 4.33Å; E456-L550 PolarHBondContact OE1-N 3.25Å; N457-L550 HydrophobicContact CB-CD1 3.53Å; N457-L550 VanDerWaalsContact CG-CD1 3.47Å; N457-L550 WeakPolarHBondContact ND2-CD1 3.33Å; L550-E552 PolarHBondContact O-N 2.65Å; L550-E552 VanDerWaalsContact O-N 3.13Å; L550-E640 HydrophobicContact CD2-CB 4.18Å; L550-T641 HydrophobicContact CB-CG2 4.44Å; L550-T641 HydrophobicContact CD2-CG2 4.27Å | ||
| 551 | N | 75 | Confident | 82.1 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | trans | -80.7 | 92.9 | 170.3 | 170.5 | -103.2 | 0 | 0 | 0 | 108.8 | Y553 D587 D635 T641 H646 | N551-Y553 PolarHBondContact ND2-O 3.28Å; N551-D587 VanDerWaalsContact CA-OD2 3.29Å; N551-D587 WeakPolarHBondContact CA-OD2 3.38Å; N551-D587 PolarHBondContact ND2-OD2 2.85Å; N551-D635 VanDerWaalsContact ND2-CG 3.35Å; N551-D635 PolarHBondContact ND2-OD2 3.19Å; N551-D635 PolarHBondContact OD1-OD2 2.67Å; N551-T641 HydrophobicContact CB-CG2 4.09Å; N551-H646 PolarHBondContact OD1-CE1 3.35Å; N551-H646 PolarHBondContact OD1-ND1 3.36Å | ||
| 552 | E | 75.6 | Confident | 81.7 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | trans | -123.1 | -23 | -178.3 | 58.2 | -176.3 | -99.5 | 0 | 0 | 113 | L550 D587 | L550-E552 PolarHBondContact O-N 2.65Å; L550-E552 VanDerWaalsContact O-N 3.13Å; E552-D587 PolarHBondContact N-OD1 2.79Å | ||
| 553 | Y | 76.4 | Confident | 81.6 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -79.6 | 154.3 | 156.8 | -57.5 | -77.5 | 0 | 0 | 0 | 109.7 | E516 N551 D585 A586 D587 | E516-Y553 HydrophobicContact CB-CE2 4.5Å; E516-Y553 HydrophobicContact CG-CD2 4.25Å; E516-Y553 HydrophobicContact CG-CE2 3.78Å; N551-Y553 PolarHBondContact ND2-O 3.28Å; Y553-D585 VanDerWaalsContact CB-OD1 3.3Å; Y553-D585 WeakPolarHBondContact CB-OD1 3.4Å; Y553-A586 HydrophobicContact CD1-CB 3.85Å; Y553-A586 HydrophobicContact CD2-CB 3.98Å; Y553-A586 HydrophobicContact CE1-CB 4.48Å; Y553-A586 HydrophobicContact CG-CB 3.57Å; Y553-D587 WeakPolarHBondContact CA-OD1 3.15Å; Y553-D587 VanDerWaalsContact CB-OD1 3.3Å; Y553-D587 WeakPolarHBondContact CB-OD1 3.43Å; Y553-D587 WeakPolarHBondContact CD2-OD1 3.38Å; Y553-D587 PolarHBondContact N-OD1 3Å |
| 554 | R | 77.5 | Confident | 81.5 | Confident | 133 Ų | 133 | 60.1 Ų | 60.1 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | trans | -116 | 146.3 | -178.1 | 50.1 | 171.6 | -65.6 | 170.2 | 12.2 | 107.2 | T556 D585 H646 V647 | R554-T556 PolarHBondContact O-N 3.02Å; R554-D585 PolarHBondContact N-OD1 3.13Å; R554-H646 HydrophobicContact CB-CB 3.68Å; R554-V647 PolarHBondContact NH2-O 2.88Å | ||
| 555 | P | 87.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | trans | -56.4 | 143.8 | 175.9 | -23.1 | 29.4 | 0 | 0 | 0 | 110.9 | D585 A633 D635 A648 | P555-D585 WeakPolarHBondContact CA-OD2 3.15Å; P555-D585 WeakPolarHBondContact CD-OD2 3.29Å; P555-D585 WeakPolarHBondContact CG-OD2 3.33Å; P555-A633 HydrophobicContact CB-CB 4.23Å; P555-D635 HydrophobicContact CG-CB 4.14Å; P555-A648 HydrophobicContact CB-CB 3.95Å; P555-A648 WeakPolarHBondContact O-CB 3.39Å | ||
| 556 | T | 86.3 | Confident | 81.6 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.2 | 178.6 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | R554 A583 S584 | R554-T556 PolarHBondContact O-N 3.02Å; T556-A583 CarbonylContact O-C 3.6Å; T556-A583 VanDerWaalsContact O-CA 3.23Å; T556-A583 WeakPolarHBondContact O-CA 3.38Å; T556-S584 PolarHBondContact N-O 2.73Å; T556-S584 PolarHBondContact O-N 2.89Å; T556-S584 PolarHBondContact O-OG 3.19Å; T556-S584 PolarHBondContact OG1-O 3.39Å; T556-S584 PolarHBondContact OG1-OG 2.86Å |
| 557 | F | 88.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.5 | 161.7 | -66.1 | -73.4 | 0 | 0 | 0 | 109.8 | N561 R562 V581 H582 A583 Y594 V631 A633 A648 A650 | F557-N561 HydrophobicContact CB-CB 4.09Å; F557-N561 HydrophobicContact CD1-CB 4.28Å; F557-R562 HydrophobicContact CB-CG 3.94Å; F557-V581 HydrophobicContact CE1-CB 3.96Å; F557-V581 HydrophobicContact CE1-CG2 4.09Å; F557-H582 WeakPolarHBondContact CD1-O 3.25Å; F557-A583 HydrophobicContact CD1-CB 3.85Å; F557-A583 HydrophobicContact CE1-CB 3.77Å; F557-A583 HydrophobicContact CG-CB 4.33Å; F557-A583 HydrophobicContact CZ-CB 4.21Å; F557-Y594 HydrophobicContact CE1-CE1 4.11Å; F557-Y594 HydrophobicContact CZ-CE1 4.35Å; F557-V631 HydrophobicContact CZ-CG1 4.27Å; F557-A633 HydrophobicContact CE1-CB 4.39Å; F557-A633 HydrophobicContact CE2-CB 4.01Å; F557-A633 HydrophobicContact CZ-CB 3.66Å; F557-A648 HydrophobicContact CD2-CB 3.6Å; F557-A648 HydrophobicContact CE2-CB 3.59Å; F557-A650 HydrophobicContact CD1-CB 4.18Å; F557-A650 HydrophobicContact CD2-CB 3.6Å; F557-A650 HydrophobicContact CE1-CB 4.27Å; F557-A650 HydrophobicContact CE2-CB 3.7Å; F557-A650 HydrophobicContact CG-CB 3.86Å; F557-A650 HydrophobicContact CZ-CB 4.04Å |
| 558 | T | 79.7 | Confident | 82 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | trans | -57.2 | 161 | 171.5 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | E560 N561 R562 | T558-E560 PolarHBondContact O-N 2.8Å; T558-N561 PolarHBondContact O-N 3.36Å; T558-N561 VanDerWaalsContact O-N 3.11Å; T558-N561 WeakPolarHBondContact OG1-CB 3.42Å; T558-N561 VanDerWaalsContact OG1-CG 3.28Å; T558-N561 PolarHBondContact OG1-N 3.31Å; T558-R562 WeakPolarHBondContact O-CG 3.31Å; T558-R562 PolarHBondContact O-N 3.25Å | ||
| 559 | Q | 70.7 | Confident | 82.4 | Confident | 181 Ų | 181 | 70.1 Ų | 70.1 | 85% | 0.846 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.5 | -179.8 | -70.3 | -170.2 | -5.6 | 0 | 0 | 112.7 | ||
| 560 | E | 71.9 | Confident | 83 | Confident | 170 Ų | 170 | 68.4 Ų | 68.4 | 79% | 0.794 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -40.5 | 175.9 | -61.1 | 178.8 | 173 | 0 | 0 | 111.5 | T558 R562 | T558-E560 PolarHBondContact O-N 2.8Å; E560-R562 VanDerWaalsContact C-N 3.27Å; E560-R562 PolarHBondContact O-N 2.66Å |
| 561 | N | 73.5 | Confident | 83.6 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.5 | 178.4 | -71 | -2.5 | 0 | 0 | 0 | 114.1 | F557 T558 I564 H582 A650 | F557-N561 HydrophobicContact CB-CB 4.09Å; F557-N561 HydrophobicContact CD1-CB 4.28Å; T558-N561 PolarHBondContact O-N 3.36Å; T558-N561 VanDerWaalsContact O-N 3.11Å; T558-N561 WeakPolarHBondContact OG1-CB 3.42Å; T558-N561 VanDerWaalsContact OG1-CG 3.28Å; T558-N561 PolarHBondContact OG1-N 3.31Å; N561-I564 HydrophobicContact CB-CD1 4.44Å; N561-I564 WeakPolarHBondContact O-CD1 3.25Å; N561-I564 WeakPolarHBondContact O-CG1 3.16Å; N561-H582 PolarHBondContact ND2-O 3Å; N561-A650 WeakPolarHBondContact O-CB 3.44Å |
| 562 | R | 79.9 | Confident | 84.3 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -27.5 | -179.2 | -89.1 | 179.4 | 141.1 | 139.5 | -2.9 | 114.6 | F557 T558 E560 N651 | F557-R562 HydrophobicContact CB-CG 3.94Å; T558-R562 WeakPolarHBondContact O-CG 3.31Å; T558-R562 PolarHBondContact O-N 3.25Å; E560-R562 VanDerWaalsContact C-N 3.27Å; E560-R562 PolarHBondContact O-N 2.66Å; R562-N651 PolarHBondContact O-N 3.3Å |
| 563 | V | 86.7 | Confident | 85 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 89.3 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | N651 | V563-N651 CarbonylContact C-O 3.53Å; V563-N651 WeakPolarHBondContact CA-O 3.36Å |
| 564 | I | 87.9 | Confident | 85.7 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.8 | -173.3 | -51.6 | 175.6 | 0 | 0 | 0 | 109.2 | N561 L579 V581 N651 V652 T653 | N561-I564 HydrophobicContact CB-CD1 4.44Å; N561-I564 WeakPolarHBondContact O-CD1 3.25Å; N561-I564 WeakPolarHBondContact O-CG1 3.16Å; I564-L579 HydrophobicContact CD1-CD1 4.24Å; I564-L579 HydrophobicContact CG2-CD2 3.83Å; I564-V581 HydrophobicContact CD1-CG1 4.04Å; I564-N651 PolarHBondContact N-O 3.4Å; I564-V652 HydrophobicContact CB-CG2 4.43Å; I564-V652 HydrophobicContact CD1-CG2 4.48Å; I564-T653 PolarHBondContact O-N 3.43Å |
| 565 | N | 90.3 | Very high | 86.4 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.9 | 169.4 | -60.4 | -58.4 | 0 | 0 | 0 | 108.7 | T653 | N565-T653 CarbonylContact C-O 3.59Å; N565-T653 WeakPolarHBondContact CA-O 3.37Å |
| 566 | H | 90.6 | Very high | 86.7 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.3 | 179.1 | -168.3 | 93.7 | 0 | 0 | 0 | 110.5 | L578 L579 T653 H655 | H566-L578 HydrophobicContact CB-CD1 4.49Å; H566-L578 WeakPolarHBondContact CD2-CD1 3.19Å; H566-L578 PolarHBondContact CE1-O 3.32Å; H566-L578 PolarHBondContact ND1-O 2.74Å; H566-L578 PolarHBondContact NE2-O 2.79Å; H566-L579 HydrophobicContact CB-CD2 4.07Å; H566-T653 PolarHBondContact N-O 2.59Å; H566-H655 PolarHBondContact O-N 3.24Å |
| 567 | I | 92.5 | Very high | 87 | Confident | 120 Ų | 120 | 74.9 Ų | 74.9 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.8 | -178.4 | -59 | 178.2 | 0 | 0 | 0 | 108.2 | H655 T657 | I567-H655 HydrophobicContact CG1-CB 4.44Å; I567-T657 HydrophobicContact CG2-CG2 3.26Å |
| 568 | M | 90.7 | Very high | 87.2 | Confident | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.044 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134.4 | -176.4 | 175.9 | 171.4 | 57.9 | 0 | 0 | 109.6 | Q572 L578 F604 T615 L619 V654 H655 L656 T657 | M568-Q572 HydrophobicContact CG-CG 3.8Å; M568-Q572 HydrophobicContact SD-CG 3.86Å; M568-L578 HydrophobicContact CE-CD1 3.69Å; M568-L578 HydrophobicContact SD-CD1 3.99Å; M568-F604 HydrophobicContact CE-CE1 4.27Å; M568-T615 HydrophobicContact CE-CG2 3.89Å; M568-T615 HydrophobicContact SD-CG2 3.99Å; M568-L619 HydrophobicContact CE-CD1 3.58Å; M568-V654 HydrophobicContact CE-CG1 3.96Å; M568-H655 PolarHBondContact N-O 3.43Å; M568-L656 HydrophobicContact CE-CD2 4.1Å; M568-L656 CarbonylContact O-C 3.45Å; M568-L656 VanDerWaalsContact O-CA 3.26Å; M568-L656 WeakPolarHBondContact O-CA 3.46Å; M568-T657 PolarHBondContact O-N 2.63Å |
| 569 | P | 91.6 | Very high | 87.8 | Confident | 54 Ų | 54 | 73 Ų | 73 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 142.9 | 172.7 | -12.8 | 26.7 | 0 | 0 | 0 | 110.4 | Q572 T657 | P569-Q572 VanDerWaalsContact O-CG 3.31Å; P569-Q572 WeakPolarHBondContact O-CG 3.35Å; P569-Q572 PolarHBondContact O-NE2 2.8Å; P569-T657 WeakPolarHBondContact CA-O 3.34Å; P569-T657 WeakPolarHBondContact CA-OG1 3.45Å; P569-T657 WeakPolarHBondContact CB-OG1 3.46Å |
| 570 | E | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -62.7 | 176.6 | 174.3 | 73.1 | -164.8 | 120.7 | 0 | 0 | 112.8 | Q572 L619 R621 L656 T657 D658 K659 | E570-Q572 PolarHBondContact O-N 2.82Å; E570-L619 WeakPolarHBondContact CB-O 3.5Å; E570-R621 HydrophobicContact CB-CB 4.38Å; E570-R621 WeakPolarHBondContact OE2-CB 3.35Å; E570-R621 PolarHBondContact OE2-N 3.37Å; E570-L656 HydrophobicContact CB-CD1 4.49Å; E570-T657 PolarHBondContact N-O 3.37Å; E570-T657 VanDerWaalsContact N-O 3.16Å; E570-D658 WeakPolarHBondContact OE1-CA 3.45Å; E570-K659 HydrophobicContact CG-CB 4.22Å; E570-K659 HydrophobicContact CG-CD 4.06Å; E570-K659 HydrophobicContact CG-CG 4.2Å; E570-K659 WeakPolarHBondContact O-CE 3.18Å; E570-K659 PolarHBondContact O-NZ 3.14Å; E570-K659 PolarHBondContact OE1-N 2.83Å |
| 571 | N | 90 | Very high | 89.7 | Confident | 60 Ų | 60 | 62 Ų | 62 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 50.6 | 42.1 | -179.5 | -80.4 | -63.5 | 0 | 0 | 0 | 112.4 | L619 K659 D661 | N571-L619 PolarHBondContact N-O 3.23Å; N571-K659 HydrophobicContact CB-CD 4.38Å; N571-K659 PolarHBondContact O-NZ 2.6Å; N571-D661 PolarHBondContact ND2-OD2 3.49Å |
| 572 | Q | 88.6 | Confident | 90.5 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -75 | 150.6 | 162.9 | -63.9 | -46.8 | -48.9 | 0 | 0 | 110 | M568 P569 E570 T576 L618 | M568-Q572 HydrophobicContact CG-CG 3.8Å; M568-Q572 HydrophobicContact SD-CG 3.86Å; P569-Q572 VanDerWaalsContact O-CG 3.31Å; P569-Q572 WeakPolarHBondContact O-CG 3.35Å; P569-Q572 PolarHBondContact O-NE2 2.8Å; E570-Q572 PolarHBondContact O-N 2.82Å; Q572-T576 HydrophobicContact CB-CG2 4.2Å; Q572-T576 HydrophobicContact CG-CG2 4.21Å; Q572-L618 WeakPolarHBondContact O-CD2 3.33Å |
| 573 | P | 91.8 | Very high | 90.9 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -56 | 151.5 | 164.9 | -22.3 | 33.7 | 0 | 0 | 0 | 112 | T576 T615 | P573-T576 WeakPolarHBondContact O-CB 3.43Å; P573-T576 PolarHBondContact O-N 2.73Å; P573-T576 PolarHBondContact O-OG1 2.76Å; P573-T615 PolarHBondContact O-OG1 3.11Å; P573-T615 VanDerWaalsContact O-OG1 3.08Å |
| 574 | I | 91 | Very high | 90.9 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 151.3 | 165 | -60.5 | 172.5 | 0 | 0 | 0 | 109 | T576 L618 | I574-T576 PolarHBondContact O-N 2.54Å; I574-L618 HydrophobicContact CG1-CD2 4.3Å |
| 575 | D | 92.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 58 Ų | 58 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 12.1 | -173.7 | -50.5 | -44.9 | 0 | 0 | 0 | 114.9 | I577 T615 | D575-I577 PolarHBondContact O-N 2.71Å; D575-T615 WeakPolarHBondContact CA-O 3.49Å; D575-T615 PolarHBondContact N-O 3.06Å |
| 576 | T | 93.4 | Very high | 90.5 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | trans | -67.6 | 127.8 | 169.4 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | Q572 P573 I574 L578 T614 T615 | Q572-T576 HydrophobicContact CB-CG2 4.2Å; Q572-T576 HydrophobicContact CG-CG2 4.21Å; P573-T576 WeakPolarHBondContact O-CB 3.43Å; P573-T576 PolarHBondContact O-N 2.73Å; P573-T576 PolarHBondContact O-OG1 2.76Å; I574-T576 PolarHBondContact O-N 2.54Å; T576-L578 PolarHBondContact O-N 3.02Å; T576-T614 CarbonylContact O-C 3.33Å; T576-T614 WeakPolarHBondContact O-CA 3.37Å; T576-T615 WeakPolarHBondContact CA-OG1 3.47Å; T576-T615 WeakPolarHBondContact CB-OG1 3.47Å; T576-T615 PolarHBondContact N-OG1 2.9Å; T576-T615 PolarHBondContact O-N 2.81Å; T576-T615 PolarHBondContact O-OG1 2.79Å; T576-T615 VanDerWaalsContact O-OG1 3.11Å | ||
| 577 | I | 93.1 | Very high | 90.1 | Very high | 106 Ų | 106 | 53.6 Ų | 53.6 | 54% | 0.544 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127 | 178.3 | -57.2 | 170.5 | 0 | 0 | 0 | 109.9 | D575 M612 T614 | D575-I577 PolarHBondContact O-N 2.71Å; I577-M612 HydrophobicContact CD1-SD 3.97Å; I577-M612 HydrophobicContact CG1-SD 4.17Å; I577-M612 HydrophobicContact CG2-CG 4.21Å; I577-M612 HydrophobicContact CG2-SD 4.36Å; I577-T614 HydrophobicContact CG1-CG2 4.06Å |
| 578 | L | 92.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -65.5 | 173.6 | -179.3 | 80.7 | 0 | 0 | 0 | 110 | H566 M568 T576 F604 I613 F629 V654 | H566-L578 HydrophobicContact CB-CD1 4.49Å; H566-L578 WeakPolarHBondContact CD2-CD1 3.19Å; H566-L578 PolarHBondContact CE1-O 3.32Å; H566-L578 PolarHBondContact ND1-O 2.74Å; H566-L578 PolarHBondContact NE2-O 2.79Å; M568-L578 HydrophobicContact CE-CD1 3.69Å; M568-L578 HydrophobicContact SD-CD1 3.99Å; T576-L578 PolarHBondContact O-N 3.02Å; L578-F604 HydrophobicContact CD1-CE1 4.2Å; L578-F604 HydrophobicContact CD2-CD1 4.26Å; L578-F604 HydrophobicContact CD2-CE1 3.91Å; L578-F604 HydrophobicContact CD2-CZ 4.31Å; L578-F604 HydrophobicContact CG-CE1 4.46Å; L578-I613 HydrophobicContact CB-CB 4.39Å; L578-I613 HydrophobicContact CB-CG2 4.26Å; L578-I613 HydrophobicContact CD2-CB 4.36Å; L578-I613 HydrophobicContact CD2-CG2 3.84Å; L578-I613 PolarHBondContact N-O 3.41Å; L578-F629 HydrophobicContact CD2-CZ 4.23Å; L578-V654 HydrophobicContact CD1-CG1 3.97Å; L578-V654 HydrophobicContact CD1-CG2 3.82Å; L578-V654 HydrophobicContact CD2-CG2 3.67Å; L578-V654 HydrophobicContact CG-CG2 4.36Å |
| 579 | L | 91.6 | Very high | 88.3 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 166.4 | -177.8 | 63.9 | 93 | 0 | 0 | 0 | 110.3 | I564 H566 V581 I613 V652 | I564-L579 HydrophobicContact CD1-CD1 4.24Å; I564-L579 HydrophobicContact CG2-CD2 3.83Å; H566-L579 HydrophobicContact CB-CD2 4.07Å; L579-V581 HydrophobicContact CD1-CG1 3.59Å; L579-I613 HydrophobicContact CD1-CD1 3.81Å; L579-I613 HydrophobicContact CD1-CG1 4.38Å; L579-I613 HydrophobicContact CG-CD1 4.25Å; L579-I613 WeakPolarHBondContact O-CB 3.06Å; L579-I613 PolarHBondContact O-N 2.88Å; L579-V652 HydrophobicContact CD2-CG1 4.06Å |
| 580 | Q | 91.3 | Very high | 87.1 | Confident | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | 169.6 | -173 | 175 | 7.3 | 0 | 0 | 108.9 | T610 M612 | Q580-T610 WeakPolarHBondContact CG-O 3.41Å; Q580-T610 PolarHBondContact NE2-O 2.81Å; Q580-M612 HydrophobicContact CG-CB 4.41Å |
| 581 | V | 91 | Very high | 86.3 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | trans | -88.7 | 156.6 | 171.1 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | F557 I564 L579 Y594 I606 G611 I613 V631 | F557-V581 HydrophobicContact CE1-CB 3.96Å; F557-V581 HydrophobicContact CE1-CG2 4.09Å; I564-V581 HydrophobicContact CD1-CG1 4.04Å; L579-V581 HydrophobicContact CD1-CG1 3.59Å; V581-Y594 HydrophobicContact CG2-CD1 3.58Å; V581-Y594 HydrophobicContact CG2-CE1 3.76Å; V581-Y594 HydrophobicContact CG2-CG 4.36Å; V581-I606 HydrophobicContact CG2-CD1 4.36Å; V581-G611 WeakPolarHBondContact CG2-O 3.21Å; V581-G611 PolarHBondContact N-O 3.38Å; V581-I613 HydrophobicContact CG1-CD1 4.24Å; V581-V631 HydrophobicContact CG1-CB 4.5Å; V581-V631 HydrophobicContact CG1-CG1 4.2Å; V581-V631 HydrophobicContact CG1-CG2 4.31Å; V581-V631 HydrophobicContact CG2-CG1 3.81Å | ||
| 582 | H | 90 | Very high | 86.1 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | trans | -141.8 | 124 | 168.9 | 178.1 | 56.9 | 0 | 0 | 0 | 109.6 | F557 N561 | F557-H582 WeakPolarHBondContact CD1-O 3.25Å; N561-H582 PolarHBondContact ND2-O 3Å | ||
| 583 | A | 88.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 146.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | T556 F557 I592 Y594 A633 | T556-A583 CarbonylContact O-C 3.6Å; T556-A583 VanDerWaalsContact O-CA 3.23Å; T556-A583 WeakPolarHBondContact O-CA 3.38Å; F557-A583 HydrophobicContact CD1-CB 3.85Å; F557-A583 HydrophobicContact CE1-CB 3.77Å; F557-A583 HydrophobicContact CG-CB 4.33Å; F557-A583 HydrophobicContact CZ-CB 4.21Å; A583-I592 HydrophobicContact CB-CD1 4.36Å; A583-I592 WeakPolarHBondContact O-CD1 3.48Å; A583-Y594 HydrophobicContact CB-CE1 4.06Å; A583-Y594 PolarHBondContact N-OH 3.34Å; A583-Y594 PolarHBondContact O-OH 3.24Å; A583-A633 HydrophobicContact CB-CB 3.59Å |
| 584 | S | 87 | Confident | 86.1 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.8 | 168.4 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | T556 | T556-S584 PolarHBondContact N-O 2.73Å; T556-S584 PolarHBondContact O-N 2.89Å; T556-S584 PolarHBondContact O-OG 3.19Å; T556-S584 PolarHBondContact OG1-O 3.39Å; T556-S584 PolarHBondContact OG1-OG 2.86Å |
| 585 | D | 86.7 | Confident | 86.2 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | trans | -99.8 | 162.2 | 158.8 | -142 | -36.9 | 0 | 0 | 0 | 109.4 | Y553 R554 P555 P590 I592 | Y553-D585 VanDerWaalsContact CB-OD1 3.3Å; Y553-D585 WeakPolarHBondContact CB-OD1 3.4Å; R554-D585 PolarHBondContact N-OD1 3.13Å; P555-D585 WeakPolarHBondContact CA-OD2 3.15Å; P555-D585 WeakPolarHBondContact CD-OD2 3.29Å; P555-D585 WeakPolarHBondContact CG-OD2 3.33Å; D585-P590 HydrophobicContact CB-CB 3.76Å; D585-I592 HydrophobicContact CB-CD1 4.02Å; D585-I592 HydrophobicContact CB-CG1 4.23Å | ||
| 586 | A | 82.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | trans | -110.7 | -13.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E516 Y553 | E516-A586 WeakPolarHBondContact CG-O 3.01Å; Y553-A586 HydrophobicContact CD1-CB 3.85Å; Y553-A586 HydrophobicContact CD2-CB 3.98Å; Y553-A586 HydrophobicContact CE1-CB 4.48Å; Y553-A586 HydrophobicContact CG-CB 3.57Å | ||
| 587 | D | 81.7 | Confident | 86.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -52 | 146.2 | 165 | -60.5 | -19.7 | 0 | 0 | 0 | 110.4 | N551 E552 Y553 P590 | N551-D587 VanDerWaalsContact CA-OD2 3.29Å; N551-D587 WeakPolarHBondContact CA-OD2 3.38Å; N551-D587 PolarHBondContact ND2-OD2 2.85Å; E552-D587 PolarHBondContact N-OD1 2.79Å; Y553-D587 WeakPolarHBondContact CA-OD1 3.15Å; Y553-D587 VanDerWaalsContact CB-OD1 3.3Å; Y553-D587 WeakPolarHBondContact CB-OD1 3.43Å; Y553-D587 WeakPolarHBondContact CD2-OD1 3.38Å; Y553-D587 PolarHBondContact N-OD1 3Å; D587-P590 WeakPolarHBondContact O-CB 3.03Å; D587-P590 WeakPolarHBondContact O-CD 3.39Å; D587-P590 WeakPolarHBondContact O-CG 3.38Å |
| 588 | S | 74.8 | Confident | 86.1 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -91.2 | 6 | -176.8 | -59.5 | 0 | 0 | 0 | 0 | 114.7 | R515 E516 P590 | R515-S588 PolarHBondContact NH1-O 2.83Å; R515-S588 PolarHBondContact NH2-O 3.37Å; E516-S588 WeakPolarHBondContact OE1-CA 3.43Å; E516-S588 WeakPolarHBondContact OE1-CB 3.37Å; E516-S588 PolarHBondContact OE1-N 3.37Å; E516-S588 PolarHBondContact OE1-OG 2.66Å; S588-P590 VanDerWaalsContact C-CD 3.45Å |
| 589 | T | 70.5 | Confident | 85.9 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 57% | 0.571 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -121.6 | 65.9 | 150.7 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | D549 E591 | D549-T589 WeakPolarHBondContact OD2-CB 3.22Å; D549-T589 PolarHBondContact OD2-N 3.11Å; D549-T589 VanDerWaalsContact OD2-N 3.13Å; D549-T589 PolarHBondContact OD2-OG1 2.86Å; T589-E591 PolarHBondContact O-N 2.99Å |
| 590 | P | 67.3 | Low | 85.9 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | trans | -79.6 | 81.8 | -167.1 | 33.6 | -34.1 | 0 | 0 | 0 | 112.4 | D585 D587 S588 I592 | D585-P590 HydrophobicContact CB-CB 3.76Å; D587-P590 WeakPolarHBondContact O-CB 3.03Å; D587-P590 WeakPolarHBondContact O-CD 3.39Å; D587-P590 WeakPolarHBondContact O-CG 3.38Å; S588-P590 VanDerWaalsContact C-CD 3.45Å; P590-I592 PolarHBondContact O-N 3.49Å | ||
| 591 | E | 76.3 | Confident | 85.8 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | trans | -88.7 | 82.2 | 177.8 | -157.2 | 176.9 | -164.6 | 0 | 0 | 111.9 | T589 K636 | T589-E591 PolarHBondContact O-N 2.99Å; E591-K636 HydrophobicContact CB-CB 4.5Å; E591-K636 HydrophobicContact CB-CG 4.41Å; E591-K636 HydrophobicContact CG-CD 4.27Å; E591-K636 HydrophobicContact CG-CG 4.37Å; E591-K636 PolarHBondContact O-N 2.92Å; E591-K636 VanDerWaalsContact O-N 3.11Å; E591-K636 IonicContact OE1-NZ 3.36Å; E591-K636 PolarHBondContact OE1-NZ 3.38Å; E591-K636 VanDerWaalsContact OE2-CD 3.22Å; E591-K636 WeakPolarHBondContact OE2-CD 3.33Å; E591-K636 VanDerWaalsContact OE2-CE 3.24Å; E591-K636 WeakPolarHBondContact OE2-CE 3.5Å; E591-K636 IonicContact OE2-NZ 3.62Å; E591-K636 PolarHBondContact OE2-NZ 3.11Å | ||
| 592 | I | 85.1 | Confident | 85.8 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.3 | -179.8 | -52 | 172.9 | 0 | 0 | 0 | 111.1 | A583 D585 P590 Y594 A633 T634 | A583-I592 HydrophobicContact CB-CD1 4.36Å; A583-I592 WeakPolarHBondContact O-CD1 3.48Å; D585-I592 HydrophobicContact CB-CD1 4.02Å; D585-I592 HydrophobicContact CB-CG1 4.23Å; P590-I592 PolarHBondContact O-N 3.49Å; I592-Y594 HydrophobicContact CG2-CE1 4.32Å; I592-Y594 HydrophobicContact CG2-CE2 4.17Å; I592-A633 HydrophobicContact CG2-CB 3.67Å; I592-T634 CarbonylContact C-O 3.54Å; I592-T634 WeakPolarHBondContact CA-O 3.46Å |
| 593 | Q | 89.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 52 Ų | 52 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.5 | 167.1 | -52.9 | -153.2 | -82 | 0 | 0 | 111.8 | P608 A633 T634 K636 | Q593-P608 CarbonylContact C-O 3.46Å; Q593-P608 WeakPolarHBondContact CA-O 3.32Å; Q593-A633 WeakPolarHBondContact O-CA 3.39Å; Q593-T634 PolarHBondContact N-O 2.55Å; Q593-T634 PolarHBondContact O-N 3.3Å; Q593-T634 PolarHBondContact O-OG1 3.47Å; Q593-K636 VanDerWaalsContact CD-CE 3.45Å; Q593-K636 HydrophobicContact CG-CG 4.13Å |
| 594 | Y | 92.1 | Very high | 86.3 | Confident | 11 Ų | 11 | 52 Ų | 52 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.9 | -175.8 | -64.1 | -83.6 | 0 | 0 | 0 | 112.7 | F557 V581 A583 I592 P608 Y632 A633 | F557-Y594 HydrophobicContact CE1-CE1 4.11Å; F557-Y594 HydrophobicContact CZ-CE1 4.35Å; V581-Y594 HydrophobicContact CG2-CD1 3.58Å; V581-Y594 HydrophobicContact CG2-CE1 3.76Å; V581-Y594 HydrophobicContact CG2-CG 4.36Å; A583-Y594 HydrophobicContact CB-CE1 4.06Å; A583-Y594 PolarHBondContact N-OH 3.34Å; A583-Y594 PolarHBondContact O-OH 3.24Å; I592-Y594 HydrophobicContact CG2-CE1 4.32Å; I592-Y594 HydrophobicContact CG2-CE2 4.17Å; Y594-P608 WeakPolarHBondContact CD2-O 3.41Å; Y594-P608 PolarHBondContact N-O 2.83Å; Y594-P608 WeakPolarHBondContact O-CA 3.46Å; Y594-Y632 WeakPolarHBondContact CA-O 3.17Å; Y594-A633 HydrophobicContact CD1-CB 3.99Å; Y594-A633 HydrophobicContact CE1-CB 3.84Å |
| 595 | H | 92.2 | Very high | 86.6 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.9 | -179.3 | -58.8 | -27.8 | 0 | 0 | 0 | 111.5 | V631 Y632 | H595-V631 WeakPolarHBondContact O-CA 3.19Å; H595-Y632 PolarHBondContact N-O 2.85Å; H595-Y632 PolarHBondContact O-N 3.47Å |
| 596 | I | 94.4 | Very high | 87 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.3 | 172.5 | 51.2 | 173.8 | 0 | 0 | 0 | 111.4 | A600 Q601 F604 I606 F629 L630 V631 | I596-A600 HydrophobicContact CB-CB 4.25Å; I596-A600 HydrophobicContact CD1-CB 4.07Å; I596-Q601 HydrophobicContact CD1-CG 4.13Å; I596-Q601 HydrophobicContact CG1-CG 3.94Å; I596-Q601 PolarHBondContact O-NE2 2.86Å; I596-F604 HydrophobicContact CD1-CB 4.11Å; I596-F604 WeakPolarHBondContact CD1-O 3.3Å; I596-I606 HydrophobicContact CB-CG2 4.33Å; I596-I606 HydrophobicContact CG1-CB 4.48Å; I596-I606 HydrophobicContact CG1-CG2 3.92Å; I596-I606 HydrophobicContact CG2-CB 3.95Å; I596-I606 HydrophobicContact CG2-CD1 4.04Å; I596-I606 HydrophobicContact CG2-CG2 3.94Å; I596-F629 HydrophobicContact CB-CD2 4.48Å; I596-F629 HydrophobicContact CG2-CD2 4.05Å; I596-F629 HydrophobicContact CG2-CE2 3.82Å; I596-L630 WeakPolarHBondContact CA-O 3.21Å; I596-V631 HydrophobicContact CG2-CG2 4.12Å |
| 597 | S | 93 | Very high | 87.5 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | trans | -58.6 | 151.8 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | E599 A600 L630 | S597-E599 VanDerWaalsContact C-N 3.27Å; S597-E599 WeakPolarHBondContact CB-OE1 3.23Å; S597-E599 WeakPolarHBondContact CB-OE2 3.33Å; S597-E599 PolarHBondContact O-N 2.8Å; S597-E599 PolarHBondContact OG-OE1 3.35Å; S597-E599 PolarHBondContact OG-OE2 3.47Å; S597-A600 WeakPolarHBondContact O-CB 3.45Å; S597-A600 PolarHBondContact O-N 2.95Å; S597-L630 PolarHBondContact N-O 3.17Å; S597-L630 PolarHBondContact OG-N 3.37Å; S597-L630 PolarHBondContact OG-O 2.91Å | ||
| 598 | S | 90.1 | Very high | 88 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -63.7 | -31.1 | -165.2 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | A600 Q601 | S598-A600 PolarHBondContact O-N 3.08Å; S598-Q601 PolarHBondContact O-N 2.81Å |
| 599 | E | 88 | Confident | 88.7 | Confident | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -66 | -18.2 | 174.3 | 69.2 | -78.7 | -179 | 0 | 0 | 114.2 | S597 Y603 | S597-E599 VanDerWaalsContact C-N 3.27Å; S597-E599 WeakPolarHBondContact CB-OE1 3.23Å; S597-E599 WeakPolarHBondContact CB-OE2 3.33Å; S597-E599 PolarHBondContact O-N 2.8Å; S597-E599 PolarHBondContact OG-OE1 3.35Å; S597-E599 PolarHBondContact OG-OE2 3.47Å; E599-Y603 WeakPolarHBondContact O-CD2 3.3Å; E599-Y603 WeakPolarHBondContact O-CE2 3.5Å |
| 600 | A | 90.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -90.3 | -21.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I596 S597 S598 S602 Y603 F604 F629 | I596-A600 HydrophobicContact CB-CB 4.25Å; I596-A600 HydrophobicContact CD1-CB 4.07Å; S597-A600 WeakPolarHBondContact O-CB 3.45Å; S597-A600 PolarHBondContact O-N 2.95Å; S598-A600 PolarHBondContact O-N 3.08Å; A600-S602 PolarHBondContact O-N 2.9Å; A600-Y603 PolarHBondContact O-N 2.97Å; A600-F604 HydrophobicContact CB-CD2 4.43Å; A600-F604 PolarHBondContact O-N 2.85Å; A600-F629 HydrophobicContact CB-CB 3.6Å; A600-F629 HydrophobicContact CB-CD1 4.22Å; A600-F629 HydrophobicContact CB-CD2 3.93Å; A600-F629 HydrophobicContact CB-CG 3.69Å |
| 601 | Q | 89.6 | Confident | 90.8 | Very high | 94 Ų | 94 | 53.4 Ų | 53.4 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.5 | -168 | -66.7 | 176.4 | 11.9 | 0 | 0 | 114.4 | I596 S598 R616 | I596-Q601 HydrophobicContact CD1-CG 4.13Å; I596-Q601 HydrophobicContact CG1-CG 3.94Å; I596-Q601 PolarHBondContact O-NE2 2.86Å; S598-Q601 PolarHBondContact O-N 2.81Å; Q601-R616 VanDerWaalsContact O-CD 3.25Å; Q601-R616 WeakPolarHBondContact O-CD 3.43Å; Q601-R616 PolarHBondContact O-NH1 2.98Å |
| 602 | S | 91.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 51 Ų | 51 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -26.4 | 169.7 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | A600 | A600-S602 PolarHBondContact O-N 2.9Š|
| 603 | Y | 93 | Very high | 92.1 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -30.7 | -172.5 | -56.8 | -65.8 | 0 | 0 | 0 | 112.7 | E599 A600 R616 L619 M624 I627 | E599-Y603 WeakPolarHBondContact O-CD2 3.3Å; E599-Y603 WeakPolarHBondContact O-CE2 3.5Å; A600-Y603 PolarHBondContact O-N 2.97Å; Y603-R616 PolarHBondContact O-N 3.29Å; Y603-L619 HydrophobicContact CD1-CD2 3.75Å; Y603-L619 HydrophobicContact CG-CD2 4.25Å; Y603-M624 HydrophobicContact CD1-CE 3.77Å; Y603-M624 HydrophobicContact CD2-CE 4Å; Y603-M624 HydrophobicContact CE1-CE 3.42Å; Y603-M624 VanDerWaalsContact CE1-CE 3.42Å; Y603-M624 HydrophobicContact CE2-CE 3.67Å; Y603-M624 HydrophobicContact CE2-SD 4.37Å; Y603-M624 HydrophobicContact CG-CE 4.04Å; Y603-I627 HydrophobicContact CD2-CG2 4.48Å |
| 604 | F | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159 | -176.4 | -59.9 | -71.9 | 0 | 0 | 0 | 111.8 | M568 L578 I596 A600 I613 T614 T615 L619 I627 F629 V654 | M568-F604 HydrophobicContact CE-CE1 4.27Å; L578-F604 HydrophobicContact CD1-CE1 4.2Å; L578-F604 HydrophobicContact CD2-CD1 4.26Å; L578-F604 HydrophobicContact CD2-CE1 3.91Å; L578-F604 HydrophobicContact CD2-CZ 4.31Å; L578-F604 HydrophobicContact CG-CE1 4.46Å; I596-F604 HydrophobicContact CD1-CB 4.11Å; I596-F604 WeakPolarHBondContact CD1-O 3.3Å; A600-F604 HydrophobicContact CB-CD2 4.43Å; A600-F604 PolarHBondContact O-N 2.85Å; F604-I613 HydrophobicContact CB-CG2 4.02Å; F604-I613 HydrophobicContact CD1-CG2 4.12Å; F604-I613 HydrophobicContact CG-CG2 4.23Å; F604-T614 CarbonylContact C-O 3.24Å; F604-T614 WeakPolarHBondContact CA-O 3.47Å; F604-T615 HydrophobicContact CD1-CG2 4.32Å; F604-T615 HydrophobicContact CE1-CG2 4.02Å; F604-L619 HydrophobicContact CE1-CD1 3.91Å; F604-L619 HydrophobicContact CZ-CD1 3.83Å; F604-I627 HydrophobicContact CE2-CB 4.25Å; F604-I627 HydrophobicContact CE2-CD1 3.86Å; F604-I627 HydrophobicContact CE2-CG2 4.02Å; F604-I627 HydrophobicContact CZ-CD1 3.91Å; F604-F629 HydrophobicContact CD2-CD1 4.12Å; F604-F629 AromaticContact CD2-CE1 3.59Å; F604-F629 HydrophobicContact CD2-CE1 3.59Å; F604-F629 HydrophobicContact CD2-CZ 4.01Å; F604-F629 HydrophobicContact CE2-CD1 4.06Å; F604-F629 AromaticContact CE2-CE1 3.5Å; F604-F629 HydrophobicContact CE2-CE1 3.5Å; F604-F629 HydrophobicContact CE2-CZ 4.27Å; F604-F629 HydrophobicContact CG-CE1 4.41Å; F604-F629 HydrophobicContact CG-CZ 4.43Å; F604-F629 HydrophobicContact CZ-CE1 4.26Å; F604-V654 HydrophobicContact CE2-CG2 4.31Å; F604-V654 HydrophobicContact CZ-CB 4.34Å; F604-V654 HydrophobicContact CZ-CG1 4.38Å; F604-V654 HydrophobicContact CZ-CG2 3.85Å |
| 605 | H | 94.3 | Very high | 92.5 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149 | 164.3 | 172.1 | 49.7 | 0 | 0 | 0 | 108.1 | I613 T614 | H605-I613 CarbonylContact O-C 3.58Å; H605-I613 WeakPolarHBondContact O-CA 3.4Å; H605-T614 PolarHBondContact N-O 2.88Å; H605-T614 PolarHBondContact O-N 3.09Å |
| 606 | I | 95.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.2 | 170.4 | -166.6 | 166.4 | 0 | 0 | 0 | 108.8 | V581 I596 M612 I613 V631 | V581-I606 HydrophobicContact CG2-CD1 4.36Å; I596-I606 HydrophobicContact CB-CG2 4.33Å; I596-I606 HydrophobicContact CG1-CB 4.48Å; I596-I606 HydrophobicContact CG1-CG2 3.92Å; I596-I606 HydrophobicContact CG2-CB 3.95Å; I596-I606 HydrophobicContact CG2-CD1 4.04Å; I596-I606 HydrophobicContact CG2-CG2 3.94Å; I606-M612 WeakPolarHBondContact CA-O 3.5Å; I606-I613 HydrophobicContact CB-CG1 4.38Å; I606-I613 HydrophobicContact CD1-CD1 4.23Å; I606-I613 HydrophobicContact CD1-CG1 3.85Å; I606-I613 HydrophobicContact CG1-CG1 3.91Å; I606-V631 HydrophobicContact CD1-CG1 3.65Å |
| 607 | D | 93.1 | Very high | 92.4 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | trans | -72.8 | 124.6 | 168.8 | 179.3 | -82.1 | 0 | 0 | 0 | 109.2 | D609 T610 G611 M612 | D607-D609 VanDerWaalsContact C-N 3.33Å; D607-D609 PolarHBondContact O-N 2.85Å; D607-D609 PolarHBondContact OD1-N 3.43Å; D607-T610 WeakPolarHBondContact CB-OG1 3.48Å; D607-T610 VanDerWaalsContact OD1-CB 3.31Å; D607-T610 WeakPolarHBondContact OD1-CB 3.31Å; D607-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D607-T610 PolarHBondContact OD1-N 3.46Å; D607-T610 PolarHBondContact OD1-OG1 2.79Å; D607-G611 WeakPolarHBondContact O-CA 3.47Å; D607-G611 PolarHBondContact O-N 2.98Å; D607-M612 HydrophobicContact CB-CB 4.26Å; D607-M612 PolarHBondContact N-O 2.83Å | ||
| 608 | P | 92.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.8 | -166.2 | 30.6 | -36.5 | 0 | 0 | 0 | 114 | Q593 Y594 | Q593-P608 CarbonylContact C-O 3.46Å; Q593-P608 WeakPolarHBondContact CA-O 3.32Å; Y594-P608 WeakPolarHBondContact CD2-O 3.41Å; Y594-P608 PolarHBondContact N-O 2.83Å; Y594-P608 WeakPolarHBondContact O-CA 3.46Å |
| 609 | D | 89.5 | Confident | 92.3 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -31.1 | -174.3 | -54.1 | -37.8 | 0 | 0 | 0 | 111.1 | D607 | D607-D609 VanDerWaalsContact C-N 3.33Å; D607-D609 PolarHBondContact O-N 2.85Å; D607-D609 PolarHBondContact OD1-N 3.43Å |
| 610 | T | 90.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -14.7 | -179.7 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | Q580 D607 M612 | Q580-T610 WeakPolarHBondContact CG-O 3.41Å; Q580-T610 PolarHBondContact NE2-O 2.81Å; D607-T610 WeakPolarHBondContact CB-OG1 3.48Å; D607-T610 VanDerWaalsContact OD1-CB 3.31Å; D607-T610 WeakPolarHBondContact OD1-CB 3.31Å; D607-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D607-T610 PolarHBondContact OD1-N 3.46Å; D607-T610 PolarHBondContact OD1-OG1 2.79Å; T610-M612 VanDerWaalsContact C-N 3.26Å; T610-M612 PolarHBondContact O-N 2.85Å |
| 611 | G | 90.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | 70.4 | 17 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V581 D607 | V581-G611 WeakPolarHBondContact CG2-O 3.21Å; V581-G611 PolarHBondContact N-O 3.38Å; D607-G611 WeakPolarHBondContact O-CA 3.47Å; D607-G611 PolarHBondContact O-N 2.98Å | ||
| 612 | M | 94.2 | Very high | 92.9 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.6 | 179.9 | -168.3 | -178.2 | -56.4 | 0 | 0 | 111.4 | I577 Q580 I606 D607 T610 | I577-M612 HydrophobicContact CD1-SD 3.97Å; I577-M612 HydrophobicContact CG1-SD 4.17Å; I577-M612 HydrophobicContact CG2-CG 4.21Å; I577-M612 HydrophobicContact CG2-SD 4.36Å; Q580-M612 HydrophobicContact CG-CB 4.41Å; I606-M612 WeakPolarHBondContact CA-O 3.5Å; D607-M612 HydrophobicContact CB-CB 4.26Å; D607-M612 PolarHBondContact N-O 2.83Å; T610-M612 VanDerWaalsContact C-N 3.26Å; T610-M612 PolarHBondContact O-N 2.85Å |
| 613 | I | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129 | -179.3 | -51.7 | -179.3 | 0 | 0 | 0 | 110.1 | L578 L579 V581 F604 H605 I606 F629 V631 | L578-I613 HydrophobicContact CB-CB 4.39Å; L578-I613 HydrophobicContact CB-CG2 4.26Å; L578-I613 HydrophobicContact CD2-CB 4.36Å; L578-I613 HydrophobicContact CD2-CG2 3.84Å; L578-I613 PolarHBondContact N-O 3.41Å; L579-I613 HydrophobicContact CD1-CD1 3.81Å; L579-I613 HydrophobicContact CD1-CG1 4.38Å; L579-I613 HydrophobicContact CG-CD1 4.25Å; L579-I613 WeakPolarHBondContact O-CB 3.06Å; L579-I613 PolarHBondContact O-N 2.88Å; V581-I613 HydrophobicContact CG1-CD1 4.24Å; F604-I613 HydrophobicContact CB-CG2 4.02Å; F604-I613 HydrophobicContact CD1-CG2 4.12Å; F604-I613 HydrophobicContact CG-CG2 4.23Å; H605-I613 CarbonylContact O-C 3.58Å; H605-I613 WeakPolarHBondContact O-CA 3.4Å; I606-I613 HydrophobicContact CB-CG1 4.38Å; I606-I613 HydrophobicContact CD1-CD1 4.23Å; I606-I613 HydrophobicContact CD1-CG1 3.85Å; I606-I613 HydrophobicContact CG1-CG1 3.91Å; I613-F629 HydrophobicContact CD1-CE2 4.05Å; I613-F629 HydrophobicContact CD1-CZ 4.18Å; I613-F629 HydrophobicContact CG2-CZ 4.37Å; I613-V631 HydrophobicContact CD1-CG2 3.75Å |
| 614 | T | 95.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.5 | 179.4 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | T576 I577 F604 H605 | T576-T614 CarbonylContact O-C 3.33Å; T576-T614 WeakPolarHBondContact O-CA 3.37Å; I577-T614 HydrophobicContact CG1-CG2 4.06Å; F604-T614 CarbonylContact C-O 3.24Å; F604-T614 WeakPolarHBondContact CA-O 3.47Å; H605-T614 PolarHBondContact N-O 2.88Å; H605-T614 PolarHBondContact O-N 3.09Å |
| 615 | T | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.5 | 173.9 | 47.5 | 0 | 0 | 0 | 0 | 111.2 | M568 P573 D575 T576 F604 L619 | M568-T615 HydrophobicContact CE-CG2 3.89Å; M568-T615 HydrophobicContact SD-CG2 3.99Å; P573-T615 PolarHBondContact O-OG1 3.11Å; P573-T615 VanDerWaalsContact O-OG1 3.08Å; D575-T615 WeakPolarHBondContact CA-O 3.49Å; D575-T615 PolarHBondContact N-O 3.06Å; T576-T615 WeakPolarHBondContact CA-OG1 3.47Å; T576-T615 WeakPolarHBondContact CB-OG1 3.47Å; T576-T615 PolarHBondContact N-OG1 2.9Å; T576-T615 PolarHBondContact O-N 2.81Å; T576-T615 PolarHBondContact O-OG1 2.79Å; T576-T615 VanDerWaalsContact O-OG1 3.11Å; F604-T615 HydrophobicContact CD1-CG2 4.32Å; F604-T615 HydrophobicContact CE1-CG2 4.02Å; T615-L619 HydrophobicContact CG2-CD1 3.94Å |
| 616 | R | 92.7 | Very high | 92.3 | Very high | 141 Ų | 141 | 52 Ų | 52 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | trans | -106.7 | -20.4 | -179.4 | -162.5 | -177.5 | -170.8 | 175.5 | 7.5 | 113.3 | Q601 Y603 | Q601-R616 VanDerWaalsContact O-CD 3.25Å; Q601-R616 WeakPolarHBondContact O-CD 3.43Å; Q601-R616 PolarHBondContact O-NH1 2.98Å; Y603-R616 PolarHBondContact O-N 3.29Å | ||
| 617 | A | 90.7 | Very high | 92.1 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -131.1 | 162.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 618 | L | 91.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 56 Ų | 56 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | trans | -64.4 | 135 | 161.4 | -57.7 | 179.1 | 0 | 0 | 0 | 107.8 | Q572 I574 | Q572-L618 WeakPolarHBondContact O-CD2 3.33Å; I574-L618 HydrophobicContact CG1-CD2 4.3Å | ||
| 619 | L | 91.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -112 | 142.4 | -178.6 | -55.2 | 179.3 | 0 | 0 | 0 | 109.2 | M568 E570 N571 Y603 F604 T615 I627 L656 | M568-L619 HydrophobicContact CE-CD1 3.58Å; E570-L619 WeakPolarHBondContact CB-O 3.5Å; N571-L619 PolarHBondContact N-O 3.23Å; Y603-L619 HydrophobicContact CD1-CD2 3.75Å; Y603-L619 HydrophobicContact CG-CD2 4.25Å; F604-L619 HydrophobicContact CE1-CD1 3.91Å; F604-L619 HydrophobicContact CZ-CD1 3.83Å; T615-L619 HydrophobicContact CG2-CD1 3.94Å; L619-I627 HydrophobicContact CD1-CD1 3.93Å; L619-I627 HydrophobicContact CD2-CD1 4.01Å; L619-I627 HydrophobicContact CG-CD1 4.47Å; L619-L656 HydrophobicContact CB-CD1 3.95Å; L619-L656 HydrophobicContact CB-CD2 4.21Å; L619-L656 HydrophobicContact CD1-CD2 4.39Å | ||
| 620 | D | 92.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | trans | -140.6 | 126.2 | -160.9 | 160.5 | 134.5 | 0 | 0 | 0 | 107.2 | E622 T623 M624 | D620-E622 PolarHBondContact OD2-N 3.31Å; D620-T623 PolarHBondContact O-OG1 2.97Å; D620-T623 VanDerWaalsContact OD2-CB 3.22Å; D620-T623 WeakPolarHBondContact OD2-CB 3.39Å; D620-T623 VanDerWaalsContact OD2-CG2 3.28Å; D620-T623 WeakPolarHBondContact OD2-CG2 3.16Å; D620-T623 PolarHBondContact OD2-N 3.48Å; D620-T623 PolarHBondContact OD2-OG1 2.91Å; D620-M624 PolarHBondContact O-N 2.84Å | ||
| 621 | R | 94.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -29.2 | -167.6 | -173.6 | -140.1 | 61.6 | 111.5 | 4.7 | 111.5 | E570 M624 P625 L656 D658 Q693 | E570-R621 HydrophobicContact CB-CB 4.38Å; E570-R621 WeakPolarHBondContact OE2-CB 3.35Å; E570-R621 PolarHBondContact OE2-N 3.37Å; R621-M624 CarbonylContact O-C 3.55Å; R621-P625 HydrophobicContact CG-CB 3.97Å; R621-P625 WeakPolarHBondContact O-CA 3.36Å; R621-P625 WeakPolarHBondContact O-CB 3.22Å; R621-P625 WeakPolarHBondContact O-CD 3.24Å; R621-L656 HydrophobicContact CB-CB 4.05Å; R621-L656 HydrophobicContact CG-CB 4.05Å; R621-D658 WeakPolarHBondContact CD-OD1 3.24Å; R621-D658 IonicContact CZ-OD1 2.61Å; R621-D658 IonicContact NE-OD1 3.83Å; R621-D658 PolarHBondContact NE-OD1 3.5Å; R621-D658 IonicContact NH1-OD1 3.87Å; R621-D658 IonicContact NH2-OD1 3.58Å; R621-Q693 PolarHBondContact NH2-O 2.97Å |
| 622 | E | 92.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -36.8 | -179.1 | -67.1 | 60.1 | -119 | 0 | 0 | 111.2 | D620 N662 Q693 | D620-E622 PolarHBondContact OD2-N 3.31Å; E622-N662 WeakPolarHBondContact CG-ND2 3.14Å; E622-Q693 HydrophobicContact CB-CB 4.29Å; E622-Q693 HydrophobicContact CG-CB 3.48Å; E622-Q693 VanDerWaalsContact CG-CB 3.48Å |
| 623 | T | 90.2 | Very high | 92.4 | Very high | 116 Ų | 116 | 48.8 Ų | 48.8 | 71% | 0.712 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -36.7 | 173.5 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | D620 | D620-T623 PolarHBondContact O-OG1 2.97Å; D620-T623 VanDerWaalsContact OD2-CB 3.22Å; D620-T623 WeakPolarHBondContact OD2-CB 3.39Å; D620-T623 VanDerWaalsContact OD2-CG2 3.28Å; D620-T623 WeakPolarHBondContact OD2-CG2 3.16Å; D620-T623 PolarHBondContact OD2-N 3.48Å; D620-T623 PolarHBondContact OD2-OG1 2.91Å |
| 624 | M | 88.3 | Confident | 92 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 22% | 0.222 | 25% | 0.246 | C | C | . | . | trans | -151.3 | 82.8 | -178.1 | -168.7 | 169.6 | 45.2 | 0 | 0 | 113.4 | Y603 D620 R621 Q626 I627 L656 | Y603-M624 HydrophobicContact CD1-CE 3.77Å; Y603-M624 HydrophobicContact CD2-CE 4Å; Y603-M624 HydrophobicContact CE1-CE 3.42Å; Y603-M624 VanDerWaalsContact CE1-CE 3.42Å; Y603-M624 HydrophobicContact CE2-CE 3.67Å; Y603-M624 HydrophobicContact CE2-SD 4.37Å; Y603-M624 HydrophobicContact CG-CE 4.04Å; D620-M624 PolarHBondContact O-N 2.84Å; R621-M624 CarbonylContact O-C 3.55Å; M624-Q626 PolarHBondContact O-N 3.02Å; M624-Q626 VanDerWaalsContact O-N 3.11Å; M624-I627 HydrophobicContact CE-CB 4.46Å; M624-I627 HydrophobicContact CE-CD1 3.58Å; M624-I627 HydrophobicContact CE-CG1 3.67Å; M624-I627 HydrophobicContact CE-CG2 4.11Å; M624-I627 HydrophobicContact CG-CG1 4.08Å; M624-I627 HydrophobicContact SD-CB 4.4Å; M624-I627 HydrophobicContact SD-CG1 3.99Å; M624-I627 HydrophobicContact SD-CG2 4.08Å; M624-L656 WeakPolarHBondContact O-CD1 3.45Å | ||
| 625 | P | 91.6 | Very high | 91.4 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -68.6 | -16.7 | -174.4 | 27.5 | -35.2 | 0 | 0 | 0 | 113.9 | R621 L656 | R621-P625 HydrophobicContact CG-CB 3.97Å; R621-P625 WeakPolarHBondContact O-CA 3.36Å; R621-P625 WeakPolarHBondContact O-CB 3.22Å; R621-P625 WeakPolarHBondContact O-CD 3.24Å; P625-L656 PolarHBondContact O-N 2.92Å |
| 626 | Q | 92.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 121.1 | 178.5 | -175.9 | 178.1 | 62 | 0 | 0 | 110.6 | M624 R628 T653 V654 H655 | M624-Q626 PolarHBondContact O-N 3.02Å; M624-Q626 VanDerWaalsContact O-N 3.11Å; Q626-R628 VanDerWaalsContact CD-CZ 3.45Å; Q626-R628 VanDerWaalsContact CD-NH2 3.29Å; Q626-R628 HydrophobicContact CG-CG 4.19Å; Q626-R628 VanDerWaalsContact NE2-NH2 3.11Å; Q626-T653 HydrophobicContact CG-CG2 3.84Å; Q626-V654 CarbonylContact C-O 3.54Å; Q626-V654 VanDerWaalsContact CA-O 3.3Å; Q626-V654 WeakPolarHBondContact CA-O 3.3Å; Q626-H655 PolarHBondContact NE2-CE1 2.88Å; Q626-H655 PolarHBondContact NE2-NE2 3Å |
| 627 | I | 91.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.3 | 175.9 | -36.5 | -176.4 | 0 | 0 | 0 | 108.4 | Y603 F604 L619 M624 T653 V654 | Y603-I627 HydrophobicContact CD2-CG2 4.48Å; F604-I627 HydrophobicContact CE2-CB 4.25Å; F604-I627 HydrophobicContact CE2-CD1 3.86Å; F604-I627 HydrophobicContact CE2-CG2 4.02Å; F604-I627 HydrophobicContact CZ-CD1 3.91Å; L619-I627 HydrophobicContact CD1-CD1 3.93Å; L619-I627 HydrophobicContact CD2-CD1 4.01Å; L619-I627 HydrophobicContact CG-CD1 4.47Å; M624-I627 HydrophobicContact CE-CB 4.46Å; M624-I627 HydrophobicContact CE-CD1 3.58Å; M624-I627 HydrophobicContact CE-CG1 3.67Å; M624-I627 HydrophobicContact CE-CG2 4.11Å; M624-I627 HydrophobicContact CG-CG1 4.08Å; M624-I627 HydrophobicContact SD-CB 4.4Å; M624-I627 HydrophobicContact SD-CG1 3.99Å; M624-I627 HydrophobicContact SD-CG2 4.08Å; I627-T653 CarbonylContact O-C 3.37Å; I627-T653 WeakPolarHBondContact O-CA 3.13Å; I627-V654 HydrophobicContact CB-CB 4.36Å; I627-V654 PolarHBondContact N-O 3.11Å; I627-V654 PolarHBondContact O-N 3.44Å |
| 628 | R | 93.1 | Very high | 86.4 | Confident | 146 Ų | 146 | 52.2 Ų | 52.2 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.6 | 178.6 | -62 | -176 | -179.9 | -96.5 | 14.3 | 109.4 | Q626 V652 T653 | Q626-R628 VanDerWaalsContact CD-CZ 3.45Å; Q626-R628 VanDerWaalsContact CD-NH2 3.29Å; Q626-R628 HydrophobicContact CG-CG 4.19Å; Q626-R628 VanDerWaalsContact NE2-NH2 3.11Å; R628-V652 WeakPolarHBondContact CA-O 3.22Å; R628-T653 HydrophobicContact CG-CG2 4.14Å; R628-T653 PolarHBondContact NH1-OG1 3.17Å |
| 629 | F | 93.9 | Very high | 84.5 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 168.4 | -179.4 | 64.1 | -89.8 | 0 | 0 | 0 | 112 | L578 I596 A600 F604 I613 V631 V652 V654 | L578-F629 HydrophobicContact CD2-CZ 4.23Å; I596-F629 HydrophobicContact CB-CD2 4.48Å; I596-F629 HydrophobicContact CG2-CD2 4.05Å; I596-F629 HydrophobicContact CG2-CE2 3.82Å; A600-F629 HydrophobicContact CB-CB 3.6Å; A600-F629 HydrophobicContact CB-CD1 4.22Å; A600-F629 HydrophobicContact CB-CD2 3.93Å; A600-F629 HydrophobicContact CB-CG 3.69Å; F604-F629 HydrophobicContact CD2-CD1 4.12Å; F604-F629 AromaticContact CD2-CE1 3.59Å; F604-F629 HydrophobicContact CD2-CE1 3.59Å; F604-F629 HydrophobicContact CD2-CZ 4.01Å; F604-F629 HydrophobicContact CE2-CD1 4.06Å; F604-F629 AromaticContact CE2-CE1 3.5Å; F604-F629 HydrophobicContact CE2-CE1 3.5Å; F604-F629 HydrophobicContact CE2-CZ 4.27Å; F604-F629 HydrophobicContact CG-CE1 4.41Å; F604-F629 HydrophobicContact CG-CZ 4.43Å; F604-F629 HydrophobicContact CZ-CE1 4.26Å; I613-F629 HydrophobicContact CD1-CE2 4.05Å; I613-F629 HydrophobicContact CD1-CZ 4.18Å; I613-F629 HydrophobicContact CG2-CZ 4.37Å; F629-V631 HydrophobicContact CD2-CG2 4.15Å; F629-V631 HydrophobicContact CE2-CG2 3.72Å; F629-V652 HydrophobicContact CD1-CB 4.32Å; F629-V652 HydrophobicContact CD1-CG1 4.4Å; F629-V652 HydrophobicContact CD2-CB 4.16Å; F629-V652 HydrophobicContact CE1-CB 3.98Å; F629-V652 HydrophobicContact CE1-CG1 3.65Å; F629-V652 HydrophobicContact CE2-CB 3.8Å; F629-V652 HydrophobicContact CE2-CG1 4.11Å; F629-V652 HydrophobicContact CE2-CG2 4.11Å; F629-V652 HydrophobicContact CG-CB 4.41Å; F629-V652 HydrophobicContact CZ-CB 3.71Å; F629-V652 HydrophobicContact CZ-CG1 3.49Å; F629-V652 VanDerWaalsContact CZ-CG1 3.49Å; F629-V652 HydrophobicContact CZ-CG2 4.3Å; F629-V652 PolarHBondContact N-O 2.8Å; F629-V652 PolarHBondContact O-N 3.44Å; F629-V654 HydrophobicContact CE1-CG2 3.97Å |
| 630 | L | 93.6 | Very high | 82.6 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.8 | 178.9 | -55.8 | -179 | 0 | 0 | 0 | 109.6 | I596 S597 Y632 V649 A650 N651 | I596-L630 WeakPolarHBondContact CA-O 3.21Å; S597-L630 PolarHBondContact N-O 3.17Å; S597-L630 PolarHBondContact OG-N 3.37Å; S597-L630 PolarHBondContact OG-O 2.91Å; L630-Y632 HydrophobicContact CB-CE1 4.47Å; L630-Y632 HydrophobicContact CB-CE2 4.11Å; L630-V649 HydrophobicContact CB-CG1 4.05Å; L630-V649 HydrophobicContact CD1-CG1 4.21Å; L630-V649 HydrophobicContact CD2-CG1 3.94Å; L630-V649 HydrophobicContact CG-CG1 4.29Å; L630-A650 WeakPolarHBondContact CA-O 3.48Å; L630-N651 WeakPolarHBondContact CD2-OD1 3.28Å |
| 631 | V | 93.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.2 | 165.7 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | F557 V581 H595 I596 I606 I613 F629 V649 A650 V652 | F557-V631 HydrophobicContact CZ-CG1 4.27Å; V581-V631 HydrophobicContact CG1-CB 4.5Å; V581-V631 HydrophobicContact CG1-CG1 4.2Å; V581-V631 HydrophobicContact CG1-CG2 4.31Å; V581-V631 HydrophobicContact CG2-CG1 3.81Å; H595-V631 WeakPolarHBondContact O-CA 3.19Å; I596-V631 HydrophobicContact CG2-CG2 4.12Å; I606-V631 HydrophobicContact CD1-CG1 3.65Å; I613-V631 HydrophobicContact CD1-CG2 3.75Å; F629-V631 HydrophobicContact CD2-CG2 4.15Å; F629-V631 HydrophobicContact CE2-CG2 3.72Å; V631-V649 WeakPolarHBondContact O-CA 3.41Å; V631-A650 HydrophobicContact CB-CB 4.42Å; V631-A650 PolarHBondContact N-O 3.05Å; V631-A650 PolarHBondContact O-N 2.91Å; V631-V652 HydrophobicContact CG2-CG2 3.53Å |
| 632 | Y | 91.9 | Very high | 78.3 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138.6 | 174.8 | -54.9 | -82.6 | 0 | 0 | 0 | 109.2 | Y594 H595 L630 V647 A648 V649 | Y594-Y632 WeakPolarHBondContact CA-O 3.17Å; H595-Y632 PolarHBondContact N-O 2.85Å; H595-Y632 PolarHBondContact O-N 3.47Å; L630-Y632 HydrophobicContact CB-CE1 4.47Å; L630-Y632 HydrophobicContact CB-CE2 4.11Å; Y632-V647 HydrophobicContact CD1-CG1 3.71Å; Y632-V647 HydrophobicContact CG-CG1 4.37Å; Y632-A648 VanDerWaalsContact CA-O 3.32Å; Y632-A648 WeakPolarHBondContact CA-O 3.17Å; Y632-V649 HydrophobicContact CD1-CG2 3.92Å; Y632-V649 HydrophobicContact CE1-CG2 4.01Å |
| 633 | A | 90.4 | Very high | 76.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | P555 F557 A583 I592 Q593 Y594 V647 A648 | P555-A633 HydrophobicContact CB-CB 4.23Å; F557-A633 HydrophobicContact CE1-CB 4.39Å; F557-A633 HydrophobicContact CE2-CB 4.01Å; F557-A633 HydrophobicContact CZ-CB 3.66Å; A583-A633 HydrophobicContact CB-CB 3.59Å; I592-A633 HydrophobicContact CG2-CB 3.67Å; Q593-A633 WeakPolarHBondContact O-CA 3.39Å; Y594-A633 HydrophobicContact CD1-CB 3.99Å; Y594-A633 HydrophobicContact CE1-CB 3.84Å; A633-V647 WeakPolarHBondContact O-CA 3.44Å; A633-A648 HydrophobicContact CB-CB 4Å; A633-A648 PolarHBondContact N-O 2.97Å; A633-A648 VanDerWaalsContact N-O 3.09Å; A633-A648 PolarHBondContact O-N 2.88Å |
| 634 | T | 87.1 | Confident | 74.5 | Confident | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.5 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | I592 Q593 H646 V647 | I592-T634 CarbonylContact C-O 3.54Å; I592-T634 WeakPolarHBondContact CA-O 3.46Å; Q593-T634 PolarHBondContact N-O 2.55Å; Q593-T634 PolarHBondContact O-N 3.3Å; Q593-T634 PolarHBondContact O-OG1 3.47Å; T634-H646 WeakPolarHBondContact CA-O 3.18Å; T634-V647 HydrophobicContact CG2-CG1 4.05Å; T634-V647 HydrophobicContact CG2-CG2 4.1Å |
| 635 | D | 83.4 | Confident | 73.2 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 165.1 | 162.4 | 50.4 | 42.6 | 0 | 0 | 0 | 111 | N551 P555 N645 H646 | N551-D635 VanDerWaalsContact ND2-CG 3.35Å; N551-D635 PolarHBondContact ND2-OD2 3.19Å; N551-D635 PolarHBondContact OD1-OD2 2.67Å; P555-D635 HydrophobicContact CG-CB 4.14Å; D635-N645 PolarHBondContact O-ND2 2.88Å; D635-N645 WeakPolarHBondContact OD1-CA 3.45Å; D635-N645 WeakPolarHBondContact OD1-CB 3.1Å; D635-H646 VanDerWaalsContact CG-N 3.33Å; D635-H646 PolarHBondContact N-O 3Å; D635-H646 PolarHBondContact OD1-N 2.85Å; D635-H646 WeakPolarHBondContact OD2-CA 3.44Å; D635-H646 WeakPolarHBondContact OD2-CB 3.26Å; D635-H646 IonicContact OD2-CG 2.91Å; D635-H646 PolarHBondContact OD2-N 3.18Å; D635-H646 IonicContact OD2-ND1 3.5Å |
| 636 | K | 65.6 | Low | 72.2 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | trans | -88 | 144.7 | 165.5 | -71.5 | -154.7 | -155.7 | 152.9 | 0 | 111.1 | E591 Q593 S638 | E591-K636 HydrophobicContact CB-CB 4.5Å; E591-K636 HydrophobicContact CB-CG 4.41Å; E591-K636 HydrophobicContact CG-CD 4.27Å; E591-K636 HydrophobicContact CG-CG 4.37Å; E591-K636 PolarHBondContact O-N 2.92Å; E591-K636 VanDerWaalsContact O-N 3.11Å; E591-K636 IonicContact OE1-NZ 3.36Å; E591-K636 PolarHBondContact OE1-NZ 3.38Å; E591-K636 VanDerWaalsContact OE2-CD 3.22Å; E591-K636 WeakPolarHBondContact OE2-CD 3.33Å; E591-K636 VanDerWaalsContact OE2-CE 3.24Å; E591-K636 WeakPolarHBondContact OE2-CE 3.5Å; E591-K636 IonicContact OE2-NZ 3.62Å; E591-K636 PolarHBondContact OE2-NZ 3.11Å; Q593-K636 VanDerWaalsContact CD-CE 3.45Å; Q593-K636 HydrophobicContact CG-CG 4.13Å; K636-S638 PolarHBondContact O-N 3.04Å; K636-S638 VanDerWaalsContact O-N 3.14Å | ||
| 637 | Y | 56 | Low | 71.8 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 50% | 0.502 | 32% | 0.323 | S | S | . | . | trans | -66 | 110.3 | -176.9 | 179.7 | -117.7 | 0 | 0 | 0 | 112 | N645 | Y637-N645 PolarHBondContact N-ND2 3.33Š| ||
| 638 | S | 51.2 | Low | 71.6 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | trans | -67.7 | 126.8 | 158.7 | 161.6 | 0 | 0 | 0 | 0 | 109 | K636 E640 T641 | K636-S638 PolarHBondContact O-N 3.04Å; K636-S638 VanDerWaalsContact O-N 3.14Å; S638-E640 PolarHBondContact O-N 2.86Å; S638-E640 PolarHBondContact OG-N 2.86Å; S638-T641 PolarHBondContact O-N 3.21Å; S638-T641 PolarHBondContact O-OG1 2.78Å | ||
| 639 | P | 51.1 | Low | 71.5 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 70% | 0.695 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.6 | 176.6 | -24.7 | 35.7 | 0 | 0 | 0 | 115.1 | ||
| 640 | E | 51.6 | Low | 71.3 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -17 | -173.6 | -55.9 | -164.8 | -171.4 | 0 | 0 | 112.8 | L550 S638 L642 | L550-E640 HydrophobicContact CD2-CB 4.18Å; S638-E640 PolarHBondContact O-N 2.86Å; S638-E640 PolarHBondContact OG-N 2.86Å; E640-L642 PolarHBondContact O-N 2.84Å |
| 641 | T | 48.1 | Very low | 71.3 | Confident | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | trans | -80.7 | 117.3 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | L550 N551 S638 Q643 | L550-T641 HydrophobicContact CB-CG2 4.44Å; L550-T641 HydrophobicContact CD2-CG2 4.27Å; N551-T641 HydrophobicContact CB-CG2 4.09Å; S638-T641 PolarHBondContact O-N 3.21Å; S638-T641 PolarHBondContact O-OG1 2.78Å; T641-Q643 WeakPolarHBondContact CB-O 3.39Å; T641-Q643 PolarHBondContact O-N 2.82Å; T641-Q643 PolarHBondContact OG1-O 2.82Å | ||
| 642 | L | 47.8 | Very low | 71.2 | Confident | 184 Ų | 184 | 60.1 Ų | 60.1 | 96% | 0.963 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -69.3 | -6 | 169.2 | -81.6 | 163.5 | 0 | 0 | 0 | 113.2 | E640 | E640-L642 PolarHBondContact O-N 2.84Š|
| 643 | Q | 48.5 | Very low | 71.3 | Confident | 138 Ų | 138 | 57 Ų | 57 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -104 | 112.8 | 170.5 | -62.3 | 177.5 | 23.4 | 0 | 0 | 106.5 | T641 | T641-Q643 WeakPolarHBondContact CB-O 3.39Å; T641-Q643 PolarHBondContact O-N 2.82Å; T641-Q643 PolarHBondContact OG1-O 2.82Å |
| 644 | G | 54 | Low | 71.4 | Confident | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | trans | -71.7 | 164 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 645 | N | 62 | Low | 71.7 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | trans | -30.6 | 124.5 | -164.2 | -54.6 | 62 | 0 | 0 | 0 | 115.8 | D635 Y637 | D635-N645 PolarHBondContact O-ND2 2.88Å; D635-N645 WeakPolarHBondContact OD1-CA 3.45Å; D635-N645 WeakPolarHBondContact OD1-CB 3.1Å; Y637-N645 PolarHBondContact N-ND2 3.33Å | ||
| 646 | H | 70.4 | Confident | 72.1 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.185 | 32% | 0.32 | C | S | . | . | trans | -78.4 | 148.5 | 172.9 | -55.4 | 106.7 | 0 | 0 | 0 | 111.2 | N551 R554 T634 D635 | N551-H646 PolarHBondContact OD1-CE1 3.35Å; N551-H646 PolarHBondContact OD1-ND1 3.36Å; R554-H646 HydrophobicContact CB-CB 3.68Å; T634-H646 WeakPolarHBondContact CA-O 3.18Å; D635-H646 VanDerWaalsContact CG-N 3.33Å; D635-H646 PolarHBondContact N-O 3Å; D635-H646 PolarHBondContact OD1-N 2.85Å; D635-H646 WeakPolarHBondContact OD2-CA 3.44Å; D635-H646 WeakPolarHBondContact OD2-CB 3.26Å; D635-H646 IonicContact OD2-CG 2.91Å; D635-H646 PolarHBondContact OD2-N 3.18Å; D635-H646 IonicContact OD2-ND1 3.5Å | ||
| 647 | V | 83.3 | Confident | 73.4 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.6 | -171.6 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | R554 Y632 A633 T634 | R554-V647 PolarHBondContact NH2-O 2.88Å; Y632-V647 HydrophobicContact CD1-CG1 3.71Å; Y632-V647 HydrophobicContact CG-CG1 4.37Å; A633-V647 WeakPolarHBondContact O-CA 3.44Å; T634-V647 HydrophobicContact CG2-CG1 4.05Å; T634-V647 HydrophobicContact CG2-CG2 4.1Å |
| 648 | A | 87.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P555 F557 Y632 A633 | P555-A648 HydrophobicContact CB-CB 3.95Å; P555-A648 WeakPolarHBondContact O-CB 3.39Å; F557-A648 HydrophobicContact CD2-CB 3.6Å; F557-A648 HydrophobicContact CE2-CB 3.59Å; Y632-A648 VanDerWaalsContact CA-O 3.32Å; Y632-A648 WeakPolarHBondContact CA-O 3.17Å; A633-A648 HydrophobicContact CB-CB 4Å; A633-A648 PolarHBondContact N-O 2.97Å; A633-A648 VanDerWaalsContact N-O 3.09Å; A633-A648 PolarHBondContact O-N 2.88Å |
| 649 | V | 90.6 | Very high | 77 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.5 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | L630 V631 Y632 | L630-V649 HydrophobicContact CB-CG1 4.05Å; L630-V649 HydrophobicContact CD1-CG1 4.21Å; L630-V649 HydrophobicContact CD2-CG1 3.94Å; L630-V649 HydrophobicContact CG-CG1 4.29Å; V631-V649 WeakPolarHBondContact O-CA 3.41Å; Y632-V649 HydrophobicContact CD1-CG2 3.92Å; Y632-V649 HydrophobicContact CE1-CG2 4.01Å |
| 650 | A | 91.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F557 N561 L630 V631 | F557-A650 HydrophobicContact CD1-CB 4.18Å; F557-A650 HydrophobicContact CD2-CB 3.6Å; F557-A650 HydrophobicContact CE1-CB 4.27Å; F557-A650 HydrophobicContact CE2-CB 3.7Å; F557-A650 HydrophobicContact CG-CB 3.86Å; F557-A650 HydrophobicContact CZ-CB 4.04Å; N561-A650 WeakPolarHBondContact O-CB 3.44Å; L630-A650 WeakPolarHBondContact CA-O 3.48Å; V631-A650 HydrophobicContact CB-CB 4.42Å; V631-A650 PolarHBondContact N-O 3.05Å; V631-A650 PolarHBondContact O-N 2.91Å |
| 651 | N | 91.8 | Very high | 80.7 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.6 | 176.1 | -64.4 | -8.5 | 0 | 0 | 0 | 108.9 | R562 V563 I564 L630 | R562-N651 PolarHBondContact O-N 3.3Å; V563-N651 CarbonylContact C-O 3.53Å; V563-N651 WeakPolarHBondContact CA-O 3.36Å; I564-N651 PolarHBondContact N-O 3.4Å; L630-N651 WeakPolarHBondContact CD2-OD1 3.28Å |
| 652 | V | 92.8 | Very high | 82.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.9 | 173 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | I564 L579 R628 F629 V631 V654 | I564-V652 HydrophobicContact CB-CG2 4.43Å; I564-V652 HydrophobicContact CD1-CG2 4.48Å; L579-V652 HydrophobicContact CD2-CG1 4.06Å; R628-V652 WeakPolarHBondContact CA-O 3.22Å; F629-V652 HydrophobicContact CD1-CB 4.32Å; F629-V652 HydrophobicContact CD1-CG1 4.4Å; F629-V652 HydrophobicContact CD2-CB 4.16Å; F629-V652 HydrophobicContact CE1-CB 3.98Å; F629-V652 HydrophobicContact CE1-CG1 3.65Å; F629-V652 HydrophobicContact CE2-CB 3.8Å; F629-V652 HydrophobicContact CE2-CG1 4.11Å; F629-V652 HydrophobicContact CE2-CG2 4.11Å; F629-V652 HydrophobicContact CG-CB 4.41Å; F629-V652 HydrophobicContact CZ-CB 3.71Å; F629-V652 HydrophobicContact CZ-CG1 3.49Å; F629-V652 VanDerWaalsContact CZ-CG1 3.49Å; F629-V652 HydrophobicContact CZ-CG2 4.3Å; F629-V652 PolarHBondContact N-O 2.8Å; F629-V652 PolarHBondContact O-N 3.44Å; V631-V652 HydrophobicContact CG2-CG2 3.53Å; V652-V654 HydrophobicContact CG1-CG2 4.14Å |
| 653 | T | 93.5 | Very high | 84.9 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 110.6 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | I564 N565 H566 Q626 I627 R628 | I564-T653 PolarHBondContact O-N 3.43Å; N565-T653 CarbonylContact C-O 3.59Å; N565-T653 WeakPolarHBondContact CA-O 3.37Å; H566-T653 PolarHBondContact N-O 2.59Å; Q626-T653 HydrophobicContact CG-CG2 3.84Å; I627-T653 CarbonylContact O-C 3.37Å; I627-T653 WeakPolarHBondContact O-CA 3.13Å; R628-T653 HydrophobicContact CG-CG2 4.14Å; R628-T653 PolarHBondContact NH1-OG1 3.17Å |
| 654 | V | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.5 | 176.3 | -177 | 0 | 0 | 0 | 0 | 108.4 | M568 L578 F604 Q626 I627 F629 V652 L656 | M568-V654 HydrophobicContact CE-CG1 3.96Å; L578-V654 HydrophobicContact CD1-CG1 3.97Å; L578-V654 HydrophobicContact CD1-CG2 3.82Å; L578-V654 HydrophobicContact CD2-CG2 3.67Å; L578-V654 HydrophobicContact CG-CG2 4.36Å; F604-V654 HydrophobicContact CE2-CG2 4.31Å; F604-V654 HydrophobicContact CZ-CB 4.34Å; F604-V654 HydrophobicContact CZ-CG1 4.38Å; F604-V654 HydrophobicContact CZ-CG2 3.85Å; Q626-V654 CarbonylContact C-O 3.54Å; Q626-V654 VanDerWaalsContact CA-O 3.3Å; Q626-V654 WeakPolarHBondContact CA-O 3.3Å; I627-V654 HydrophobicContact CB-CB 4.36Å; I627-V654 PolarHBondContact N-O 3.11Å; I627-V654 PolarHBondContact O-N 3.44Å; F629-V654 HydrophobicContact CE1-CG2 3.97Å; V652-V654 HydrophobicContact CG1-CG2 4.14Å; V654-L656 HydrophobicContact CG1-CD2 4.23Å |
| 655 | H | 93.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.8 | 168.5 | -72.6 | -104.5 | 0 | 0 | 0 | 109 | H566 I567 M568 Q626 | H566-H655 PolarHBondContact O-N 3.24Å; I567-H655 HydrophobicContact CG1-CB 4.44Å; M568-H655 PolarHBondContact N-O 3.43Å; Q626-H655 PolarHBondContact NE2-CE1 2.88Å; Q626-H655 PolarHBondContact NE2-NE2 3Å |
| 656 | L | 92.8 | Very high | 90.2 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.8 | 171.6 | -62 | -175.7 | 0 | 0 | 0 | 109.9 | M568 E570 L619 R621 M624 P625 V654 | M568-L656 HydrophobicContact CE-CD2 4.1Å; M568-L656 CarbonylContact O-C 3.45Å; M568-L656 VanDerWaalsContact O-CA 3.26Å; M568-L656 WeakPolarHBondContact O-CA 3.46Å; E570-L656 HydrophobicContact CB-CD1 4.49Å; L619-L656 HydrophobicContact CB-CD1 3.95Å; L619-L656 HydrophobicContact CB-CD2 4.21Å; L619-L656 HydrophobicContact CD1-CD2 4.39Å; R621-L656 HydrophobicContact CB-CB 4.05Å; R621-L656 HydrophobicContact CG-CB 4.05Å; M624-L656 WeakPolarHBondContact O-CD1 3.45Å; P625-L656 PolarHBondContact O-N 2.92Å; V654-L656 HydrophobicContact CG1-CD2 4.23Å |
| 657 | T | 91.9 | Very high | 91.1 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.6 | 170.9 | 74 | 0 | 0 | 0 | 0 | 111.1 | I567 M568 P569 E570 | I567-T657 HydrophobicContact CG2-CG2 3.26Å; M568-T657 PolarHBondContact O-N 2.63Å; P569-T657 WeakPolarHBondContact CA-O 3.34Å; P569-T657 WeakPolarHBondContact CA-OG1 3.45Å; P569-T657 WeakPolarHBondContact CB-OG1 3.46Å; E570-T657 PolarHBondContact N-O 3.37Å; E570-T657 VanDerWaalsContact N-O 3.16Å |
| 658 | D | 91.8 | Very high | 91.1 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 143.2 | -177.2 | -165.2 | 87.5 | 0 | 0 | 0 | 115.5 | E570 R621 D695 N698 | E570-D658 WeakPolarHBondContact OE1-CA 3.45Å; R621-D658 WeakPolarHBondContact CD-OD1 3.24Å; R621-D658 IonicContact CZ-OD1 2.61Å; R621-D658 IonicContact NE-OD1 3.83Å; R621-D658 PolarHBondContact NE-OD1 3.5Å; R621-D658 IonicContact NH1-OD1 3.87Å; R621-D658 IonicContact NH2-OD1 3.58Å; D658-D695 HydrophobicContact CB-CB 3.89Å; D658-D695 VanDerWaalsContact CG-N 3.35Å; D658-D695 WeakPolarHBondContact OD1-CB 3.16Å; D658-D695 PolarHBondContact OD1-N 3.32Å; D658-N698 PolarHBondContact OD2-ND2 3.46Å |
| 659 | K | 90 | Very high | 90.9 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | trans | -132.3 | 138.9 | 164.6 | -71.3 | 174.6 | 174.2 | 171.9 | 0 | 108.6 | E570 N571 D661 | E570-K659 HydrophobicContact CG-CB 4.22Å; E570-K659 HydrophobicContact CG-CD 4.06Å; E570-K659 HydrophobicContact CG-CG 4.2Å; E570-K659 WeakPolarHBondContact O-CE 3.18Å; E570-K659 PolarHBondContact O-NZ 3.14Å; E570-K659 PolarHBondContact OE1-N 2.83Å; N571-K659 HydrophobicContact CB-CD 4.38Å; N571-K659 PolarHBondContact O-NZ 2.6Å; K659-D661 PolarHBondContact O-N 3.44Å | ||
| 660 | N | 91.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -63.4 | 99.2 | 172.9 | -170.1 | -17 | 0 | 0 | 0 | 111.2 | N662 D694 N698 D752 I757 R759 | N660-N662 PolarHBondContact OD1-O 3.13Å; N660-D694 VanDerWaalsContact CA-OD2 3.24Å; N660-D694 WeakPolarHBondContact CA-OD2 3.24Å; N660-D694 PolarHBondContact OD1-OD2 3.11Å; N660-N698 HydrophobicContact CB-CB 4.04Å; N660-N698 PolarHBondContact N-ND2 3.34Å; N660-D752 PolarHBondContact ND2-OD1 3.15Å; N660-D752 PolarHBondContact ND2-OD2 3.28Å; N660-I757 PolarHBondContact ND2-O 2.81Å; N660-R759 WeakPolarHBondContact OD1-CD 3.5Å; N660-R759 WeakPolarHBondContact OD1-CG 3.32Å |
| 661 | D | 90.2 | Very high | 91 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | trans | -143.6 | -12.2 | -170 | 134.5 | -44.4 | 0 | 0 | 0 | 113.4 | N571 K659 D694 R759 | N571-D661 PolarHBondContact ND2-OD2 3.49Å; K659-D661 PolarHBondContact O-N 3.44Å; D661-D694 PolarHBondContact N-OD2 2.75Å; D661-R759 VanDerWaalsContact C-CZ 3.49Å; D661-R759 PolarHBondContact O-NH1 3.41Å; D661-R759 PolarHBondContact O-NH2 2.66Å | ||
| 662 | N | 91.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -97.9 | 172.3 | 160.9 | -62.9 | -89.7 | 0 | 0 | 0 | 111.7 | E622 N660 D692 Q693 D694 R759 | E622-N662 WeakPolarHBondContact CG-ND2 3.14Å; N660-N662 PolarHBondContact OD1-O 3.13Å; N662-D692 VanDerWaalsContact CB-OD1 3.22Å; N662-D692 WeakPolarHBondContact CB-OD1 3.14Å; N662-Q693 HydrophobicContact CB-CB 4.22Å; N662-D694 WeakPolarHBondContact CB-OD1 3.41Å; N662-D694 PolarHBondContact N-OD1 2.74Å; N662-D694 PolarHBondContact N-OD2 3.4Å; N662-D694 PolarHBondContact ND2-OD1 2.75Å; N662-R759 WeakPolarHBondContact O-CD 3.49Å; N662-R759 PolarHBondContact O-NH1 3.21Å |
| 663 | S | 91.7 | Very high | 91 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -138.9 | 146.8 | -174.3 | -73 | 0 | 0 | 0 | 0 | 109.8 | E665 D692 R759 | S663-E665 PolarHBondContact O-N 2.76Å; S663-E665 VanDerWaalsContact O-N 3.16Å; S663-D692 VanDerWaalsContact CA-OD2 3.23Å; S663-D692 WeakPolarHBondContact CA-OD2 3.49Å; S663-D692 PolarHBondContact N-OD1 2.65Å; S663-R759 PolarHBondContact OG-NH1 2.97Å | ||
| 664 | P | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -66.2 | 120 | -170.3 | -25.4 | 35.4 | 0 | 0 | 0 | 112.3 | D692 V701 L750 D752 S761 | P664-D692 HydrophobicContact CB-CB 4.45Å; P664-D692 WeakPolarHBondContact CD-OD2 3.49Å; P664-D692 HydrophobicContact CG-CB 4.3Å; P664-D692 VanDerWaalsContact CG-OD2 3.23Å; P664-D692 WeakPolarHBondContact CG-OD2 3.14Å; P664-V701 HydrophobicContact CB-CB 4.32Å; P664-V701 HydrophobicContact CB-CG1 3.63Å; P664-V701 HydrophobicContact CB-CG2 3.7Å; P664-V701 HydrophobicContact CG-CG1 4.07Å; P664-V701 HydrophobicContact CG-CG2 3.95Å; P664-L750 HydrophobicContact CB-CB 3.72Å; P664-L750 HydrophobicContact CB-CD2 4.45Å; P664-D752 HydrophobicContact CG-CB 4.42Å; P664-S761 VanDerWaalsContact O-CB 3.31Å; P664-S761 WeakPolarHBondContact O-CB 3.37Å; P664-S761 PolarHBondContact O-OG 2.89Å | ||
| 665 | E | 90.9 | Very high | 90.9 | Very high | 125 Ų | 125 | 54.4 Ų | 54.4 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138 | 171 | -177.2 | 169.6 | -167.9 | 0 | 0 | 111.6 | S663 I667 K670 S690 I691 | S663-E665 PolarHBondContact O-N 2.76Å; S663-E665 VanDerWaalsContact O-N 3.16Å; E665-I667 PolarHBondContact O-N 3.49Å; E665-K670 IonicContact OE1-NZ 2.9Å; E665-S690 CarbonylContact O-C 3.55Å; E665-S690 WeakPolarHBondContact O-CA 3.43Å; E665-S690 WeakPolarHBondContact O-CB 2.88Å; E665-I691 PolarHBondContact N-O 3.35Å; E665-I691 PolarHBondContact O-N 3.5Å |
| 666 | L | 91.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.2 | 170.1 | -166.3 | 95.3 | 0 | 0 | 0 | 111.9 | K670 L688 T689 Y703 L750 A763 V765 | L666-K670 HydrophobicContact CD2-CD 4.23Å; L666-K670 HydrophobicContact CD2-CG 3.54Å; L666-K670 WeakPolarHBondContact O-CE 3.47Å; L666-K670 PolarHBondContact O-NZ 2.91Å; L666-L688 HydrophobicContact CD1-CB 3.77Å; L666-L688 HydrophobicContact CD1-CD1 3.77Å; L666-L688 HydrophobicContact CD1-CD2 4.1Å; L666-L688 HydrophobicContact CD1-CG 4.07Å; L666-L688 HydrophobicContact CD2-CD2 4.42Å; L666-T689 WeakPolarHBondContact CD1-O 3.46Å; L666-Y703 HydrophobicContact CD1-CE1 4.12Å; L666-L750 HydrophobicContact CB-CD1 4.41Å; L666-L750 HydrophobicContact CB-CD2 4.12Å; L666-L750 HydrophobicContact CD1-CD2 3.97Å; L666-A763 HydrophobicContact CB-CB 4.02Å; L666-A763 HydrophobicContact CD2-CB 4.16Å; L666-V765 HydrophobicContact CD2-CG2 4.07Å |
| 667 | I | 88.7 | Confident | 90.5 | Very high | 70 Ų | 70 | 52 Ų | 52 | 36% | 0.359 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 167.7 | 175 | 57.9 | 151.8 | 0 | 0 | 0 | 111.8 | E665 T689 I691 | E665-I667 PolarHBondContact O-N 3.49Å; I667-T689 WeakPolarHBondContact CG1-O 3.35Å; I667-T689 PolarHBondContact N-O 3.04Å; I667-T689 PolarHBondContact O-OG1 2.98Å; I667-I691 HydrophobicContact CD1-CD1 3.91Å; I667-I691 HydrophobicContact CD1-CG1 3.81Å; I667-I691 HydrophobicContact CG1-CG1 4.21Å; I667-I691 HydrophobicContact CG2-CD1 4.17Å; I667-I691 HydrophobicContact CG2-CG1 4.2Å |
| 668 | G | 84.1 | Confident | 90.2 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 79.3 | -149.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 669 | S | 83 | Confident | 89.8 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | trans | -78.6 | 124.8 | -176.4 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | T671 F672 | S669-T671 VanDerWaalsContact C-N 3.26Å; S669-T671 PolarHBondContact OG-N 3.38Å; S669-T671 PolarHBondContact OG-O 2.8Å; S669-F672 WeakPolarHBondContact O-CZ 3.24Å | ||
| 670 | K | 90.1 | Very high | 89.3 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -87.9 | 5.6 | 167.9 | -74.1 | 164.4 | -174.5 | 172.7 | 0 | 112.1 | E665 L666 V765 I766 | E665-K670 IonicContact OE1-NZ 2.9Å; L666-K670 HydrophobicContact CD2-CD 4.23Å; L666-K670 HydrophobicContact CD2-CG 3.54Å; L666-K670 WeakPolarHBondContact O-CE 3.47Å; L666-K670 PolarHBondContact O-NZ 2.91Å; K670-V765 WeakPolarHBondContact O-CA 3.24Å; K670-I766 PolarHBondContact O-N 3.08Å |
| 671 | T | 93.6 | Very high | 88.8 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.4 | -176.6 | -45.5 | 0 | 0 | 0 | 0 | 111.1 | S669 I766 N768 | S669-T671 VanDerWaalsContact C-N 3.26Å; S669-T671 PolarHBondContact OG-N 3.38Å; S669-T671 PolarHBondContact OG-O 2.8Å; T671-I766 CarbonylContact C-O 3.54Å; T671-I766 WeakPolarHBondContact CA-O 3.38Å; T671-I766 HydrophobicContact CG2-CB 4.34Å; T671-I766 HydrophobicContact CG2-CG2 4.39Å; T671-N768 VanDerWaalsContact CG2-ND2 3.26Å; T671-N768 WeakPolarHBondContact CG2-ND2 3.4Å |
| 672 | F | 93.4 | Very high | 88.1 | Confident | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 167.7 | 177.8 | -63.3 | -76.7 | 0 | 0 | 0 | 111.5 | S669 V685 G686 L688 V765 I766 V767 N768 | S669-F672 WeakPolarHBondContact O-CZ 3.24Å; F672-V685 HydrophobicContact CB-CG1 4.22Å; F672-V685 WeakPolarHBondContact CB-O 3.4Å; F672-G686 VanDerWaalsContact CD1-CA 3.48Å; F672-L688 HydrophobicContact CE2-CD2 3.65Å; F672-L688 HydrophobicContact CZ-CD2 4Å; F672-V765 HydrophobicContact CD2-CG1 3.64Å; F672-V765 HydrophobicContact CE2-CG1 3.7Å; F672-I766 PolarHBondContact N-O 2.96Å; F672-V767 HydrophobicContact CB-CG2 4.37Å; F672-N768 PolarHBondContact O-N 2.58Å; F672-N768 PolarHBondContact O-ND2 3.16Å |
| 673 | Q | 92.4 | Very high | 87.4 | Confident | 130 Ų | 130 | 58 Ų | 58 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.7 | 178.6 | -68.8 | -179.1 | -31.8 | 0 | 0 | 108.5 | N768 L770 | Q673-N768 WeakPolarHBondContact CA-O 3.35Å; Q673-N768 HydrophobicContact CG-CB 4.36Å; Q673-L770 HydrophobicContact CB-CD1 4.02Å; Q673-L770 HydrophobicContact CB-CD2 4.42Å; Q673-L770 HydrophobicContact CB-CG 4.2Å; Q673-L770 HydrophobicContact CG-CD2 4.32Å |
| 674 | I | 91.9 | Very high | 87.3 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.8 | 171 | -175.1 | 162.7 | 0 | 0 | 0 | 108.5 | D683 V685 A732 L736 V767 N768 V769 L770 | I674-D683 HydrophobicContact CD1-CB 4.31Å; I674-V685 HydrophobicContact CD1-CG2 3.62Å; I674-A732 HydrophobicContact CD1-CB 4.12Å; I674-L736 HydrophobicContact CG2-CD1 3.81Å; I674-V767 HydrophobicContact CG2-CG1 3.76Å; I674-N768 PolarHBondContact N-O 2.9Å; I674-V769 CarbonylContact O-C 3.48Å; I674-V769 WeakPolarHBondContact O-CA 3.47Å; I674-L770 PolarHBondContact O-N 2.94Å |
| 675 | V | 90.6 | Very high | 87.1 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 142.5 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | R678 L770 E772 | V675-R678 WeakPolarHBondContact O-CG 3.12Å; V675-L770 HydrophobicContact CG2-CB 4.41Å; V675-L770 HydrophobicContact CG2-CD1 4.35Å; V675-E772 HydrophobicContact CG1-CG 3.5Å; V675-E772 WeakPolarHBondContact CG1-OE1 3.48Å |
| 676 | E | 90.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -175.3 | 176.5 | 77.2 | -173.7 | 118.2 | 0 | 0 | 113.1 | R678 R738 V769 L770 D771 E772 | E676-R678 WeakPolarHBondContact O-CG 3.45Å; E676-R678 PolarHBondContact O-N 3.42Å; E676-R738 WeakPolarHBondContact OE1-CB 3.48Å; E676-R738 VanDerWaalsContact OE2-CB 3.22Å; E676-R738 WeakPolarHBondContact OE2-CB 3.21Å; E676-R738 PolarHBondContact OE2-N 3.37Å; E676-V769 HydrophobicContact CB-CG1 3.53Å; E676-L770 PolarHBondContact N-O 2.64Å; E676-D771 VanDerWaalsContact OE1-CA 3.24Å; E676-D771 WeakPolarHBondContact OE1-CA 3.47Å; E676-E772 HydrophobicContact CG-CB 4.25Å; E676-E772 PolarHBondContact OE1-N 2.68Å |
| 677 | N | 87 | Confident | 87.2 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.214 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -7 | 175.5 | -78.9 | -41.1 | 0 | 0 | 0 | 116 | K735 L736 D774 | N677-K735 WeakPolarHBondContact OD1-CE 3.23Å; N677-K735 PolarHBondContact OD1-NZ 3.28Å; N677-L736 PolarHBondContact N-O 2.86Å; N677-D774 PolarHBondContact ND2-OD2 3.31Å; N677-D774 PolarHBondContact OD1-OD2 3Å |
| 678 | R | 85.9 | Confident | 87.4 | Confident | 82 Ų | 82 | 55 Ų | 55 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 143.6 | -178.2 | -58.2 | -58.6 | 158.9 | 108.6 | -11.3 | 113.9 | V675 E676 D683 K735 E772 | V675-R678 WeakPolarHBondContact O-CG 3.12Å; E676-R678 WeakPolarHBondContact O-CG 3.45Å; E676-R678 PolarHBondContact O-N 3.42Å; R678-D683 WeakPolarHBondContact CD-OD2 3.27Å; R678-D683 IonicContact CZ-OD2 3.61Å; R678-D683 IonicContact NH1-OD2 2.75Å; R678-D683 PolarHBondContact NH1-OD2 3.41Å; R678-K735 WeakPolarHBondContact O-CA 3.18Å; R678-E772 IonicContact CZ-OE1 3.67Å; R678-E772 IonicContact NE-OE1 3.43Å; R678-E772 IonicContact NH2-OE1 3.39Å; R678-E772 PolarHBondContact NH2-OE1 2.94Å |
| 679 | P | 83.1 | Confident | 87.7 | Confident | 88 Ų | 88 | 55.1 Ų | 55.1 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 143.7 | 171.2 | -22.8 | 32.7 | 0 | 0 | 0 | 112.6 | F681 S682 | P679-F681 PolarHBondContact O-N 2.9Å; P679-S682 WeakPolarHBondContact CD-OG 3.25Å; P679-S682 PolarHBondContact O-N 3.04Å; P679-S682 PolarHBondContact O-OG 3.23Å; P679-S682 VanDerWaalsContact O-OG 3.06Å |
| 680 | G | 80.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 134.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S682 | G680-S682 VanDerWaalsContact C-N 3.27Å; G680-S682 PolarHBondContact O-N 2.86Å |
| 681 | F | 81.8 | Confident | 88.2 | Confident | 116 Ų | 116 | 52.4 Ų | 52.4 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 6.2 | -176.9 | -51.3 | -90.5 | 0 | 0 | 0 | 117.1 | P679 M722 A732 T733 | P679-F681 PolarHBondContact O-N 2.9Å; F681-M722 HydrophobicContact CD1-CE 4.23Å; F681-M722 HydrophobicContact CE1-CE 3.83Å; F681-M722 HydrophobicContact CE1-SD 4.16Å; F681-A732 PolarHBondContact N-O 2.93Å; F681-T733 HydrophobicContact CE1-CG2 3.75Å; F681-T733 HydrophobicContact CE2-CG2 4.33Å; F681-T733 WeakPolarHBondContact CE2-O 3.47Å; F681-T733 HydrophobicContact CZ-CG2 3.59Å |
| 682 | S | 74.4 | Confident | 88.3 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -44.1 | 176.2 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | P679 G680 | P679-S682 WeakPolarHBondContact CD-OG 3.25Å; P679-S682 PolarHBondContact O-N 3.04Å; P679-S682 PolarHBondContact O-OG 3.23Å; P679-S682 VanDerWaalsContact O-OG 3.06Å; G680-S682 VanDerWaalsContact C-N 3.27Å; G680-S682 PolarHBondContact O-N 2.86Å |
| 683 | D | 77.4 | Confident | 88.2 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -111.6 | 136.3 | -168.3 | -65.2 | 30 | 0 | 0 | 0 | 110.1 | I674 R678 V685 | I674-D683 HydrophobicContact CD1-CB 4.31Å; R678-D683 WeakPolarHBondContact CD-OD2 3.27Å; R678-D683 IonicContact CZ-OD2 3.61Å; R678-D683 IonicContact NH1-OD2 2.75Å; R678-D683 PolarHBondContact NH1-OD2 3.41Å; D683-V685 PolarHBondContact O-N 2.76Å |
| 684 | L | 88.2 | Confident | 88.2 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.2 | 174.2 | -179.5 | 73.8 | 0 | 0 | 0 | 108.9 | G686 K729 I730 F731 | L684-G686 VanDerWaalsContact C-N 3.34Å; L684-G686 WeakPolarHBondContact CD1-O 3.24Å; L684-K729 HydrophobicContact CD1-CB 3.8Å; L684-K729 HydrophobicContact CD1-CD 4.3Å; L684-K729 HydrophobicContact CD1-CG 4.04Å; L684-I730 WeakPolarHBondContact CD1-O 3.31Å; L684-F731 HydrophobicContact CB-CE1 4.31Å; L684-F731 HydrophobicContact CD1-CD1 4.15Å; L684-F731 HydrophobicContact CD1-CE1 3.66Å; L684-F731 HydrophobicContact CD1-CE2 4.06Å; L684-F731 HydrophobicContact CD1-CZ 3.62Å |
| 685 | V | 91.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -41.3 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | F672 I674 D683 F721 I730 A732 V767 | F672-V685 HydrophobicContact CB-CG1 4.22Å; F672-V685 WeakPolarHBondContact CB-O 3.4Å; I674-V685 HydrophobicContact CD1-CG2 3.62Å; D683-V685 PolarHBondContact O-N 2.76Å; V685-F721 HydrophobicContact CG2-CD1 4.29Å; V685-F721 HydrophobicContact CG2-CE1 4.07Å; V685-I730 HydrophobicContact CB-CB 4.27Å; V685-I730 HydrophobicContact CB-CG2 4.01Å; V685-I730 WeakPolarHBondContact CB-O 3.38Å; V685-I730 HydrophobicContact CG1-CG2 4.28Å; V685-I730 HydrophobicContact CG2-CG2 4.34Å; V685-I730 PolarHBondContact N-O 3.03Å; V685-A732 HydrophobicContact CG2-CB 4.07Å; V685-V767 HydrophobicContact CG1-CB 4.23Å; V685-V767 HydrophobicContact CG1-CG1 3.6Å; V685-V767 HydrophobicContact CG1-CG2 3.52Å |
| 686 | G | 90.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 172 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F672 L684 I730 | F672-G686 VanDerWaalsContact CD1-CA 3.48Å; L684-G686 VanDerWaalsContact C-N 3.34Å; L684-G686 WeakPolarHBondContact CD1-O 3.24Å; G686-I730 PolarHBondContact O-N 3.34Å |
| 687 | Q | 92.8 | Very high | 88.2 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.1 | 168.4 | -175.7 | 171.5 | -6.3 | 0 | 0 | 108.9 | T727 K729 | Q687-T727 VanDerWaalsContact CG-O 3.32Å; Q687-T727 WeakPolarHBondContact CG-O 3.1Å; Q687-T727 PolarHBondContact NE2-O 2.87Å; Q687-K729 HydrophobicContact CB-CG 4.01Å; Q687-K729 VanDerWaalsContact CD-CE 3.47Å; Q687-K729 HydrophobicContact CG-CG 3.66Å |
| 688 | L | 92.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | trans | -76.8 | 147.6 | 172 | -61.8 | -166.8 | 0 | 0 | 0 | 110.9 | L666 F672 Y703 I723 G728 I730 I748 V765 | L666-L688 HydrophobicContact CD1-CB 3.77Å; L666-L688 HydrophobicContact CD1-CD1 3.77Å; L666-L688 HydrophobicContact CD1-CD2 4.1Å; L666-L688 HydrophobicContact CD1-CG 4.07Å; L666-L688 HydrophobicContact CD2-CD2 4.42Å; F672-L688 HydrophobicContact CE2-CD2 3.65Å; F672-L688 HydrophobicContact CZ-CD2 4Å; L688-Y703 HydrophobicContact CB-CD1 4.12Å; L688-Y703 HydrophobicContact CB-CE1 3.55Å; L688-Y703 HydrophobicContact CD1-CD1 3.84Å; L688-Y703 HydrophobicContact CD1-CE1 4.01Å; L688-Y703 HydrophobicContact CG-CE1 4.43Å; L688-I723 HydrophobicContact CD1-CD1 3.57Å; L688-I723 HydrophobicContact CG-CD1 4.2Å; L688-G728 WeakPolarHBondContact CB-O 3.14Å; L688-G728 WeakPolarHBondContact CG-O 3.12Å; L688-G728 PolarHBondContact N-O 2.71Å; L688-I730 HydrophobicContact CD1-CD1 4.27Å; L688-I730 HydrophobicContact CD2-CD1 3.91Å; L688-I730 HydrophobicContact CG-CD1 3.97Å; L688-I730 HydrophobicContact CG-CG1 4.41Å; L688-I748 HydrophobicContact CD1-CD1 3.73Å; L688-I748 HydrophobicContact CD1-CG2 4.07Å; L688-V765 HydrophobicContact CD1-CG2 4.44Å; L688-V765 HydrophobicContact CD2-CG1 4.26Å; L688-V765 HydrophobicContact CD2-CG2 3.92Å | ||
| 689 | T | 91.7 | Very high | 88.6 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | 167.8 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | L666 I667 Y703 | L666-T689 WeakPolarHBondContact CD1-O 3.46Å; I667-T689 WeakPolarHBondContact CG1-O 3.35Å; I667-T689 PolarHBondContact N-O 3.04Å; I667-T689 PolarHBondContact O-OG1 2.98Å; T689-Y703 WeakPolarHBondContact CA-OH 3.47Å |
| 690 | S | 91.6 | Very high | 89 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.2 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | E665 V701 Y703 | E665-S690 CarbonylContact O-C 3.55Å; E665-S690 WeakPolarHBondContact O-CA 3.43Å; E665-S690 WeakPolarHBondContact O-CB 2.88Å; S690-V701 WeakPolarHBondContact OG-CB 3.19Å; S690-V701 WeakPolarHBondContact OG-CG1 3.3Å; S690-Y703 WeakPolarHBondContact CB-OH 3.18Å; S690-Y703 PolarHBondContact N-OH 2.89Å; S690-Y703 VanDerWaalsContact N-OH 3.09Å; S690-Y703 PolarHBondContact OG-OH 3.32Å |
| 691 | I | 92.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 35% | 0.349 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.8 | 161.9 | -62.2 | 177.7 | 0 | 0 | 0 | 106.1 | E665 I667 Q693 | E665-I691 PolarHBondContact N-O 3.35Å; E665-I691 PolarHBondContact O-N 3.5Å; I667-I691 HydrophobicContact CD1-CD1 3.91Å; I667-I691 HydrophobicContact CD1-CG1 3.81Å; I667-I691 HydrophobicContact CG1-CG1 4.21Å; I667-I691 HydrophobicContact CG2-CD1 4.17Å; I667-I691 HydrophobicContact CG2-CG1 4.2Å; I691-Q693 HydrophobicContact CG2-CG 4.38Å |
| 692 | D | 94.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | trans | -109.3 | 150 | 144.2 | -151.7 | -28.6 | 0 | 0 | 0 | 106.9 | N662 S663 P664 V701 | N662-D692 VanDerWaalsContact CB-OD1 3.22Å; N662-D692 WeakPolarHBondContact CB-OD1 3.14Å; S663-D692 VanDerWaalsContact CA-OD2 3.23Å; S663-D692 WeakPolarHBondContact CA-OD2 3.49Å; S663-D692 PolarHBondContact N-OD1 2.65Å; P664-D692 HydrophobicContact CB-CB 4.45Å; P664-D692 WeakPolarHBondContact CD-OD2 3.49Å; P664-D692 HydrophobicContact CG-CB 4.3Å; P664-D692 VanDerWaalsContact CG-OD2 3.23Å; P664-D692 WeakPolarHBondContact CG-OD2 3.14Å; D692-V701 HydrophobicContact CB-CG2 3.86Å | ||
| 693 | Q | 91.8 | Very high | 91.2 | Very high | 114 Ų | 114 | 45.4 Ų | 45.4 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | trans | -91 | -28.7 | -170.5 | -58.4 | -68.3 | -8.4 | 0 | 0 | 112.2 | R621 E622 N662 I691 | R621-Q693 PolarHBondContact NH2-O 2.97Å; E622-Q693 HydrophobicContact CB-CB 4.29Å; E622-Q693 HydrophobicContact CG-CB 3.48Å; E622-Q693 VanDerWaalsContact CG-CB 3.48Å; N662-Q693 HydrophobicContact CB-CB 4.22Å; I691-Q693 HydrophobicContact CG2-CG 4.38Å | ||
| 694 | D | 93.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -60 | 163.6 | -177.4 | -58.3 | -4.1 | 0 | 0 | 0 | 112.2 | N660 D661 N662 N698 G699 | N660-D694 VanDerWaalsContact CA-OD2 3.24Å; N660-D694 WeakPolarHBondContact CA-OD2 3.24Å; N660-D694 PolarHBondContact OD1-OD2 3.11Å; D661-D694 PolarHBondContact N-OD2 2.75Å; N662-D694 WeakPolarHBondContact CB-OD1 3.41Å; N662-D694 PolarHBondContact N-OD1 2.74Å; N662-D694 PolarHBondContact N-OD2 3.4Å; N662-D694 PolarHBondContact ND2-OD1 2.75Å; D694-N698 HydrophobicContact CB-CB 3.55Å; D694-G699 WeakPolarHBondContact O-CA 3.22Å; D694-G699 PolarHBondContact O-N 2.82Å |
| 695 | D | 90.1 | Very high | 92.2 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -85.1 | 154.9 | -174.6 | -156.1 | 4.5 | 0 | 0 | 0 | 113.6 | D658 N697 N698 G699 | D658-D695 HydrophobicContact CB-CB 3.89Å; D658-D695 VanDerWaalsContact CG-N 3.35Å; D658-D695 WeakPolarHBondContact OD1-CB 3.16Å; D658-D695 PolarHBondContact OD1-N 3.32Å; D695-N697 PolarHBondContact O-N 3.49Å; D695-N697 VanDerWaalsContact O-N 3.15Å; D695-N698 WeakPolarHBondContact O-CB 3.38Å; D695-N698 PolarHBondContact O-N 3.11Å; D695-G699 PolarHBondContact O-N 2.81Å |
| 696 | G | 90.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 49 Ų | 49 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | -118.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | N698 G699 T700 | G696-N698 VanDerWaalsContact C-N 3.35Å; G696-G699 PolarHBondContact O-N 3.39Å; G696-T700 WeakPolarHBondContact O-CB 3.35Å; G696-T700 PolarHBondContact O-N 2.85Å; G696-T700 PolarHBondContact O-OG1 3.36Å |
| 697 | N | 91.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -30 | -178.5 | -78.7 | 16.7 | 0 | 0 | 0 | 113.4 | D695 G699 T700 L753 G754 | D695-N697 PolarHBondContact O-N 3.49Å; D695-N697 VanDerWaalsContact O-N 3.15Å; N697-G699 VanDerWaalsContact C-N 3.34Å; N697-T700 PolarHBondContact O-N 2.82Å; N697-L753 HydrophobicContact CB-CB 4.3Å; N697-L753 CarbonylContact O-C 3.55Å; N697-L753 WeakPolarHBondContact O-CA 3.36Å; N697-L753 PolarHBondContact O-N 3.41Å; N697-L753 VanDerWaalsContact O-N 3.11Å; N697-G754 PolarHBondContact O-N 2.88Å |
| 698 | N | 90.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -38.1 | 177.3 | -59.1 | -19.7 | 0 | 0 | 0 | 109.1 | D658 N660 D694 D695 G696 T700 D752 G754 | D658-N698 PolarHBondContact OD2-ND2 3.46Å; N660-N698 HydrophobicContact CB-CB 4.04Å; N660-N698 PolarHBondContact N-ND2 3.34Å; D694-N698 HydrophobicContact CB-CB 3.55Å; D695-N698 WeakPolarHBondContact O-CB 3.38Å; D695-N698 PolarHBondContact O-N 3.11Å; G696-N698 VanDerWaalsContact C-N 3.35Å; N698-T700 VanDerWaalsContact C-N 3.32Å; N698-T700 PolarHBondContact O-N 2.87Å; N698-D752 WeakPolarHBondContact O-CB 3.45Å; N698-G754 WeakPolarHBondContact OD1-CA 3.46Å |
| 699 | G | 90.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -72.3 | -10.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117 | D694 D695 G696 N697 V701 | D694-G699 WeakPolarHBondContact O-CA 3.22Å; D694-G699 PolarHBondContact O-N 2.82Å; D695-G699 PolarHBondContact O-N 2.81Å; G696-G699 PolarHBondContact O-N 3.39Å; N697-G699 VanDerWaalsContact C-N 3.34Å; G699-V701 PolarHBondContact O-N 2.93Å |
| 700 | T | 92.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | trans | -91.4 | 104.8 | -168.4 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | G696 N697 N698 D752 L753 | G696-T700 WeakPolarHBondContact O-CB 3.35Å; G696-T700 PolarHBondContact O-N 2.85Å; G696-T700 PolarHBondContact O-OG1 3.36Å; N697-T700 PolarHBondContact O-N 2.82Å; N698-T700 VanDerWaalsContact C-N 3.32Å; N698-T700 PolarHBondContact O-N 2.87Å; T700-D752 CarbonylContact O-C 3.54Å; T700-D752 WeakPolarHBondContact O-CA 3.34Å; T700-L753 HydrophobicContact CG2-CD1 3.6Å; T700-L753 HydrophobicContact CG2-CG 4.08Å; T700-L753 PolarHBondContact O-N 2.91Å | ||
| 701 | V | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | trans | -90.3 | 129.6 | -172.8 | -171.5 | 0 | 0 | 0 | 0 | 113.7 | P664 S690 D692 G699 L750 H751 | P664-V701 HydrophobicContact CB-CB 4.32Å; P664-V701 HydrophobicContact CB-CG1 3.63Å; P664-V701 HydrophobicContact CB-CG2 3.7Å; P664-V701 HydrophobicContact CG-CG1 4.07Å; P664-V701 HydrophobicContact CG-CG2 3.95Å; S690-V701 WeakPolarHBondContact OG-CB 3.19Å; S690-V701 WeakPolarHBondContact OG-CG1 3.3Å; D692-V701 HydrophobicContact CB-CG2 3.86Å; G699-V701 PolarHBondContact O-N 2.93Å; V701-L750 HydrophobicContact CG1-CB 3.96Å; V701-L750 HydrophobicContact CG1-CD2 4.21Å; V701-H751 CarbonylContact C-O 3.53Å; V701-H751 WeakPolarHBondContact CA-O 3.44Å | ||
| 702 | H | 93.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.4 | 168.1 | -82.6 | -139 | 0 | 0 | 0 | 112.3 | S725 D726 L750 H751 | H702-S725 CarbonylContact C-O 3.58Å; H702-S725 WeakPolarHBondContact CA-O 3.2Å; H702-S725 PolarHBondContact ND1-OG 2.89Å; H702-D726 IonicContact CE1-OD1 2.76Å; H702-D726 PolarHBondContact CE1-OD1 3.43Å; H702-D726 IonicContact ND1-OD1 3.16Å; H702-D726 IonicContact NE2-OD1 2.83Å; H702-L750 WeakPolarHBondContact O-CA 3.3Å; H702-H751 WeakPolarHBondContact CB-CE1 3.42Å; H702-H751 PolarHBondContact N-O 3.11Å; H702-H751 PolarHBondContact O-CE1 3.3Å; H702-H751 PolarHBondContact O-N 3.5Å; H702-H751 PolarHBondContact O-ND1 3.19Å |
| 703 | Y | 94.5 | Very high | 90.5 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.9 | -175 | -59.9 | -96.5 | 0 | 0 | 0 | 112.9 | L666 L688 T689 S690 I723 S725 L749 L750 | L666-Y703 HydrophobicContact CD1-CE1 4.12Å; L688-Y703 HydrophobicContact CB-CD1 4.12Å; L688-Y703 HydrophobicContact CB-CE1 3.55Å; L688-Y703 HydrophobicContact CD1-CD1 3.84Å; L688-Y703 HydrophobicContact CD1-CE1 4.01Å; L688-Y703 HydrophobicContact CG-CE1 4.43Å; T689-Y703 WeakPolarHBondContact CA-OH 3.47Å; S690-Y703 WeakPolarHBondContact CB-OH 3.18Å; S690-Y703 PolarHBondContact N-OH 2.89Å; S690-Y703 VanDerWaalsContact N-OH 3.09Å; S690-Y703 PolarHBondContact OG-OH 3.32Å; Y703-I723 HydrophobicContact CD1-CD1 4.26Å; Y703-I723 HydrophobicContact CG-CD1 4.24Å; Y703-S725 WeakPolarHBondContact CD2-O 3.39Å; Y703-S725 PolarHBondContact N-O 2.97Å; Y703-S725 WeakPolarHBondContact O-CA 3.3Å; Y703-L749 CarbonylContact C-O 3.59Å; Y703-L749 WeakPolarHBondContact CA-O 3.38Å; Y703-L750 HydrophobicContact CD1-CD2 4.25Å; Y703-L750 HydrophobicContact CD1-CG 4.23Å; Y703-L750 HydrophobicContact CE1-CD2 3.87Å; Y703-L750 HydrophobicContact CE1-CG 4.36Å |
| 704 | K | 93.4 | Very high | 90.2 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 55% | 0.548 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 122.4 | 178.4 | 177 | 179.9 | -179.6 | 179.1 | 0 | 113 | I706 L749 | K704-I706 PolarHBondContact O-N 2.83Å; K704-L749 HydrophobicContact CB-CB 4.24Å; K704-L749 HydrophobicContact CD-CD2 4.3Å; K704-L749 PolarHBondContact N-O 3.28Å; K704-L749 PolarHBondContact O-N 3.27Å |
| 705 | L | 93.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 118.6 | 176.7 | -179.7 | 61.4 | 0 | 0 | 0 | 111.3 | V708 F721 I723 L746 I748 | L705-V708 HydrophobicContact CD1-CG2 4.16Å; L705-V708 HydrophobicContact CD2-CG2 3.94Å; L705-V708 HydrophobicContact CG-CG2 4.42Å; L705-F721 HydrophobicContact CD2-CB 4.15Å; L705-F721 VanDerWaalsContact CD2-O 3.25Å; L705-F721 WeakPolarHBondContact CD2-O 3.45Å; L705-I723 HydrophobicContact CB-CG2 3.8Å; L705-L746 HydrophobicContact CD1-CB 3.87Å; L705-L746 HydrophobicContact CD1-CD2 3.89Å; L705-L746 HydrophobicContact CD1-CG 4.3Å; L705-L746 HydrophobicContact CD2-CD2 4.4Å; L705-I748 HydrophobicContact CD1-CG1 3.94Å |
| 706 | I | 91.9 | Very high | 89.4 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -50.8 | 178.3 | -63.1 | 162.2 | 0 | 0 | 0 | 110.6 | K704 N718 I747 L749 T762 | K704-I706 PolarHBondContact O-N 2.83Å; I706-N718 PolarHBondContact O-ND2 2.74Å; I706-I747 HydrophobicContact CB-CG2 4.42Å; I706-I747 WeakPolarHBondContact CB-O 3.37Å; I706-I747 HydrophobicContact CD1-CG2 4.07Å; I706-I747 PolarHBondContact N-O 3.05Å; I706-L749 HydrophobicContact CD1-CB 3.85Å; I706-L749 HydrophobicContact CG1-CB 4.08Å; I706-T762 HydrophobicContact CD1-CG2 3.81Å |
| 707 | S | 91.7 | Very high | 88.9 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 156.5 | -175.3 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | I747 | S707-I747 PolarHBondContact N-O 3.43Å; S707-I747 PolarHBondContact O-N 3Å |
| 708 | V | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.5 | 170.8 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L705 I716 F721 Y744 E745 L746 | L705-V708 HydrophobicContact CD1-CG2 4.16Å; L705-V708 HydrophobicContact CD2-CG2 3.94Å; L705-V708 HydrophobicContact CG-CG2 4.42Å; V708-I716 HydrophobicContact CB-CB 4.17Å; V708-I716 HydrophobicContact CG1-CB 4.27Å; V708-I716 HydrophobicContact CG1-CD1 4.13Å; V708-I716 PolarHBondContact O-N 3.41Å; V708-F721 HydrophobicContact CG1-CD2 3.92Å; V708-F721 HydrophobicContact CG1-CE2 4.14Å; V708-F721 HydrophobicContact CG2-CD2 4.18Å; V708-Y744 HydrophobicContact CG1-CD1 4.34Å; V708-E745 CarbonylContact C-O 3.53Å; V708-E745 VanDerWaalsContact CA-O 3.27Å; V708-E745 WeakPolarHBondContact CA-O 3.45Å; V708-L746 HydrophobicContact CG1-CG 4.45Å; V708-L746 HydrophobicContact CG2-CD2 4.32Å; V708-L746 HydrophobicContact CG2-CG 4.25Å |
| 709 | S | 92.4 | Very high | 87.8 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.3 | 174.1 | -28.8 | 0 | 0 | 0 | 0 | 110.5 | K714 Y744 E745 | S709-K714 WeakPolarHBondContact CA-O 3.37Å; S709-Y744 VanDerWaalsContact O-CA 3.29Å; S709-Y744 WeakPolarHBondContact O-CA 3.41Å; S709-E745 PolarHBondContact N-O 2.88Å; S709-E745 PolarHBondContact O-N 3.45Å |
| 710 | D | 89.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 174.7 | 163.4 | 65.3 | 14.2 | 0 | 0 | 0 | 112.4 | K712 N713 K714 I716 N741 | D710-K712 PolarHBondContact O-N 2.88Å; D710-K712 VanDerWaalsContact OD1-CA 3.24Å; D710-K712 WeakPolarHBondContact OD1-CA 3.5Å; D710-K712 WeakPolarHBondContact OD1-CB 3.2Å; D710-K712 PolarHBondContact OD1-N 3.12Å; D710-N713 PolarHBondContact O-N 3.27Å; D710-N713 PolarHBondContact OD1-N 2.97Å; D710-N713 VanDerWaalsContact OD1-N 3.08Å; D710-K714 PolarHBondContact N-O 3.04Å; D710-K714 VanDerWaalsContact N-O 3.1Å; D710-K714 WeakPolarHBondContact OD1-CB 3.37Å; D710-K714 PolarHBondContact OD1-N 2.7Å; D710-K714 WeakPolarHBondContact OD2-CB 3.32Å; D710-I716 HydrophobicContact CB-CD1 3.99Å; D710-I716 HydrophobicContact CB-CG1 4.5Å; D710-N741 HydrophobicContact CB-CB 4.41Å; D710-N741 WeakPolarHBondContact CB-OD1 3.45Å |
| 711 | N | 81.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -1.6 | 171.1 | 65.6 | 12.1 | 0 | 0 | 0 | 115.3 | S742 Q743 | N711-S742 PolarHBondContact ND2-OG 3.5Å; N711-S742 VanDerWaalsContact ND2-OG 3.12Å; N711-Q743 HydrophobicContact CB-CB 4.23Å; N711-Q743 PolarHBondContact N-O 3.33Å; N711-Q743 VanDerWaalsContact N-O 3.12Å |
| 712 | K | 82 | Confident | 87.6 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 12.3 | 172.6 | -54 | 117 | -172.2 | 165 | 0 | 112.1 | D710 K714 E740 N741 | D710-K712 PolarHBondContact O-N 2.88Å; D710-K712 VanDerWaalsContact OD1-CA 3.24Å; D710-K712 WeakPolarHBondContact OD1-CA 3.5Å; D710-K712 WeakPolarHBondContact OD1-CB 3.2Å; D710-K712 PolarHBondContact OD1-N 3.12Å; K712-K714 PolarHBondContact O-N 3.5Å; K712-E740 PolarHBondContact NZ-O 2.87Å; K712-N741 PolarHBondContact NZ-OD1 3.37Å |
| 713 | N | 78.7 | Confident | 87.6 | Confident | 134 Ų | 134 | 64.4 Ų | 64.4 | 72% | 0.717 | 31% | 0.312 | S | S | * | . | trans | 59.6 | 19.8 | -176 | -61.2 | -22.9 | 0 | 0 | 0 | 115 | D710 | D710-N713 PolarHBondContact O-N 3.27Å; D710-N713 PolarHBondContact OD1-N 2.97Å; D710-N713 VanDerWaalsContact OD1-N 3.08Å | ||
| 714 | K | 85.2 | Confident | 87.5 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 57% | 0.574 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 127.7 | 173.9 | 176.3 | -167.3 | 170.1 | -160.8 | 0 | 108.6 | S709 D710 K712 I716 | S709-K714 WeakPolarHBondContact CA-O 3.37Å; D710-K714 PolarHBondContact N-O 3.04Å; D710-K714 VanDerWaalsContact N-O 3.1Å; D710-K714 WeakPolarHBondContact OD1-CB 3.37Å; D710-K714 PolarHBondContact OD1-N 2.7Å; D710-K714 WeakPolarHBondContact OD2-CB 3.32Å; K712-K714 PolarHBondContact O-N 3.5Å; K714-I716 PolarHBondContact O-N 2.74Å |
| 715 | R | 85.5 | Confident | 87.5 | Confident | 174 Ų | 174 | 62.3 Ų | 62.3 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.1 | 177.4 | -172.9 | 176.4 | -177.6 | 162.9 | 5.4 | 110.9 | ||
| 716 | I | 83.2 | Confident | 87.4 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 148.4 | 178.9 | -57.1 | -177.9 | 0 | 0 | 0 | 109.2 | V708 D710 K714 N718 L720 Y744 | V708-I716 HydrophobicContact CB-CB 4.17Å; V708-I716 HydrophobicContact CG1-CB 4.27Å; V708-I716 HydrophobicContact CG1-CD1 4.13Å; V708-I716 PolarHBondContact O-N 3.41Å; D710-I716 HydrophobicContact CB-CD1 3.99Å; D710-I716 HydrophobicContact CB-CG1 4.5Å; K714-I716 PolarHBondContact O-N 2.74Å; I716-N718 PolarHBondContact O-N 3.27Å; I716-L720 HydrophobicContact CG2-CB 4.31Å; I716-L720 HydrophobicContact CG2-CD1 3.42Å; I716-L720 VanDerWaalsContact CG2-CD1 3.42Å; I716-L720 HydrophobicContact CG2-CG 4.47Å; I716-Y744 HydrophobicContact CD1-CD1 3.4Å; I716-Y744 VanDerWaalsContact CD1-CD1 3.4Å; I716-Y744 HydrophobicContact CD1-CE1 3.4Å; I716-Y744 VanDerWaalsContact CD1-CE1 3.4Å |
| 717 | P | 79.2 | Confident | 87.3 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.7 | 166.7 | -23.3 | 34.2 | 0 | 0 | 0 | 111.6 | E719 L720 | P717-E719 HydrophobicContact CB-CG 4.46Å; P717-E719 PolarHBondContact O-N 2.83Å; P717-L720 PolarHBondContact O-N 2.68Å |
| 718 | N | 76.3 | Confident | 87.3 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -62.1 | -1.6 | 178 | -61.7 | 23.7 | 0 | 0 | 0 | 113.6 | I706 I716 L720 | I706-N718 PolarHBondContact O-ND2 2.74Å; I716-N718 PolarHBondContact O-N 3.27Å; N718-L720 PolarHBondContact O-N 2.99Å |
| 719 | E | 82.6 | Confident | 87.3 | Confident | 129 Ų | 129 | 68 Ų | 68 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -70.7 | 0.5 | 174.4 | -57.7 | -177 | -172.1 | 0 | 0 | 115.3 | P717 T733 K734 | P717-E719 HydrophobicContact CB-CG 4.46Å; P717-E719 PolarHBondContact O-N 2.83Å; E719-T733 PolarHBondContact O-OG1 2.89Å; E719-K734 VanDerWaalsContact O-CE 3.26Å; E719-K734 WeakPolarHBondContact O-CE 3.23Å; E719-K734 IonicContact OE2-NZ 2.77Å; E719-K734 PolarHBondContact OE2-NZ 2.88Å |
| 720 | L | 88.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -96.5 | -24.2 | -179.8 | -103.4 | 156.1 | 0 | 0 | 0 | 113.9 | I716 P717 N718 T733 K734 L736 | I716-L720 HydrophobicContact CG2-CB 4.31Å; I716-L720 HydrophobicContact CG2-CD1 3.42Å; I716-L720 VanDerWaalsContact CG2-CD1 3.42Å; I716-L720 HydrophobicContact CG2-CG 4.47Å; P717-L720 PolarHBondContact O-N 2.68Å; N718-L720 PolarHBondContact O-N 2.99Å; L720-T733 VanDerWaalsContact CA-OG1 3.29Å; L720-T733 WeakPolarHBondContact CA-OG1 2.98Å; L720-T733 PolarHBondContact O-N 3.45Å; L720-T733 PolarHBondContact O-OG1 2.87Å; L720-T733 VanDerWaalsContact O-OG1 3.04Å; L720-K734 HydrophobicContact CD2-CB 4.05Å; L720-K734 HydrophobicContact CG-CD 4.43Å; L720-L736 HydrophobicContact CD2-CD2 3.61Å |
| 721 | F | 91.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 141.2 | 177 | -69 | -84.1 | 0 | 0 | 0 | 110.8 | V685 L705 V708 I730 F731 A732 L736 Y744 L746 V767 | V685-F721 HydrophobicContact CG2-CD1 4.29Å; V685-F721 HydrophobicContact CG2-CE1 4.07Å; L705-F721 HydrophobicContact CD2-CB 4.15Å; L705-F721 VanDerWaalsContact CD2-O 3.25Å; L705-F721 WeakPolarHBondContact CD2-O 3.45Å; V708-F721 HydrophobicContact CG1-CD2 3.92Å; V708-F721 HydrophobicContact CG1-CE2 4.14Å; V708-F721 HydrophobicContact CG2-CD2 4.18Å; F721-I730 HydrophobicContact CD1-CG2 4.19Å; F721-F731 WeakPolarHBondContact CA-O 3.29Å; F721-A732 HydrophobicContact CD1-CB 4.43Å; F721-A732 HydrophobicContact CE1-CB 4.23Å; F721-L736 HydrophobicContact CE1-CD1 4.19Å; F721-L736 HydrophobicContact CZ-CD1 3.92Å; F721-L736 HydrophobicContact CZ-CD2 4.37Å; F721-Y744 HydrophobicContact CE2-CD1 4.2Å; F721-Y744 AromaticContact CE2-CD2 3.81Å; F721-Y744 HydrophobicContact CE2-CD2 3.81Å; F721-Y744 HydrophobicContact CE2-CE2 4.36Å; F721-Y744 AromaticContact CE2-CG 3.7Å; F721-Y744 HydrophobicContact CE2-CG 3.7Å; F721-Y744 AromaticContact CZ-CD2 3.64Å; F721-Y744 HydrophobicContact CZ-CD2 3.64Å; F721-Y744 HydrophobicContact CZ-CE2 4.21Å; F721-Y744 AromaticContact CZ-CG 3.99Å; F721-Y744 HydrophobicContact CZ-CG 3.99Å; F721-L746 HydrophobicContact CB-CD2 3.69Å; F721-L746 HydrophobicContact CD1-CD2 4.26Å; F721-L746 HydrophobicContact CD2-CD2 4.16Å; F721-L746 HydrophobicContact CG-CD2 3.79Å; F721-V767 HydrophobicContact CE1-CG1 4.17Å; F721-V767 HydrophobicContact CZ-CG1 4.22Å |
| 722 | M | 91.4 | Very high | 87.8 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.4 | 174.3 | -176.9 | -178.4 | 74 | 0 | 0 | 109.4 | F681 I730 F731 T733 | F681-M722 HydrophobicContact CD1-CE 4.23Å; F681-M722 HydrophobicContact CE1-CE 3.83Å; F681-M722 HydrophobicContact CE1-SD 4.16Å; M722-I730 CarbonylContact O-C 3.57Å; M722-I730 WeakPolarHBondContact O-CA 3.14Å; M722-F731 HydrophobicContact CE-CD2 4.25Å; M722-F731 PolarHBondContact N-O 3.18Å; M722-F731 PolarHBondContact O-N 3.38Å; M722-T733 HydrophobicContact CB-CG2 3.65Å |
| 723 | I | 93.1 | Very high | 88.2 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.1 | 167.8 | -169.5 | 162.6 | 0 | 0 | 0 | 109.8 | L688 Y703 L705 K729 I730 I748 | L688-I723 HydrophobicContact CD1-CD1 3.57Å; L688-I723 HydrophobicContact CG-CD1 4.2Å; Y703-I723 HydrophobicContact CD1-CD1 4.26Å; Y703-I723 HydrophobicContact CG-CD1 4.24Å; L705-I723 HydrophobicContact CB-CG2 3.8Å; I723-K729 CarbonylContact C-O 3.59Å; I723-K729 WeakPolarHBondContact CA-O 3.4Å; I723-I730 HydrophobicContact CB-CG1 4.44Å; I723-I730 HydrophobicContact CD1-CD1 4.49Å; I723-I730 HydrophobicContact CD1-CG1 3.96Å; I723-I730 HydrophobicContact CG1-CG1 4.14Å; I723-I748 HydrophobicContact CD1-CD1 4.12Å; I723-I748 HydrophobicContact CD1-CG2 4.06Å |
| 724 | N | 92.4 | Very high | 88.6 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | trans | -78.1 | 128.2 | 169.2 | 170.4 | -93.9 | 0 | 0 | 0 | 110 | D726 T727 G728 K729 | N724-D726 VanDerWaalsContact C-N 3.27Å; N724-D726 PolarHBondContact O-N 2.58Å; N724-D726 PolarHBondContact OD1-N 3.16Å; N724-T727 WeakPolarHBondContact OD1-CB 3.45Å; N724-T727 WeakPolarHBondContact OD1-CG2 3.39Å; N724-T727 PolarHBondContact OD1-N 3.4Å; N724-T727 PolarHBondContact OD1-OG1 2.71Å; N724-G728 PolarHBondContact O-N 3.31Å; N724-G728 VanDerWaalsContact O-N 3.11Å; N724-K729 HydrophobicContact CB-CB 4.48Å; N724-K729 PolarHBondContact N-O 3.21Å | ||
| 725 | S | 93 | Very high | 88.7 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.9 | -173.9 | 165.1 | 0 | 0 | 0 | 0 | 114.1 | H702 Y703 | H702-S725 CarbonylContact C-O 3.58Å; H702-S725 WeakPolarHBondContact CA-O 3.2Å; H702-S725 PolarHBondContact ND1-OG 2.89Å; Y703-S725 WeakPolarHBondContact CD2-O 3.39Å; Y703-S725 PolarHBondContact N-O 2.97Å; Y703-S725 WeakPolarHBondContact O-CA 3.3Å |
| 726 | D | 91.6 | Very high | 89 | Confident | 97 Ų | 97 | 50.9 Ų | 50.9 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -19 | -162.1 | -24.8 | -55.8 | 0 | 0 | 0 | 111.7 | H702 N724 | H702-D726 IonicContact CE1-OD1 2.76Å; H702-D726 PolarHBondContact CE1-OD1 3.43Å; H702-D726 IonicContact ND1-OD1 3.16Å; H702-D726 IonicContact NE2-OD1 2.83Å; N724-D726 VanDerWaalsContact C-N 3.27Å; N724-D726 PolarHBondContact O-N 2.58Å; N724-D726 PolarHBondContact OD1-N 3.16Å |
| 727 | T | 90.8 | Very high | 89.3 | Confident | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7.3 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | Q687 N724 K729 | Q687-T727 VanDerWaalsContact CG-O 3.32Å; Q687-T727 WeakPolarHBondContact CG-O 3.1Å; Q687-T727 PolarHBondContact NE2-O 2.87Å; N724-T727 WeakPolarHBondContact OD1-CB 3.45Å; N724-T727 WeakPolarHBondContact OD1-CG2 3.39Å; N724-T727 PolarHBondContact OD1-N 3.4Å; N724-T727 PolarHBondContact OD1-OG1 2.71Å; T727-K729 PolarHBondContact O-N 3.42Å |
| 728 | G | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 67.7 | 10.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L688 N724 | L688-G728 WeakPolarHBondContact CB-O 3.14Å; L688-G728 WeakPolarHBondContact CG-O 3.12Å; L688-G728 PolarHBondContact N-O 2.71Å; N724-G728 PolarHBondContact O-N 3.31Å; N724-G728 VanDerWaalsContact O-N 3.11Å | ||
| 729 | K | 92.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.6 | -178.8 | -74 | -179.2 | 178 | 179.1 | 0 | 111.9 | L684 Q687 I723 N724 T727 F731 | L684-K729 HydrophobicContact CD1-CB 3.8Å; L684-K729 HydrophobicContact CD1-CD 4.3Å; L684-K729 HydrophobicContact CD1-CG 4.04Å; Q687-K729 HydrophobicContact CB-CG 4.01Å; Q687-K729 VanDerWaalsContact CD-CE 3.47Å; Q687-K729 HydrophobicContact CG-CG 3.66Å; I723-K729 CarbonylContact C-O 3.59Å; I723-K729 WeakPolarHBondContact CA-O 3.4Å; N724-K729 HydrophobicContact CB-CB 4.48Å; N724-K729 PolarHBondContact N-O 3.21Å; T727-K729 PolarHBondContact O-N 3.42Å; K729-F731 HydrophobicContact CB-CE2 3.74Å; K729-F731 HydrophobicContact CB-CZ 4.23Å |
| 730 | I | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.4 | -179.8 | -56.4 | 175.3 | 0 | 0 | 0 | 109.8 | L684 V685 G686 L688 F721 M722 I723 L746 I748 V765 | L684-I730 WeakPolarHBondContact CD1-O 3.31Å; V685-I730 HydrophobicContact CB-CB 4.27Å; V685-I730 HydrophobicContact CB-CG2 4.01Å; V685-I730 WeakPolarHBondContact CB-O 3.38Å; V685-I730 HydrophobicContact CG1-CG2 4.28Å; V685-I730 HydrophobicContact CG2-CG2 4.34Å; V685-I730 PolarHBondContact N-O 3.03Å; G686-I730 PolarHBondContact O-N 3.34Å; L688-I730 HydrophobicContact CD1-CD1 4.27Å; L688-I730 HydrophobicContact CD2-CD1 3.91Å; L688-I730 HydrophobicContact CG-CD1 3.97Å; L688-I730 HydrophobicContact CG-CG1 4.41Å; F721-I730 HydrophobicContact CD1-CG2 4.19Å; M722-I730 CarbonylContact O-C 3.57Å; M722-I730 WeakPolarHBondContact O-CA 3.14Å; I723-I730 HydrophobicContact CB-CG1 4.44Å; I723-I730 HydrophobicContact CD1-CD1 4.49Å; I723-I730 HydrophobicContact CD1-CG1 3.96Å; I723-I730 HydrophobicContact CG1-CG1 4.14Å; I730-L746 HydrophobicContact CG2-CD2 4.33Å; I730-I748 HydrophobicContact CD1-CD1 4Å; I730-V765 HydrophobicContact CD1-CG1 4.2Å |
| 731 | F | 92.1 | Very high | 91 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 23% | 0.228 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141 | 176.8 | -62.2 | -88.8 | 0 | 0 | 0 | 110.6 | L684 F721 M722 K729 | L684-F731 HydrophobicContact CB-CE1 4.31Å; L684-F731 HydrophobicContact CD1-CD1 4.15Å; L684-F731 HydrophobicContact CD1-CE1 3.66Å; L684-F731 HydrophobicContact CD1-CE2 4.06Å; L684-F731 HydrophobicContact CD1-CZ 3.62Å; F721-F731 WeakPolarHBondContact CA-O 3.29Å; M722-F731 HydrophobicContact CE-CD2 4.25Å; M722-F731 PolarHBondContact N-O 3.18Å; M722-F731 PolarHBondContact O-N 3.38Å; K729-F731 HydrophobicContact CB-CE2 3.74Å; K729-F731 HydrophobicContact CB-CZ 4.23Å |
| 732 | A | 91.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | I674 F681 V685 F721 L736 | I674-A732 HydrophobicContact CD1-CB 4.12Å; F681-A732 PolarHBondContact N-O 2.93Å; V685-A732 HydrophobicContact CG2-CB 4.07Å; F721-A732 HydrophobicContact CD1-CB 4.43Å; F721-A732 HydrophobicContact CE1-CB 4.23Å; A732-L736 HydrophobicContact CB-CD1 4.04Å; A732-L736 HydrophobicContact CB-CG 4.24Å |
| 733 | T | 89 | Confident | 91 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -91.4 | -16.6 | -174.8 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | F681 E719 L720 M722 | F681-T733 HydrophobicContact CE1-CG2 3.75Å; F681-T733 HydrophobicContact CE2-CG2 4.33Å; F681-T733 WeakPolarHBondContact CE2-O 3.47Å; F681-T733 HydrophobicContact CZ-CG2 3.59Å; E719-T733 PolarHBondContact O-OG1 2.89Å; L720-T733 VanDerWaalsContact CA-OG1 3.29Å; L720-T733 WeakPolarHBondContact CA-OG1 2.98Å; L720-T733 PolarHBondContact O-N 3.45Å; L720-T733 PolarHBondContact O-OG1 2.87Å; L720-T733 VanDerWaalsContact O-OG1 3.04Å; M722-T733 HydrophobicContact CB-CG2 3.65Å |
| 734 | K | 87.1 | Confident | 91.1 | Very high | 94 Ų | 94 | 49.3 Ų | 49.3 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -134.7 | 162.4 | -178.5 | -61.6 | 175.7 | -173.8 | 174.1 | 0 | 108.3 | E719 L720 | E719-K734 VanDerWaalsContact O-CE 3.26Å; E719-K734 WeakPolarHBondContact O-CE 3.23Å; E719-K734 IonicContact OE2-NZ 2.77Å; E719-K734 PolarHBondContact OE2-NZ 2.88Å; L720-K734 HydrophobicContact CD2-CB 4.05Å; L720-K734 HydrophobicContact CG-CD 4.43Å |
| 735 | K | 88.7 | Confident | 91.1 | Very high | 116 Ų | 116 | 49.7 Ų | 49.7 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | trans | -56.7 | 136 | 172.2 | -170.7 | -160 | 173.7 | -153.7 | 0 | 109.5 | N677 R678 | N677-K735 WeakPolarHBondContact OD1-CE 3.23Å; N677-K735 PolarHBondContact OD1-NZ 3.28Å; R678-K735 WeakPolarHBondContact O-CA 3.18Å | ||
| 736 | L | 90.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -102.4 | 156.6 | 171.1 | -58.4 | -178.7 | 0 | 0 | 0 | 110.5 | I674 N677 L720 F721 A732 Y744 V769 | I674-L736 HydrophobicContact CG2-CD1 3.81Å; N677-L736 PolarHBondContact N-O 2.86Å; L720-L736 HydrophobicContact CD2-CD2 3.61Å; F721-L736 HydrophobicContact CE1-CD1 4.19Å; F721-L736 HydrophobicContact CZ-CD1 3.92Å; F721-L736 HydrophobicContact CZ-CD2 4.37Å; A732-L736 HydrophobicContact CB-CD1 4.04Å; A732-L736 HydrophobicContact CB-CG 4.24Å; L736-Y744 HydrophobicContact CD1-CE2 4.23Å; L736-Y744 HydrophobicContact CD2-CE2 4Å; L736-V769 HydrophobicContact CD1-CG2 4.4Å | ||
| 737 | D | 90.9 | Very high | 91.2 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | trans | -144.9 | 123.4 | -169.8 | 173.3 | -52.8 | 0 | 0 | 0 | 106 | E739 E740 N741 | D737-E739 PolarHBondContact OD1-N 2.97Å; D737-E740 WeakPolarHBondContact OD1-CB 3.36Å; D737-E740 PolarHBondContact OD1-N 3.49Å; D737-N741 PolarHBondContact O-N 3.24Å | ||
| 738 | R | 91.9 | Very high | 91.4 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.4 | -35.8 | -170.6 | -170.4 | -145.8 | 66.7 | 123.1 | -9 | 111.5 | E676 E740 N741 S742 V769 D771 A834 D835 D836 | E676-R738 WeakPolarHBondContact OE1-CB 3.48Å; E676-R738 VanDerWaalsContact OE2-CB 3.22Å; E676-R738 WeakPolarHBondContact OE2-CB 3.21Å; E676-R738 PolarHBondContact OE2-N 3.37Å; R738-E740 VanDerWaalsContact C-N 3.29Å; R738-E740 PolarHBondContact O-N 3.38Å; R738-N741 CarbonylContact O-C 3.51Å; R738-N741 PolarHBondContact O-N 3.47Å; R738-S742 PolarHBondContact O-N 2.98Å; R738-V769 HydrophobicContact CB-CB 4.39Å; R738-V769 HydrophobicContact CB-CG1 3.81Å; R738-V769 HydrophobicContact CG-CB 4.27Å; R738-V769 HydrophobicContact CG-CG1 4.15Å; R738-D771 VanDerWaalsContact CD-OD1 3.25Å; R738-D771 WeakPolarHBondContact CD-OD1 3.05Å; R738-D771 IonicContact CZ-OD1 3.89Å; R738-D771 IonicContact NE-OD1 3.42Å; R738-D771 PolarHBondContact NE-OD1 3.44Å; R738-D771 IonicContact NH1-OD1 2.69Å; R738-D771 IonicContact NH2-OD1 2.73Å; R738-D771 PolarHBondContact NH2-OD1 3.48Å; R738-A834 PolarHBondContact NH2-O 2.7Å; R738-D835 VanDerWaalsContact NH2-C 3.31Å; R738-D835 PolarHBondContact NH2-O 3.29Å; R738-D836 VanDerWaalsContact NH1-CB 3.33Å; R738-D836 IonicContact NH1-OD2 2.64Å; R738-D836 PolarHBondContact NH1-OD2 2.98Å |
| 739 | E | 90.5 | Very high | 91.5 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 178.3 | -71.7 | 54.5 | -114.8 | 0 | 0 | 110.7 | D737 A834 | D737-E739 PolarHBondContact OD1-N 2.97Å; E739-A834 HydrophobicContact CG-CB 4.19Å |
| 740 | E | 88.6 | Confident | 91.6 | Very high | 117 Ų | 117 | 40.8 Ų | 40.8 | 55% | 0.547 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.7 | -58.8 | 168.5 | -153.8 | -159 | 150.9 | 0 | 0 | 110.5 | K712 D737 R738 | K712-E740 PolarHBondContact NZ-O 2.87Å; D737-E740 WeakPolarHBondContact OD1-CB 3.36Å; D737-E740 PolarHBondContact OD1-N 3.49Å; R738-E740 VanDerWaalsContact C-N 3.29Å; R738-E740 PolarHBondContact O-N 3.38Å |
| 741 | N | 90.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -149.3 | 95.1 | -174.6 | -55.9 | -70.8 | 0 | 0 | 0 | 114 | D710 K712 D737 R738 Q743 Y744 V769 | D710-N741 HydrophobicContact CB-CB 4.41Å; D710-N741 WeakPolarHBondContact CB-OD1 3.45Å; K712-N741 PolarHBondContact NZ-OD1 3.37Å; D737-N741 PolarHBondContact O-N 3.24Å; R738-N741 CarbonylContact O-C 3.51Å; R738-N741 PolarHBondContact O-N 3.47Å; N741-Q743 PolarHBondContact O-N 3.01Å; N741-Q743 VanDerWaalsContact O-N 3.1Å; N741-Y744 HydrophobicContact CB-CE1 3.81Å; N741-V769 WeakPolarHBondContact O-CG2 3.14Å |
| 742 | S | 91 | Very high | 91.8 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -62.3 | -12.6 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 116.9 | N711 R738 V769 | N711-S742 PolarHBondContact ND2-OG 3.5Å; N711-S742 VanDerWaalsContact ND2-OG 3.12Å; R738-S742 PolarHBondContact O-N 2.98Å; S742-V769 PolarHBondContact O-N 3.24Å |
| 743 | Q | 93.5 | Very high | 91.8 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 143.6 | 179.1 | -177.8 | -179.9 | 91.2 | 0 | 0 | 111.7 | N711 N741 I766 V767 N768 | N711-Q743 HydrophobicContact CB-CB 4.23Å; N711-Q743 PolarHBondContact N-O 3.33Å; N711-Q743 VanDerWaalsContact N-O 3.12Å; N741-Q743 PolarHBondContact O-N 3.01Å; N741-Q743 VanDerWaalsContact O-N 3.1Å; Q743-I766 HydrophobicContact CG-CG2 3.69Å; Q743-V767 WeakPolarHBondContact CA-O 3.36Å; Q743-N768 PolarHBondContact NE2-OD1 2.97Å |
| 744 | Y | 93.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.2 | 173.4 | -59.4 | -76.6 | 0 | 0 | 0 | 111.1 | V708 S709 I716 F721 L736 N741 V767 V769 | V708-Y744 HydrophobicContact CG1-CD1 4.34Å; S709-Y744 VanDerWaalsContact O-CA 3.29Å; S709-Y744 WeakPolarHBondContact O-CA 3.41Å; I716-Y744 HydrophobicContact CD1-CD1 3.4Å; I716-Y744 VanDerWaalsContact CD1-CD1 3.4Å; I716-Y744 HydrophobicContact CD1-CE1 3.4Å; I716-Y744 VanDerWaalsContact CD1-CE1 3.4Å; F721-Y744 HydrophobicContact CE2-CD1 4.2Å; F721-Y744 AromaticContact CE2-CD2 3.81Å; F721-Y744 HydrophobicContact CE2-CD2 3.81Å; F721-Y744 HydrophobicContact CE2-CE2 4.36Å; F721-Y744 AromaticContact CE2-CG 3.7Å; F721-Y744 HydrophobicContact CE2-CG 3.7Å; F721-Y744 AromaticContact CZ-CD2 3.64Å; F721-Y744 HydrophobicContact CZ-CD2 3.64Å; F721-Y744 HydrophobicContact CZ-CE2 4.21Å; F721-Y744 AromaticContact CZ-CG 3.99Å; F721-Y744 HydrophobicContact CZ-CG 3.99Å; L736-Y744 HydrophobicContact CD1-CE2 4.23Å; L736-Y744 HydrophobicContact CD2-CE2 4Å; N741-Y744 HydrophobicContact CB-CE1 3.81Å; Y744-V767 PolarHBondContact N-O 3.36Å; Y744-V767 PolarHBondContact O-N 2.96Å; Y744-V769 HydrophobicContact CD2-CG2 3.99Å; Y744-V769 HydrophobicContact CE2-CG2 3.64Å |
| 745 | E | 93.7 | Very high | 91.5 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.5 | 168.4 | -174.3 | -177.3 | -153 | 0 | 0 | 109.6 | V708 S709 I747 S764 | V708-E745 CarbonylContact C-O 3.53Å; V708-E745 VanDerWaalsContact CA-O 3.27Å; V708-E745 WeakPolarHBondContact CA-O 3.45Å; S709-E745 PolarHBondContact N-O 2.88Å; S709-E745 PolarHBondContact O-N 3.45Å; E745-I747 HydrophobicContact CG-CD1 4.17Å; E745-S764 WeakPolarHBondContact CG-OG 3.31Å; E745-S764 WeakPolarHBondContact OE1-CB 3.37Å; E745-S764 PolarHBondContact OE1-OG 3.06Å |
| 746 | L | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.4 | 176.9 | -60.9 | 91.8 | 0 | 0 | 0 | 109.6 | L705 V708 F721 I730 I748 V765 V767 | L705-L746 HydrophobicContact CD1-CB 3.87Å; L705-L746 HydrophobicContact CD1-CD2 3.89Å; L705-L746 HydrophobicContact CD1-CG 4.3Å; L705-L746 HydrophobicContact CD2-CD2 4.4Å; V708-L746 HydrophobicContact CG1-CG 4.45Å; V708-L746 HydrophobicContact CG2-CD2 4.32Å; V708-L746 HydrophobicContact CG2-CG 4.25Å; F721-L746 HydrophobicContact CB-CD2 3.69Å; F721-L746 HydrophobicContact CD1-CD2 4.26Å; F721-L746 HydrophobicContact CD2-CD2 4.16Å; F721-L746 HydrophobicContact CG-CD2 3.79Å; I730-L746 HydrophobicContact CG2-CD2 4.33Å; L746-I748 HydrophobicContact CB-CD1 4.06Å; L746-I748 HydrophobicContact CB-CG1 4.19Å; L746-V765 PolarHBondContact N-O 3.31Å; L746-V765 PolarHBondContact O-N 2.84Å; L746-V767 HydrophobicContact CD1-CB 4.06Å; L746-V767 HydrophobicContact CD1-CG2 3.44Å; L746-V767 VanDerWaalsContact CD1-CG2 3.44Å |
| 747 | I | 93.3 | Very high | 90.8 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 23% | 0.226 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.5 | 173 | -52.1 | -56.3 | 0 | 0 | 0 | 108.7 | I706 S707 E745 A763 | I706-I747 HydrophobicContact CB-CG2 4.42Å; I706-I747 WeakPolarHBondContact CB-O 3.37Å; I706-I747 HydrophobicContact CD1-CG2 4.07Å; I706-I747 PolarHBondContact N-O 3.05Å; S707-I747 PolarHBondContact N-O 3.43Å; S707-I747 PolarHBondContact O-N 3Å; E745-I747 HydrophobicContact CG-CD1 4.17Å; I747-A763 WeakPolarHBondContact CA-O 3.37Å |
| 748 | I | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126 | -167.1 | -59.6 | 176.4 | 0 | 0 | 0 | 109.2 | L688 L705 I723 I730 L746 T762 A763 V765 | L688-I748 HydrophobicContact CD1-CD1 3.73Å; L688-I748 HydrophobicContact CD1-CG2 4.07Å; L705-I748 HydrophobicContact CD1-CG1 3.94Å; I723-I748 HydrophobicContact CD1-CD1 4.12Å; I723-I748 HydrophobicContact CD1-CG2 4.06Å; I730-I748 HydrophobicContact CD1-CD1 4Å; L746-I748 HydrophobicContact CB-CD1 4.06Å; L746-I748 HydrophobicContact CB-CG1 4.19Å; I748-T762 CarbonylContact O-C 3.57Å; I748-T762 WeakPolarHBondContact O-CA 3.34Å; I748-A763 PolarHBondContact N-O 3.26Å; I748-A763 PolarHBondContact O-N 2.93Å; I748-V765 HydrophobicContact CD1-CB 4.2Å; I748-V765 HydrophobicContact CD1-CG2 4.06Å |
| 749 | L | 94.2 | Very high | 90.8 | Very high | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.199 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.3 | 170.7 | -172 | 74.6 | 0 | 0 | 0 | 109.2 | Y703 K704 I706 S761 T762 | Y703-L749 CarbonylContact C-O 3.59Å; Y703-L749 WeakPolarHBondContact CA-O 3.38Å; K704-L749 HydrophobicContact CB-CB 4.24Å; K704-L749 HydrophobicContact CD-CD2 4.3Å; K704-L749 PolarHBondContact N-O 3.28Å; K704-L749 PolarHBondContact O-N 3.27Å; I706-L749 HydrophobicContact CD1-CB 3.85Å; I706-L749 HydrophobicContact CG1-CB 4.08Å; L749-S761 WeakPolarHBondContact CA-O 3.48Å; L749-T762 HydrophobicContact CD1-CG2 3.96Å |
| 750 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.3 | 162.7 | -57.2 | 91 | 0 | 0 | 0 | 107.1 | P664 L666 V701 H702 Y703 S760 S761 A763 | P664-L750 HydrophobicContact CB-CB 3.72Å; P664-L750 HydrophobicContact CB-CD2 4.45Å; L666-L750 HydrophobicContact CB-CD1 4.41Å; L666-L750 HydrophobicContact CB-CD2 4.12Å; L666-L750 HydrophobicContact CD1-CD2 3.97Å; V701-L750 HydrophobicContact CG1-CB 3.96Å; V701-L750 HydrophobicContact CG1-CD2 4.21Å; H702-L750 WeakPolarHBondContact O-CA 3.3Å; Y703-L750 HydrophobicContact CD1-CD2 4.25Å; Y703-L750 HydrophobicContact CD1-CG 4.23Å; Y703-L750 HydrophobicContact CE1-CD2 3.87Å; Y703-L750 HydrophobicContact CE1-CG 4.36Å; L750-S760 CarbonylContact O-C 3.18Å; L750-S760 WeakPolarHBondContact O-CA 3.39Å; L750-S760 WeakPolarHBondContact O-CB 3.45Å; L750-S761 PolarHBondContact N-O 3.04Å; L750-S761 PolarHBondContact O-N 2.91Å; L750-A763 HydrophobicContact CD1-CB 3.9Å |
| 751 | H | 93.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 146.2 | 178.9 | 60.8 | -49.3 | 0 | 0 | 0 | 110.3 | V701 H702 R759 | V701-H751 CarbonylContact C-O 3.53Å; V701-H751 WeakPolarHBondContact CA-O 3.44Å; H702-H751 WeakPolarHBondContact CB-CE1 3.42Å; H702-H751 PolarHBondContact N-O 3.11Å; H702-H751 PolarHBondContact O-CE1 3.3Å; H702-H751 PolarHBondContact O-N 3.5Å; H702-H751 PolarHBondContact O-ND1 3.19Å; H751-R759 WeakPolarHBondContact CA-O 3.48Å |
| 752 | D | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -80.4 | -179.5 | 175.8 | 64.4 | 54.6 | 0 | 0 | 0 | 113 | N660 P664 N698 T700 G754 Q758 R759 | N660-D752 PolarHBondContact ND2-OD1 3.15Å; N660-D752 PolarHBondContact ND2-OD2 3.28Å; P664-D752 HydrophobicContact CG-CB 4.42Å; N698-D752 WeakPolarHBondContact O-CB 3.45Å; T700-D752 CarbonylContact O-C 3.54Å; T700-D752 WeakPolarHBondContact O-CA 3.34Å; D752-G754 WeakPolarHBondContact OD1-CA 3.33Å; D752-G754 PolarHBondContact OD1-N 2.87Å; D752-Q758 WeakPolarHBondContact OD1-CA 3.44Å; D752-Q758 WeakPolarHBondContact OD1-CB 3.39Å; D752-Q758 WeakPolarHBondContact OD1-CG 3.48Å; D752-R759 PolarHBondContact N-O 3Å; D752-R759 PolarHBondContact OD1-N 2.84Å; D752-R759 VanDerWaalsContact OD2-CA 3.31Å; D752-R759 WeakPolarHBondContact OD2-CA 3.47Å; D752-R759 WeakPolarHBondContact OD2-CB 3.44Å; D752-R759 PolarHBondContact OD2-N 2.77Å | ||
| 753 | L | 92 | Very high | 91.4 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | trans | -107.3 | 20.5 | 171.2 | -61 | -174.8 | 0 | 0 | 0 | 112.9 | N697 T700 | N697-L753 HydrophobicContact CB-CB 4.3Å; N697-L753 CarbonylContact O-C 3.55Å; N697-L753 WeakPolarHBondContact O-CA 3.36Å; N697-L753 PolarHBondContact O-N 3.41Å; N697-L753 VanDerWaalsContact O-N 3.11Å; T700-L753 HydrophobicContact CG2-CD1 3.6Å; T700-L753 HydrophobicContact CG2-CG 4.08Å; T700-L753 PolarHBondContact O-N 2.91Å | ||
| 754 | G | 86.2 | Confident | 91.4 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -64.7 | 154.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N697 N698 D752 I757 Q758 | N697-G754 PolarHBondContact O-N 2.88Å; N698-G754 WeakPolarHBondContact OD1-CA 3.46Å; D752-G754 WeakPolarHBondContact OD1-CA 3.33Å; D752-G754 PolarHBondContact OD1-N 2.87Å; G754-I757 CarbonylContact C-O 3.58Å; G754-Q758 WeakPolarHBondContact O-CG 3.36Å | ||
| 755 | T | 82 | Confident | 91.4 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -142 | 135.1 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 756 | P | 81.6 | Confident | 91.5 | Very high | 136 Ų | 136 | 50 Ų | 50 | 88% | 0.883 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -86.2 | -6.4 | 8.1 | 34.7 | -36.8 | 0 | 0 | 0 | 115.2 | ||
| 757 | I | 84.5 | Confident | 91.4 | Very high | 116 Ų | 116 | 50 Ų | 50 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | trans | -113.8 | 135.4 | 179.1 | -62.8 | 172.7 | 0 | 0 | 0 | 108.3 | N660 G754 R759 | N660-I757 PolarHBondContact ND2-O 2.81Å; G754-I757 CarbonylContact C-O 3.58Å; I757-R759 HydrophobicContact CG2-CG 4.41Å | ||
| 758 | Q | 90.8 | Very high | 91.5 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | trans | -103.4 | 142 | 166.5 | -66.5 | -179.1 | -20.9 | 0 | 0 | 109.6 | D752 G754 | D752-Q758 WeakPolarHBondContact OD1-CA 3.44Å; D752-Q758 WeakPolarHBondContact OD1-CB 3.39Å; D752-Q758 WeakPolarHBondContact OD1-CG 3.48Å; G754-Q758 WeakPolarHBondContact O-CG 3.36Å | ||
| 759 | R | 92.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 50 Ų | 50 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | trans | -113.9 | 157.8 | 176.1 | -57.7 | 175.6 | 100.5 | -130.2 | 27.6 | 108.5 | N660 D661 N662 S663 H751 D752 I757 | N660-R759 WeakPolarHBondContact OD1-CD 3.5Å; N660-R759 WeakPolarHBondContact OD1-CG 3.32Å; D661-R759 VanDerWaalsContact C-CZ 3.49Å; D661-R759 PolarHBondContact O-NH1 3.41Å; D661-R759 PolarHBondContact O-NH2 2.66Å; N662-R759 WeakPolarHBondContact O-CD 3.49Å; N662-R759 PolarHBondContact O-NH1 3.21Å; S663-R759 PolarHBondContact OG-NH1 2.97Å; H751-R759 WeakPolarHBondContact CA-O 3.48Å; D752-R759 PolarHBondContact N-O 3Å; D752-R759 PolarHBondContact OD1-N 2.84Å; D752-R759 VanDerWaalsContact OD2-CA 3.31Å; D752-R759 WeakPolarHBondContact OD2-CA 3.47Å; D752-R759 WeakPolarHBondContact OD2-CB 3.44Å; D752-R759 PolarHBondContact OD2-N 2.77Å; I757-R759 HydrophobicContact CG2-CG 4.41Å | ||
| 760 | S | 93.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 153.1 | -168.1 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | L750 | L750-S760 CarbonylContact O-C 3.18Å; L750-S760 WeakPolarHBondContact O-CA 3.39Å; L750-S760 WeakPolarHBondContact O-CB 3.45Å |
| 761 | S | 93.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167 | 176.3 | 86.4 | 0 | 0 | 0 | 0 | 111.3 | P664 L749 L750 | P664-S761 VanDerWaalsContact O-CB 3.31Å; P664-S761 WeakPolarHBondContact O-CB 3.37Å; P664-S761 PolarHBondContact O-OG 2.89Å; L749-S761 WeakPolarHBondContact CA-O 3.48Å; L750-S761 PolarHBondContact N-O 3.04Å; L750-S761 PolarHBondContact O-N 2.91Å |
| 762 | T | 93.8 | Very high | 90.9 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 60% | 0.595 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.1 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | I706 I748 L749 | I706-T762 HydrophobicContact CD1-CG2 3.81Å; I748-T762 CarbonylContact O-C 3.57Å; I748-T762 WeakPolarHBondContact O-CA 3.34Å; L749-T762 HydrophobicContact CD1-CG2 3.96Å |
| 763 | A | 91.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L666 I747 I748 L750 | L666-A763 HydrophobicContact CB-CB 4.02Å; L666-A763 HydrophobicContact CD2-CB 4.16Å; I747-A763 WeakPolarHBondContact CA-O 3.37Å; I748-A763 PolarHBondContact N-O 3.26Å; I748-A763 PolarHBondContact O-N 2.93Å; L750-A763 HydrophobicContact CD1-CB 3.9Å |
| 764 | S | 93.2 | Very high | 90.6 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.7 | 161.7 | 168.8 | 0 | 0 | 0 | 0 | 109.3 | E745 | E745-S764 WeakPolarHBondContact CG-OG 3.31Å; E745-S764 WeakPolarHBondContact OE1-CB 3.37Å; E745-S764 PolarHBondContact OE1-OG 3.06Å |
| 765 | V | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.9 | 178 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | L666 K670 F672 L688 I730 L746 I748 | L666-V765 HydrophobicContact CD2-CG2 4.07Å; K670-V765 WeakPolarHBondContact O-CA 3.24Å; F672-V765 HydrophobicContact CD2-CG1 3.64Å; F672-V765 HydrophobicContact CE2-CG1 3.7Å; L688-V765 HydrophobicContact CD1-CG2 4.44Å; L688-V765 HydrophobicContact CD2-CG1 4.26Å; L688-V765 HydrophobicContact CD2-CG2 3.92Å; I730-V765 HydrophobicContact CD1-CG1 4.2Å; L746-V765 PolarHBondContact N-O 3.31Å; L746-V765 PolarHBondContact O-N 2.84Å; I748-V765 HydrophobicContact CD1-CB 4.2Å; I748-V765 HydrophobicContact CD1-CG2 4.06Å |
| 766 | I | 94 | Very high | 91.2 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.8 | -176.1 | -61.4 | 174.7 | 0 | 0 | 0 | 109.7 | K670 T671 F672 Q743 | K670-I766 PolarHBondContact O-N 3.08Å; T671-I766 CarbonylContact C-O 3.54Å; T671-I766 WeakPolarHBondContact CA-O 3.38Å; T671-I766 HydrophobicContact CG2-CB 4.34Å; T671-I766 HydrophobicContact CG2-CG2 4.39Å; F672-I766 PolarHBondContact N-O 2.96Å; Q743-I766 HydrophobicContact CG-CG2 3.69Å |
| 767 | V | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.6 | 173 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | F672 I674 V685 F721 Q743 Y744 L746 | F672-V767 HydrophobicContact CB-CG2 4.37Å; I674-V767 HydrophobicContact CG2-CG1 3.76Å; V685-V767 HydrophobicContact CG1-CB 4.23Å; V685-V767 HydrophobicContact CG1-CG1 3.6Å; V685-V767 HydrophobicContact CG1-CG2 3.52Å; F721-V767 HydrophobicContact CE1-CG1 4.17Å; F721-V767 HydrophobicContact CZ-CG1 4.22Å; Q743-V767 WeakPolarHBondContact CA-O 3.36Å; Y744-V767 PolarHBondContact N-O 3.36Å; Y744-V767 PolarHBondContact O-N 2.96Å; L746-V767 HydrophobicContact CD1-CB 4.06Å; L746-V767 HydrophobicContact CD1-CG2 3.44Å; L746-V767 VanDerWaalsContact CD1-CG2 3.44Å |
| 768 | N | 93.4 | Very high | 92 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.1 | 173.3 | -48.2 | -84.2 | 0 | 0 | 0 | 109.1 | T671 F672 Q673 I674 Q743 | T671-N768 VanDerWaalsContact CG2-ND2 3.26Å; T671-N768 WeakPolarHBondContact CG2-ND2 3.4Å; F672-N768 PolarHBondContact O-N 2.58Å; F672-N768 PolarHBondContact O-ND2 3.16Å; Q673-N768 WeakPolarHBondContact CA-O 3.35Å; Q673-N768 HydrophobicContact CG-CB 4.36Å; I674-N768 PolarHBondContact N-O 2.9Å; Q743-N768 PolarHBondContact NE2-OD1 2.97Å |
| 769 | V | 92.5 | Very high | 92 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.8 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | I674 E676 L736 R738 N741 S742 Y744 | I674-V769 CarbonylContact O-C 3.48Å; I674-V769 WeakPolarHBondContact O-CA 3.47Å; E676-V769 HydrophobicContact CB-CG1 3.53Å; L736-V769 HydrophobicContact CD1-CG2 4.4Å; R738-V769 HydrophobicContact CB-CB 4.39Å; R738-V769 HydrophobicContact CB-CG1 3.81Å; R738-V769 HydrophobicContact CG-CB 4.27Å; R738-V769 HydrophobicContact CG-CG1 4.15Å; N741-V769 WeakPolarHBondContact O-CG2 3.14Å; S742-V769 PolarHBondContact O-N 3.24Å; Y744-V769 HydrophobicContact CD2-CG2 3.99Å; Y744-V769 HydrophobicContact CE2-CG2 3.64Å |
| 770 | L | 91.4 | Very high | 91.7 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.6 | 177.6 | -55.2 | -180 | 0 | 0 | 0 | 111.3 | Q673 I674 V675 E676 | Q673-L770 HydrophobicContact CB-CD1 4.02Å; Q673-L770 HydrophobicContact CB-CD2 4.42Å; Q673-L770 HydrophobicContact CB-CG 4.2Å; Q673-L770 HydrophobicContact CG-CD2 4.32Å; I674-L770 PolarHBondContact O-N 2.94Å; V675-L770 HydrophobicContact CG2-CB 4.41Å; V675-L770 HydrophobicContact CG2-CD1 4.35Å; E676-L770 PolarHBondContact N-O 2.64Å |
| 771 | D | 90.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 128.2 | -175.1 | -158.9 | 80 | 0 | 0 | 0 | 113.8 | E676 R738 D836 N839 | E676-D771 VanDerWaalsContact OE1-CA 3.24Å; E676-D771 WeakPolarHBondContact OE1-CA 3.47Å; R738-D771 VanDerWaalsContact CD-OD1 3.25Å; R738-D771 WeakPolarHBondContact CD-OD1 3.05Å; R738-D771 IonicContact CZ-OD1 3.89Å; R738-D771 IonicContact NE-OD1 3.42Å; R738-D771 PolarHBondContact NE-OD1 3.44Å; R738-D771 IonicContact NH1-OD1 2.69Å; R738-D771 IonicContact NH2-OD1 2.73Å; R738-D771 PolarHBondContact NH2-OD1 3.48Å; D771-D836 HydrophobicContact CB-CB 4.2Å; D771-D836 VanDerWaalsContact CG-N 3.31Å; D771-D836 WeakPolarHBondContact OD1-CB 3.39Å; D771-D836 PolarHBondContact OD1-N 3.42Å; D771-D836 PolarHBondContact OD2-N 2.84Å; D771-D836 VanDerWaalsContact OD2-N 3.09Å; D771-N839 WeakPolarHBondContact OD2-CB 3.09Å; D771-N839 PolarHBondContact OD2-ND2 3.46Å |
| 772 | E | 89.4 | Confident | 89.8 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | trans | -118.4 | 140.4 | 162.5 | -81.6 | -174.2 | -177.4 | 0 | 0 | 110 | V675 E676 R678 D774 | V675-E772 HydrophobicContact CG1-CG 3.5Å; V675-E772 WeakPolarHBondContact CG1-OE1 3.48Å; E676-E772 HydrophobicContact CG-CB 4.25Å; E676-E772 PolarHBondContact OE1-N 2.68Å; R678-E772 IonicContact CZ-OE1 3.67Å; R678-E772 IonicContact NE-OE1 3.43Å; R678-E772 IonicContact NH2-OE1 3.39Å; R678-E772 PolarHBondContact NH2-OE1 2.94Å; E772-D774 PolarHBondContact O-N 2.98Å | ||
| 773 | N | 90.5 | Very high | 88.1 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | trans | -73.8 | 86.9 | -171.1 | -163 | 106.7 | 0 | 0 | 0 | 112.6 | D835 N839 D919 G921 P923 L925 | N773-D835 VanDerWaalsContact CA-OD2 3.23Å; N773-D835 WeakPolarHBondContact CA-OD2 3.32Å; N773-N839 HydrophobicContact CB-CB 4.05Å; N773-N839 PolarHBondContact N-ND2 2.64Å; N773-N839 WeakPolarHBondContact OD1-CA 3.43Å; N773-N839 WeakPolarHBondContact OD1-CB 3.36Å; N773-N839 PolarHBondContact OD1-OD1 3.17Å; N773-D919 PolarHBondContact ND2-OD2 3.44Å; N773-G921 WeakPolarHBondContact OD1-CA 3.49Å; N773-P923 PolarHBondContact ND2-O 3.19Å; N773-L925 VanDerWaalsContact ND2-CD1 3.34Å; N773-L925 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 774 | D | 90.2 | Very high | 86.1 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | trans | -119.3 | -10.7 | -175.8 | 97.6 | -0.6 | 0 | 0 | 0 | 115.9 | N677 E772 D835 | N677-D774 PolarHBondContact ND2-OD2 3.31Å; N677-D774 PolarHBondContact OD1-OD2 3Å; E772-D774 PolarHBondContact O-N 2.98Å; D774-D835 PolarHBondContact N-OD2 3.07Å | ||
| 775 | N | 90.7 | Very high | 83.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 147 | 173.9 | -65.9 | -84.4 | 0 | 0 | 0 | 112.8 | D833 A834 D835 L925 | N775-D833 WeakPolarHBondContact CB-OD1 3.42Å; N775-A834 HydrophobicContact CB-CB 3.91Å; N775-D835 VanDerWaalsContact CB-OD1 3.23Å; N775-D835 WeakPolarHBondContact CB-OD1 3.43Å; N775-D835 PolarHBondContact N-OD1 2.83Å; N775-D835 PolarHBondContact N-OD2 3.42Å; N775-D835 PolarHBondContact ND2-OD1 3.43Å; N775-L925 WeakPolarHBondContact O-CD1 3.47Å |
| 776 | I | 90.3 | Very high | 80.4 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 132.1 | -175.5 | -57.8 | 173.1 | 0 | 0 | 0 | 109.9 | Q778 L925 | I776-Q778 WeakPolarHBondContact O-CG 3.42Å; I776-Q778 PolarHBondContact O-N 3.03Å; I776-L925 HydrophobicContact CG1-CB 4.23Å; I776-L925 HydrophobicContact CG1-CD1 4.01Å; I776-L925 HydrophobicContact CG2-CB 4.49Å |
| 777 | P | 92.8 | Very high | 77.5 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 122.8 | 178 | -30.4 | 31.3 | 0 | 0 | 0 | 114.6 | D833 L842 V917 D919 S927 | P777-D833 VanDerWaalsContact CA-OD2 3.23Å; P777-D833 WeakPolarHBondContact CA-OD2 3.39Å; P777-D833 WeakPolarHBondContact CD-OD2 3.47Å; P777-D833 WeakPolarHBondContact CG-OD2 3.33Å; P777-D833 VanDerWaalsContact N-OD2 3.14Å; P777-L842 HydrophobicContact CB-CD2 3.82Å; P777-L842 HydrophobicContact CG-CD2 3.72Å; P777-V917 HydrophobicContact CB-CG1 3.82Å; P777-V917 HydrophobicContact CB-CG2 4.39Å; P777-D919 HydrophobicContact CG-CB 4.06Å; P777-S927 VanDerWaalsContact O-CB 3.25Å; P777-S927 WeakPolarHBondContact O-CB 3.36Å; P777-S927 PolarHBondContact O-OG 3.48Å |
| 778 | Q | 91.2 | Very high | 74.8 | Confident | 144 Ų | 144 | 80.2 Ų | 80.2 | 67% | 0.673 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.7 | -178 | -56.1 | -168.4 | 17.2 | 0 | 0 | 112.4 | I776 A831 K832 | I776-Q778 WeakPolarHBondContact O-CG 3.42Å; I776-Q778 PolarHBondContact O-N 3.03Å; Q778-A831 CarbonylContact O-C 3.4Å; Q778-A831 WeakPolarHBondContact O-CA 3.36Å; Q778-A831 VanDerWaalsContact O-CB 3.29Å; Q778-A831 WeakPolarHBondContact O-CB 3.49Å; Q778-K832 PolarHBondContact N-O 2.87Å; Q778-K832 PolarHBondContact O-N 2.82Å |
| 779 | W | 90.2 | Very high | 71.8 | Confident | 25 Ų | 25 | 84.4 Ų | 84.4 | 10% | 0.095 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.8 | 178.2 | -69.5 | 91.8 | 0 | 0 | 0 | 113.9 | T809 L811 L829 F844 L915 V917 S927 A929 | W779-T809 HydrophobicContact CB-CG2 4.21Å; W779-L811 HydrophobicContact CB-CD2 3.89Å; W779-L811 HydrophobicContact CD2-CD2 4.19Å; W779-L811 HydrophobicContact CE3-CD1 4.09Å; W779-L811 HydrophobicContact CE3-CD2 4.09Å; W779-L811 HydrophobicContact CG-CD2 4.17Å; W779-L811 HydrophobicContact CZ3-CD1 4.22Å; W779-L829 HydrophobicContact CZ3-CB 4.25Å; W779-L829 HydrophobicContact CZ3-CD1 4.47Å; W779-L829 HydrophobicContact CZ3-CD2 4.32Å; W779-F844 HydrophobicContact CE3-CE1 4.49Å; W779-F844 AromaticContact CH2-CD1 3.99Å; W779-F844 HydrophobicContact CH2-CD1 3.99Å; W779-F844 HydrophobicContact CH2-CE1 4.4Å; W779-F844 AromaticContact CZ3-CD1 3.87Å; W779-F844 HydrophobicContact CZ3-CD1 3.87Å; W779-F844 AromaticContact CZ3-CE1 3.92Å; W779-F844 HydrophobicContact CZ3-CE1 3.92Å; W779-L915 HydrophobicContact CH2-CB 3.72Å; W779-L915 HydrophobicContact CZ2-CB 4.07Å; W779-V917 HydrophobicContact CD2-CG1 4.04Å; W779-V917 HydrophobicContact CG-CG1 4.44Å; W779-V917 HydrophobicContact CH2-CB 4.06Å; W779-V917 HydrophobicContact CH2-CG1 4.43Å; W779-V917 HydrophobicContact CZ2-CB 3.84Å; W779-V917 HydrophobicContact CZ2-CG1 3.83Å; W779-S927 PolarHBondContact NE1-O 3.38Å; W779-S927 VanDerWaalsContact NE1-O 3.08Å; W779-S927 PolarHBondContact NE1-OG 3.33Å; W779-A929 HydrophobicContact CD2-CB 3.71Å; W779-A929 HydrophobicContact CE3-CB 4.33Å; W779-A929 HydrophobicContact CG-CB 4.02Å; W779-A929 HydrophobicContact CH2-CB 4.34Å; W779-A929 HydrophobicContact CZ2-CB 3.68Å |
| 780 | E | 86.4 | Confident | 68.9 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 139.8 | 168 | -58.3 | -163.7 | 126.8 | 0 | 0 | 111.7 | S830 K832 | E780-S830 PolarHBondContact N-O 2.86Å; E780-S830 WeakPolarHBondContact OE2-CB 3.41Å; E780-S830 PolarHBondContact OE2-OG 3.12Å; E780-K832 IonicContact OE1-NZ 2.66Å; E780-K832 PolarHBondContact OE1-NZ 3.18Å |
| 781 | Q | 76.3 | Confident | 66.4 | Low | 154 Ų | 154 | 87.8 Ų | 87.8 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 142.1 | 179.8 | -71 | -172.7 | -19.4 | 0 | 0 | 112.6 | I783 | Q781-I783 PolarHBondContact O-N 3.47Š|
| 782 | I | 70.7 | Confident | 64 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | trans | -85.8 | 115.4 | 177.9 | -59.7 | 166.8 | 0 | 0 | 0 | 109.3 | Q784 L811 M814 L827 L931 | I782-Q784 VanDerWaalsContact C-N 3.27Å; I782-Q784 PolarHBondContact O-N 3Å; I782-L811 WeakPolarHBondContact CB-O 3.39Å; I782-L811 HydrophobicContact CD1-CB 3.84Å; I782-L811 HydrophobicContact CD1-CD1 4.29Å; I782-L811 HydrophobicContact CG1-CB 4.23Å; I782-L811 PolarHBondContact N-O 2.99Å; I782-M814 HydrophobicContact CG2-CE 4.43Å; I782-L827 HydrophobicContact CD1-CD2 3.94Å; I782-L931 HydrophobicContact CD1-CD1 3.88Å; I782-L931 HydrophobicContact CD1-CD2 4.5Å | ||
| 783 | I | 57.1 | Low | 61.7 | Low | 167 Ų | 167 | 96.1 Ų | 96.1 | 86% | 0.856 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -79.2 | 69.8 | -173.5 | -46.8 | 179.1 | 0 | 0 | 0 | 111.5 | Q781 | Q781-I783 PolarHBondContact O-N 3.47Š|
| 784 | Q | 49.8 | Very low | 59.3 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | trans | -136.3 | 32.2 | 165.3 | -76.9 | -157.8 | -13.4 | 0 | 0 | 113.2 | I782 S786 | I782-Q784 VanDerWaalsContact C-N 3.27Å; I782-Q784 PolarHBondContact O-N 3Å; Q784-S786 PolarHBondContact O-N 3.47Å | ||
| 785 | A | 34.3 | Very low | 57.2 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 86% | 0.86 | 53% | 0.53 | S | S | * | . | trans | -87.3 | 65.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 786 | S | 33.4 | Very low | 55.1 | Low | 98 Ų | 98 | 100.9 Ų | 100.9 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -114.5 | 117.2 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | Q784 | Q784-S786 PolarHBondContact O-N 3.47Š| ||
| 787 | E | 33.5 | Very low | 53.3 | Low | 184 Ų | 184 | 98.9 Ų | 98.9 | 86% | 0.86 | 53% | 0.53 | S | S | * | . | trans | 57.1 | 82.1 | 161.7 | -57.3 | -170.9 | 159.9 | 0 | 0 | 117.9 | ||||
| 788 | F | 36.2 | Very low | 51.2 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | trans | -116.3 | 77.3 | 152.5 | -114.1 | -75.9 | 0 | 0 | 0 | 111.2 | S790 Q793 | F788-S790 VanDerWaalsContact C-N 3.32Å; F788-S790 PolarHBondContact O-N 3.26Å; F788-Q793 VanDerWaalsContact CE1-OE1 3.29Å | ||
| 789 | S | 30.5 | Very low | 49.2 | Very low | 123 Ų | 123 | 106.3 Ų | 106.3 | 86% | 0.86 | 56% | 0.555 | S | S | * | * | trans | -83.6 | 64 | -179.2 | 61.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 790 | S | 31.9 | Very low | 47.2 | Very low | 39 Ų | 39 | 109 Ų | 109 | 27% | 0.273 | 58% | 0.576 | S | S | . | * | trans | -143.3 | 122.2 | 158.3 | 94.1 | 0 | 0 | 0 | 0 | 110.7 | F788 Q792 Q793 | F788-S790 VanDerWaalsContact C-N 3.32Å; F788-S790 PolarHBondContact O-N 3.26Å; S790-Q792 VanDerWaalsContact C-N 3.27Å; S790-Q792 PolarHBondContact O-N 3.14Å; S790-Q793 PolarHBondContact OG-OE1 3.48Å | ||
| 791 | P | 38.3 | Very low | 45.6 | Very low | 107 Ų | 107 | 108.9 Ų | 108.9 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -36.8 | -177.7 | -27.2 | 35.6 | 0 | 0 | 0 | 113.3 | Q793 T794 | P791-Q793 VanDerWaalsContact C-N 3.33Å; P791-Q793 PolarHBondContact O-N 3.21Å; P791-T794 PolarHBondContact O-N 3.34Å; P791-T794 VanDerWaalsContact O-N 3.13Å; P791-T794 PolarHBondContact O-OG1 3.27Å |
| 792 | Q | 41 | Very low | 44.1 | Very low | 178 Ų | 178 | 109.6 Ų | 109.6 | 83% | 0.832 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68 | -25 | -172 | -69.3 | 178.8 | -23 | 0 | 0 | 114.2 | S790 | S790-Q792 VanDerWaalsContact C-N 3.27Å; S790-Q792 PolarHBondContact O-N 3.14Å |
| 793 | Q | 41.2 | Very low | 43.3 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 49% | 0.486 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -78.8 | -20.8 | 174.8 | -77.6 | 170.7 | -42.6 | 0 | 0 | 113.2 | F788 S790 P791 | F788-Q793 VanDerWaalsContact CE1-OE1 3.29Å; S790-Q793 PolarHBondContact OG-OE1 3.48Å; P791-Q793 VanDerWaalsContact C-N 3.33Å; P791-Q793 PolarHBondContact O-N 3.21Å |
| 794 | T | 40.2 | Very low | 43.4 | Very low | 50 Ų | 50 | 105.9 Ų | 105.9 | 31% | 0.307 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.1 | -29.8 | -174.3 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | P791 L796 L797 K798 | P791-T794 PolarHBondContact O-N 3.34Å; P791-T794 VanDerWaalsContact O-N 3.13Å; P791-T794 PolarHBondContact O-OG1 3.27Å; T794-L796 VanDerWaalsContact C-N 3.34Å; T794-L796 PolarHBondContact O-N 3.47Å; T794-L797 PolarHBondContact O-N 3.01Å; T794-K798 VanDerWaalsContact O-CG 3.28Å; T794-K798 WeakPolarHBondContact O-CG 3.35Å; T794-K798 PolarHBondContact O-N 3.45Å; T794-K798 WeakPolarHBondContact OG1-CE 3.43Å; T794-K798 PolarHBondContact OG1-NZ 3.41Å |
| 795 | D | 45.2 | Very low | 44 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.2 | -15.9 | -174.2 | -71.5 | -9.9 | 0 | 0 | 0 | 114.3 | K798 | D795-K798 IonicContact OD1-NZ 2.77Å; D795-K798 PolarHBondContact OD1-NZ 3.44Å |
| 796 | L | 46.6 | Very low | 45.1 | Very low | 91 Ų | 91 | 103 Ų | 103 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77.5 | -31.6 | 172.1 | -80.2 | 163.2 | 0 | 0 | 0 | 112.6 | T794 M857 | T794-L796 VanDerWaalsContact C-N 3.34Å; T794-L796 PolarHBondContact O-N 3.47Å; L796-M857 HydrophobicContact CD1-CE 4.07Å; L796-M857 HydrophobicContact CD1-SD 3.99Å |
| 797 | L | 51.6 | Low | 46.9 | Very low | 50 Ų | 50 | 102.9 Ų | 102.9 | 26% | 0.262 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -83.1 | -20.4 | 175.2 | -77.7 | 158.4 | 0 | 0 | 0 | 113.3 | T794 R799 I813 I910 F932 | T794-L797 PolarHBondContact O-N 3.01Å; L797-R799 PolarHBondContact O-N 3.36Å; L797-I813 HydrophobicContact CD1-CD1 3.92Å; L797-I910 HydrophobicContact CD2-CD1 4.27Å; L797-F932 HydrophobicContact CD2-CD1 3.94Å; L797-F932 HydrophobicContact CD2-CE1 3.93Å; L797-F932 HydrophobicContact CD2-CG 4.41Å; L797-F932 HydrophobicContact CD2-CZ 4.41Å |
| 798 | K | 50.2 | Low | 49.1 | Very low | 120 Ų | 120 | 96.7 Ų | 96.7 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | trans | -78 | -9.5 | -177.7 | -79.5 | 174.6 | -156.7 | 153.7 | 0 | 115.8 | T794 D795 P800 | T794-K798 VanDerWaalsContact O-CG 3.28Å; T794-K798 WeakPolarHBondContact O-CG 3.35Å; T794-K798 PolarHBondContact O-N 3.45Å; T794-K798 WeakPolarHBondContact OG1-CE 3.43Å; T794-K798 PolarHBondContact OG1-NZ 3.41Å; D795-K798 IonicContact OD1-NZ 2.77Å; D795-K798 PolarHBondContact OD1-NZ 3.44Å; K798-P800 WeakPolarHBondContact O-CD 3.27Å | ||
| 799 | R | 49.4 | Very low | 51.4 | Low | 182 Ų | 182 | 93.3 Ų | 93.3 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -78.8 | 110.8 | 177.7 | -85.8 | -172.1 | -79.7 | -165.6 | -4.5 | 109.9 | L797 H801 | L797-R799 PolarHBondContact O-N 3.36Å; R799-H801 PolarHBondContact O-N 3.37Å |
| 800 | P | 48.4 | Very low | 54 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | trans | -71.7 | 121.4 | -178.8 | 30 | -33.8 | 0 | 0 | 0 | 110 | K798 M802 | K798-P800 WeakPolarHBondContact O-CD 3.27Å; P800-M802 HydrophobicContact CB-CG 3.91Å; P800-M802 HydrophobicContact CG-CG 3.94Å; P800-M802 PolarHBondContact O-N 2.81Å | ||
| 801 | H | 51.4 | Low | 56.5 | Low | 75 Ų | 75 | 90 Ų | 90 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | trans | -70.1 | 83.1 | 156.7 | -93.9 | -70.2 | 0 | 0 | 0 | 107.9 | R799 I803 H850 Y914 | R799-H801 PolarHBondContact O-N 3.37Å; H801-I803 VanDerWaalsContact C-N 3.32Å; H801-I803 PolarHBondContact O-N 2.83Å; H801-H850 AromaticContact CD2-ND1 3.6Å; H801-H850 AromaticContact CG-CE1 3.6Å; H801-H850 AromaticContact CG-ND1 3.51Å; H801-H850 AromaticContact ND1-CE1 3.76Å; H801-H850 AromaticContact ND1-ND1 3.89Å; H801-Y914 PolarHBondContact O-OH 3.29Å | ||
| 802 | M | 45.8 | Very low | 58.5 | Low | 169 Ų | 169 | 85.7 Ų | 85.7 | 83% | 0.833 | 47% | 0.467 | S | S | * | . | trans | -63 | 88.3 | -176.2 | -67.4 | -165.1 | -59.2 | 0 | 0 | 112.2 | P800 | P800-M802 HydrophobicContact CB-CG 3.91Å; P800-M802 HydrophobicContact CG-CG 3.94Å; P800-M802 PolarHBondContact O-N 2.81Å | ||
| 803 | I | 54.2 | Low | 60.3 | Low | 45 Ų | 45 | 80.3 Ų | 80.3 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | trans | -63.3 | 139.4 | 144.9 | -47.5 | 179.8 | 0 | 0 | 0 | 106.2 | H801 L805 K848 Y914 | H801-I803 VanDerWaalsContact C-N 3.32Å; H801-I803 PolarHBondContact O-N 2.83Å; I803-L805 HydrophobicContact CB-CD1 4.31Å; I803-L805 HydrophobicContact CB-CG 4.3Å; I803-L805 HydrophobicContact CG2-CD1 4.25Å; I803-L805 HydrophobicContact CG2-CG 4.03Å; I803-L805 PolarHBondContact O-N 3.1Å; I803-K848 HydrophobicContact CD1-CB 3.81Å; I803-K848 HydrophobicContact CD1-CD 3.67Å; I803-K848 HydrophobicContact CD1-CG 4.36Å; I803-K848 HydrophobicContact CG1-CD 4.4Å; I803-Y914 HydrophobicContact CD1-CD1 3.91Å; I803-Y914 HydrophobicContact CD1-CD2 3.57Å; I803-Y914 HydrophobicContact CD1-CE1 4.25Å; I803-Y914 HydrophobicContact CD1-CE2 3.95Å; I803-Y914 HydrophobicContact CD1-CG 3.56Å | ||
| 804 | G | 58 | Low | 62.3 | Low | 86 Ų | 86 | 76.7 Ų | 76.7 | 89% | 0.887 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -73.4 | 56.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 805 | L | 62.6 | Low | 64.2 | Low | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | trans | -97.1 | 130.6 | 177.4 | -59.2 | 171.1 | 0 | 0 | 0 | 108.8 | I803 V808 I847 Y914 N928 | I803-L805 HydrophobicContact CB-CD1 4.31Å; I803-L805 HydrophobicContact CB-CG 4.3Å; I803-L805 HydrophobicContact CG2-CD1 4.25Å; I803-L805 HydrophobicContact CG2-CG 4.03Å; I803-L805 PolarHBondContact O-N 3.1Å; L805-V808 HydrophobicContact CB-CG2 3.65Å; L805-V808 HydrophobicContact CD1-CG2 4.03Å; L805-V808 HydrophobicContact CG-CG2 4.49Å; L805-I847 HydrophobicContact CD1-CD1 3.94Å; L805-I847 HydrophobicContact CD2-CD1 4.28Å; L805-Y914 HydrophobicContact CD1-CD1 3.78Å; L805-Y914 HydrophobicContact CD1-CE1 4.45Å; L805-N928 HydrophobicContact CD1-CB 4.3Å | ||
| 806 | S | 57.3 | Low | 65.7 | Low | 118 Ų | 118 | 73.4 Ų | 73.4 | 83% | 0.825 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -69.1 | -36.3 | -169.8 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 807 | T | 72 | Confident | 66.9 | Low | 96 Ų | 96 | 74.5 Ų | 74.5 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | trans | -140.1 | 150.4 | 167 | 53.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 808 | V | 79.6 | Confident | 67.8 | Low | 53 Ų | 53 | 76.2 Ų | 76.2 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | trans | -141.7 | 111.4 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | L805 Y914 N928 A929 R930 | L805-V808 HydrophobicContact CB-CG2 3.65Å; L805-V808 HydrophobicContact CD1-CG2 4.03Å; L805-V808 HydrophobicContact CG-CG2 4.49Å; V808-Y914 HydrophobicContact CG1-CD1 4.49Å; V808-Y914 HydrophobicContact CG1-CE1 4.39Å; V808-N928 CarbonylContact C-O 3.55Å; V808-N928 WeakPolarHBondContact CA-O 3.44Å; V808-A929 VanDerWaalsContact CG1-C 3.48Å; V808-R930 HydrophobicContact CG1-CB 3.82Å; V808-R930 HydrophobicContact CG1-CG 3.93Å | ||
| 809 | T | 84.6 | Confident | 68.7 | Low | 56 Ų | 56 | 73.5 Ų | 73.5 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.7 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | W779 L811 N928 A929 R930 | W779-T809 HydrophobicContact CB-CG2 4.21Å; T809-L811 HydrophobicContact CG2-CD2 4.39Å; T809-N928 PolarHBondContact N-O 3.46Å; T809-A929 CarbonylContact O-C 3.49Å; T809-A929 WeakPolarHBondContact O-CA 3.49Å; T809-A929 VanDerWaalsContact O-CB 3.27Å; T809-A929 WeakPolarHBondContact O-CB 3.17Å; T809-R930 PolarHBondContact O-N 3.03Å |
| 810 | E | 84.1 | Confident | 69.9 | Low | 89 Ų | 89 | 65.5 Ų | 65.5 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 112.3 | 176.9 | -172.6 | 162.5 | 177 | 0 | 0 | 110.6 | R930 | E810-R930 HydrophobicContact CB-CG 4.24Å; E810-R930 HydrophobicContact CG-CG 4.21Å; E810-R930 IonicContact OE1-NH2 3.17Å; E810-R930 IonicContact OE2-CZ 2.68Å; E810-R930 IonicContact OE2-NE 3.76Å; E810-R930 PolarHBondContact OE2-NE 3.42Å; E810-R930 IonicContact OE2-NH2 3.33Å; E810-R930 PolarHBondContact OE2-NH2 2.85Å |
| 811 | L | 84.8 | Confident | 71.4 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -21.7 | -179.3 | -53.7 | -175.4 | 0 | 0 | 0 | 112.5 | W779 I782 T809 L829 L915 A929 R930 L931 | W779-L811 HydrophobicContact CB-CD2 3.89Å; W779-L811 HydrophobicContact CD2-CD2 4.19Å; W779-L811 HydrophobicContact CE3-CD1 4.09Å; W779-L811 HydrophobicContact CE3-CD2 4.09Å; W779-L811 HydrophobicContact CG-CD2 4.17Å; W779-L811 HydrophobicContact CZ3-CD1 4.22Å; I782-L811 WeakPolarHBondContact CB-O 3.39Å; I782-L811 HydrophobicContact CD1-CB 3.84Å; I782-L811 HydrophobicContact CD1-CD1 4.29Å; I782-L811 HydrophobicContact CG1-CB 4.23Å; I782-L811 PolarHBondContact N-O 2.99Å; T809-L811 HydrophobicContact CG2-CD2 4.39Å; L811-L829 HydrophobicContact CD1-CD2 3.94Å; L811-L915 HydrophobicContact CD1-CD1 3.8Å; L811-A929 HydrophobicContact CD1-CB 4.17Å; L811-A929 HydrophobicContact CD2-CB 3.96Å; L811-A929 HydrophobicContact CG-CB 3.93Å; L811-R930 PolarHBondContact N-O 2.84Å; L811-L931 HydrophobicContact CD1-CB 4.48Å |
| 812 | G | 80.1 | Confident | 72.9 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 18% | 0.175 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.4 | -161.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F932 | G812-F932 PolarHBondContact O-N 3.09Å |
| 813 | I | 79.2 | Confident | 74.6 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 33% | 0.328 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.5 | -179.6 | -47.2 | -175.8 | 0 | 0 | 0 | 109 | L797 F932 | L797-I813 HydrophobicContact CD1-CD1 3.92Å; I813-F932 CarbonylContact C-O 3.59Å; I813-F932 WeakPolarHBondContact CA-O 3.4Å; I813-F932 HydrophobicContact CB-CB 4.26Å; I813-F932 HydrophobicContact CG1-CB 4.03Å; I813-F932 HydrophobicContact CG1-CD2 4.06Å; I813-F932 HydrophobicContact CG1-CG 4.4Å; I813-F932 HydrophobicContact CG2-CB 3.99Å |
| 814 | M | 82.8 | Confident | 76.1 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.8 | 174.1 | 177.7 | -179.6 | -74.1 | 0 | 0 | 110.7 | I782 I826 L827 F932 L933 K934 | I782-M814 HydrophobicContact CG2-CE 4.43Å; M814-I826 HydrophobicContact SD-CG2 3.95Å; M814-L827 HydrophobicContact CE-CB 4.21Å; M814-L827 HydrophobicContact CE-CD2 3.56Å; M814-L827 HydrophobicContact SD-CD2 4.14Å; M814-F932 PolarHBondContact N-O 2.86Å; M814-L933 HydrophobicContact CB-CD2 3.77Å; M814-L933 HydrophobicContact CG-CD2 4.32Å; M814-L933 WeakPolarHBondContact O-CA 3.29Å; M814-L933 HydrophobicContact SD-CD2 4.14Å; M814-K934 PolarHBondContact O-N 2.74Å |
| 815 | N | 79.9 | Confident | 77.5 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.3 | 178.6 | -65.1 | -58.9 | 0 | 0 | 0 | 110.8 | T817 | N815-T817 PolarHBondContact O-N 3.01Å |
| 816 | I | 77 | Confident | 78.6 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 100.9 | 175.2 | -63.2 | 170 | 0 | 0 | 0 | 108.3 | T818 I820 L905 L933 K934 A935 H936 | I816-T818 WeakPolarHBondContact CG2-O 3.4Å; I816-I820 HydrophobicContact CB-CD1 4.44Å; I816-I820 HydrophobicContact CD1-CD1 3.88Å; I816-I820 HydrophobicContact CG1-CD1 3.94Å; I816-I820 HydrophobicContact CG2-CD1 3.67Å; I816-I820 HydrophobicContact CG2-CG1 3.77Å; I816-L905 HydrophobicContact CD1-CD1 4.33Å; I816-L933 HydrophobicContact CD1-CB 3.94Å; I816-L933 HydrophobicContact CD1-CD1 4.4Å; I816-K934 PolarHBondContact N-O 3.48Å; I816-A935 HydrophobicContact CB-CB 4.43Å; I816-H936 PolarHBondContact O-N 2.94Å; I816-H936 VanDerWaalsContact O-N 3.16Å |
| 817 | T | 71.8 | Confident | 80.2 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 70% | 0.699 | 35% | 0.349 | S | S | * | . | trans | -93.8 | -22.4 | -178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | N815 | N815-T817 PolarHBondContact O-N 3.01Š| ||
| 818 | T | 70.3 | Confident | 81 | Confident | 86 Ų | 86 | 64 Ų | 64 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -107.5 | 146.4 | 176.1 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | I816 I820 | I816-T818 WeakPolarHBondContact CG2-O 3.4Å; T818-I820 PolarHBondContact O-N 2.98Å |
| 819 | P | 69.4 | Low | 81.6 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.2 | 171.1 | 27.1 | -34 | 0 | 0 | 0 | 110.1 | ||
| 820 | I | 74.6 | Confident | 81.8 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.6 | 178.3 | -58.6 | -175 | 0 | 0 | 0 | 108.6 | I816 T818 Q824 I826 A896 G904 L905 | I816-I820 HydrophobicContact CB-CD1 4.44Å; I816-I820 HydrophobicContact CD1-CD1 3.88Å; I816-I820 HydrophobicContact CG1-CD1 3.94Å; I816-I820 HydrophobicContact CG2-CD1 3.67Å; I816-I820 HydrophobicContact CG2-CG1 3.77Å; T818-I820 PolarHBondContact O-N 2.98Å; I820-Q824 HydrophobicContact CG2-CB 3.8Å; I820-Q824 HydrophobicContact CG2-CG 4.01Å; I820-I826 HydrophobicContact CD1-CG1 4.2Å; I820-I826 HydrophobicContact CG2-CG1 4.42Å; I820-A896 HydrophobicContact CG2-CB 3.51Å; I820-G904 CarbonylContact O-C 3.57Å; I820-G904 WeakPolarHBondContact O-CA 3.34Å; I820-L905 HydrophobicContact CB-CB 4.4Å; I820-L905 HydrophobicContact CB-CD1 4.17Å; I820-L905 HydrophobicContact CD1-CD1 4.47Å; I820-L905 HydrophobicContact CG2-CD1 4.38Å; I820-L905 PolarHBondContact O-N 2.88Å |
| 821 | Y | 79.5 | Confident | 82.2 | Confident | 139 Ų | 139 | 57.9 Ų | 57.9 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 155.9 | -176.7 | -63.1 | -80.7 | 0 | 0 | 0 | 112 | G823 Q824 I903 | Y821-G823 PolarHBondContact O-N 2.81Å; Y821-Q824 WeakPolarHBondContact O-CB 3.48Å; Y821-Q824 PolarHBondContact O-N 2.86Å; Y821-I903 HydrophobicContact CD1-CG2 4.29Å |
| 822 | R | 82.5 | Confident | 82.5 | Confident | 171 Ų | 171 | 63.9 Ų | 63.9 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 128.5 | 173.3 | 176.3 | -175.8 | 173.8 | -176.9 | -0.6 | 111 | P898 I903 | R822-P898 HydrophobicContact CG-CG 4.29Å; R822-I903 PolarHBondContact N-O 2.7Å |
| 823 | G | 82.7 | Confident | 83.1 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y821 A896 | Y821-G823 PolarHBondContact O-N 2.81Å; G823-A896 PolarHBondContact N-O 2.83Å |
| 824 | Q | 85.5 | Confident | 83.7 | Confident | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | trans | -81 | 132.3 | 176.8 | -173.2 | 176.4 | -7.8 | 0 | 0 | 110.9 | I820 Y821 A896 | I820-Q824 HydrophobicContact CG2-CB 3.8Å; I820-Q824 HydrophobicContact CG2-CG 4.01Å; Y821-Q824 WeakPolarHBondContact O-CB 3.48Å; Y821-Q824 PolarHBondContact O-N 2.86Å; Q824-A896 PolarHBondContact O-N 3.23Å | ||
| 825 | Q | 87.6 | Confident | 84.2 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.8 | 172.3 | -172.5 | -173.9 | -1.3 | 0 | 0 | 110.7 | ||
| 826 | I | 86.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -50 | 178.5 | -56.1 | 179.1 | 0 | 0 | 0 | 109.9 | M814 I820 F885 L894 A896 L905 L933 | M814-I826 HydrophobicContact SD-CG2 3.95Å; I820-I826 HydrophobicContact CD1-CG1 4.2Å; I820-I826 HydrophobicContact CG2-CG1 4.42Å; I826-F885 HydrophobicContact CD1-CD1 3.58Å; I826-F885 HydrophobicContact CD1-CE1 3.51Å; I826-L894 HydrophobicContact CB-CD2 4.38Å; I826-L894 HydrophobicContact CB-CG 4.38Å; I826-L894 WeakPolarHBondContact CB-O 3.26Å; I826-L894 HydrophobicContact CD1-CD2 4.48Å; I826-L894 HydrophobicContact CD1-CG 4.35Å; I826-L894 HydrophobicContact CG2-CD2 4.41Å; I826-L894 PolarHBondContact N-O 2.74Å; I826-A896 HydrophobicContact CD1-CB 4.15Å; I826-A896 HydrophobicContact CG1-CB 4.33Å; I826-L905 HydrophobicContact CD1-CD1 3.99Å; I826-L933 HydrophobicContact CD1-CD1 4.17Å; I826-L933 HydrophobicContact CG2-CD1 4.4Å; I826-L933 HydrophobicContact CG2-CD2 4.47Å |
| 827 | L | 89.2 | Confident | 85 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 177.4 | 178.6 | 58.9 | 79 | 0 | 0 | 0 | 111.4 | I782 M814 L829 L894 L931 | I782-L827 HydrophobicContact CD1-CD2 3.94Å; M814-L827 HydrophobicContact CE-CB 4.21Å; M814-L827 HydrophobicContact CE-CD2 3.56Å; M814-L827 HydrophobicContact SD-CD2 4.14Å; L827-L829 HydrophobicContact CD1-CD2 3.62Å; L827-L829 HydrophobicContact CD1-CG 3.81Å; L827-L894 HydrophobicContact CD1-CB 3.81Å; L827-L894 HydrophobicContact CD1-CD2 4.15Å; L827-L894 HydrophobicContact CD2-CD2 4.31Å; L827-L894 HydrophobicContact CG-CB 4.08Å; L827-L894 HydrophobicContact CG-CD2 4Å; L827-L894 PolarHBondContact O-N 3.12Å; L827-L931 HydrophobicContact CD2-CD2 3.89Å |
| 828 | V | 90.1 | Very high | 85.6 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.7 | 165.9 | -174.6 | 0 | 0 | 0 | 0 | 108 | T891 E893 | V828-T891 VanDerWaalsContact CG1-O 3.25Å; V828-T891 WeakPolarHBondContact CG1-O 3.37Å; V828-E893 HydrophobicContact CG2-CG 4.39Å |
| 829 | L | 90.7 | Very high | 86.4 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | trans | -80 | 140.7 | 170.1 | -65.1 | 172.2 | 0 | 0 | 0 | 109.8 | W779 L811 L827 F844 V887 G892 L915 | W779-L829 HydrophobicContact CZ3-CB 4.25Å; W779-L829 HydrophobicContact CZ3-CD1 4.47Å; W779-L829 HydrophobicContact CZ3-CD2 4.32Å; L811-L829 HydrophobicContact CD1-CD2 3.94Å; L827-L829 HydrophobicContact CD1-CD2 3.62Å; L827-L829 HydrophobicContact CD1-CG 3.81Å; L829-F844 HydrophobicContact CB-CD1 3.91Å; L829-F844 HydrophobicContact CB-CE1 4.05Å; L829-F844 HydrophobicContact CB-CG 4.43Å; L829-V887 HydrophobicContact CD1-CG1 4.15Å; L829-V887 HydrophobicContact CD1-CG2 4.17Å; L829-G892 WeakPolarHBondContact CB-O 3.25Å; L829-G892 WeakPolarHBondContact CG-O 3.21Å; L829-G892 PolarHBondContact N-O 2.83Å; L829-L915 HydrophobicContact CD1-CD1 3.88Å; L829-L915 HydrophobicContact CD1-CD2 3.87Å; L829-L915 HydrophobicContact CD1-CG 4.41Å; L829-L915 HydrophobicContact CD2-CD1 3.65Å; L829-L915 HydrophobicContact CG-CD1 4.44Å | ||
| 830 | S | 90.8 | Very high | 87.3 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -137.2 | 147.8 | -177.1 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | E780 | E780-S830 PolarHBondContact N-O 2.86Å; E780-S830 WeakPolarHBondContact OE2-CB 3.41Å; E780-S830 PolarHBondContact OE2-OG 3.12Å | ||
| 831 | A | 91.5 | Very high | 88.1 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q778 L842 F844 V917 | Q778-A831 CarbonylContact O-C 3.4Å; Q778-A831 WeakPolarHBondContact O-CA 3.36Å; Q778-A831 VanDerWaalsContact O-CB 3.29Å; Q778-A831 WeakPolarHBondContact O-CB 3.49Å; A831-L842 HydrophobicContact CB-CD1 3.72Å; A831-L842 WeakPolarHBondContact O-CD1 3.34Å; A831-F844 HydrophobicContact CB-CE1 4Å; A831-F844 HydrophobicContact CB-CZ 4.14Å; A831-V917 HydrophobicContact CB-CB 4.38Å; A831-V917 HydrophobicContact CB-CG1 4.06Å; A831-V917 HydrophobicContact CB-CG2 3.98Å |
| 832 | K | 91.9 | Very high | 88.7 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.1 | 178 | -72.9 | -169 | 170.7 | 98.1 | 0 | 111.6 | Q778 E780 | Q778-K832 PolarHBondContact N-O 2.87Å; Q778-K832 PolarHBondContact O-N 2.82Å; E780-K832 IonicContact OE1-NZ 2.66Å; E780-K832 PolarHBondContact OE1-NZ 3.18Å |
| 833 | D | 92.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | trans | -122 | 170.2 | 164.2 | -133 | -61.8 | 0 | 0 | 0 | 111.6 | N775 P777 A840 L842 | N775-D833 WeakPolarHBondContact CB-OD1 3.42Å; P777-D833 VanDerWaalsContact CA-OD2 3.23Å; P777-D833 WeakPolarHBondContact CA-OD2 3.39Å; P777-D833 WeakPolarHBondContact CD-OD2 3.47Å; P777-D833 WeakPolarHBondContact CG-OD2 3.33Å; P777-D833 VanDerWaalsContact N-OD2 3.14Å; D833-A840 HydrophobicContact CB-CB 3.93Å; D833-L842 HydrophobicContact CB-CD2 4.31Å | ||
| 834 | A | 91.5 | Very high | 89.7 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -108.5 | -25.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R738 E739 N775 | R738-A834 PolarHBondContact NH2-O 2.7Å; E739-A834 HydrophobicContact CG-CB 4.19Å; N775-A834 HydrophobicContact CB-CB 3.91Å |
| 835 | D | 92.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -65.2 | -170.4 | 179.7 | -59.4 | -6.9 | 0 | 0 | 0 | 112.4 | R738 N773 D774 N775 N839 A840 | R738-D835 VanDerWaalsContact NH2-C 3.31Å; R738-D835 PolarHBondContact NH2-O 3.29Å; N773-D835 VanDerWaalsContact CA-OD2 3.23Å; N773-D835 WeakPolarHBondContact CA-OD2 3.32Å; D774-D835 PolarHBondContact N-OD2 3.07Å; N775-D835 VanDerWaalsContact CB-OD1 3.23Å; N775-D835 WeakPolarHBondContact CB-OD1 3.43Å; N775-D835 PolarHBondContact N-OD1 2.83Å; N775-D835 PolarHBondContact N-OD2 3.42Å; N775-D835 PolarHBondContact ND2-OD1 3.43Å; D835-N839 HydrophobicContact CB-CB 3.54Å; D835-A840 VanDerWaalsContact O-CB 3.29Å; D835-A840 WeakPolarHBondContact O-CB 3.44Å |
| 836 | D | 88.8 | Confident | 90 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | trans | -110.8 | 169.3 | 178.2 | -140.5 | -36.8 | 0 | 0 | 0 | 114.4 | R738 D771 H838 N839 A840 | R738-D836 VanDerWaalsContact NH1-CB 3.33Å; R738-D836 IonicContact NH1-OD2 2.64Å; R738-D836 PolarHBondContact NH1-OD2 2.98Å; D771-D836 HydrophobicContact CB-CB 4.2Å; D771-D836 VanDerWaalsContact CG-N 3.31Å; D771-D836 WeakPolarHBondContact OD1-CB 3.39Å; D771-D836 PolarHBondContact OD1-N 3.42Å; D771-D836 PolarHBondContact OD2-N 2.84Å; D771-D836 VanDerWaalsContact OD2-N 3.09Å; D836-H838 PolarHBondContact O-N 3.24Å; D836-N839 WeakPolarHBondContact O-CA 3.42Å; D836-N839 WeakPolarHBondContact O-CB 3.39Å; D836-N839 PolarHBondContact O-N 2.93Å; D836-A840 PolarHBondContact O-N 3.22Å | ||
| 837 | A | 85.7 | Confident | 90 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | -101.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N841 | A837-N841 PolarHBondContact O-ND2 3.22Š|
| 838 | H | 83.5 | Confident | 89.7 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -29.1 | -178.5 | -147.4 | 41.9 | 0 | 0 | 0 | 113 | D836 N841 N920 | D836-H838 PolarHBondContact O-N 3.24Å; H838-N841 WeakPolarHBondContact O-CB 3.48Å; H838-N841 PolarHBondContact O-N 2.88Å; H838-N920 PolarHBondContact CD2-O 2.95Å; H838-N920 CarbonylContact O-C 3.56Å |
| 839 | N | 87.4 | Confident | 89.4 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -41.8 | 178 | -64 | -8.8 | 0 | 0 | 0 | 109.8 | D771 N773 D835 D836 N841 D919 | D771-N839 WeakPolarHBondContact OD2-CB 3.09Å; D771-N839 PolarHBondContact OD2-ND2 3.46Å; N773-N839 HydrophobicContact CB-CB 4.05Å; N773-N839 PolarHBondContact N-ND2 2.64Å; N773-N839 WeakPolarHBondContact OD1-CA 3.43Å; N773-N839 WeakPolarHBondContact OD1-CB 3.36Å; N773-N839 PolarHBondContact OD1-OD1 3.17Å; D835-N839 HydrophobicContact CB-CB 3.54Å; D836-N839 WeakPolarHBondContact O-CA 3.42Å; D836-N839 WeakPolarHBondContact O-CB 3.39Å; D836-N839 PolarHBondContact O-N 2.93Å; N839-N841 VanDerWaalsContact C-N 3.34Å; N839-N841 PolarHBondContact O-N 3.11Å; N839-D919 WeakPolarHBondContact O-CB 3.45Å |
| 840 | A | 88.6 | Confident | 88.9 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 6.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | D833 D835 D836 | D833-A840 HydrophobicContact CB-CB 3.93Å; D835-A840 VanDerWaalsContact O-CB 3.29Å; D835-A840 WeakPolarHBondContact O-CB 3.44Å; D836-A840 PolarHBondContact O-N 3.22Å |
| 841 | N | 90.6 | Very high | 88.3 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | trans | -83.4 | 117.4 | 179.3 | -107.3 | -73.8 | 0 | 0 | 0 | 110.9 | A837 H838 N839 D919 N920 | A837-N841 PolarHBondContact O-ND2 3.22Å; H838-N841 WeakPolarHBondContact O-CB 3.48Å; H838-N841 PolarHBondContact O-N 2.88Å; N839-N841 VanDerWaalsContact C-N 3.34Å; N839-N841 PolarHBondContact O-N 3.11Å; N841-D919 CarbonylContact O-C 3.59Å; N841-D919 VanDerWaalsContact O-CA 3.25Å; N841-D919 WeakPolarHBondContact O-CA 3.23Å; N841-N920 HydrophobicContact CB-CB 4.39Å; N841-N920 PolarHBondContact O-N 2.79Å; N841-N920 PolarHBondContact O-ND2 2.9Å | ||
| 842 | L | 92.7 | Very high | 87.4 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | trans | -97.3 | 149.4 | -173.1 | -57.8 | -175.5 | 0 | 0 | 0 | 114.7 | P777 A831 D833 V917 C918 D919 | P777-L842 HydrophobicContact CB-CD2 3.82Å; P777-L842 HydrophobicContact CG-CD2 3.72Å; A831-L842 HydrophobicContact CB-CD1 3.72Å; A831-L842 WeakPolarHBondContact O-CD1 3.34Å; D833-L842 HydrophobicContact CB-CD2 4.31Å; L842-V917 HydrophobicContact CB-CG2 3.97Å; L842-V917 HydrophobicContact CD1-CG2 4.2Å; L842-V917 HydrophobicContact CD2-CG2 4.32Å; L842-V917 HydrophobicContact CG-CG2 4.4Å; L842-C918 CarbonylContact C-O 3.58Å; L842-D919 HydrophobicContact CD2-CB 4.46Å | ||
| 843 | T | 92.4 | Very high | 86.2 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135.9 | 172.9 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | S889 V917 C918 | T843-S889 CarbonylContact C-O 3.59Å; T843-S889 VanDerWaalsContact CA-O 3.31Å; T843-S889 WeakPolarHBondContact CA-O 3.26Å; T843-V917 CarbonylContact O-C 3.53Å; T843-V917 VanDerWaalsContact O-CA 3.27Å; T843-V917 WeakPolarHBondContact O-CA 2.98Å; T843-C918 PolarHBondContact N-O 2.87Å; T843-C918 PolarHBondContact O-N 2.65Å; T843-C918 PolarHBondContact OG1-O 2.99Å |
| 844 | F | 93 | Very high | 84.6 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.8 | -176.7 | -60.3 | -86.3 | 0 | 0 | 0 | 112.4 | W779 L829 A831 V887 S889 R916 V917 | W779-F844 HydrophobicContact CE3-CE1 4.49Å; W779-F844 AromaticContact CH2-CD1 3.99Å; W779-F844 HydrophobicContact CH2-CD1 3.99Å; W779-F844 HydrophobicContact CH2-CE1 4.4Å; W779-F844 AromaticContact CZ3-CD1 3.87Å; W779-F844 HydrophobicContact CZ3-CD1 3.87Å; W779-F844 AromaticContact CZ3-CE1 3.92Å; W779-F844 HydrophobicContact CZ3-CE1 3.92Å; L829-F844 HydrophobicContact CB-CD1 3.91Å; L829-F844 HydrophobicContact CB-CE1 4.05Å; L829-F844 HydrophobicContact CB-CG 4.43Å; A831-F844 HydrophobicContact CB-CE1 4Å; A831-F844 HydrophobicContact CB-CZ 4.14Å; F844-V887 HydrophobicContact CB-CG1 3.8Å; F844-S889 PolarHBondContact N-O 2.91Å; F844-S889 VanDerWaalsContact O-CA 3.25Å; F844-S889 WeakPolarHBondContact O-CA 3.2Å; F844-S889 WeakPolarHBondContact O-CB 3.29Å; F844-R916 CarbonylContact C-O 3.57Å; F844-R916 WeakPolarHBondContact CA-O 3.13Å; F844-V917 HydrophobicContact CD1-CB 3.92Å; F844-V917 HydrophobicContact CD1-CG2 3.87Å; F844-V917 HydrophobicContact CE1-CB 3.93Å; F844-V917 HydrophobicContact CE1-CG2 3.63Å; F844-V917 HydrophobicContact CG-CG2 4.5Å; F844-V917 HydrophobicContact CZ-CG2 4.06Å |
| 845 | Q | 90.8 | Very high | 82.7 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146 | 179.4 | -51.7 | -178.9 | 11.8 | 0 | 0 | 111.9 | L915 R916 | Q845-L915 CarbonylContact O-C 3.49Å; Q845-L915 WeakPolarHBondContact O-CA 3.12Å; Q845-R916 HydrophobicContact CB-CB 4.31Å; Q845-R916 PolarHBondContact N-O 3.43Å; Q845-R916 PolarHBondContact O-N 3.21Å |
| 846 | L | 89.4 | Confident | 80.5 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 108.8 | 170.8 | -179.5 | 64.9 | 0 | 0 | 0 | 109 | V849 F885 V887 L913 L915 | L846-V849 HydrophobicContact CD1-CG2 4.2Å; L846-V849 HydrophobicContact CD2-CG2 3.98Å; L846-V849 HydrophobicContact CG-CG2 4.35Å; L846-F885 HydrophobicContact CD2-CB 3.85Å; L846-V887 HydrophobicContact CB-CB 4.31Å; L846-V887 HydrophobicContact CB-CG2 3.91Å; L846-L913 HydrophobicContact CD1-CB 4.11Å; L846-L913 HydrophobicContact CD1-CD2 4.14Å; L846-L913 HydrophobicContact CD1-CG 4.25Å; L846-L915 HydrophobicContact CB-CD2 4.49Å; L846-L915 HydrophobicContact CD1-CD2 3.69Å |
| 847 | I | 86.5 | Confident | 78.3 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -49.1 | -177.2 | -50.2 | 173.3 | 0 | 0 | 0 | 110.4 | L805 Y914 L915 R916 N928 | L805-I847 HydrophobicContact CD1-CD1 3.94Å; L805-I847 HydrophobicContact CD2-CD1 4.28Å; I847-Y914 WeakPolarHBondContact CB-O 3.39Å; I847-Y914 PolarHBondContact N-O 3.33Å; I847-L915 WeakPolarHBondContact CD1-O 3.23Å; I847-R916 HydrophobicContact CD1-CB 4.06Å; I847-R916 HydrophobicContact CG1-CB 4.08Å; I847-N928 HydrophobicContact CD1-CB 4.43Å; I847-N928 WeakPolarHBondContact CD1-OD1 3.34Å |
| 848 | K | 83.4 | Confident | 75.9 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 156.5 | -174.7 | -154.5 | 175.5 | 179.2 | -161.9 | 0 | 112.4 | I803 H850 Y914 | I803-K848 HydrophobicContact CD1-CB 3.81Å; I803-K848 HydrophobicContact CD1-CD 3.67Å; I803-K848 HydrophobicContact CD1-CG 4.36Å; I803-K848 HydrophobicContact CG1-CD 4.4Å; K848-H850 WeakPolarHBondContact CD-NE2 3.46Å; K848-H850 WeakPolarHBondContact CE-NE2 3.22Å; K848-H850 PolarHBondContact NZ-NE2 2.86Å; K848-Y914 PolarHBondContact N-O 3.38Å; K848-Y914 PolarHBondContact O-N 3.38Å |
| 849 | V | 83.9 | Confident | 73.5 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132 | 170.7 | -171.4 | 0 | 0 | 0 | 0 | 109 | L846 F885 Y911 E912 L913 | L846-V849 HydrophobicContact CD1-CG2 4.2Å; L846-V849 HydrophobicContact CD2-CG2 3.98Å; L846-V849 HydrophobicContact CG-CG2 4.35Å; V849-F885 HydrophobicContact CG1-CD2 3.88Å; V849-F885 HydrophobicContact CG1-CE2 3.84Å; V849-F885 HydrophobicContact CG2-CD2 3.91Å; V849-Y911 HydrophobicContact CG1-CD1 4.25Å; V849-E912 CarbonylContact C-O 3.51Å; V849-E912 WeakPolarHBondContact CA-O 3.14Å; V849-L913 HydrophobicContact CG2-CG 4.47Å |
| 850 | H | 79.1 | Confident | 70.9 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.3 | 166.1 | -76.7 | -142.1 | 0 | 0 | 0 | 108.7 | H801 K848 Y911 E912 | H801-H850 AromaticContact CD2-ND1 3.6Å; H801-H850 AromaticContact CG-CE1 3.6Å; H801-H850 AromaticContact CG-ND1 3.51Å; H801-H850 AromaticContact ND1-CE1 3.76Å; H801-H850 AromaticContact ND1-ND1 3.89Å; K848-H850 WeakPolarHBondContact CD-NE2 3.46Å; K848-H850 WeakPolarHBondContact CE-NE2 3.22Å; K848-H850 PolarHBondContact NZ-NE2 2.86Å; H850-Y911 CarbonylContact O-C 3.08Å; H850-Y911 VanDerWaalsContact O-CA 3.32Å; H850-Y911 WeakPolarHBondContact O-CA 3.49Å; H850-E912 HydrophobicContact CB-CB 4.2Å; H850-E912 PolarHBondContact N-O 3.02Å; H850-E912 PolarHBondContact O-N 3.14Å |
| 851 | F | 77.6 | Confident | 68.4 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128 | 179.5 | 176.8 | -115.4 | 0 | 0 | 0 | 111.7 | K853 V880 D907 I910 Y911 | F851-K853 HydrophobicContact CE1-CB 3.91Å; F851-K853 HydrophobicContact CE1-CG 4.12Å; F851-K853 HydrophobicContact CZ-CB 4.32Å; F851-K853 HydrophobicContact CZ-CG 4.35Å; F851-V880 HydrophobicContact CB-CG2 4.4Å; F851-D907 HydrophobicContact CZ-CB 4.03Å; F851-I910 WeakPolarHBondContact CA-O 3.33Å; F851-Y911 HydrophobicContact CB-CD1 4.12Å; F851-Y911 HydrophobicContact CB-CE1 4.29Å; F851-Y911 AromaticContact CD2-CD1 3.46Å; F851-Y911 HydrophobicContact CD2-CD1 3.46Å; F851-Y911 VanDerWaalsContact CD2-CD1 3.46Å; F851-Y911 HydrophobicContact CD2-CD2 4.16Å; F851-Y911 AromaticContact CD2-CE1 3.29Å; F851-Y911 HydrophobicContact CD2-CE1 3.29Å; F851-Y911 HydrophobicContact CD2-CE2 4.01Å; F851-Y911 AromaticContact CD2-CG 3.91Å; F851-Y911 HydrophobicContact CD2-CG 3.91Å; F851-Y911 AromaticContact CD2-CZ 3.59Å; F851-Y911 HydrophobicContact CE2-CD1 4.24Å; F851-Y911 HydrophobicContact CE2-CD2 4.32Å; F851-Y911 AromaticContact CE2-CE1 3.74Å; F851-Y911 HydrophobicContact CE2-CE1 3.74Å; F851-Y911 AromaticContact CE2-CE2 3.82Å; F851-Y911 HydrophobicContact CE2-CE2 3.82Å; F851-Y911 AromaticContact CE2-CZ 3.51Å; F851-Y911 HydrophobicContact CG-CD1 4.12Å; F851-Y911 AromaticContact CG-CE1 3.93Å; F851-Y911 HydrophobicContact CG-CE1 3.93Å |
| 852 | L | 72.7 | Confident | 65.7 | Low | 71 Ų | 71 | 90.3 Ų | 90.3 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 105.2 | 179.7 | -62.9 | 171.8 | 0 | 0 | 0 | 108.9 | G909 I910 | L852-G909 CarbonylContact O-C 3.57Å; L852-G909 WeakPolarHBondContact O-CA 3.46Å; L852-I910 HydrophobicContact CB-CB 4.39Å; L852-I910 PolarHBondContact N-O 3.08Å; L852-I910 PolarHBondContact O-N 2.64Å |
| 853 | K | 67.1 | Low | 63 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.3 | -178.2 | -160.7 | -174.2 | -178.7 | -147.9 | 0 | 111.2 | F851 D855 | F851-K853 HydrophobicContact CE1-CB 3.91Å; F851-K853 HydrophobicContact CE1-CG 4.12Å; F851-K853 HydrophobicContact CZ-CB 4.32Å; F851-K853 HydrophobicContact CZ-CG 4.35Å; K853-D855 WeakPolarHBondContact CD-OD2 3.25Å; K853-D855 WeakPolarHBondContact CE-OD2 3.37Å; K853-D855 IonicContact NZ-OD2 2.65Å; K853-D855 PolarHBondContact NZ-OD2 3.24Å; K853-D855 PolarHBondContact O-N 2.8Å; K853-D855 VanDerWaalsContact O-N 3.07Å |
| 854 | N | 60.2 | Low | 60.1 | Low | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -58 | -24 | -174.2 | -78 | -19.1 | 0 | 0 | 0 | 115.6 | Y856 M857 S908 | N854-Y856 PolarHBondContact O-N 3.17Å; N854-M857 PolarHBondContact O-N 3.36Å; N854-S908 PolarHBondContact N-O 2.9Å; N854-S908 WeakPolarHBondContact ND2-CB 3.24Å; N854-S908 PolarHBondContact ND2-OG 2.83Å |
| 855 | D | 51.2 | Low | 57.3 | Low | 111 Ų | 111 | 111 Ų | 111 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -60.3 | -15.2 | -174.5 | -51.5 | -17.5 | 0 | 0 | 0 | 114.5 | K853 | K853-D855 WeakPolarHBondContact CD-OD2 3.25Å; K853-D855 WeakPolarHBondContact CE-OD2 3.37Å; K853-D855 IonicContact NZ-OD2 2.65Å; K853-D855 PolarHBondContact NZ-OD2 3.24Å; K853-D855 PolarHBondContact O-N 2.8Å; K853-D855 VanDerWaalsContact O-N 3.07Å |
| 856 | Y | 45.3 | Very low | 54.5 | Low | 200 Ų | 200 | 114.5 Ų | 114.5 | 78% | 0.784 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -88.6 | 6.8 | 179.6 | -84.9 | -86.4 | 0 | 0 | 0 | 115.1 | N854 | N854-Y856 PolarHBondContact O-N 3.17Š|
| 857 | M | 42.7 | Very low | 51.7 | Low | 122 Ų | 122 | 119.5 Ų | 119.5 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -99.4 | 12.1 | -173.4 | -73.8 | -79.5 | 172.6 | 0 | 0 | 115.4 | L796 N854 | L796-M857 HydrophobicContact CD1-CE 4.07Å; L796-M857 HydrophobicContact CD1-SD 3.99Å; N854-M857 PolarHBondContact O-N 3.36Å |
| 858 | Q | 35 | Very low | 49.3 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 61% | 0.607 | S | S | * | * | trans | -131.5 | 14.3 | -171.6 | -71.9 | -166.6 | -19.6 | 0 | 0 | 117 | ||||
| 859 | S | 34.6 | Very low | 46.7 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | trans | -102.3 | 108.1 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 860 | E | 32.6 | Very low | 44.2 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -79.3 | 175.2 | 168.1 | -62.3 | -171.3 | 127 | 0 | 0 | 112 | ||||
| 861 | D | 36.1 | Very low | 41.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | trans | 80.2 | 89.2 | 168.4 | -91.2 | 17 | 0 | 0 | 0 | 123 | ||||
| 862 | K | 34.2 | Very low | 39.5 | Very low | 168 Ų | 168 | 146 Ų | 146 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | 71.3 | 157.8 | 121.3 | -63.7 | 177.6 | -174.9 | 89.2 | 0 | 122.1 | |||||
| 863 | V | 36.1 | Very low | 37.4 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | trans | 86.7 | 81.7 | 160.8 | -159.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 864 | L | 31.2 | Very low | 35.6 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | 40.4 | 109.2 | 118.9 | -169 | 85.1 | 0 | 0 | 0 | 119.7 | |||||
| 865 | Y | 32.6 | Very low | 34.1 | Very low | 240 Ų | 240 | 156.7 Ų | 156.7 | 94% | 0.941 | 78% | 0.775 | S | S | * | * | trans | -141.5 | 137.4 | 143 | -111.7 | -85 | 0 | 0 | 0 | 111.5 | ||||
| 866 | K | 34 | Very low | 32.9 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -101.6 | 144.9 | 177 | -77.3 | -176.6 | 175.8 | 179.4 | 0 | 111.4 | ||||
| 867 | N | 30.6 | Very low | 32.2 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 35.7 | 90.6 | 152.4 | -61.3 | 10.3 | 0 | 0 | 0 | 118.1 | ||||
| 868 | K | 35.1 | Very low | 31.5 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 92% | 0.922 | 77% | 0.765 | S | S | * | * | -160.4 | 147.8 | 127.2 | -112.5 | 168.6 | -175.1 | -178.4 | 0 | 112 | |||||
| 869 | I | 29.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 82% | 0.821 | 75% | 0.745 | S | S | * | * | trans | -78.2 | 128.9 | 176.3 | -62.1 | 160.5 | 0 | 0 | 0 | 108.5 | ||||
| 870 | H | 30.5 | Very low | 31.8 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 83% | 0.833 | 72% | 0.719 | S | S | * | * | trans | -167.1 | 158.2 | 141 | -100.4 | -64.7 | 0 | 0 | 0 | 109.6 | ||||
| 871 | P | 30.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -91.1 | -173.8 | -166.2 | 38.6 | -38.4 | 0 | 0 | 0 | 113.6 | ||||
| 872 | T | 27.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 77% | 0.767 | 70% | 0.696 | S | S | * | * | trans | 56.2 | 88.6 | 163.6 | 53.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 873 | N | 29.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | -157.4 | 109.1 | 122.4 | -103.3 | -20.2 | 0 | 0 | 0 | 112.3 | Y875 | N873-Y875 PolarHBondContact O-N 3.44Š| |||
| 874 | S | 27.9 | Very low | 37.1 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | 25 | 76.6 | 149.4 | 62.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 875 | Y | 29.8 | Very low | 39.8 | Very low | 217 Ų | 217 | 115.9 Ų | 115.9 | 85% | 0.851 | 61% | 0.614 | S | S | * | * | trans | -75.2 | 119.1 | 138 | -76.7 | -80.9 | 0 | 0 | 0 | 107.2 | N873 T877 | N873-Y875 PolarHBondContact O-N 3.44Å; Y875-T877 PolarHBondContact O-N 3.1Å | ||
| 876 | A | 26.3 | Very low | 42.4 | Very low | 94 Ų | 94 | 108.3 Ų | 108.3 | 78% | 0.777 | 59% | 0.593 | S | S | * | * | trans | -79 | 47.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S878 | A876-S878 VanDerWaalsContact C-N 3.31Å; A876-S878 PolarHBondContact O-N 3Å | ||
| 877 | T | 29.6 | Very low | 45.1 | Very low | 71 Ų | 71 | 101.1 Ų | 101.1 | 44% | 0.436 | 56% | 0.563 | S | S | . | * | trans | -71.7 | 91.2 | 160.8 | 52.5 | 0 | 0 | 0 | 0 | 107.5 | Y875 S879 | Y875-T877 PolarHBondContact O-N 3.1Å; T877-S879 PolarHBondContact O-N 2.9Å; T877-S879 VanDerWaalsContact O-N 3.17Å | ||
| 878 | S | 28.2 | Very low | 47.9 | Very low | 79 Ų | 79 | 96.2 Ų | 96.2 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | trans | -60.3 | 120.2 | 166.6 | 41.4 | 0 | 0 | 0 | 0 | 108.2 | A876 V880 | A876-S878 VanDerWaalsContact C-N 3.31Å; A876-S878 PolarHBondContact O-N 3Å; S878-V880 VanDerWaalsContact O-CG2 3.32Å; S878-V880 WeakPolarHBondContact O-CG2 3.29Å; S878-V880 PolarHBondContact O-N 2.98Å | ||
| 879 | S | 36.1 | Very low | 50.5 | Low | 69 Ų | 69 | 89 Ų | 89 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | trans | -65.2 | 93.6 | 157.1 | 49.1 | 0 | 0 | 0 | 0 | 105.7 | T877 D881 | T877-S879 PolarHBondContact O-N 2.9Å; T877-S879 VanDerWaalsContact O-N 3.17Å; S879-D881 PolarHBondContact O-N 3.01Å; S879-D881 VanDerWaalsContact O-N 3.1Å | ||
| 880 | V | 40.1 | Very low | 53.3 | Low | 30 Ų | 30 | 89.9 Ų | 89.9 | 18% | 0.182 | 51% | 0.513 | C | S | . | . | trans | -76.7 | 105.5 | -174.6 | -135.4 | 0 | 0 | 0 | 0 | 107.5 | F851 S878 S882 Y884 | F851-V880 HydrophobicContact CB-CG2 4.4Å; S878-V880 VanDerWaalsContact O-CG2 3.32Å; S878-V880 WeakPolarHBondContact O-CG2 3.29Å; S878-V880 PolarHBondContact O-N 2.98Å; V880-S882 VanDerWaalsContact CG1-CB 3.45Å; V880-S882 PolarHBondContact O-N 2.98Å; V880-Y884 HydrophobicContact CB-CE2 4.17Å; V880-Y884 HydrophobicContact CG1-CE2 4.34Å; V880-Y884 HydrophobicContact CG2-CE2 4.23Å | ||
| 881 | D | 50.6 | Low | 56 | Low | 165 Ų | 165 | 84.2 Ų | 84.2 | 88% | 0.882 | 49% | 0.491 | S | S | * | . | trans | -67.5 | 28.1 | 161.4 | -56.1 | -40.6 | 0 | 0 | 0 | 111.1 | S879 | S879-D881 PolarHBondContact O-N 3.01Å; S879-D881 VanDerWaalsContact O-N 3.1Å | ||
| 882 | S | 52.4 | Low | 58.8 | Low | 25 Ų | 25 | 79.5 Ų | 79.5 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | trans | -79.6 | 137.6 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | V880 Y884 | V880-S882 VanDerWaalsContact CG1-CB 3.45Å; V880-S882 PolarHBondContact O-N 2.98Å; S882-Y884 PolarHBondContact O-N 3.27Å | ||
| 883 | P | 69.2 | Low | 61.8 | Low | 70 Ų | 70 | 76.4 Ų | 76.4 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | trans | -77.4 | 74.3 | -179.6 | 36 | -38.7 | 0 | 0 | 0 | 109.3 | G897 P898 G899 | P883-G897 CarbonylContact O-C 3.58Å; P883-G897 WeakPolarHBondContact O-CA 3.48Å; P883-P898 HydrophobicContact CB-CG 4.19Å; P883-P898 HydrophobicContact CG-CB 4.1Å; P883-P898 HydrophobicContact CG-CG 3.76Å; P883-P898 VanDerWaalsContact O-CD 3.25Å; P883-P898 WeakPolarHBondContact O-CD 3.35Å; P883-G899 PolarHBondContact O-N 2.91Å | ||
| 884 | Y | 77.9 | Confident | 64.7 | Low | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | trans | -85.5 | -34.1 | 175.2 | -77.3 | -63.3 | 0 | 0 | 0 | 112.4 | V880 S882 G897 Q900 L905 Y911 | V880-Y884 HydrophobicContact CB-CE2 4.17Å; V880-Y884 HydrophobicContact CG1-CE2 4.34Å; V880-Y884 HydrophobicContact CG2-CE2 4.23Å; S882-Y884 PolarHBondContact O-N 3.27Å; Y884-G897 PolarHBondContact O-N 2.87Å; Y884-Q900 VanDerWaalsContact OH-CD 3.28Å; Y884-Q900 VanDerWaalsContact OH-CG 3.32Å; Y884-Q900 WeakPolarHBondContact OH-CG 3.44Å; Y884-Q900 PolarHBondContact OH-NE2 2.61Å; Y884-L905 HydrophobicContact CD1-CD2 3.79Å; Y884-Y911 AromaticContact CD1-CE1 3.72Å; Y884-Y911 HydrophobicContact CD1-CE1 3.72Å; Y884-Y911 AromaticContact CD2-CE1 3.95Å; Y884-Y911 HydrophobicContact CD2-CE1 3.95Å; Y884-Y911 AromaticContact CE1-CE1 3.79Å; Y884-Y911 HydrophobicContact CE1-CE1 3.79Å; Y884-Y911 WeakPolarHBondContact CE1-OH 3.23Å; Y884-Y911 AromaticContact CE2-CE1 4Å; Y884-Y911 HydrophobicContact CE2-CE1 4Å; Y884-Y911 HydrophobicContact CG-CD1 4.48Å; Y884-Y911 AromaticContact CG-CE1 3.81Å; Y884-Y911 HydrophobicContact CG-CE1 3.81Å; Y884-Y911 AromaticContact CZ-CE1 3.91Å | ||
| 885 | F | 87.9 | Confident | 67.6 | Low | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152 | -175 | -54.1 | -74.1 | 0 | 0 | 0 | 111.7 | I826 L846 V849 L894 I895 L905 Y911 L913 L933 | I826-F885 HydrophobicContact CD1-CD1 3.58Å; I826-F885 HydrophobicContact CD1-CE1 3.51Å; L846-F885 HydrophobicContact CD2-CB 3.85Å; V849-F885 HydrophobicContact CG1-CD2 3.88Å; V849-F885 HydrophobicContact CG1-CE2 3.84Å; V849-F885 HydrophobicContact CG2-CD2 3.91Å; F885-L894 HydrophobicContact CB-CD1 4.07Å; F885-L894 HydrophobicContact CD1-CD1 4.45Å; F885-I895 CarbonylContact C-O 3.53Å; F885-I895 WeakPolarHBondContact CA-O 3.42Å; F885-L905 HydrophobicContact CE1-CD1 3.66Å; F885-L905 HydrophobicContact CE1-CD2 4.03Å; F885-L905 HydrophobicContact CE1-CG 4.47Å; F885-L905 HydrophobicContact CZ-CD1 4.19Å; F885-L905 HydrophobicContact CZ-CD2 3.8Å; F885-Y911 AromaticContact CE2-CD1 3.59Å; F885-Y911 HydrophobicContact CE2-CD1 3.59Å; F885-Y911 HydrophobicContact CE2-CD2 4.47Å; F885-Y911 HydrophobicContact CE2-CE1 4.26Å; F885-Y911 AromaticContact CE2-CG 3.71Å; F885-Y911 HydrophobicContact CE2-CG 3.71Å; F885-Y911 AromaticContact CZ-CD1 3.93Å; F885-Y911 HydrophobicContact CZ-CD1 3.93Å; F885-Y911 HydrophobicContact CZ-CD2 4Å; F885-Y911 HydrophobicContact CZ-CE1 4.43Å; F885-Y911 AromaticContact CZ-CG 3.68Å; F885-Y911 HydrophobicContact CZ-CG 3.68Å; F885-L913 HydrophobicContact CB-CD2 4.37Å; F885-L913 HydrophobicContact CD1-CD2 4.25Å; F885-L913 HydrophobicContact CD2-CD1 4.25Å; F885-L913 HydrophobicContact CD2-CD2 3.97Å; F885-L913 HydrophobicContact CD2-CG 4.14Å; F885-L913 HydrophobicContact CE2-CD1 3.9Å; F885-L913 HydrophobicContact CE2-CD2 4.35Å; F885-L913 HydrophobicContact CE2-CG 4.31Å; F885-L913 HydrophobicContact CG-CD2 3.93Å; F885-L913 HydrophobicContact CZ-CD1 4.24Å; F885-L933 HydrophobicContact CD1-CD1 4.18Å; F885-L933 HydrophobicContact CE1-CD1 3.41Å; F885-L933 VanDerWaalsContact CE1-CD1 3.41Å; F885-L933 HydrophobicContact CZ-CD1 3.69Å |
| 886 | V | 87.4 | Confident | 70.3 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.6 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | I895 | V886-I895 PolarHBondContact N-O 2.78Å; V886-I895 PolarHBondContact O-N 3.39Å |
| 887 | V | 89.9 | Confident | 73 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129 | 170.7 | 171.7 | 0 | 0 | 0 | 0 | 109.1 | L829 F844 L846 S889 E893 L894 L915 | L829-V887 HydrophobicContact CD1-CG1 4.15Å; L829-V887 HydrophobicContact CD1-CG2 4.17Å; F844-V887 HydrophobicContact CB-CG1 3.8Å; L846-V887 HydrophobicContact CB-CB 4.31Å; L846-V887 HydrophobicContact CB-CG2 3.91Å; V887-S889 PolarHBondContact O-N 2.69Å; V887-E893 CarbonylContact C-O 3.56Å; V887-E893 WeakPolarHBondContact CA-O 3.38Å; V887-L894 HydrophobicContact CG2-CD1 3.56Å; V887-L915 HydrophobicContact CG2-CD2 4.17Å |
| 888 | V | 89.5 | Confident | 75.2 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | trans | -80 | 111.1 | 173.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | K890 T891 G892 E893 I895 | V888-K890 VanDerWaalsContact C-N 3.29Å; V888-K890 PolarHBondContact O-N 3.43Å; V888-K890 VanDerWaalsContact O-N 3.14Å; V888-T891 WeakPolarHBondContact CB-OG1 3.45Å; V888-T891 VanDerWaalsContact CG1-OG1 3.29Å; V888-T891 WeakPolarHBondContact CG1-OG1 3.25Å; V888-T891 PolarHBondContact O-N 2.59Å; V888-G892 PolarHBondContact O-N 3.07Å; V888-E893 HydrophobicContact CB-CB 4.06Å; V888-E893 HydrophobicContact CG2-CB 3.94Å; V888-E893 PolarHBondContact N-O 2.94Å; V888-I895 HydrophobicContact CG2-CD1 3.63Å; V888-I895 HydrophobicContact CG2-CG1 4.47Å | ||
| 889 | S | 89.5 | Confident | 77.2 | Confident | 62 Ų | 62 | 46 Ų | 46 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.6 | -163.8 | 58.8 | 0 | 0 | 0 | 0 | 115.6 | T843 F844 V887 | T843-S889 CarbonylContact C-O 3.59Å; T843-S889 VanDerWaalsContact CA-O 3.31Å; T843-S889 WeakPolarHBondContact CA-O 3.26Å; F844-S889 PolarHBondContact N-O 2.91Å; F844-S889 VanDerWaalsContact O-CA 3.25Å; F844-S889 WeakPolarHBondContact O-CA 3.2Å; F844-S889 WeakPolarHBondContact O-CB 3.29Å; V887-S889 PolarHBondContact O-N 2.69Å |
| 890 | K | 87.8 | Confident | 78.7 | Confident | 177 Ų | 177 | 48.3 Ų | 48.3 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -16.1 | 179.5 | -68.4 | -163.5 | 172.8 | -162.4 | 0 | 115.3 | V888 | V888-K890 VanDerWaalsContact C-N 3.29Å; V888-K890 PolarHBondContact O-N 3.43Å; V888-K890 VanDerWaalsContact O-N 3.14Å |
| 891 | T | 88.7 | Confident | 79.9 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -10.5 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | V828 V888 E893 | V828-T891 VanDerWaalsContact CG1-O 3.25Å; V828-T891 WeakPolarHBondContact CG1-O 3.37Å; V888-T891 WeakPolarHBondContact CB-OG1 3.45Å; V888-T891 VanDerWaalsContact CG1-OG1 3.29Å; V888-T891 WeakPolarHBondContact CG1-OG1 3.25Å; V888-T891 PolarHBondContact O-N 2.59Å; T891-E893 WeakPolarHBondContact CB-OE1 3.46Å; T891-E893 PolarHBondContact O-N 3.04Å; T891-E893 VanDerWaalsContact OG1-CD 3.23Å; T891-E893 WeakPolarHBondContact OG1-CG 3.29Å; T891-E893 PolarHBondContact OG1-OE1 2.8Å |
| 892 | G | 88.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | 73.1 | 3.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L829 V888 L894 | L829-G892 WeakPolarHBondContact CB-O 3.25Å; L829-G892 WeakPolarHBondContact CG-O 3.21Å; L829-G892 PolarHBondContact N-O 2.83Å; V888-G892 PolarHBondContact O-N 3.07Å; G892-L894 PolarHBondContact O-N 3.49Å; G892-L894 VanDerWaalsContact O-N 3.15Å | ||
| 893 | E | 90.8 | Very high | 81.5 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 116.9 | -179.7 | -70.5 | 162.1 | -123.8 | 0 | 0 | 111.3 | V828 V887 V888 T891 I895 | V828-E893 HydrophobicContact CG2-CG 4.39Å; V887-E893 CarbonylContact C-O 3.56Å; V887-E893 WeakPolarHBondContact CA-O 3.38Å; V888-E893 HydrophobicContact CB-CB 4.06Å; V888-E893 HydrophobicContact CG2-CB 3.94Å; V888-E893 PolarHBondContact N-O 2.94Å; T891-E893 WeakPolarHBondContact CB-OE1 3.46Å; T891-E893 PolarHBondContact O-N 3.04Å; T891-E893 VanDerWaalsContact OG1-CD 3.23Å; T891-E893 WeakPolarHBondContact OG1-CG 3.29Å; T891-E893 PolarHBondContact OG1-OE1 2.8Å; E893-I895 HydrophobicContact CB-CD1 4.49Å; E893-I895 HydrophobicContact CB-CG1 4.31Å |
| 894 | L | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.8 | 171.8 | -178.9 | 67.6 | 0 | 0 | 0 | 108.6 | I826 L827 F885 V887 G892 L913 L931 L933 | I826-L894 HydrophobicContact CB-CD2 4.38Å; I826-L894 HydrophobicContact CB-CG 4.38Å; I826-L894 WeakPolarHBondContact CB-O 3.26Å; I826-L894 HydrophobicContact CD1-CD2 4.48Å; I826-L894 HydrophobicContact CD1-CG 4.35Å; I826-L894 HydrophobicContact CG2-CD2 4.41Å; I826-L894 PolarHBondContact N-O 2.74Å; L827-L894 HydrophobicContact CD1-CB 3.81Å; L827-L894 HydrophobicContact CD1-CD2 4.15Å; L827-L894 HydrophobicContact CD2-CD2 4.31Å; L827-L894 HydrophobicContact CG-CB 4.08Å; L827-L894 HydrophobicContact CG-CD2 4Å; L827-L894 PolarHBondContact O-N 3.12Å; F885-L894 HydrophobicContact CB-CD1 4.07Å; F885-L894 HydrophobicContact CD1-CD1 4.45Å; V887-L894 HydrophobicContact CG2-CD1 3.56Å; G892-L894 PolarHBondContact O-N 3.49Å; G892-L894 VanDerWaalsContact O-N 3.15Å; L894-L913 HydrophobicContact CD1-CD2 3.8Å; L894-L913 HydrophobicContact CD2-CD2 3.85Å; L894-L913 HydrophobicContact CG-CD2 4.46Å; L894-L931 HydrophobicContact CD2-CD2 3.85Å; L894-L933 HydrophobicContact CD2-CD1 4.14Å |
| 895 | I | 88.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.9 | -172.9 | -57.7 | 176.7 | 0 | 0 | 0 | 109.9 | F885 V886 V888 E893 | F885-I895 CarbonylContact C-O 3.53Å; F885-I895 WeakPolarHBondContact CA-O 3.42Å; V886-I895 PolarHBondContact N-O 2.78Å; V886-I895 PolarHBondContact O-N 3.39Å; V888-I895 HydrophobicContact CG2-CD1 3.63Å; V888-I895 HydrophobicContact CG2-CG1 4.47Å; E893-I895 HydrophobicContact CB-CD1 4.49Å; E893-I895 HydrophobicContact CB-CG1 4.31Å |
| 896 | A | 86.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I820 G823 Q824 I826 L905 | I820-A896 HydrophobicContact CG2-CB 3.51Å; G823-A896 PolarHBondContact N-O 2.83Å; Q824-A896 PolarHBondContact O-N 3.23Å; I826-A896 HydrophobicContact CD1-CB 4.15Å; I826-A896 HydrophobicContact CG1-CB 4.33Å; A896-L905 HydrophobicContact CB-CD1 3.91Å; A896-L905 HydrophobicContact CB-CG 4.38Å |
| 897 | G | 83 | Confident | 79.5 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | trans | -84.9 | -177.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P883 Y884 G899 | P883-G897 CarbonylContact O-C 3.58Å; P883-G897 WeakPolarHBondContact O-CA 3.48Å; Y884-G897 PolarHBondContact O-N 2.87Å; G897-G899 PolarHBondContact O-N 3.5Å | ||
| 898 | P | 76 | Confident | 78.7 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -50.1 | -31.9 | 175.8 | -20.5 | 20.4 | 0 | 0 | 0 | 116.8 | R822 P883 G902 I903 G904 | R822-P898 HydrophobicContact CG-CG 4.29Å; P883-P898 HydrophobicContact CB-CG 4.19Å; P883-P898 HydrophobicContact CG-CB 4.1Å; P883-P898 HydrophobicContact CG-CG 3.76Å; P883-P898 VanDerWaalsContact O-CD 3.25Å; P883-P898 WeakPolarHBondContact O-CD 3.35Å; P898-G902 CarbonylContact O-C 3.56Å; P898-G902 WeakPolarHBondContact O-CA 3.32Å; P898-G902 PolarHBondContact O-N 3.5Å; P898-G902 VanDerWaalsContact O-N 3.12Å; P898-I903 PolarHBondContact O-N 2.91Å; P898-G904 PolarHBondContact O-N 2.99Å | ||
| 899 | G | 69.7 | Low | 78.1 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | 60.4 | -172.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P883 G897 K901 G902 | P883-G899 PolarHBondContact O-N 2.91Å; G897-G899 PolarHBondContact O-N 3.5Å; G899-K901 PolarHBondContact O-N 3.09Å; G899-G902 PolarHBondContact O-N 3.02Å | ||
| 900 | Q | 68.2 | Low | 77.7 | Confident | 117 Ų | 117 | 42 Ų | 42 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -31.4 | -176.7 | -81.1 | -180 | 12.8 | 0 | 0 | 113.9 | Y884 | Y884-Q900 VanDerWaalsContact OH-CD 3.28Å; Y884-Q900 VanDerWaalsContact OH-CG 3.32Å; Y884-Q900 WeakPolarHBondContact OH-CG 3.44Å; Y884-Q900 PolarHBondContact OH-NE2 2.61Å |
| 901 | K | 65.6 | Low | 77.5 | Confident | 114 Ų | 114 | 33.6 Ų | 33.6 | 50% | 0.496 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.9 | 179.4 | -52.7 | -164.6 | -163.5 | 69.4 | 0 | 114.1 | G899 I903 T906 D907 | G899-K901 PolarHBondContact O-N 3.09Å; K901-I903 HydrophobicContact CB-CG1 4.24Å; K901-I903 WeakPolarHBondContact O-CG1 3.41Å; K901-I903 PolarHBondContact O-N 2.57Å; K901-T906 WeakPolarHBondContact CD-OG1 2.75Å; K901-T906 PolarHBondContact NZ-O 3.27Å; K901-T906 PolarHBondContact NZ-OG1 2.87Å; K901-D907 IonicContact NZ-OD1 2.79Å; K901-D907 PolarHBondContact NZ-OD1 2.68Å; K901-D907 IonicContact NZ-OD2 2.64Å |
| 902 | G | 69.8 | Low | 77.4 | Confident | 39 Ų | 39 | 31 Ų | 31 | 40% | 0.402 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 77.9 | -13.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P898 G899 | P898-G902 CarbonylContact O-C 3.56Å; P898-G902 WeakPolarHBondContact O-CA 3.32Å; P898-G902 PolarHBondContact O-N 3.5Å; P898-G902 VanDerWaalsContact O-N 3.12Å; G899-G902 PolarHBondContact O-N 3.02Å |
| 903 | I | 66.2 | Low | 77.4 | Confident | 96 Ų | 96 | 31 Ų | 31 | 49% | 0.492 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -87.8 | -21.6 | -175 | -32.9 | -177.4 | 0 | 0 | 0 | 112.5 | Y821 R822 P898 K901 T906 | Y821-I903 HydrophobicContact CD1-CG2 4.29Å; R822-I903 PolarHBondContact N-O 2.7Å; P898-I903 PolarHBondContact O-N 2.91Å; K901-I903 HydrophobicContact CB-CG1 4.24Å; K901-I903 WeakPolarHBondContact O-CG1 3.41Å; K901-I903 PolarHBondContact O-N 2.57Å; I903-T906 HydrophobicContact CB-CG2 4.36Å |
| 904 | G | 71.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131 | -159.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I820 P898 T906 | I820-G904 CarbonylContact O-C 3.57Å; I820-G904 WeakPolarHBondContact O-CA 3.34Å; P898-G904 PolarHBondContact O-N 2.99Å; G904-T906 PolarHBondContact O-N 2.96Å |
| 905 | L | 74.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 92.2 | -179.4 | -67 | 162.7 | 0 | 0 | 0 | 109.9 | I816 I820 I826 Y884 F885 A896 Y911 | I816-L905 HydrophobicContact CD1-CD1 4.33Å; I820-L905 HydrophobicContact CB-CB 4.4Å; I820-L905 HydrophobicContact CB-CD1 4.17Å; I820-L905 HydrophobicContact CD1-CD1 4.47Å; I820-L905 HydrophobicContact CG2-CD1 4.38Å; I820-L905 PolarHBondContact O-N 2.88Å; I826-L905 HydrophobicContact CD1-CD1 3.99Å; Y884-L905 HydrophobicContact CD1-CD2 3.79Å; F885-L905 HydrophobicContact CE1-CD1 3.66Å; F885-L905 HydrophobicContact CE1-CD2 4.03Å; F885-L905 HydrophobicContact CE1-CG 4.47Å; F885-L905 HydrophobicContact CZ-CD1 4.19Å; F885-L905 HydrophobicContact CZ-CD2 3.8Å; A896-L905 HydrophobicContact CB-CD1 3.91Å; A896-L905 HydrophobicContact CB-CG 4.38Å; L905-Y911 HydrophobicContact CD2-CE1 4.21Å; L905-Y911 HydrophobicContact CD2-CE2 3.85Å |
| 906 | T | 65.9 | Low | 77.5 | Confident | 59 Ų | 59 | 30.2 Ų | 30.2 | 36% | 0.362 | 16% | 0.163 | S | C | . | . | trans | -119.9 | 9.6 | -177 | 63 | 0 | 0 | 0 | 0 | 113.4 | K901 I903 G904 | K901-T906 WeakPolarHBondContact CD-OG1 2.75Å; K901-T906 PolarHBondContact NZ-O 3.27Å; K901-T906 PolarHBondContact NZ-OG1 2.87Å; I903-T906 HydrophobicContact CB-CG2 4.36Å; G904-T906 PolarHBondContact O-N 2.96Å | ||
| 907 | D | 69 | Low | 77.9 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -113.4 | 119.7 | -176.4 | -58.9 | -59.9 | 0 | 0 | 0 | 109.2 | F851 K901 | F851-D907 HydrophobicContact CZ-CB 4.03Å; K901-D907 IonicContact NZ-OD1 2.79Å; K901-D907 PolarHBondContact NZ-OD1 2.68Å; K901-D907 IonicContact NZ-OD2 2.64Å |
| 908 | S | 72.7 | Confident | 78.3 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | trans | -81 | 125.3 | -174.6 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | N854 A935 | N854-S908 PolarHBondContact N-O 2.9Å; N854-S908 WeakPolarHBondContact ND2-CB 3.24Å; N854-S908 PolarHBondContact ND2-OG 2.83Å; S908-A935 WeakPolarHBondContact CA-O 3.19Å | ||
| 909 | G | 77.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -168.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L852 A935 | L852-G909 CarbonylContact O-C 3.57Å; L852-G909 WeakPolarHBondContact O-CA 3.46Å; G909-A935 PolarHBondContact N-O 3.15Å; G909-A935 PolarHBondContact O-N 2.85Å |
| 910 | I | 81.1 | Confident | 80 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.5 | 174.7 | -57.5 | 174.2 | 0 | 0 | 0 | 108.6 | L797 F851 L852 F932 L933 K934 | L797-I910 HydrophobicContact CD2-CD1 4.27Å; F851-I910 WeakPolarHBondContact CA-O 3.33Å; L852-I910 HydrophobicContact CB-CB 4.39Å; L852-I910 PolarHBondContact N-O 3.08Å; L852-I910 PolarHBondContact O-N 2.64Å; I910-F932 HydrophobicContact CG2-CB 4.32Å; I910-F932 HydrophobicContact CG2-CD1 4.11Å; I910-L933 CarbonylContact C-O 3.52Å; I910-L933 WeakPolarHBondContact CA-O 3.44Å; I910-K934 HydrophobicContact CG1-CB 4.25Å; I910-K934 HydrophobicContact CG1-CD 4.46Å; I910-K934 HydrophobicContact CG1-CG 4.04Å |
| 911 | Y | 84.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.6 | 168.2 | -57.2 | -92.3 | 0 | 0 | 0 | 108.9 | V849 H850 F851 Y884 F885 L905 F932 L933 A935 | V849-Y911 HydrophobicContact CG1-CD1 4.25Å; H850-Y911 CarbonylContact O-C 3.08Å; H850-Y911 VanDerWaalsContact O-CA 3.32Å; H850-Y911 WeakPolarHBondContact O-CA 3.49Å; F851-Y911 HydrophobicContact CB-CD1 4.12Å; F851-Y911 HydrophobicContact CB-CE1 4.29Å; F851-Y911 AromaticContact CD2-CD1 3.46Å; F851-Y911 HydrophobicContact CD2-CD1 3.46Å; F851-Y911 VanDerWaalsContact CD2-CD1 3.46Å; F851-Y911 HydrophobicContact CD2-CD2 4.16Å; F851-Y911 AromaticContact CD2-CE1 3.29Å; F851-Y911 HydrophobicContact CD2-CE1 3.29Å; F851-Y911 HydrophobicContact CD2-CE2 4.01Å; F851-Y911 AromaticContact CD2-CG 3.91Å; F851-Y911 HydrophobicContact CD2-CG 3.91Å; F851-Y911 AromaticContact CD2-CZ 3.59Å; F851-Y911 HydrophobicContact CE2-CD1 4.24Å; F851-Y911 HydrophobicContact CE2-CD2 4.32Å; F851-Y911 AromaticContact CE2-CE1 3.74Å; F851-Y911 HydrophobicContact CE2-CE1 3.74Å; F851-Y911 AromaticContact CE2-CE2 3.82Å; F851-Y911 HydrophobicContact CE2-CE2 3.82Å; F851-Y911 AromaticContact CE2-CZ 3.51Å; F851-Y911 HydrophobicContact CG-CD1 4.12Å; F851-Y911 AromaticContact CG-CE1 3.93Å; F851-Y911 HydrophobicContact CG-CE1 3.93Å; Y884-Y911 AromaticContact CD1-CE1 3.72Å; Y884-Y911 HydrophobicContact CD1-CE1 3.72Å; Y884-Y911 AromaticContact CD2-CE1 3.95Å; Y884-Y911 HydrophobicContact CD2-CE1 3.95Å; Y884-Y911 AromaticContact CE1-CE1 3.79Å; Y884-Y911 HydrophobicContact CE1-CE1 3.79Å; Y884-Y911 WeakPolarHBondContact CE1-OH 3.23Å; Y884-Y911 AromaticContact CE2-CE1 4Å; Y884-Y911 HydrophobicContact CE2-CE1 4Å; Y884-Y911 HydrophobicContact CG-CD1 4.48Å; Y884-Y911 AromaticContact CG-CE1 3.81Å; Y884-Y911 HydrophobicContact CG-CE1 3.81Å; Y884-Y911 AromaticContact CZ-CE1 3.91Å; F885-Y911 AromaticContact CE2-CD1 3.59Å; F885-Y911 HydrophobicContact CE2-CD1 3.59Å; F885-Y911 HydrophobicContact CE2-CD2 4.47Å; F885-Y911 HydrophobicContact CE2-CE1 4.26Å; F885-Y911 AromaticContact CE2-CG 3.71Å; F885-Y911 HydrophobicContact CE2-CG 3.71Å; F885-Y911 AromaticContact CZ-CD1 3.93Å; F885-Y911 HydrophobicContact CZ-CD1 3.93Å; F885-Y911 HydrophobicContact CZ-CD2 4Å; F885-Y911 HydrophobicContact CZ-CE1 4.43Å; F885-Y911 AromaticContact CZ-CG 3.68Å; F885-Y911 HydrophobicContact CZ-CG 3.68Å; L905-Y911 HydrophobicContact CD2-CE1 4.21Å; L905-Y911 HydrophobicContact CD2-CE2 3.85Å; Y911-F932 CarbonylContact O-C 3.08Å; Y911-F932 VanDerWaalsContact O-CA 3.31Å; Y911-F932 WeakPolarHBondContact O-CA 3.25Å; Y911-L933 PolarHBondContact N-O 2.75Å; Y911-L933 PolarHBondContact O-N 3.19Å; Y911-A935 HydrophobicContact CE2-CB 4.24Å |
| 912 | E | 86.4 | Confident | 81.6 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.9 | 172.7 | 174.2 | -173.2 | -158.3 | 0 | 0 | 107.6 | V849 H850 Y914 F932 | V849-E912 CarbonylContact C-O 3.51Å; V849-E912 WeakPolarHBondContact CA-O 3.14Å; H850-E912 HydrophobicContact CB-CB 4.2Å; H850-E912 PolarHBondContact N-O 3.02Å; H850-E912 PolarHBondContact O-N 3.14Å; E912-Y914 VanDerWaalsContact CD-CE2 3.46Å; E912-Y914 HydrophobicContact CG-CD2 4.27Å; E912-Y914 HydrophobicContact CG-CE2 3.62Å; E912-Y914 WeakPolarHBondContact OE1-CE2 3.33Å; E912-Y914 VanDerWaalsContact OE1-CZ 3.32Å; E912-Y914 PolarHBondContact OE1-OH 3.06Å; E912-F932 HydrophobicContact CB-CD1 3.83Å; E912-F932 HydrophobicContact CB-CE1 3.79Å; E912-F932 HydrophobicContact CG-CD1 4.03Å; E912-F932 HydrophobicContact CG-CE1 3.57Å; E912-F932 HydrophobicContact CG-CZ 4.25Å |
| 913 | L | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.9 | -177.1 | -70.6 | 72.2 | 0 | 0 | 0 | 109.1 | L846 V849 F885 L894 R930 L931 L933 | L846-L913 HydrophobicContact CD1-CB 4.11Å; L846-L913 HydrophobicContact CD1-CD2 4.14Å; L846-L913 HydrophobicContact CD1-CG 4.25Å; V849-L913 HydrophobicContact CG2-CG 4.47Å; F885-L913 HydrophobicContact CB-CD2 4.37Å; F885-L913 HydrophobicContact CD1-CD2 4.25Å; F885-L913 HydrophobicContact CD2-CD1 4.25Å; F885-L913 HydrophobicContact CD2-CD2 3.97Å; F885-L913 HydrophobicContact CD2-CG 4.14Å; F885-L913 HydrophobicContact CE2-CD1 3.9Å; F885-L913 HydrophobicContact CE2-CD2 4.35Å; F885-L913 HydrophobicContact CE2-CG 4.31Å; F885-L913 HydrophobicContact CG-CD2 3.93Å; F885-L913 HydrophobicContact CZ-CD1 4.24Å; L894-L913 HydrophobicContact CD1-CD2 3.8Å; L894-L913 HydrophobicContact CD2-CD2 3.85Å; L894-L913 HydrophobicContact CG-CD2 4.46Å; L913-R930 CarbonylContact O-C 3.55Å; L913-R930 VanDerWaalsContact O-CA 3.31Å; L913-R930 WeakPolarHBondContact O-CA 3.49Å; L913-L931 HydrophobicContact CB-CB 4.43Å; L913-L931 PolarHBondContact N-O 3.26Å; L913-L931 PolarHBondContact O-N 3.31Å; L913-L933 HydrophobicContact CD1-CD1 3.9Å; L913-L933 HydrophobicContact CD1-CG 3.96Å; L913-L933 HydrophobicContact CD2-CD1 4.11Å |
| 914 | Y | 89.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.5 | 170.7 | -75.3 | -96.2 | 0 | 0 | 0 | 109.5 | H801 I803 L805 V808 I847 K848 E912 R930 | H801-Y914 PolarHBondContact O-OH 3.29Å; I803-Y914 HydrophobicContact CD1-CD1 3.91Å; I803-Y914 HydrophobicContact CD1-CD2 3.57Å; I803-Y914 HydrophobicContact CD1-CE1 4.25Å; I803-Y914 HydrophobicContact CD1-CE2 3.95Å; I803-Y914 HydrophobicContact CD1-CG 3.56Å; L805-Y914 HydrophobicContact CD1-CD1 3.78Å; L805-Y914 HydrophobicContact CD1-CE1 4.45Å; V808-Y914 HydrophobicContact CG1-CD1 4.49Å; V808-Y914 HydrophobicContact CG1-CE1 4.39Å; I847-Y914 WeakPolarHBondContact CB-O 3.39Å; I847-Y914 PolarHBondContact N-O 3.33Å; K848-Y914 PolarHBondContact N-O 3.38Å; K848-Y914 PolarHBondContact O-N 3.38Å; E912-Y914 VanDerWaalsContact CD-CE2 3.46Å; E912-Y914 HydrophobicContact CG-CD2 4.27Å; E912-Y914 HydrophobicContact CG-CE2 3.62Å; E912-Y914 WeakPolarHBondContact OE1-CE2 3.33Å; E912-Y914 VanDerWaalsContact OE1-CZ 3.32Å; E912-Y914 PolarHBondContact OE1-OH 3.06Å; Y914-R930 HydrophobicContact CE1-CB 4.4Å |
| 915 | L | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153 | -167.7 | -62.4 | 169.3 | 0 | 0 | 0 | 110.6 | W779 L811 L829 Q845 L846 I847 V887 N928 A929 L931 | W779-L915 HydrophobicContact CH2-CB 3.72Å; W779-L915 HydrophobicContact CZ2-CB 4.07Å; L811-L915 HydrophobicContact CD1-CD1 3.8Å; L829-L915 HydrophobicContact CD1-CD1 3.88Å; L829-L915 HydrophobicContact CD1-CD2 3.87Å; L829-L915 HydrophobicContact CD1-CG 4.41Å; L829-L915 HydrophobicContact CD2-CD1 3.65Å; L829-L915 HydrophobicContact CG-CD1 4.44Å; Q845-L915 CarbonylContact O-C 3.49Å; Q845-L915 WeakPolarHBondContact O-CA 3.12Å; L846-L915 HydrophobicContact CB-CD2 4.49Å; L846-L915 HydrophobicContact CD1-CD2 3.69Å; I847-L915 WeakPolarHBondContact CD1-O 3.23Å; V887-L915 HydrophobicContact CG2-CD2 4.17Å; L915-N928 CarbonylContact O-C 3.53Å; L915-N928 WeakPolarHBondContact O-CA 3.25Å; L915-A929 PolarHBondContact N-O 2.84Å; L915-A929 PolarHBondContact O-N 3.01Å; L915-L931 HydrophobicContact CD1-CB 4.05Å; L915-L931 HydrophobicContact CD1-CD2 4.34Å |
| 916 | R | 92.1 | Very high | 85.2 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.1 | 172.1 | 178.2 | 173.8 | -66.2 | -150.2 | -17.9 | 110.1 | F844 Q845 I847 D926 N928 | F844-R916 CarbonylContact C-O 3.57Å; F844-R916 WeakPolarHBondContact CA-O 3.13Å; Q845-R916 HydrophobicContact CB-CB 4.31Å; Q845-R916 PolarHBondContact N-O 3.43Å; Q845-R916 PolarHBondContact O-N 3.21Å; I847-R916 HydrophobicContact CD1-CB 4.06Å; I847-R916 HydrophobicContact CG1-CB 4.08Å; R916-D926 WeakPolarHBondContact CD-OD2 3.31Å; R916-D926 HydrophobicContact CG-CB 4.21Å; R916-D926 IonicContact CZ-OD1 3.97Å; R916-D926 IonicContact CZ-OD2 3Å; R916-D926 IonicContact NE-OD2 3.99Å; R916-D926 PolarHBondContact NE-OD2 2.75Å; R916-D926 IonicContact NH1-OD1 3.88Å; R916-D926 IonicContact NH1-OD2 3Å; R916-D926 IonicContact NH2-OD1 3.78Å; R916-D926 IonicContact NH2-OD2 3.57Å; R916-D926 PolarHBondContact NH2-OD2 2.81Å; R916-D926 VanDerWaalsContact NH2-OD2 3.17Å; R916-N928 PolarHBondContact NE-OD1 2.85Å; R916-N928 PolarHBondContact NH2-OD1 3.48Å |
| 917 | V | 93 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.3 | 158.2 | 66.7 | 0 | 0 | 0 | 0 | 108 | P777 W779 A831 L842 T843 F844 D926 S927 | P777-V917 HydrophobicContact CB-CG1 3.82Å; P777-V917 HydrophobicContact CB-CG2 4.39Å; W779-V917 HydrophobicContact CD2-CG1 4.04Å; W779-V917 HydrophobicContact CG-CG1 4.44Å; W779-V917 HydrophobicContact CH2-CB 4.06Å; W779-V917 HydrophobicContact CH2-CG1 4.43Å; W779-V917 HydrophobicContact CZ2-CB 3.84Å; W779-V917 HydrophobicContact CZ2-CG1 3.83Å; A831-V917 HydrophobicContact CB-CB 4.38Å; A831-V917 HydrophobicContact CB-CG1 4.06Å; A831-V917 HydrophobicContact CB-CG2 3.98Å; L842-V917 HydrophobicContact CB-CG2 3.97Å; L842-V917 HydrophobicContact CD1-CG2 4.2Å; L842-V917 HydrophobicContact CD2-CG2 4.32Å; L842-V917 HydrophobicContact CG-CG2 4.4Å; T843-V917 CarbonylContact O-C 3.53Å; T843-V917 VanDerWaalsContact O-CA 3.27Å; T843-V917 WeakPolarHBondContact O-CA 2.98Å; F844-V917 HydrophobicContact CD1-CB 3.92Å; F844-V917 HydrophobicContact CD1-CG2 3.87Å; F844-V917 HydrophobicContact CE1-CB 3.93Å; F844-V917 HydrophobicContact CE1-CG2 3.63Å; F844-V917 HydrophobicContact CG-CG2 4.5Å; F844-V917 HydrophobicContact CZ-CG2 4.06Å; V917-D926 WeakPolarHBondContact O-CA 3.37Å; V917-S927 WeakPolarHBondContact CG1-OG 3.41Å; V917-S927 PolarHBondContact N-O 3.27Å; V917-S927 PolarHBondContact O-N 2.82Å |
| 918 | C | 92.7 | Very high | 87.5 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.3 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | L842 T843 L925 D926 | L842-C918 CarbonylContact C-O 3.58Å; T843-C918 PolarHBondContact N-O 2.87Å; T843-C918 PolarHBondContact O-N 2.65Å; T843-C918 PolarHBondContact OG1-O 2.99Å; C918-L925 WeakPolarHBondContact CA-O 3.49Å; C918-D926 HydrophobicContact CB-CB 4.05Å |
| 919 | D | 92.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -70.3 | -167.9 | 170.5 | 64.2 | 32.8 | 0 | 0 | 0 | 112.7 | N773 P777 N839 N841 L842 G921 P924 L925 | N773-D919 PolarHBondContact ND2-OD2 3.44Å; P777-D919 HydrophobicContact CG-CB 4.06Å; N839-D919 WeakPolarHBondContact O-CB 3.45Å; N841-D919 CarbonylContact O-C 3.59Å; N841-D919 VanDerWaalsContact O-CA 3.25Å; N841-D919 WeakPolarHBondContact O-CA 3.23Å; L842-D919 HydrophobicContact CD2-CB 4.46Å; D919-G921 PolarHBondContact OD1-N 2.76Å; D919-P924 WeakPolarHBondContact OD1-CA 3.04Å; D919-P924 WeakPolarHBondContact OD1-CB 3.29Å; D919-L925 PolarHBondContact N-O 2.93Å; D919-L925 VanDerWaalsContact N-O 3.08Å; D919-L925 PolarHBondContact OD1-N 3.32Å; D919-L925 VanDerWaalsContact OD1-N 3.09Å; D919-L925 WeakPolarHBondContact OD2-CA 3.1Å; D919-L925 VanDerWaalsContact OD2-CB 3.27Å; D919-L925 WeakPolarHBondContact OD2-CB 3.2Å; D919-L925 PolarHBondContact OD2-N 3.44Å | ||
| 920 | N | 87.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 32.6 Ų | 32.6 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -121 | 31.4 | 163.4 | -65.7 | -104.1 | 0 | 0 | 0 | 111.3 | H838 N841 | H838-N920 PolarHBondContact CD2-O 2.95Å; H838-N920 CarbonylContact O-C 3.56Å; N841-N920 HydrophobicContact CB-CB 4.39Å; N841-N920 PolarHBondContact O-N 2.79Å; N841-N920 PolarHBondContact O-ND2 2.9Å |
| 921 | G | 83.6 | Confident | 89.1 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | trans | -71.3 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N773 D919 P924 | N773-G921 WeakPolarHBondContact OD1-CA 3.49Å; D919-G921 PolarHBondContact OD1-N 2.76Å; G921-P924 WeakPolarHBondContact O-CD 3.07Å | ||
| 922 | N | 84.3 | Confident | 89.2 | Confident | 147 Ų | 147 | 31.7 Ų | 31.7 | 79% | 0.786 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -146.6 | 101.9 | 170.1 | -179.9 | 52 | 0 | 0 | 0 | 111.4 | ||
| 923 | P | 86.1 | Confident | 89.2 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 57% | 0.565 | 17% | 0.172 | S | C | * | . | S | Bend | cis | -71.1 | 142 | 2.7 | 31.3 | -35.4 | 0 | 0 | 0 | 111.9 | N773 | N773-P923 PolarHBondContact ND2-O 3.19Š|
| 924 | P | 88.9 | Confident | 88.9 | Confident | 77 Ų | 77 | 33.6 Ų | 33.6 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | trans | -75.9 | 141.6 | 177.8 | 30.7 | -34.7 | 0 | 0 | 0 | 112.1 | D919 G921 | D919-P924 WeakPolarHBondContact OD1-CA 3.04Å; D919-P924 WeakPolarHBondContact OD1-CB 3.29Å; G921-P924 WeakPolarHBondContact O-CD 3.07Å | ||
| 925 | L | 92.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 22% | 0.22 | 18% | 0.183 | C | C | . | . | trans | -112.7 | 140.3 | -175.8 | -55.9 | 171.6 | 0 | 0 | 0 | 110.5 | N773 N775 I776 C918 D919 | N773-L925 VanDerWaalsContact ND2-CD1 3.34Å; N773-L925 WeakPolarHBondContact ND2-CD1 3.36Å; N775-L925 WeakPolarHBondContact O-CD1 3.47Å; I776-L925 HydrophobicContact CG1-CB 4.23Å; I776-L925 HydrophobicContact CG1-CD1 4.01Å; I776-L925 HydrophobicContact CG2-CB 4.49Å; C918-L925 WeakPolarHBondContact CA-O 3.49Å; D919-L925 PolarHBondContact N-O 2.93Å; D919-L925 VanDerWaalsContact N-O 3.08Å; D919-L925 PolarHBondContact OD1-N 3.32Å; D919-L925 VanDerWaalsContact OD1-N 3.09Å; D919-L925 WeakPolarHBondContact OD2-CA 3.1Å; D919-L925 VanDerWaalsContact OD2-CB 3.27Å; D919-L925 WeakPolarHBondContact OD2-CB 3.2Å; D919-L925 PolarHBondContact OD2-N 3.44Å | ||
| 926 | D | 91.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.8 | -175.4 | 95.8 | -94.4 | 0 | 0 | 0 | 113.2 | R916 V917 C918 N928 | R916-D926 WeakPolarHBondContact CD-OD2 3.31Å; R916-D926 HydrophobicContact CG-CB 4.21Å; R916-D926 IonicContact CZ-OD1 3.97Å; R916-D926 IonicContact CZ-OD2 3Å; R916-D926 IonicContact NE-OD2 3.99Å; R916-D926 PolarHBondContact NE-OD2 2.75Å; R916-D926 IonicContact NH1-OD1 3.88Å; R916-D926 IonicContact NH1-OD2 3Å; R916-D926 IonicContact NH2-OD1 3.78Å; R916-D926 IonicContact NH2-OD2 3.57Å; R916-D926 PolarHBondContact NH2-OD2 2.81Å; R916-D926 VanDerWaalsContact NH2-OD2 3.17Å; V917-D926 WeakPolarHBondContact O-CA 3.37Å; C918-D926 HydrophobicContact CB-CB 4.05Å; D926-N928 PolarHBondContact OD2-ND2 3.19Å; D926-N928 PolarHBondContact OD2-OD1 3.23Å |
| 927 | S | 91.4 | Very high | 85.5 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.3 | 169.9 | 80.4 | 0 | 0 | 0 | 0 | 111.4 | P777 W779 V917 | P777-S927 VanDerWaalsContact O-CB 3.25Å; P777-S927 WeakPolarHBondContact O-CB 3.36Å; P777-S927 PolarHBondContact O-OG 3.48Å; W779-S927 PolarHBondContact NE1-O 3.38Å; W779-S927 VanDerWaalsContact NE1-O 3.08Å; W779-S927 PolarHBondContact NE1-OG 3.33Å; V917-S927 WeakPolarHBondContact CG1-OG 3.41Å; V917-S927 PolarHBondContact N-O 3.27Å; V917-S927 PolarHBondContact O-N 2.82Å |
| 928 | N | 91.7 | Very high | 83.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.3 | -169.6 | -58.7 | -98.6 | 0 | 0 | 0 | 109.9 | L805 V808 T809 I847 L915 R916 D926 | L805-N928 HydrophobicContact CD1-CB 4.3Å; V808-N928 CarbonylContact C-O 3.55Å; V808-N928 WeakPolarHBondContact CA-O 3.44Å; T809-N928 PolarHBondContact N-O 3.46Å; I847-N928 HydrophobicContact CD1-CB 4.43Å; I847-N928 WeakPolarHBondContact CD1-OD1 3.34Å; L915-N928 CarbonylContact O-C 3.53Å; L915-N928 WeakPolarHBondContact O-CA 3.25Å; R916-N928 PolarHBondContact NE-OD1 2.85Å; R916-N928 PolarHBondContact NH2-OD1 3.48Å; D926-N928 PolarHBondContact OD2-ND2 3.19Å; D926-N928 PolarHBondContact OD2-OD1 3.23Å |
| 929 | A | 89.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W779 V808 T809 L811 L915 | W779-A929 HydrophobicContact CD2-CB 3.71Å; W779-A929 HydrophobicContact CE3-CB 4.33Å; W779-A929 HydrophobicContact CG-CB 4.02Å; W779-A929 HydrophobicContact CH2-CB 4.34Å; W779-A929 HydrophobicContact CZ2-CB 3.68Å; V808-A929 VanDerWaalsContact CG1-C 3.48Å; T809-A929 CarbonylContact O-C 3.49Å; T809-A929 WeakPolarHBondContact O-CA 3.49Å; T809-A929 VanDerWaalsContact O-CB 3.27Å; T809-A929 WeakPolarHBondContact O-CB 3.17Å; L811-A929 HydrophobicContact CD1-CB 4.17Å; L811-A929 HydrophobicContact CD2-CB 3.96Å; L811-A929 HydrophobicContact CG-CB 3.93Å; L915-A929 PolarHBondContact N-O 2.84Å; L915-A929 PolarHBondContact O-N 3.01Å |
| 930 | R | 87.1 | Confident | 78.1 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 15% | 0.151 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.8 | 175.4 | 68.7 | -179.4 | -173.4 | 162.1 | 1.3 | 112.8 | V808 T809 E810 L811 L913 Y914 | V808-R930 HydrophobicContact CG1-CB 3.82Å; V808-R930 HydrophobicContact CG1-CG 3.93Å; T809-R930 PolarHBondContact O-N 3.03Å; E810-R930 HydrophobicContact CB-CG 4.24Å; E810-R930 HydrophobicContact CG-CG 4.21Å; E810-R930 IonicContact OE1-NH2 3.17Å; E810-R930 IonicContact OE2-CZ 2.68Å; E810-R930 IonicContact OE2-NE 3.76Å; E810-R930 PolarHBondContact OE2-NE 3.42Å; E810-R930 IonicContact OE2-NH2 3.33Å; E810-R930 PolarHBondContact OE2-NH2 2.85Å; L811-R930 PolarHBondContact N-O 2.84Å; L913-R930 CarbonylContact O-C 3.55Å; L913-R930 VanDerWaalsContact O-CA 3.31Å; L913-R930 WeakPolarHBondContact O-CA 3.49Å; Y914-R930 HydrophobicContact CE1-CB 4.4Å |
| 931 | L | 88.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.2 | -179 | 166.6 | 63.3 | 0 | 0 | 0 | 109.8 | I782 L811 L827 L894 L913 L915 L933 | I782-L931 HydrophobicContact CD1-CD1 3.88Å; I782-L931 HydrophobicContact CD1-CD2 4.5Å; L811-L931 HydrophobicContact CD1-CB 4.48Å; L827-L931 HydrophobicContact CD2-CD2 3.89Å; L894-L931 HydrophobicContact CD2-CD2 3.85Å; L913-L931 HydrophobicContact CB-CB 4.43Å; L913-L931 PolarHBondContact N-O 3.26Å; L913-L931 PolarHBondContact O-N 3.31Å; L915-L931 HydrophobicContact CD1-CB 4.05Å; L915-L931 HydrophobicContact CD1-CD2 4.34Å; L931-L933 HydrophobicContact CD1-CD2 4.11Å; L931-L933 HydrophobicContact CD2-CD2 4.08Å; L931-L933 HydrophobicContact CG-CD2 4.05Å; L931-L933 HydrophobicContact CG-CG 4.39Å |
| 932 | F | 86.3 | Confident | 73.3 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.7 | 173 | -59.3 | -86 | 0 | 0 | 0 | 111.5 | L797 G812 I813 M814 I910 Y911 E912 | L797-F932 HydrophobicContact CD2-CD1 3.94Å; L797-F932 HydrophobicContact CD2-CE1 3.93Å; L797-F932 HydrophobicContact CD2-CG 4.41Å; L797-F932 HydrophobicContact CD2-CZ 4.41Å; G812-F932 PolarHBondContact O-N 3.09Å; I813-F932 CarbonylContact C-O 3.59Å; I813-F932 WeakPolarHBondContact CA-O 3.4Å; I813-F932 HydrophobicContact CB-CB 4.26Å; I813-F932 HydrophobicContact CG1-CB 4.03Å; I813-F932 HydrophobicContact CG1-CD2 4.06Å; I813-F932 HydrophobicContact CG1-CG 4.4Å; I813-F932 HydrophobicContact CG2-CB 3.99Å; M814-F932 PolarHBondContact N-O 2.86Å; I910-F932 HydrophobicContact CG2-CB 4.32Å; I910-F932 HydrophobicContact CG2-CD1 4.11Å; Y911-F932 CarbonylContact O-C 3.08Å; Y911-F932 VanDerWaalsContact O-CA 3.31Å; Y911-F932 WeakPolarHBondContact O-CA 3.25Å; E912-F932 HydrophobicContact CB-CD1 3.83Å; E912-F932 HydrophobicContact CB-CE1 3.79Å; E912-F932 HydrophobicContact CG-CD1 4.03Å; E912-F932 HydrophobicContact CG-CE1 3.57Å; E912-F932 HydrophobicContact CG-CZ 4.25Å |
| 933 | L | 85.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.8 | 173.8 | -56.1 | -179.7 | 0 | 0 | 0 | 109.9 | M814 I816 I826 F885 L894 I910 Y911 L913 L931 | M814-L933 HydrophobicContact CB-CD2 3.77Å; M814-L933 HydrophobicContact CG-CD2 4.32Å; M814-L933 WeakPolarHBondContact O-CA 3.29Å; M814-L933 HydrophobicContact SD-CD2 4.14Å; I816-L933 HydrophobicContact CD1-CB 3.94Å; I816-L933 HydrophobicContact CD1-CD1 4.4Å; I826-L933 HydrophobicContact CD1-CD1 4.17Å; I826-L933 HydrophobicContact CG2-CD1 4.4Å; I826-L933 HydrophobicContact CG2-CD2 4.47Å; F885-L933 HydrophobicContact CD1-CD1 4.18Å; F885-L933 HydrophobicContact CE1-CD1 3.41Å; F885-L933 VanDerWaalsContact CE1-CD1 3.41Å; F885-L933 HydrophobicContact CZ-CD1 3.69Å; L894-L933 HydrophobicContact CD2-CD1 4.14Å; I910-L933 CarbonylContact C-O 3.52Å; I910-L933 WeakPolarHBondContact CA-O 3.44Å; Y911-L933 PolarHBondContact N-O 2.75Å; Y911-L933 PolarHBondContact O-N 3.19Å; L913-L933 HydrophobicContact CD1-CD1 3.9Å; L913-L933 HydrophobicContact CD1-CG 3.96Å; L913-L933 HydrophobicContact CD2-CD1 4.11Å; L931-L933 HydrophobicContact CD1-CD2 4.11Å; L931-L933 HydrophobicContact CD2-CD2 4.08Å; L931-L933 HydrophobicContact CG-CD2 4.05Å; L931-L933 HydrophobicContact CG-CG 4.39Å |
| 934 | K | 82.1 | Confident | 68.9 | Low | 47 Ų | 47 | 71.1 Ų | 71.1 | 20% | 0.204 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.9 | -175 | 179.4 | 177.1 | 170.8 | -161.3 | 0 | 111.7 | M814 I816 I910 H936 | M814-K934 PolarHBondContact O-N 2.74Å; I816-K934 PolarHBondContact N-O 3.48Å; I910-K934 HydrophobicContact CG1-CB 4.25Å; I910-K934 HydrophobicContact CG1-CD 4.46Å; I910-K934 HydrophobicContact CG1-CG 4.04Å; K934-H936 WeakPolarHBondContact CE-NE2 3.34Å |
| 935 | A | 77 | Confident | 66.5 | Low | 6 Ų | 6 | 75.2 Ų | 75.2 | 5% | 0.05 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I816 S908 G909 Y911 | I816-A935 HydrophobicContact CB-CB 4.43Å; S908-A935 WeakPolarHBondContact CA-O 3.19Å; G909-A935 PolarHBondContact N-O 3.15Å; G909-A935 PolarHBondContact O-N 2.85Å; Y911-A935 HydrophobicContact CE2-CB 4.24Å |
| 936 | H | 66.9 | Low | 64.1 | Low | 111 Ų | 111 | 81.7 Ų | 81.7 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 155.5 | 177 | -80.2 | -105.4 | 0 | 0 | 0 | 113 | I816 K934 | I816-H936 PolarHBondContact O-N 2.94Å; I816-H936 VanDerWaalsContact O-N 3.16Å; K934-H936 WeakPolarHBondContact CE-NE2 3.34Å |
| 937 | Q | 57 | Low | 61.5 | Low | 159 Ų | 159 | 89 Ų | 89 | 74% | 0.743 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 129.4 | -176.2 | -167.7 | 178.7 | 23.9 | 0 | 0 | 111.4 | ||
| 938 | S | 50.1 | Low | 58.9 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 124.9 | -177.6 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | N940 | S938-N940 PolarHBondContact O-N 2.9Š|
| 939 | L | 35.5 | Very low | 56.5 | Low | 162 Ų | 162 | 100.2 Ų | 100.2 | 85% | 0.848 | 55% | 0.547 | S | S | * | . | trans | -76.9 | 108.2 | 165.6 | -74.6 | 81.1 | 0 | 0 | 0 | 110.1 | ||||
| 940 | N | 38.4 | Very low | 54.3 | Low | 154 Ų | 154 | 110.5 Ų | 110.5 | 82% | 0.824 | 59% | 0.591 | S | S | * | * | trans | 179.6 | 91.7 | 141.1 | -95.9 | -31 | 0 | 0 | 0 | 112.3 | S938 A942 | S938-N940 PolarHBondContact O-N 2.9Å; N940-A942 PolarHBondContact O-N 3.2Å | ||
| 941 | S | 34.5 | Very low | 52.6 | Low | 132 Ų | 132 | 111.6 Ų | 111.6 | 92% | 0.923 | 62% | 0.615 | S | S | * | * | trans | -83.9 | 90.2 | 168.6 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 942 | A | 36.1 | Very low | 50.6 | Low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 65% | 0.649 | S | S | * | * | trans | -152.6 | -26.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | N940 | N940-A942 PolarHBondContact O-N 3.2Š| ||
| 943 | F | 36.3 | Very low | 49 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 90% | 0.899 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -105.1 | 5.8 | -163.1 | -101.7 | -89.2 | 0 | 0 | 0 | 116.6 | D945 | F943-D945 PolarHBondContact O-N 3.14Š|
| 944 | A | 40.2 | Very low | 47.7 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -21.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 945 | D | 39.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 13.7 | -158.6 | -76.3 | -29.3 | 0 | 0 | 0 | 116.7 | F943 | F943-D945 PolarHBondContact O-N 3.14Š|
| 946 | K | 40.8 | Very low | 44.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -124.3 | -8.5 | -164.8 | -124 | 177.2 | -176.3 | 175.3 | 0 | 121 | ||
| 947 | F | 38.1 | Very low | 44.3 | Very low | 215 Ų | 215 | 143 Ų | 143 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -144.2 | 89.3 | 173.3 | -82.7 | -75.4 | 0 | 0 | 0 | 112.7 | ||||
| 948 | G | 35.6 | Very low | 44.4 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -88.7 | 154.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113 | K950 | G948-K950 PolarHBondContact O-N 2.77Š| ||
| 949 | E | 41.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 47.7 | 53.3 | 153.8 | -55.7 | -162.9 | 148.2 | 0 | 0 | 119.9 | ||
| 950 | K | 43.3 | Very low | 44.9 | Very low | 216 Ų | 216 | 137.5 Ų | 137.5 | 94% | 0.939 | 77% | 0.766 | S | S | * | * | trans | -171.4 | 139.5 | 136.1 | -98.1 | 137.3 | -159.4 | 162.3 | 0 | 112.1 | G948 | G948-K950 PolarHBondContact O-N 2.77Š| ||
| 951 | G | 51.9 | Low | 45.8 | Very low | 62 Ų | 62 | 138.4 Ų | 138.4 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -90 | 157.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116 | L953 G954 | G951-L953 PolarHBondContact O-N 3.42Å; G951-G954 PolarHBondContact O-N 3.31Å | ||
| 952 | F | 47 | Very low | 47 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -48.5 | -29.3 | -177.9 | -175.3 | -110.5 | 0 | 0 | 0 | 115.8 | G954 Y955 L956 | F952-G954 PolarHBondContact O-N 2.81Å; F952-G954 VanDerWaalsContact O-N 3.14Å; F952-Y955 WeakPolarHBondContact O-CB 3.27Å; F952-Y955 PolarHBondContact O-N 2.92Å; F952-Y955 VanDerWaalsContact O-N 3.08Å; F952-L956 HydrophobicContact CE1-CD1 4Å; F952-L956 HydrophobicContact CZ-CD1 4.45Å |
| 953 | L | 51.8 | Low | 48.3 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -59.1 | -27.7 | -176.1 | -162.2 | 70 | 0 | 0 | 0 | 113.7 | G951 Y955 | G951-L953 PolarHBondContact O-N 3.42Å; L953-Y955 VanDerWaalsContact C-N 3.28Å; L953-Y955 PolarHBondContact O-N 2.88Å |
| 954 | G | 59.3 | Low | 49.9 | Very low | 53 Ų | 53 | 133 Ų | 133 | 55% | 0.546 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -71.5 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | G951 F952 | G951-G954 PolarHBondContact O-N 3.31Å; F952-G954 PolarHBondContact O-N 2.81Å; F952-G954 VanDerWaalsContact O-N 3.14Å |
| 955 | Y | 52.2 | Low | 51.4 | Low | 182 Ų | 182 | 134.4 Ų | 134.4 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -28.8 | -173.2 | -170 | -104.4 | 0 | 0 | 0 | 113.6 | F952 L953 T958 | F952-Y955 WeakPolarHBondContact O-CB 3.27Å; F952-Y955 PolarHBondContact O-N 2.92Å; F952-Y955 VanDerWaalsContact O-N 3.08Å; L953-Y955 VanDerWaalsContact C-N 3.28Å; L953-Y955 PolarHBondContact O-N 2.88Å; Y955-T958 PolarHBondContact O-OG1 3.07Å |
| 956 | L | 47.4 | Very low | 53 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -14.8 | -171.9 | -78.3 | 163.1 | 0 | 0 | 0 | 115 | F952 T958 | F952-L956 HydrophobicContact CE1-CD1 4Å; F952-L956 HydrophobicContact CZ-CD1 4.45Å; L956-T958 VanDerWaalsContact C-N 3.34Å; L956-T958 PolarHBondContact O-N 3.29Å |
| 957 | L | 53.7 | Low | 54.7 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 3.4 | -173.3 | -73.5 | 168.5 | 0 | 0 | 0 | 114.9 | ||
| 958 | T | 58.7 | Low | 56.6 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -108.9 | -6.3 | -163.5 | 54 | 0 | 0 | 0 | 0 | 116.1 | Y955 L956 | Y955-T958 PolarHBondContact O-OG1 3.07Å; L956-T958 VanDerWaalsContact C-N 3.34Å; L956-T958 PolarHBondContact O-N 3.29Å |
| 959 | N | 49.8 | Very low | 58.7 | Low | 139 Ų | 139 | 122.4 Ų | 122.4 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -132.8 | 97.1 | -174.7 | -75.6 | -79.3 | 0 | 0 | 0 | 112.4 | H961 | N959-H961 PolarHBondContact O-N 3.24Š| ||
| 960 | G | 47.1 | Very low | 60.6 | Low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -1.1 | -154.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 961 | H | 58 | Low | 62.5 | Low | 174 Ų | 174 | 112.9 Ų | 112.9 | 81% | 0.806 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -87.8 | -24.5 | -173.1 | -93.4 | -74.9 | 0 | 0 | 0 | 115.9 | N959 | N959-H961 PolarHBondContact O-N 3.24Å |
| 962 | L | 58.9 | Low | 64 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 80% | 0.796 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.8 | -33.9 | -177.1 | -130 | 73.4 | 0 | 0 | 0 | 113.1 | I964 L966 | L962-I964 PolarHBondContact O-N 2.63Å; L962-L966 PolarHBondContact O-N 2.97Å |
| 963 | G | 63.8 | Low | 65.7 | Low | 46 Ų | 46 | 111.2 Ų | 111.2 | 47% | 0.474 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.5 | -37.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L966 V967 | G963-L966 PolarHBondContact O-N 3.3Å; G963-V967 PolarHBondContact O-N 2.89Å |
| 964 | I | 68.6 | Low | 67.2 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 55% | 0.554 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.7 | -42 | -178.2 | -60.3 | 173.8 | 0 | 0 | 0 | 110.9 | L962 L966 V967 I968 | L962-I964 PolarHBondContact O-N 2.63Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.07Å; I964-V967 PolarHBondContact O-N 3.04Å; I964-I968 HydrophobicContact CG2-CD1 4.1Å; I964-I968 WeakPolarHBondContact O-CG1 3.43Å; I964-I968 PolarHBondContact O-N 3.08Å; I964-I968 VanDerWaalsContact O-N 3.14Å |
| 965 | M | 72 | Confident | 68.4 | Low | 125 Ų | 125 | 112 Ų | 112 | 62% | 0.616 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.9 | -39.8 | 176 | -75.3 | -64.2 | -158.5 | 0 | 0 | 112.2 | V967 I968 I969 | M965-V967 PolarHBondContact O-N 3.08Å; M965-I968 PolarHBondContact O-N 2.92Å; M965-I969 WeakPolarHBondContact O-CG1 3.27Å; M965-I969 PolarHBondContact O-N 2.77Å |
| 966 | L | 73 | Confident | 69.9 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.8 | -37.4 | -178.6 | -147.1 | 158.4 | 0 | 0 | 0 | 111.4 | L962 G963 I964 I969 L970 | L962-L966 PolarHBondContact O-N 2.97Å; G963-L966 PolarHBondContact O-N 3.3Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.07Å; L966-I969 PolarHBondContact O-N 3.09Å; L966-L970 HydrophobicContact CD2-CD1 3.8Å; L966-L970 HydrophobicContact CD2-CG 4.25Å; L966-L970 WeakPolarHBondContact O-CG 3.39Å; L966-L970 PolarHBondContact O-N 2.85Å; L966-L970 VanDerWaalsContact O-N 3.07Å |
| 967 | V | 76.4 | Confident | 71.5 | Confident | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.527 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -42.8 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | G963 I964 M965 I969 L970 L971 | G963-V967 PolarHBondContact O-N 2.89Å; I964-V967 PolarHBondContact O-N 3.04Å; M965-V967 PolarHBondContact O-N 3.08Å; V967-I969 VanDerWaalsContact C-N 3.34Å; V967-I969 PolarHBondContact O-N 2.82Å; V967-L970 PolarHBondContact O-N 3.05Å; V967-L971 HydrophobicContact CG1-CD1 4.15Å; V967-L971 WeakPolarHBondContact O-CG 3.33Å; V967-L971 PolarHBondContact O-N 2.85Å |
| 968 | I | 79.3 | Confident | 72.8 | Confident | 86 Ų | 86 | 102 Ų | 102 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -40.5 | 178.1 | -67 | 167.9 | 0 | 0 | 0 | 111.1 | I964 M965 L971 L972 | I964-I968 HydrophobicContact CG2-CD1 4.1Å; I964-I968 WeakPolarHBondContact O-CG1 3.43Å; I964-I968 PolarHBondContact O-N 3.08Å; I964-I968 VanDerWaalsContact O-N 3.14Å; M965-I968 PolarHBondContact O-N 2.92Å; I968-L971 PolarHBondContact O-N 3.19Å; I968-L972 HydrophobicContact CG2-CD1 4.37Å; I968-L972 PolarHBondContact O-N 2.83Å |
| 969 | I | 80.1 | Confident | 74 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 176.3 | -69.5 | 165.2 | 0 | 0 | 0 | 111.1 | M965 L966 V967 L971 L972 I973 | M965-I969 WeakPolarHBondContact O-CG1 3.27Å; M965-I969 PolarHBondContact O-N 2.77Å; L966-I969 PolarHBondContact O-N 3.09Å; V967-I969 VanDerWaalsContact C-N 3.34Å; V967-I969 PolarHBondContact O-N 2.82Å; I969-L971 PolarHBondContact O-N 2.93Å; I969-L972 PolarHBondContact O-N 2.88Å; I969-I973 HydrophobicContact CG2-CD1 3.91Å; I969-I973 WeakPolarHBondContact O-CG1 3.42Å; I969-I973 PolarHBondContact O-N 2.78Å |
| 970 | L | 80.8 | Confident | 75.5 | Confident | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.3 | -41 | 176.4 | -73.7 | 167.4 | 0 | 0 | 0 | 112.3 | L966 V967 I973 M974 | L966-L970 HydrophobicContact CD2-CD1 3.8Å; L966-L970 HydrophobicContact CD2-CG 4.25Å; L966-L970 WeakPolarHBondContact O-CG 3.39Å; L966-L970 PolarHBondContact O-N 2.85Å; L966-L970 VanDerWaalsContact O-N 3.07Å; V967-L970 PolarHBondContact O-N 3.05Å; L970-I973 PolarHBondContact O-N 2.89Å; L970-M974 WeakPolarHBondContact O-CG 3.43Å; L970-M974 PolarHBondContact O-N 2.82Å |
| 971 | L | 83.2 | Confident | 77 | Confident | 108 Ų | 108 | 100.6 Ų | 100.6 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.1 | -39.4 | 175.5 | -71.6 | 169.2 | 0 | 0 | 0 | 112.4 | V967 I968 I969 M974 C975 | V967-L971 HydrophobicContact CG1-CD1 4.15Å; V967-L971 WeakPolarHBondContact O-CG 3.33Å; V967-L971 PolarHBondContact O-N 2.85Å; I968-L971 PolarHBondContact O-N 3.19Å; I969-L971 PolarHBondContact O-N 2.93Å; L971-M974 PolarHBondContact O-N 2.79Å; L971-C975 WeakPolarHBondContact O-CB 3Å; L971-C975 PolarHBondContact O-N 3.36Å |
| 972 | L | 83.3 | Confident | 78.1 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.6 | -87 | 163.8 | 0 | 0 | 0 | 112.3 | I968 I969 C975 L976 | I968-L972 HydrophobicContact CG2-CD1 4.37Å; I968-L972 PolarHBondContact O-N 2.83Å; I969-L972 PolarHBondContact O-N 2.88Å; L972-C975 PolarHBondContact O-N 3.16Å; L972-L976 WeakPolarHBondContact O-CG 3.49Å; L972-L976 PolarHBondContact O-N 2.98Å |
| 973 | I | 83.1 | Confident | 79 | Confident | 90 Ų | 90 | 94.5 Ų | 94.5 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.4 | -68.4 | 165.1 | 0 | 0 | 0 | 110.8 | I969 L970 C975 L976 T977 | I969-I973 HydrophobicContact CG2-CD1 3.91Å; I969-I973 WeakPolarHBondContact O-CG1 3.42Å; I969-I973 PolarHBondContact O-N 2.78Å; L970-I973 PolarHBondContact O-N 2.89Å; I973-C975 VanDerWaalsContact C-N 3.32Å; I973-C975 PolarHBondContact O-N 2.9Å; I973-L976 PolarHBondContact O-N 3.32Å; I973-T977 WeakPolarHBondContact O-CG2 3.27Å; I973-T977 PolarHBondContact O-N 3.45Å; I973-T977 PolarHBondContact O-OG1 3.19Å |
| 974 | M | 82.1 | Confident | 79.7 | Confident | 136 Ų | 136 | 95.8 Ų | 95.8 | 67% | 0.67 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -34.3 | 175.6 | -71.5 | -168.9 | 72.9 | 0 | 0 | 113.2 | L970 L971 T977 S978 | L970-M974 WeakPolarHBondContact O-CG 3.43Å; L970-M974 PolarHBondContact O-N 2.82Å; L971-M974 PolarHBondContact O-N 2.79Å; M974-T977 PolarHBondContact O-OG1 2.9Å; M974-S978 WeakPolarHBondContact O-CB 3.06Å; M974-S978 PolarHBondContact O-N 3.29Å |
| 975 | C | 84.5 | Confident | 80.1 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.3 | -45 | 175.7 | -162.9 | 0 | 0 | 0 | 0 | 111.3 | L971 L972 I973 S978 V979 | L971-C975 WeakPolarHBondContact O-CB 3Å; L971-C975 PolarHBondContact O-N 3.36Å; L972-C975 PolarHBondContact O-N 3.16Å; I973-C975 VanDerWaalsContact C-N 3.32Å; I973-C975 PolarHBondContact O-N 2.9Å; C975-S978 PolarHBondContact O-N 2.68Å; C975-V979 WeakPolarHBondContact O-CG2 3.25Å; C975-V979 PolarHBondContact O-N 2.91Å |
| 976 | L | 83.3 | Confident | 80.3 | Confident | 110 Ų | 110 | 95.8 Ų | 95.8 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 178 | -76.1 | 165.3 | 0 | 0 | 0 | 112.8 | L972 I973 S978 V979 C980 | L972-L976 WeakPolarHBondContact O-CG 3.49Å; L972-L976 PolarHBondContact O-N 2.98Å; I973-L976 PolarHBondContact O-N 3.32Å; L976-S978 VanDerWaalsContact C-N 3.34Å; L976-S978 PolarHBondContact O-N 3.33Å; L976-V979 PolarHBondContact O-N 3.19Å; L976-C980 PolarHBondContact O-N 2.8Å; L976-C980 PolarHBondContact O-SG 3Å; L976-C980 VanDerWaalsContact O-SG 3.37Å |
| 977 | T | 81.1 | Confident | 80.4 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 177.8 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | I973 M974 C980 L981 | I973-T977 WeakPolarHBondContact O-CG2 3.27Å; I973-T977 PolarHBondContact O-N 3.45Å; I973-T977 PolarHBondContact O-OG1 3.19Å; M974-T977 PolarHBondContact O-OG1 2.9Å; T977-C980 PolarHBondContact O-N 2.81Å; T977-L981 WeakPolarHBondContact O-CG 3.37Å; T977-L981 PolarHBondContact O-N 3.33Å |
| 978 | S | 81.5 | Confident | 80.3 | Confident | 62 Ų | 62 | 94.4 Ų | 94.4 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.3 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | M974 C975 L976 C980 L981 I982 | M974-S978 WeakPolarHBondContact O-CB 3.06Å; M974-S978 PolarHBondContact O-N 3.29Å; C975-S978 PolarHBondContact O-N 2.68Å; L976-S978 VanDerWaalsContact C-N 3.34Å; L976-S978 PolarHBondContact O-N 3.33Å; S978-C980 PolarHBondContact O-N 2.89Å; S978-L981 PolarHBondContact O-N 2.94Å; S978-I982 WeakPolarHBondContact O-CG1 3.36Å; S978-I982 PolarHBondContact O-N 2.74Å |
| 979 | V | 84 | Confident | 80 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | C975 L976 L981 I982 I983 | C975-V979 WeakPolarHBondContact O-CG2 3.25Å; C975-V979 PolarHBondContact O-N 2.91Å; L976-V979 PolarHBondContact O-N 3.19Å; V979-L981 PolarHBondContact O-N 3.47Å; V979-I982 PolarHBondContact O-N 2.96Å; V979-I983 HydrophobicContact CG1-CD1 3.95Å; V979-I983 WeakPolarHBondContact O-CG1 3.33Å; V979-I983 PolarHBondContact O-N 3Å |
| 980 | C | 80.8 | Confident | 79.5 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 51% | 0.507 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.9 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | L976 T977 S978 I982 I983 V984 | L976-C980 PolarHBondContact O-N 2.8Å; L976-C980 PolarHBondContact O-SG 3Å; L976-C980 VanDerWaalsContact O-SG 3.37Å; T977-C980 PolarHBondContact O-N 2.81Å; S978-C980 PolarHBondContact O-N 2.89Å; C980-I982 PolarHBondContact O-N 3.17Å; C980-I983 PolarHBondContact O-N 2.82Å; C980-V984 WeakPolarHBondContact O-CG2 3.21Å; C980-V984 PolarHBondContact O-N 2.9Å |
| 981 | L | 79.8 | Confident | 78.9 | Confident | 121 Ų | 121 | 107.7 Ų | 107.7 | 63% | 0.634 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 176.2 | -72.7 | 171.5 | 0 | 0 | 0 | 112.1 | T977 S978 V979 V984 F985 | T977-L981 WeakPolarHBondContact O-CG 3.37Å; T977-L981 PolarHBondContact O-N 3.33Å; S978-L981 PolarHBondContact O-N 2.94Å; V979-L981 PolarHBondContact O-N 3.47Å; L981-V984 PolarHBondContact O-N 2.88Å; L981-F985 WeakPolarHBondContact O-CB 3.44Å; L981-F985 PolarHBondContact O-N 2.81Å |
| 982 | I | 80.8 | Confident | 77.9 | Confident | 94 Ų | 94 | 105.3 Ų | 105.3 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.7 | -69.3 | 164.8 | 0 | 0 | 0 | 111.1 | S978 V979 C980 F985 I986 | S978-I982 WeakPolarHBondContact O-CG1 3.36Å; S978-I982 PolarHBondContact O-N 2.74Å; V979-I982 PolarHBondContact O-N 2.96Å; C980-I982 PolarHBondContact O-N 3.17Å; I982-F985 PolarHBondContact O-N 2.83Å; I982-I986 HydrophobicContact CG2-CD1 3.74Å; I982-I986 HydrophobicContact CG2-CG1 4.41Å; I982-I986 WeakPolarHBondContact O-CB 3.44Å; I982-I986 VanDerWaalsContact O-CG1 3.29Å; I982-I986 WeakPolarHBondContact O-CG1 3.37Å; I982-I986 PolarHBondContact O-N 3.38Å |
| 983 | I | 78.5 | Confident | 76.7 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.4 | -68.3 | 166.8 | 0 | 0 | 0 | 110.9 | V979 C980 I986 S987 | V979-I983 HydrophobicContact CG1-CD1 3.95Å; V979-I983 WeakPolarHBondContact O-CG1 3.33Å; V979-I983 PolarHBondContact O-N 3Å; C980-I983 PolarHBondContact O-N 2.82Å; I983-I986 PolarHBondContact O-N 2.92Å; I983-S987 WeakPolarHBondContact O-CB 3.46Å; I983-S987 PolarHBondContact O-N 2.83Å |
| 984 | V | 78.3 | Confident | 75.6 | Confident | 74 Ų | 74 | 107.3 Ų | 107.3 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | C980 L981 I986 S987 I988 | C980-V984 WeakPolarHBondContact O-CG2 3.21Å; C980-V984 PolarHBondContact O-N 2.9Å; L981-V984 PolarHBondContact O-N 2.88Å; V984-I986 PolarHBondContact O-N 2.8Å; V984-S987 PolarHBondContact O-N 3.18Å; V984-S987 VanDerWaalsContact O-N 3.12Å; V984-S987 PolarHBondContact O-OG 2.77Å; V984-I988 HydrophobicContact CG1-CD1 3.71Å; V984-I988 HydrophobicContact CG1-CG1 4.41Å; V984-I988 WeakPolarHBondContact O-CG1 3.09Å; V984-I988 PolarHBondContact O-N 2.92Å |
| 985 | F | 75.8 | Confident | 74.3 | Confident | 145 Ų | 145 | 106 Ų | 106 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | -179.8 | -144.1 | -87 | 0 | 0 | 0 | 112.7 | L981 I982 S987 I988 R989 | L981-F985 WeakPolarHBondContact O-CB 3.44Å; L981-F985 PolarHBondContact O-N 2.81Å; I982-F985 PolarHBondContact O-N 2.83Å; F985-S987 VanDerWaalsContact C-N 3.34Å; F985-I988 PolarHBondContact O-N 2.99Å; F985-R989 VanDerWaalsContact O-CB 3.3Å; F985-R989 WeakPolarHBondContact O-CB 3.32Å; F985-R989 PolarHBondContact O-N 2.87Å |
| 986 | I | 77 | Confident | 72.8 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 45% | 0.451 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 173 | -70.1 | 168.3 | 0 | 0 | 0 | 110.8 | I982 I983 V984 R989 R990 | I982-I986 HydrophobicContact CG2-CD1 3.74Å; I982-I986 HydrophobicContact CG2-CG1 4.41Å; I982-I986 WeakPolarHBondContact O-CB 3.44Å; I982-I986 VanDerWaalsContact O-CG1 3.29Å; I982-I986 WeakPolarHBondContact O-CG1 3.37Å; I982-I986 PolarHBondContact O-N 3.38Å; I983-I986 PolarHBondContact O-N 2.92Å; V984-I986 PolarHBondContact O-N 2.8Å; I986-R989 PolarHBondContact O-N 2.86Å; I986-R990 VanDerWaalsContact O-CB 3.32Å; I986-R990 WeakPolarHBondContact O-CB 3.16Å; I986-R990 WeakPolarHBondContact O-CG 3.34Å; I986-R990 PolarHBondContact O-N 3.35Å |
| 987 | S | 75 | Confident | 71.4 | Confident | 64 Ų | 64 | 107.9 Ų | 107.9 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 178 | 80.7 | 0 | 0 | 0 | 0 | 112 | I983 V984 F985 R990 R991 | I983-S987 WeakPolarHBondContact O-CB 3.46Å; I983-S987 PolarHBondContact O-N 2.83Å; V984-S987 PolarHBondContact O-N 3.18Å; V984-S987 VanDerWaalsContact O-N 3.12Å; V984-S987 PolarHBondContact O-OG 2.77Å; F985-S987 VanDerWaalsContact C-N 3.34Å; S987-R990 PolarHBondContact O-N 2.85Å; S987-R991 WeakPolarHBondContact O-CB 3.33Å; S987-R991 PolarHBondContact O-N 3.05Å |
| 988 | I | 73.8 | Confident | 70.1 | Confident | 101 Ų | 101 | 109.8 Ų | 109.8 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.9 | -68.3 | 168.7 | 0 | 0 | 0 | 110.2 | V984 F985 R990 R991 S992 | V984-I988 HydrophobicContact CG1-CD1 3.71Å; V984-I988 HydrophobicContact CG1-CG1 4.41Å; V984-I988 WeakPolarHBondContact O-CG1 3.09Å; V984-I988 PolarHBondContact O-N 2.92Å; F985-I988 PolarHBondContact O-N 2.99Å; I988-R990 VanDerWaalsContact C-N 3.33Å; I988-R990 PolarHBondContact O-N 2.64Å; I988-R991 WeakPolarHBondContact O-CA 3.32Å; I988-R991 WeakPolarHBondContact O-CB 3.37Å; I988-R991 PolarHBondContact O-N 2.91Å; I988-S992 WeakPolarHBondContact O-CB 3.31Å; I988-S992 PolarHBondContact O-N 3.42Å |
| 989 | R | 73 | Confident | 68.6 | Low | 187 Ų | 187 | 112.9 Ų | 112.9 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -34.2 | 178.4 | -159.4 | 171 | -171.8 | 171.3 | 2.6 | 112.2 | F985 I986 S993 | F985-R989 VanDerWaalsContact O-CB 3.3Å; F985-R989 WeakPolarHBondContact O-CB 3.32Å; F985-R989 PolarHBondContact O-N 2.87Å; I986-R989 PolarHBondContact O-N 2.86Å; R989-S993 WeakPolarHBondContact O-CB 3.31Å; R989-S993 PolarHBondContact O-N 3.38Å |
| 990 | R | 69.3 | Low | 66.8 | Low | 176 Ų | 176 | 116.1 Ų | 116.1 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.6 | -32.9 | 169.2 | -79.3 | -179 | 170 | -175.7 | -2.1 | 112.9 | I986 S987 I988 R994 | I986-R990 VanDerWaalsContact O-CB 3.32Å; I986-R990 WeakPolarHBondContact O-CB 3.16Å; I986-R990 WeakPolarHBondContact O-CG 3.34Å; I986-R990 PolarHBondContact O-N 3.35Å; S987-R990 PolarHBondContact O-N 2.85Å; I988-R990 VanDerWaalsContact C-N 3.33Å; I988-R990 PolarHBondContact O-N 2.64Å; R990-R994 VanDerWaalsContact O-CB 3.25Å; R990-R994 WeakPolarHBondContact O-CB 3.42Å; R990-R994 VanDerWaalsContact O-CG 3.27Å; R990-R994 WeakPolarHBondContact O-CG 3.37Å; R990-R994 PolarHBondContact O-N 3.12Å |
| 991 | R | 69.1 | Low | 65.4 | Low | 190 Ų | 190 | 120.3 Ų | 120.3 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70 | -46.2 | 175.5 | -149.9 | 172.7 | -167.4 | 175 | 2.2 | 110.8 | S987 I988 R994 Q995 | S987-R991 WeakPolarHBondContact O-CB 3.33Å; S987-R991 PolarHBondContact O-N 3.05Å; I988-R991 WeakPolarHBondContact O-CA 3.32Å; I988-R991 WeakPolarHBondContact O-CB 3.37Å; I988-R991 PolarHBondContact O-N 2.91Å; R991-R994 PolarHBondContact O-N 3.24Å; R991-Q995 WeakPolarHBondContact O-CB 3.45Å; R991-Q995 WeakPolarHBondContact O-CG 3.32Å; R991-Q995 PolarHBondContact O-N 2.83Å; R991-Q995 PolarHBondContact O-OE1 3.33Å |
| 992 | S | 62.3 | Low | 63.8 | Low | 58 Ų | 58 | 119.9 Ų | 119.9 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -48.8 | 172.3 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | I988 R994 Q995 Q996 | I988-S992 WeakPolarHBondContact O-CB 3.31Å; I988-S992 PolarHBondContact O-N 3.42Å; S992-R994 PolarHBondContact O-N 2.77Å; S992-Q995 CarbonylContact O-C 3.56Å; S992-Q995 PolarHBondContact O-N 3.13Å; S992-Q995 VanDerWaalsContact O-N 3.11Å; S992-Q996 PolarHBondContact O-N 3.22Å |
| 993 | S | 58.4 | Low | 62 | Low | 59 Ų | 59 | 118.4 Ų | 118.4 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -36.3 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | R989 Q996 Q997 | R989-S993 WeakPolarHBondContact O-CB 3.31Å; R989-S993 PolarHBondContact O-N 3.38Å; S993-Q996 PolarHBondContact O-N 3.38Å; S993-Q997 WeakPolarHBondContact O-CB 3.39Å; S993-Q997 PolarHBondContact O-N 3.42Å |
| 994 | R | 58.9 | Low | 60.3 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -36.3 | 170.4 | -79.1 | 179.3 | 173.3 | -172.7 | -2.4 | 112.4 | R990 R991 S992 Q997 Q998 | R990-R994 VanDerWaalsContact O-CB 3.25Å; R990-R994 WeakPolarHBondContact O-CB 3.42Å; R990-R994 VanDerWaalsContact O-CG 3.27Å; R990-R994 WeakPolarHBondContact O-CG 3.37Å; R990-R994 PolarHBondContact O-N 3.12Å; R991-R994 PolarHBondContact O-N 3.24Å; S992-R994 PolarHBondContact O-N 2.77Å; R994-Q997 PolarHBondContact O-N 2.79Å; R994-Q998 WeakPolarHBondContact O-CB 3.35Å; R994-Q998 VanDerWaalsContact O-CG 3.24Å; R994-Q998 WeakPolarHBondContact O-CG 3.46Å; R994-Q998 PolarHBondContact O-N 2.61Å |
| 995 | Q | 54.9 | Low | 58.6 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -39.4 | 173.6 | -77.8 | 172 | -54.2 | 0 | 0 | 111.6 | R991 S992 Q998 Q999 | R991-Q995 WeakPolarHBondContact O-CB 3.45Å; R991-Q995 WeakPolarHBondContact O-CG 3.32Å; R991-Q995 PolarHBondContact O-N 2.83Å; R991-Q995 PolarHBondContact O-OE1 3.33Å; S992-Q995 CarbonylContact O-C 3.56Å; S992-Q995 PolarHBondContact O-N 3.13Å; S992-Q995 VanDerWaalsContact O-N 3.11Å; Q995-Q998 CarbonylContact O-C 3.54Å; Q995-Q998 PolarHBondContact O-N 3.46Å; Q995-Q999 VanDerWaalsContact O-CB 3.3Å; Q995-Q999 WeakPolarHBondContact O-CB 3.14Å; Q995-Q999 VanDerWaalsContact O-CG 3.3Å; Q995-Q999 WeakPolarHBondContact O-CG 3.49Å; Q995-Q999 PolarHBondContact O-N 3.43Å |
| 996 | Q | 52.9 | Low | 57 | Low | 120 Ų | 120 | 124 Ų | 124 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.2 | -41 | 172.9 | -76.7 | -176.2 | -34.1 | 0 | 0 | 112.5 | S992 S993 Q998 Q999 Q1000 | S992-Q996 PolarHBondContact O-N 3.22Å; S993-Q996 PolarHBondContact O-N 3.38Å; Q996-Q998 VanDerWaalsContact C-N 3.33Å; Q996-Q998 PolarHBondContact O-N 2.81Å; Q996-Q999 PolarHBondContact O-N 2.82Å; Q996-Q1000 WeakPolarHBondContact O-CB 3.28Å; Q996-Q1000 PolarHBondContact O-N 3.23Å |
| 997 | Q | 53.6 | Low | 55 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 51% | 0.514 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.2 | -31.2 | 172.2 | -79.4 | -166.8 | -16.5 | 0 | 0 | 112.7 | S993 R994 R1001 | S993-Q997 WeakPolarHBondContact O-CB 3.39Å; S993-Q997 PolarHBondContact O-N 3.42Å; R994-Q997 PolarHBondContact O-N 2.79Å; Q997-R1001 WeakPolarHBondContact O-CB 3.34Å; Q997-R1001 WeakPolarHBondContact O-CG 3.49Å; Q997-R1001 PolarHBondContact O-N 3.48Å |
| 998 | Q | 54.2 | Low | 53.1 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 55% | 0.547 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.4 | -37.1 | 171.6 | -78.6 | 177.4 | -51 | 0 | 0 | 111.5 | R994 Q995 Q996 R1001 Q1002 | R994-Q998 WeakPolarHBondContact O-CB 3.35Å; R994-Q998 VanDerWaalsContact O-CG 3.24Å; R994-Q998 WeakPolarHBondContact O-CG 3.46Å; R994-Q998 PolarHBondContact O-N 2.61Å; Q995-Q998 CarbonylContact O-C 3.54Å; Q995-Q998 PolarHBondContact O-N 3.46Å; Q996-Q998 VanDerWaalsContact C-N 3.33Å; Q996-Q998 PolarHBondContact O-N 2.81Å; Q998-R1001 CarbonylContact O-C 3.54Å; Q998-R1001 VanDerWaalsContact O-C 3.31Å; Q998-R1001 PolarHBondContact O-N 2.84Å; Q998-Q1002 WeakPolarHBondContact O-CA 3.25Å; Q998-Q1002 WeakPolarHBondContact O-CB 3.4Å; Q998-Q1002 WeakPolarHBondContact O-CG 3.14Å; Q998-Q1002 PolarHBondContact O-N 2.99Å |
| 999 | Q | 50.4 | Low | 51.2 | Low | 128 Ų | 128 | 134.7 Ų | 134.7 | 60% | 0.598 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.9 | -40.4 | 175.2 | -78.1 | 174.6 | -27 | 0 | 0 | 111.8 | Q995 Q996 Q1002 A1003 | Q995-Q999 VanDerWaalsContact O-CB 3.3Å; Q995-Q999 WeakPolarHBondContact O-CB 3.14Å; Q995-Q999 VanDerWaalsContact O-CG 3.3Å; Q995-Q999 WeakPolarHBondContact O-CG 3.49Å; Q995-Q999 PolarHBondContact O-N 3.43Å; Q996-Q999 PolarHBondContact O-N 2.82Å; Q999-Q1002 CarbonylContact O-C 3.54Å; Q999-Q1002 PolarHBondContact O-N 2.79Å; Q999-Q1002 VanDerWaalsContact O-N 3.13Å; Q999-A1003 WeakPolarHBondContact O-CB 3.32Å; Q999-A1003 PolarHBondContact O-N 2.98Å |
| 1000 | Q | 47 | Very low | 49.3 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.8 | -38.8 | 170.6 | -76.6 | -176.7 | -33 | 0 | 0 | 112 | Q996 Q1002 A1003 S1004 | Q996-Q1000 WeakPolarHBondContact O-CB 3.28Å; Q996-Q1000 PolarHBondContact O-N 3.23Å; Q1000-Q1002 PolarHBondContact O-N 2.75Å; Q1000-A1003 PolarHBondContact O-N 3.07Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.35Å; Q1000-S1004 PolarHBondContact O-N 3.29Å; Q1000-S1004 PolarHBondContact O-OG 2.91Å |
| 1001 | R | 49.9 | Very low | 47.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.8 | -0.6 | 170 | -69.3 | 177.9 | 170.3 | -173.4 | -3.1 | 114.2 | Q997 Q998 S1004 R1005 | Q997-R1001 WeakPolarHBondContact O-CB 3.34Å; Q997-R1001 WeakPolarHBondContact O-CG 3.49Å; Q997-R1001 PolarHBondContact O-N 3.48Å; Q998-R1001 CarbonylContact O-C 3.54Å; Q998-R1001 VanDerWaalsContact O-C 3.31Å; Q998-R1001 PolarHBondContact O-N 2.84Å; R1001-S1004 WeakPolarHBondContact CA-OG 3.46Å; R1001-R1005 VanDerWaalsContact O-CB 3.22Å; R1001-R1005 WeakPolarHBondContact O-CB 3.37Å; R1001-R1005 VanDerWaalsContact O-CD 3.24Å; R1001-R1005 WeakPolarHBondContact O-CD 3.32Å; R1001-R1005 WeakPolarHBondContact O-CG 3.48Å |
| 1002 | Q | 47.1 | Very low | 45.9 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -106.7 | -27.2 | 169.6 | -81.4 | 172.5 | -27.3 | 0 | 0 | 111.1 | Q998 Q999 Q1000 R1005 K1006 | Q998-Q1002 WeakPolarHBondContact O-CA 3.25Å; Q998-Q1002 WeakPolarHBondContact O-CB 3.4Å; Q998-Q1002 WeakPolarHBondContact O-CG 3.14Å; Q998-Q1002 PolarHBondContact O-N 2.99Å; Q999-Q1002 CarbonylContact O-C 3.54Å; Q999-Q1002 PolarHBondContact O-N 2.79Å; Q999-Q1002 VanDerWaalsContact O-N 3.13Å; Q1000-Q1002 PolarHBondContact O-N 2.75Å; Q1002-R1005 CarbonylContact O-C 3.43Å; Q1002-R1005 VanDerWaalsContact O-C 3.26Å; Q1002-R1005 PolarHBondContact O-N 3.2Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.2Å; Q1002-K1006 VanDerWaalsContact O-CG 3.24Å; Q1002-K1006 WeakPolarHBondContact O-CG 3.35Å; Q1002-K1006 PolarHBondContact O-N 3.17Å |
| 1003 | A | 42.3 | Very low | 44.7 | Very low | 62 Ų | 62 | 139.4 Ų | 139.4 | 51% | 0.512 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.9 | -51.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q999 Q1000 R1005 K1006 L1007 | Q999-A1003 WeakPolarHBondContact O-CB 3.32Å; Q999-A1003 PolarHBondContact O-N 2.98Å; Q1000-A1003 PolarHBondContact O-N 3.07Å; A1003-R1005 PolarHBondContact O-N 2.9Å; A1003-R1005 VanDerWaalsContact O-N 3.11Å; A1003-K1006 PolarHBondContact O-N 3.1Å; A1003-K1006 VanDerWaalsContact O-N 3.14Å; A1003-L1007 PolarHBondContact O-N 2.65Å |
| 1004 | S | 43.4 | Very low | 43.5 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 12.5 | 171.6 | 59.8 | 0 | 0 | 0 | 0 | 114.8 | Q1000 R1001 | Q1000-S1004 WeakPolarHBondContact O-CB 3.35Å; Q1000-S1004 PolarHBondContact O-N 3.29Å; Q1000-S1004 PolarHBondContact O-OG 2.91Å; R1001-S1004 WeakPolarHBondContact CA-OG 3.46Å |
| 1005 | R | 43.5 | Very low | 42.4 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 21.9 | 164.8 | -63.1 | -179.2 | 173.3 | -178.5 | -7.3 | 113 | R1001 Q1002 A1003 L1007 | R1001-R1005 VanDerWaalsContact O-CB 3.22Å; R1001-R1005 WeakPolarHBondContact O-CB 3.37Å; R1001-R1005 VanDerWaalsContact O-CD 3.24Å; R1001-R1005 WeakPolarHBondContact O-CD 3.32Å; R1001-R1005 WeakPolarHBondContact O-CG 3.48Å; Q1002-R1005 CarbonylContact O-C 3.43Å; Q1002-R1005 VanDerWaalsContact O-C 3.26Å; Q1002-R1005 PolarHBondContact O-N 3.2Å; A1003-R1005 PolarHBondContact O-N 2.9Å; A1003-R1005 VanDerWaalsContact O-N 3.11Å; R1005-L1007 CarbonylContact C-O 3.5Å; R1005-L1007 VanDerWaalsContact CA-O 3.24Å; R1005-L1007 WeakPolarHBondContact CA-O 3.21Å |
| 1006 | K | 41.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -19 | 166.2 | -83.6 | -171.2 | 169.4 | -163.3 | 0 | 111.8 | Q1002 A1003 | Q1002-K1006 WeakPolarHBondContact O-CB 3.2Å; Q1002-K1006 VanDerWaalsContact O-CG 3.24Å; Q1002-K1006 WeakPolarHBondContact O-CG 3.35Å; Q1002-K1006 PolarHBondContact O-N 3.17Å; A1003-K1006 PolarHBondContact O-N 3.1Å; A1003-K1006 VanDerWaalsContact O-N 3.14Å |
| 1007 | L | 35.5 | Very low | 40.2 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -72.7 | 136 | 132 | -72.9 | 83.1 | 0 | 0 | 0 | 107.6 | A1003 R1005 | A1003-L1007 PolarHBondContact O-N 2.65Å; R1005-L1007 CarbonylContact C-O 3.5Å; R1005-L1007 VanDerWaalsContact CA-O 3.24Å; R1005-L1007 WeakPolarHBondContact CA-O 3.21Å |
| 1008 | L | 34 | Very low | 39.3 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 57.9 | 62.1 | -169.7 | -75.5 | 76.4 | 0 | 0 | 0 | 114.9 | ||
| 1009 | K | 35.3 | Very low | 38.1 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -155.7 | 39.4 | 144.5 | -122.1 | -176.1 | -176.5 | -154.5 | 0 | 118.8 | ||||
| 1010 | Y | 32.4 | Very low | 37.3 | Very low | 231 Ų | 231 | 152.8 Ų | 152.8 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | S | Bend | -105.9 | 145.7 | 127.4 | -98 | -103 | 0 | 0 | 0 | 105 | |||
| 1011 | D | 34.2 | Very low | 36.5 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | cis | -136.5 | 156.5 | -9.3 | 169 | 39.4 | 0 | 0 | 0 | 108.2 | ||||
| 1012 | K | 32.4 | Very low | 35.5 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -167.3 | 81.9 | 158.3 | -118.2 | 169.1 | -174.6 | 176.2 | 0 | 114.1 | ||||
| 1013 | N | 37.2 | Very low | 34.5 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -142.6 | 86.3 | 145.1 | -99 | -18.5 | 0 | 0 | 0 | 107.7 | ||||
| 1014 | S | 33.5 | Very low | 34 | Very low | 95 Ų | 95 | 157.3 Ų | 157.3 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | S | Bend | -151.3 | 107.6 | 106.6 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | |||
| 1015 | Y | 35.5 | Very low | 33.3 | Very low | 225 Ų | 225 | 158.3 Ų | 158.3 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 68.2 | 156.4 | 152.6 | -58.2 | -67.1 | 0 | 0 | 0 | 120.2 | ||||
| 1016 | P | 32.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 158.5 Ų | 158.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -120.2 | 148.6 | -150.3 | 39.6 | -26.4 | 0 | 0 | 0 | 115.3 | ||||
| 1017 | L | 29.4 | Very low | 32.1 | Very low | 182 Ų | 182 | 157.3 Ų | 157.3 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 127.5 | 160.6 | -92.6 | 161.9 | 0 | 0 | 0 | 110 | ||
| 1018 | H | 34.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139.9 | -176.1 | -120.8 | -88.4 | 0 | 0 | 0 | 111.5 | ||
| 1019 | L | 28.4 | Very low | 31.9 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 125.8 | 153.2 | -85.8 | 151.9 | 0 | 0 | 0 | 108.3 | ||
| 1020 | N | 33.8 | Very low | 31.6 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -177.7 | 162.7 | 141.9 | -90.8 | -12.5 | 0 | 0 | 0 | 108.4 | ||||
| 1021 | G | 29.3 | Very low | 31.7 | Very low | 69 Ų | 69 | 152.6 Ų | 152.6 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -100.5 | -156.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1022 | E | 29.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 81.4 | 105 | 177.1 | -56.6 | -166.2 | 119.5 | 0 | 0 | 117.8 | ||||
| 1023 | L | 26.4 | Very low | 31.3 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 46.9 | 95.8 | 131.8 | -85.6 | 138.1 | 0 | 0 | 0 | 119.1 | V1025 | L1023-V1025 HydrophobicContact CD2-CG2 3.96Š| ||
| 1024 | I | 31.2 | Very low | 30.9 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -125 | 143.4 | 137.6 | -59.9 | -177.9 | 0 | 0 | 0 | 107.2 | ||||
| 1025 | V | 29.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -116.6 | 173.9 | -174 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | L1023 | L1023-V1025 HydrophobicContact CD2-CG2 3.96Š| ||
| 1026 | E | 31 | Very low | 30.4 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 81 | 143.5 | -178.4 | -53.1 | 178.8 | -176.8 | 0 | 0 | 115 | ||||
| 1027 | E | 29.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -179 | 147.5 | -45.5 | -116.4 | -168.5 | -161.9 | 0 | 0 | 106.6 | ||||
| 1028 | N | 30 | Very low | 30.5 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 68 | 146.8 | 179.1 | -46.8 | -70 | 0 | 0 | 0 | 113.8 | ||||
| 1029 | I | 33.6 | Very low | 30.2 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | cis | -121 | 148.7 | 23.1 | -69.6 | 167.3 | 0 | 0 | 0 | 111.9 | ||||
| 1030 | N | 29.7 | Very low | 30.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 137.7 | 177.7 | -70.5 | -63.5 | 0 | 0 | 0 | 113.7 | ||||
| 1031 | L | 35.5 | Very low | 30.1 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | trans | -137.7 | 94.3 | 138.8 | -89.7 | 175.6 | 0 | 0 | 0 | 109.1 | ||||
| 1032 | G | 29.6 | Very low | 30.2 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 153.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1033 | G | 28.7 | Very low | 30.1 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | 96 | 134.7 | 50.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1034 | T | 28.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | cis | -155.5 | 138.5 | 8.2 | 40.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1035 | I | 28.5 | Very low | 30.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | 30.5 | 120.7 | 127.3 | -52 | 163.2 | 0 | 0 | 0 | 117.7 | |||||
| 1036 | S | 28.8 | Very low | 30.6 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | -173.1 | 136.7 | 121.3 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1037 | N | 30.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | 58.8 | 141.3 | 150.6 | -48.7 | -25.3 | 0 | 0 | 0 | 118.8 | ||||
| 1038 | Y | 35 | Very low | 30.5 | Very low | 228 Ų | 228 | 137.8 Ų | 137.8 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | cis | -134.3 | 165 | 16.9 | -85.6 | -92 | 0 | 0 | 0 | 112.7 | ||||
| 1039 | G | 28.2 | Very low | 30.5 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -151.6 | 152.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1040 | K | 32.1 | Very low | 30.3 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -150.3 | 106.3 | 162.9 | -84 | 177.6 | 178.1 | 172.8 | 0 | 106.2 | ||||
| 1041 | L | 28.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | 62.6 | 109.3 | 70.7 | -70.8 | 176.6 | 0 | 0 | 0 | 114.9 | |||||
| 1042 | Y | 30.5 | Very low | 30.1 | Very low | 241 Ų | 241 | 134.8 Ų | 134.8 | 95% | 0.945 | 76% | 0.761 | S | S | * | * | trans | -127.4 | 120.8 | 138.7 | -93.5 | -84.6 | 0 | 0 | 0 | 109.1 | ||||
| 1043 | H | 28.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -86.5 | 136.9 | 171.8 | -98.9 | -81 | 0 | 0 | 0 | 108.9 | ||||
| 1044 | S | 35.3 | Very low | 30.1 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 51% | 0.51 | 78% | 0.775 | S | S | . | * | 55.1 | 139.8 | 91.2 | 94.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1045 | P | 33.2 | Very low | 30.1 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | -132.7 | 151.3 | 82.2 | 40.3 | -30 | 0 | 0 | 0 | 112.1 | |||||
| 1046 | I | 28.7 | Very low | 30.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | 64.5 | 115.2 | 53.9 | -57.5 | 173.6 | 0 | 0 | 0 | 113.1 | |||||
| 1047 | I | 31.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -159.7 | 131.2 | 132.8 | -100.6 | 151.9 | 0 | 0 | 0 | 108.1 | ||||
| 1048 | N | 27.6 | Very low | 30.3 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -94.6 | 143.4 | 169.5 | -67 | -45 | 0 | 0 | 0 | 109.3 | ||||
| 1049 | T | 29.5 | Very low | 30.2 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -153.6 | 150.8 | 142.8 | 2.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1050 | I | 28.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -120 | 133.7 | 179.9 | -59.9 | 162.8 | 0 | 0 | 0 | 107.1 | ||||
| 1051 | C | 27.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | 177.5 | 163.1 | 140.4 | -101 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1052 | P | 34.9 | Very low | 30.3 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -102.6 | 167.6 | -169.6 | 39.9 | -35.2 | 0 | 0 | 0 | 114.3 | ||||
| 1053 | G | 28.5 | Very low | 30.5 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | 167.2 | 116.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1054 | D | 29.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 95% | 0.952 | 75% | 0.753 | S | S | * | * | trans | -38.1 | 162.8 | 171.8 | -49.3 | -49.2 | 0 | 0 | 0 | 119.7 | ||||
| 1055 | G | 29.5 | Very low | 30.3 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 130.8 | 83.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1056 | E | 30.2 | Very low | 30 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | 53.4 | 108.8 | 90.4 | -65.1 | -156.6 | 153.3 | 0 | 0 | 113.9 | |||||
| 1057 | S | 32.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 149.2 | 169.6 | 76.3 | 57.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1058 | L | 27.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | -165.1 | 165.5 | -11.3 | -120 | 170.6 | 0 | 0 | 0 | 109.8 | ||||
| 1059 | Y | 32.7 | Very low | 29.8 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 67.5 | 147.3 | 169.5 | -55 | -58.5 | 0 | 0 | 0 | 116.3 | ||||
| 1060 | K | 30.7 | Very low | 29.8 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -159.5 | 166.4 | 0.5 | -124.3 | -177 | 177.6 | 179.8 | 0 | 107 | ||||
| 1061 | W | 28.2 | Very low | 29.9 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | cis | -157.9 | 161.2 | -2.8 | -173.1 | 32.4 | 0 | 0 | 0 | 109.1 | P1063 | W1061-P1063 HydrophobicContact CH2-CB 4.36Å; W1061-P1063 HydrophobicContact CH2-CG 3.92Å; W1061-P1063 HydrophobicContact CZ2-CB 3.78Å; W1061-P1063 HydrophobicContact CZ2-CG 3.79Å; W1061-P1063 HydrophobicContact CZ3-CG 4.38Å | ||
| 1062 | N | 31.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -159.9 | 131.7 | 161.4 | -175.2 | 37.8 | 0 | 0 | 0 | 110 | ||||
| 1063 | P | 36.4 | Very low | 29.9 | Very low | 57 Ų | 57 | 137.3 Ų | 137.3 | 37% | 0.37 | 77% | 0.772 | S | S | . | * | trans | -113.8 | 133.3 | 175.6 | 36.7 | -27 | 0 | 0 | 0 | 114.7 | W1061 | W1061-P1063 HydrophobicContact CH2-CB 4.36Å; W1061-P1063 HydrophobicContact CH2-CG 3.92Å; W1061-P1063 HydrophobicContact CZ2-CB 3.78Å; W1061-P1063 HydrophobicContact CZ2-CG 3.79Å; W1061-P1063 HydrophobicContact CZ3-CG 4.38Å | ||
| 1064 | E | 32.2 | Very low | 30.2 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 59.8 | 137.6 | 145.8 | -67.3 | 153.4 | -148 | 0 | 0 | 119.8 | ||||
| 1065 | C | 26.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | cis | 78.8 | 101.1 | 30.2 | -60.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1066 | G | 26.7 | Very low | 31.2 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 140.5 | 122.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1067 | Y | 30 | Very low | 31.2 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 91% | 0.91 | 76% | 0.755 | S | S | * | * | trans | 33.7 | 105 | 141.6 | -62.1 | -83.4 | 0 | 0 | 0 | 121.9 | ||||
| 1068 | A | 27.3 | Very low | 31.2 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | 61.1 | 152.3 | 113.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1069 | M | 26.6 | Very low | 31.5 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | trans | 90 | 102 | 165.1 | -64.8 | -168.4 | 153.2 | 0 | 0 | 119.9 | ||||
| 1070 | G | 29.2 | Very low | 31.4 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 80.6 | 163.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1071 | N | 31.1 | Very low | 31.4 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -172.6 | 142.8 | -24.2 | -120 | 7.4 | 0 | 0 | 0 | 107.7 | ||||
| 1072 | F | 30.4 | Very low | 31.7 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | 64.8 | 143.9 | -178.2 | -43.1 | -77.5 | 0 | 0 | 0 | 115.2 | ||||
| 1073 | G | 30.9 | Very low | 31.6 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | -161.3 | 179.5 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1074 | P | 35 | Very low | 31.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -92.3 | 172 | -163.4 | 36.2 | -37.3 | 0 | 0 | 0 | 116.6 | ||||
| 1075 | P | 41.4 | Very low | 31.2 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | -109.2 | 171.4 | -169.1 | 41.8 | -36.2 | 0 | 0 | 0 | 116.2 | ||||
| 1076 | P | 38 | Very low | 31.5 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 142.9 | 148.4 | 36.1 | -27 | 0 | 0 | 0 | 110.8 | ||||
| 1077 | I | 30.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | cis | 77.2 | 140.6 | 30.4 | -51.1 | 177.6 | 0 | 0 | 0 | 113.2 | ||||
| 1078 | Y | 32.9 | Very low | 31.8 | Very low | 204 Ų | 204 | 134.4 Ų | 134.4 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 86.1 | 141.9 | 176.7 | -57.4 | -64.4 | 0 | 0 | 0 | 117.6 | ||||
| 1079 | N | 34.2 | Very low | 31.9 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | -159.6 | 176.9 | -23.5 | -148.6 | 0.4 | 0 | 0 | 0 | 113 | ||||
| 1080 | F | 29.2 | Very low | 32.3 | Very low | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -47.2 | 163.1 | 179.1 | -90.6 | -121.1 | 0 | 0 | 0 | 121 | ||||
| 1081 | C | 30.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 92.7 | 156.6 | 141.1 | -87.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1082 | A | 34.3 | Very low | 32.5 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 75.8 | 107.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1083 | L | 30.2 | Very low | 32.6 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | cis | 92.4 | 94.8 | 23.8 | -158.6 | 146.3 | 0 | 0 | 0 | 115.8 | ||||
| 1084 | N | 28.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 67.7 | 152.4 | 152.6 | -144.1 | -6.2 | 0 | 0 | 0 | 119.2 | ||||
| 1085 | T | 30.9 | Very low | 33 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 143.2 | -162.4 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1086 | T | 32.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -136.3 | 131.9 | 19.6 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1087 | L | 32.2 | Very low | 32.6 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -90.2 | 153.1 | 160 | -131.3 | 167.3 | 0 | 0 | 0 | 107.7 | ||||
| 1088 | D | 30.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 79.1 | 134.4 | 179.2 | -114.9 | 8.7 | 0 | 0 | 0 | 118 | ||
| 1089 | R | 31 | Very low | 32.6 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 82.7 | 162.1 | -56.2 | 173.1 | -168.8 | 178.4 | 2.4 | 119.4 | ||||
| 1090 | M | 34.8 | Very low | 32.4 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 99% | 0.985 | 76% | 0.764 | S | S | * | * | -107.8 | 127.5 | 119.2 | -79.4 | -165.8 | -78.5 | 0 | 0 | 108.6 | |||||
| 1091 | R | 31.4 | Very low | 32.5 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -145.7 | 139.8 | -165.6 | -159.7 | -171.1 | -159.3 | -165.7 | 6.8 | 109.8 | ||||
| 1092 | S | 31.7 | Very low | 32.5 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 50.3 | 122.5 | 155.2 | 58.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1093 | S | 32.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | -159 | 159.6 | 111.9 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1094 | H | 37.3 | Very low | 32 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 76.3 | 108.1 | 174.3 | -55.6 | -61.7 | 0 | 0 | 0 | 118.3 | ||||
| 1095 | T | 38 | Very low | 31.9 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | cis | 118 | 116.6 | 10.7 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1096 | D | 33.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 72.1 | 146.3 | 137.8 | -56.8 | -13.9 | 0 | 0 | 0 | 119.1 | ||||
| 1097 | S | 35.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -159.9 | 161.5 | -2.7 | 46 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1098 | D | 33.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 51.1 | 117.3 | 142.7 | -86.3 | -8.5 | 0 | 0 | 0 | 124.9 | ||||
| 1099 | K | 31.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | 70.3 | 136.2 | 121.8 | -65.4 | 167.5 | -173 | 139.9 | 0 | 122.6 | |||||
| 1100 | S | 28.8 | Very low | 32.2 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 60.5 | 129.2 | 155.1 | 55.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1101 | S | 31.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | -163 | 171.3 | 61.7 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1102 | S | 29.8 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | -92 | 153.3 | -177.2 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1103 | A | 27.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 80.3 | 158.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1104 | L | 27.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 73.1 | 116.6 | 172.2 | -59.2 | 165.5 | 0 | 0 | 0 | 114.7 | ||||
| 1105 | M | 27 | Very low | 32.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | 67 | 140 | 78.7 | -70.7 | -173.8 | 77.4 | 0 | 0 | 113.4 | |||||
| 1106 | S | 28.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | cis | -156.3 | 166 | -1.9 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1107 | T | 32.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | 169.6 | 136.5 | 98.7 | 34.4 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 1108 | E | 31.5 | Very low | 31.6 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | 79.7 | 111.6 | 48.1 | -72.7 | -160.9 | 166.3 | 0 | 0 | 116.4 | ||||
| 1109 | F | 32.9 | Very low | 31.5 | Very low | 205 Ų | 205 | 132.7 Ų | 132.7 | 90% | 0.899 | 73% | 0.733 | S | S | * | * | trans | -156.5 | 151.7 | 150.1 | -92.6 | -70.1 | 0 | 0 | 0 | 107.9 | ||||
| 1110 | P | 38.2 | Very low | 31.5 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | -141.6 | 164.2 | -112 | 37.8 | -17.6 | 0 | 0 | 0 | 118.9 | |||||
| 1111 | C | 27.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | 34.2 | 120.8 | 143.7 | -59.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1112 | S | 37 | Very low | 31.7 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | 171.5 | 157.7 | 115.8 | 41.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1113 | I | 34.5 | Very low | 31.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | cis | -168.2 | 150.1 | -43.5 | -113.2 | 162.9 | 0 | 0 | 0 | 107.7 | ||||
| 1114 | N | 35.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 141 Ų | 141 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | trans | 69.8 | 109.5 | 163.4 | -75.5 | 1.9 | 0 | 0 | 0 | 123.3 | ||||
| 1115 | H | 34.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 63% | 0.634 | 73% | 0.734 | S | S | * | * | 115.5 | 115.1 | 103.5 | -83.3 | -24 | 0 | 0 | 0 | 123 | |||||
| 1116 | Y | 33.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 84 | 130.5 | 131.4 | -82 | -57.4 | 0 | 0 | 0 | 123.6 | ||||
| 1117 | C | 29.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | 62.3 | 137 | 150.2 | -62.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1118 | E | 29.9 | Very low | 32 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -161.8 | 156.3 | -5.9 | -125.3 | 162.7 | -149 | 0 | 0 | 111.5 | ||||
| 1119 | E | 31.5 | Very low | 32 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | 52.1 | 143.3 | 152.3 | -52.1 | -118.5 | 139.9 | 0 | 0 | 121.1 | ||||
| 1120 | R | 30.9 | Very low | 31.8 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | cis | -154.6 | 164.1 | -19 | -107.1 | -161.9 | -151 | -122.7 | -9 | 108.1 | ||||
| 1121 | P | 36.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -135.7 | -157.2 | -133.4 | 38.8 | -17.7 | 0 | 0 | 0 | 114.7 | ||||
| 1122 | M | 30 | Very low | 31.4 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 81.9 | 134.3 | 155.7 | -76.6 | 170.5 | 167.9 | 0 | 0 | 117.4 | ||||
| 1123 | M | 32.8 | Very low | 31 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | cis | -131.2 | 138.1 | -4.7 | -65.4 | -159.7 | -175.3 | 0 | 0 | 108.9 | ||||
| 1124 | N | 28.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | 57.6 | 124.1 | 69.2 | -72.7 | 3.7 | 0 | 0 | 0 | 113.8 | |||||
| 1125 | G | 28 | Very low | 30.4 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -172.1 | -18.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | Q1127 | G1125-Q1127 PolarHBondContact O-N 2.88Š| ||
| 1126 | E | 30.8 | Very low | 30.5 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -71.8 | 120.8 | 176.4 | -71.7 | -171 | 130.4 | 0 | 0 | 112.2 | ||||
| 1127 | Q | 29.1 | Very low | 30.2 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -142.4 | 119.6 | 155.8 | -77.2 | -156.8 | -16.8 | 0 | 0 | 112.8 | G1125 | G1125-Q1127 PolarHBondContact O-N 2.88Š| ||
| 1128 | T | 30 | Very low | 29.9 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -76.5 | 136.3 | 167.6 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1129 | I | 30.2 | Very low | 29.8 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -129.7 | 137.6 | 159.9 | -66.9 | -174.3 | 0 | 0 | 0 | 109.8 | ||||
| 1130 | N | 28.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | -91.3 | -178.6 | -179 | -101 | -56.8 | 0 | 0 | 0 | 112 | ||||
| 1131 | Y | 28.6 | Very low | 29.7 | Very low | 218 Ų | 218 | 143.1 Ų | 143.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 73 | 140.2 | 172 | -39.4 | -76.2 | 0 | 0 | 0 | 113.9 | ||||
| 1132 | G | 28.8 | Very low | 29.4 | Very low | 60 Ų | 60 | 144.4 Ų | 144.4 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | cis | 132.7 | 150.8 | 5.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1133 | F | 28.5 | Very low | 29.6 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 147.7 | -174.8 | -59.2 | -86.5 | 0 | 0 | 0 | 115.8 | ||||
| 1134 | T | 28.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -165.4 | 132.3 | -39.5 | 16.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1135 | S | 29.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 63.2 | 173.1 | 153.7 | 80.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1136 | P | 36.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -129.1 | 158.5 | -24.8 | 20.6 | 1.5 | 0 | 0 | 0 | 114.8 | ||||
| 1137 | L | 26.8 | Very low | 29.5 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 37 | 104.6 | 137.8 | -56.2 | 167.7 | 0 | 0 | 0 | 120.1 | ||||
| 1138 | R | 24.4 | Very low | 29.6 | Very low | 245 Ų | 245 | 135 Ų | 135 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | -103.9 | 142.4 | 118.1 | -72.6 | -174.3 | 176.8 | -169.9 | 0.2 | 106.5 | |||||
| 1139 | T | 27 | Very low | 29.7 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | -134.4 | 142.8 | 12.1 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1140 | I | 28.2 | Very low | 29.7 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -113.7 | 128.2 | 152.1 | -63.6 | 176.2 | 0 | 0 | 0 | 106.7 | ||||
| 1141 | P | 32.9 | Very low | 30 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 120.6 | 169.9 | 30.8 | -31.2 | 0 | 0 | 0 | 109.7 | ||
| 1142 | N | 29.1 | Very low | 30 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 128 | 176.6 | -114 | 33.3 | 0 | 0 | 0 | 111 | ||
| 1143 | S | 34 | Very low | 30 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | S | Bend | -75.2 | 129.8 | 113.8 | 52.9 | 0 | 0 | 0 | 0 | 107.1 | |||
| 1144 | D | 28.7 | Very low | 30.1 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | S | Bend | cis | -99 | 168.2 | 11.6 | -54.5 | -62.6 | 0 | 0 | 0 | 114.8 | ||
| 1145 | G | 29.3 | Very low | 30.1 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 117.5 | 89.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1146 | L | 31 | Very low | 30.1 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -32.9 | 141.7 | 149.1 | -56.1 | 134.3 | 0 | 0 | 0 | 112.3 | ||||
| 1147 | G | 30.3 | Very low | 29.8 | Very low | 59 Ų | 59 | 139.6 Ų | 139.6 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 143.4 | 166.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1148 | F | 31.2 | Very low | 30 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 117.4 | 175.5 | -55.5 | -83.2 | 0 | 0 | 0 | 115.9 | ||||
| 1149 | K | 32.2 | Very low | 30.3 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 77.2 | 138.6 | 90.2 | -70.3 | -169.5 | -177.3 | -177.3 | 0 | 116.2 | |||||
| 1150 | N | 29.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -31.8 | 160.3 | 163.9 | -58.3 | 6.2 | 0 | 0 | 0 | 115.8 | ||||
| 1151 | P | 34.5 | Very low | 30.9 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -143.5 | -170.4 | 23.1 | 41.7 | -20.7 | 0 | 0 | 0 | 116.9 | ||||
| 1152 | S | 29.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 15.3 | 127.2 | 147.6 | 63.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1153 | S | 28.2 | Very low | 30.9 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 44.4 | 117.4 | 140.3 | 64.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1154 | Y | 30.9 | Very low | 30.8 | Very low | 226 Ų | 226 | 141.8 Ų | 141.8 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | -154.4 | 163.9 | 114.8 | -114.5 | -75.7 | 0 | 0 | 0 | 111.5 | |||||
| 1155 | T | 28.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 152.1 | -177.3 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1156 | E | 30.3 | Very low | 30.7 | Very low | 200 Ų | 200 | 145 Ų | 145 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -143.5 | 116 | 137.6 | -137.4 | 170.5 | -128.6 | 0 | 0 | 111.5 | ||||
| 1157 | T | 30.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -103.6 | 126.3 | 177.3 | 49.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1158 | C | 30.3 | Very low | 30.4 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | trans | -118.8 | 93.4 | 173 | -160.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1159 | L | 31.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -94 | 137.7 | 166.5 | -75.2 | 168 | 0 | 0 | 0 | 109.3 | ||||
| 1160 | I | 31.9 | Very low | 30 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -162.1 | 148.4 | 142.6 | -109 | 153 | 0 | 0 | 0 | 111.3 | ||||
| 1161 | P | 34.6 | Very low | 29.9 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 173.9 | -161.8 | 41.7 | -28.3 | 0 | 0 | 0 | 115.1 | ||||
| 1162 | K | 33.8 | Very low | 29.7 | Very low | 197 Ų | 197 | 149.5 Ų | 149.5 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | 179.9 | 147.5 | 126.9 | -99.9 | 159.6 | -174.6 | 175.7 | 0 | 117 | |||||
| 1163 | T | 28.1 | Very low | 29.7 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -40.7 | 143.6 | 165.1 | 49.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1164 | I | 33.6 | Very low | 29.8 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -175.3 | 121.2 | 137.8 | -90.7 | 146.3 | 0 | 0 | 0 | 104.3 | ||||
| 1165 | Q | 25.4 | Very low | 30 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 81.4 | 143.9 | 56.7 | -154.8 | 177.1 | 12.7 | 0 | 0 | 113.8 | |||||
| 1166 | S | 29.1 | Very low | 30 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 74.5 | 120.9 | -158.5 | 69.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1167 | E | 26 | Very low | 30.2 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | 72.2 | 102.1 | 54.2 | -68.8 | -171.6 | 154.3 | 0 | 0 | 114.1 | |||||
| 1168 | L | 30.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -170 | 122.7 | 131.3 | -109.1 | 152.4 | 0 | 0 | 0 | 111.6 | ||||
| 1169 | N | 25.8 | Very low | 30.1 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -76.3 | 137 | 163.3 | -80.1 | -29.2 | 0 | 0 | 0 | 109.3 | ||||
| 1170 | C | 29 | Very low | 30.1 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -128.6 | 109 | 160.6 | -89.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1171 | Q | 27.5 | Very low | 30.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 145.8 | 169.7 | -61 | 166.3 | -76.3 | 0 | 0 | 110.2 | ||||
| 1172 | L | 29.9 | Very low | 30.2 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -142 | 107.6 | 146.4 | -92.4 | 117.7 | 0 | 0 | 0 | 106.9 | ||||
| 1173 | H | 28.1 | Very low | 30 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 59.7 | 107.4 | 82.5 | -87.6 | -115.3 | 0 | 0 | 0 | 113.7 | |||||
| 1174 | M | 31.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -172 | 135.9 | 92.8 | -103.5 | -171.5 | -79.2 | 0 | 0 | 114.5 | |||||
| 1175 | N | 33.6 | Very low | 30.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 69.3 | 148.9 | 141 | -55.8 | -11.3 | 0 | 0 | 0 | 120.4 | ||||
| 1176 | V | 29 | Very low | 30.7 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | cis | -164.7 | 164.6 | -24.4 | 124 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1177 | A | 33.9 | Very low | 31 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 123.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1178 | V | 29 | Very low | 31.3 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | cis | 92.5 | 136.4 | 23.4 | -177.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1179 | S | 29.6 | Very low | 31.4 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | 80.5 | 131 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1180 | E | 32.6 | Very low | 31.6 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | cis | -166.1 | 161 | -21.2 | -115.6 | 153.1 | 138.5 | 0 | 0 | 109.3 | ||||
| 1181 | V | 33.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | 43.9 | 120.3 | 144.1 | 177.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1182 | D | 35 | Very low | 31.8 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | -120.6 | 146.8 | 70 | -96.1 | -43.8 | 0 | 0 | 0 | 117.3 | |||||
| 1183 | G | 30.3 | Very low | 31.8 | Very low | 75 Ų | 75 | 119.2 Ų | 119.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -152.3 | 118.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1184 | G | 33.8 | Very low | 32.1 | Very low | 75 Ų | 75 | 119.2 Ų | 119.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -172.1 | 104.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1185 | S | 33.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | cis | 84.1 | 146.8 | 40.8 | -159.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1186 | A | 34.4 | Very low | 32.3 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 70.5 | 138.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1187 | D | 35.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 120.9 Ų | 120.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -140.8 | 162.1 | -3.5 | -144.8 | -24.6 | 0 | 0 | 0 | 113.7 | ||||
| 1188 | S | 31.1 | Very low | 32.6 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 149.6 | 172.5 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1189 | G | 33.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -167.3 | 125.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1190 | Q | 29.5 | Very low | 33 | Very low | 205 Ų | 205 | 126.8 Ų | 126.8 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -115 | 148.5 | -175.7 | -63 | 174 | -82 | 0 | 0 | 111.2 | ||||
| 1191 | G | 31.5 | Very low | 33 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 133.4 | 120.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1192 | A | 29.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | cis | 56.8 | 127.5 | 19.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1193 | S | 30.4 | Very low | 32.5 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -116.2 | -164.4 | 9.9 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1194 | E | 33.3 | Very low | 32.4 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -162 | 146 | 15.1 | -145.5 | 132.5 | -101.9 | 0 | 0 | 110.5 | ||||
| 1195 | E | 34.6 | Very low | 32.1 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 55.5 | 149.6 | 152.2 | -73.6 | 169.2 | -168.2 | 0 | 0 | 121.2 | ||||
| 1196 | E | 34.8 | Very low | 31.9 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -139.8 | 172.4 | 2.1 | -109.3 | -134.6 | 121.5 | 0 | 0 | 110.6 | ||||
| 1197 | P | 35 | Very low | 31.7 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -132.2 | -132.1 | -140.1 | 46 | -30.3 | 0 | 0 | 0 | 116 | ||||
| 1198 | V | 35.7 | Very low | 31.5 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 92.2 | 91.4 | 175.2 | -167 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1199 | N | 32.4 | Very low | 31.5 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -116.7 | 146.5 | 157.5 | -173.9 | 3.3 | 0 | 0 | 0 | 106.9 | ||||
| 1200 | H | 34.2 | Very low | 31.4 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -147.8 | 125.1 | 167.8 | -126.5 | -72.8 | 0 | 0 | 0 | 111.9 | ||||
| 1201 | D | 33.1 | Very low | 31.5 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | 45.9 | 111.8 | 169.2 | -56.5 | -46.6 | 0 | 0 | 0 | 119.4 | ||||
| 1202 | L | 29.4 | Very low | 31.7 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | 69 | 113.7 | 61.8 | -64.3 | 172.4 | 0 | 0 | 0 | 115.9 | |||||
| 1203 | S | 28.2 | Very low | 32 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 74.4 | 115.2 | 137.4 | 75.2 | 0 | 0 | 0 | 0 | 121.8 | F1205 | S1203-F1205 PolarHBondContact O-N 3.05Š| ||
| 1204 | K | 27.5 | Very low | 32 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | 31.2 | 79.2 | 130.8 | -60.8 | 178 | 177.6 | 172 | 0 | 119.7 | ||||
| 1205 | F | 27.9 | Very low | 32 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -146.4 | 126.7 | 143.2 | -92.8 | -84.6 | 0 | 0 | 0 | 109.3 | S1203 | S1203-F1205 PolarHBondContact O-N 3.05Š| ||
| 1206 | R | 28.1 | Very low | 32 | Very low | 215 Ų | 215 | 154 Ų | 154 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | cis | 99.9 | 73.8 | 19.8 | -163.7 | -162 | -167.1 | -172.8 | 6.6 | 115.1 | ||||
| 1207 | L | 31.5 | Very low | 31.9 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -146.8 | 149 | 153.3 | -80.4 | 107.8 | 0 | 0 | 0 | 110.9 | ||||
| 1208 | K | 30.2 | Very low | 31.8 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | cis | -166.2 | 131.4 | -27.7 | -108.7 | -163.5 | -165.3 | 168.3 | 0 | 108.4 | ||||
| 1209 | Y | 31.9 | Very low | 31.6 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | 65 | 147.9 | 141 | -72.9 | -130.8 | 0 | 0 | 0 | 118.5 | ||||
| 1210 | T | 31.3 | Very low | 31.7 | Very low | 101 Ų | 101 | 153.1 Ų | 153.1 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | cis | -162.3 | 137.4 | -11.7 | 14.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1211 | R | 30.3 | Very low | 31.6 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | 65.5 | 150.4 | 144.6 | -70.1 | 179.2 | 177.2 | -169.7 | -1.4 | 121.2 | ||||
| 1212 | P | 37.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -99 | 176.3 | 174.7 | 41.3 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 1213 | Y | 34.6 | Very low | 31.6 | Very low | 212 Ų | 212 | 153 Ų | 153 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | -171.6 | 156.9 | 123.5 | -114.9 | -82.3 | 0 | 0 | 0 | 114 | |||||
| 1214 | N | 31.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -52.3 | 160.7 | -168.3 | -53.5 | -13.9 | 0 | 0 | 0 | 121.6 | ||||
| 1215 | S | 32.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 65.2 | 125.2 | 131.8 | 64.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1216 | K | 34.2 | Very low | 31.9 | Very low | 166 Ų | 166 | 150 Ų | 150 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | -174.7 | 142.4 | 103.2 | -97.9 | 176.1 | 177.2 | -84.2 | 0 | 109.8 | |||||
| 1217 | E | 33.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | 50 | 133 | 95.1 | -57.5 | -177.7 | 132.7 | 0 | 0 | 114.2 | |||||
| 1218 | L | 32.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -161.3 | 152.5 | 5.3 | -150.5 | 75.9 | 0 | 0 | 0 | 113.1 | ||||
| 1219 | L | 32.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 68.6 | 146.7 | 144.1 | -119.3 | 68.4 | 0 | 0 | 0 | 124.4 | ||||
| 1220 | L | 32.6 | Very low | 32.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 91.5 | 103.8 | 150 | -71.1 | 170.2 | 0 | 0 | 0 | 123.2 | ||||
| 1221 | T | 32 | Very low | 32.6 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | 79.1 | 87.5 | 134.3 | 43.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1222 | K | 31.5 | Very low | 33 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 79.1 | 144.1 | 110 | -96.1 | -170.4 | 175.1 | -175.3 | 0 | 123 | |||||
| 1223 | T | 31.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | 73.8 | 88.4 | 152.4 | 38.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1224 | Q | 30 | Very low | 32.6 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | 55.3 | 107.3 | 123.4 | -69.8 | 174.8 | -41.2 | 0 | 0 | 119.2 | |||||
| 1225 | C | 29.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | trans | -147.1 | 146.8 | 152.6 | -90.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1226 | S | 31 | Very low | 32.7 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -86.4 | -177.4 | 153.6 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1227 | P | 36.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | cis | -125 | -166.3 | -48.8 | 37.1 | -21.4 | 0 | 0 | 0 | 110.4 | ||||
| 1228 | I | 31.4 | Very low | 32.5 | Very low | 154 Ų | 154 | 132 Ų | 132 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 65.7 | 132.8 | 161 | -60.4 | 164.8 | 0 | 0 | 0 | 117 | ||||
| 1229 | S | 31.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -149.6 | 98.5 | 158.9 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1230 | S | 33.6 | Very low | 33 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -139.6 | 81 | 158.3 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1231 | S | 34.4 | Very low | 33 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -91.3 | 128.1 | 180 | 56 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1232 | N | 37.6 | Very low | 33.2 | Very low | 174 Ų | 174 | 133 Ų | 133 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -166.1 | 131.8 | 141.6 | -97.2 | -24.9 | 0 | 0 | 0 | 109.6 | ||||
| 1233 | G | 29.7 | Very low | 33.4 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -153.4 | 118.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1234 | C | 34.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -150.4 | 113.2 | 163.8 | -88 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1235 | L | 32.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | 84.9 | 142.6 | 78.9 | -81.5 | 170.8 | 0 | 0 | 0 | 113.4 | |||||
| 1236 | I | 34.1 | Very low | 34.2 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 83.6 | 100.2 | 170.5 | -47.2 | -175.3 | 0 | 0 | 0 | 117.5 | ||||
| 1237 | D | 33.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | 43.1 | 126.2 | 132.4 | -49 | -25.7 | 0 | 0 | 0 | 123.3 | ||||
| 1238 | S | 30.1 | Very low | 34.1 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -68.4 | 157 | 158.2 | 64 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1239 | P | 38.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | -156.1 | 160.5 | 89.7 | 41 | -23.5 | 0 | 0 | 0 | 117.5 | |||||
| 1240 | T | 36.2 | Very low | 34.6 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 52 | 149.1 | 143.4 | 54.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1241 | N | 33.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | cis | 177.9 | 175 | -8.2 | 179.9 | 16.4 | 0 | 0 | 0 | 106.1 | ||||
| 1242 | K | 35.3 | Very low | 35 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 80.1 | 141.1 | 170.6 | -54.3 | -161.9 | 175 | -169.7 | 0 | 116.2 | ||||
| 1243 | N | 35.9 | Very low | 35 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | cis | -152.3 | 135.3 | -3.5 | -119.2 | 38.8 | 0 | 0 | 0 | 108.6 | ||||
| 1244 | E | 35.8 | Very low | 35.4 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 67% | 0.673 | 71% | 0.708 | S | S | * | * | 71.7 | 142.3 | 105.6 | -77.2 | -179.4 | -144.4 | 0 | 0 | 116.2 | |||||
| 1245 | N | 36.8 | Very low | 35.4 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | cis | -154.9 | 138.7 | 16.5 | -101.9 | -39.4 | 0 | 0 | 0 | 114.4 | ||||
| 1246 | H | 36.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | 45 | 162.2 | 128.7 | -76.2 | -94.7 | 0 | 0 | 0 | 123.4 | |||||
| 1247 | C | 32.7 | Very low | 35.8 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | cis | -153.5 | -176.7 | 18.9 | -146.9 | 0 | 0 | 0 | 0 | 115.3 | N1268 | C1247-N1268 PolarHBondContact O-ND2 3.23Š| ||
| 1248 | S | 32.8 | Very low | 36 | Very low | 56 Ų | 56 | 125.5 Ų | 125.5 | 39% | 0.392 | 69% | 0.692 | S | S | . | * | trans | -156.6 | 144.8 | -167.7 | 53.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1249 | I | 38.1 | Very low | 36.2 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | trans | -151.3 | 119.9 | 169 | -58 | -175.8 | 0 | 0 | 0 | 113.7 | ||||
| 1250 | N | 35.1 | Very low | 36.2 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | 29.7 | 167.4 | 128.4 | -44.5 | -15.8 | 0 | 0 | 0 | 122.4 | |||||
| 1251 | E | 37.6 | Very low | 36.4 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | cis | -143.3 | 158.1 | 20.7 | -69.3 | -174.3 | 138.7 | 0 | 0 | 116.2 | ||||
| 1252 | S | 38.2 | Very low | 36.5 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | 75.4 | 170 | 155.9 | 89.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1253 | I | 39 | Very low | 36.5 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | cis | -174.3 | 136.9 | -27.1 | -100.2 | 174.9 | 0 | 0 | 0 | 103.2 | ||||
| 1254 | L | 37.4 | Very low | 36.5 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | cis | -152.3 | -173.3 | -0.1 | -143.8 | 66.9 | 0 | 0 | 0 | 105.3 | ||||
| 1255 | C | 35.2 | Very low | 36.6 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | cis | -157.4 | -132.2 | 9.2 | -159.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1256 | T | 37.1 | Very low | 36.5 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 64% | 0.644 | 69% | 0.692 | S | S | * | * | trans | -74.2 | 153.2 | -177.3 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1257 | Q | 37.4 | Very low | 36.5 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | cis | -176 | 165.7 | -6.6 | -100.4 | 176.5 | -12.7 | 0 | 0 | 104.8 | ||||
| 1258 | T | 36 | Very low | 36.7 | Very low | 111 Ų | 111 | 123 Ų | 123 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | cis | -163.2 | 172.5 | -3.1 | 10.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1259 | T | 35.9 | Very low | 36.8 | Very low | 112 Ų | 112 | 126 Ų | 126 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | cis | -152.5 | 134.3 | 4.2 | 9.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1260 | L | 38.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | 61.1 | 142.5 | 96.5 | -88 | 79.7 | 0 | 0 | 0 | 117.6 | |||||
| 1261 | P | 40 | Very low | 36.5 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 62% | 0.623 | 69% | 0.686 | S | S | * | * | cis | -144 | 135 | -12.3 | 35.7 | -14.8 | 0 | 0 | 0 | 118.4 | ||||
| 1262 | T | 36 | Very low | 36.5 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | trans | 53.5 | 147.9 | 133.9 | 69 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1263 | M | 35.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 82% | 0.823 | 69% | 0.691 | S | S | * | * | cis | -157.5 | 170.6 | 40.9 | -75.7 | -171.6 | 178.2 | 0 | 0 | 111.7 | ||||
| 1264 | N | 36.6 | Very low | 36.1 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 56% | 0.561 | 69% | 0.691 | S | S | * | * | cis | -171.1 | 131.8 | -29.8 | -95.5 | -8.2 | 0 | 0 | 0 | 110.4 | ||||
| 1265 | T | 36.3 | Very low | 36 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 70% | 0.695 | S | S | * | * | trans | 65.3 | 158.8 | 145.7 | 64.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1266 | F | 35.3 | Very low | 35.8 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 74% | 0.737 | 70% | 0.702 | S | S | * | * | cis | -140.1 | 135 | 16.2 | -107.9 | -83.4 | 0 | 0 | 0 | 113 | ||||
| 1267 | T | 36.5 | Very low | 35.6 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 63% | 0.632 | 71% | 0.713 | S | S | * | * | trans | 35.2 | 143.7 | 140 | 59.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1268 | N | 35.9 | Very low | 35.3 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 46% | 0.46 | 71% | 0.708 | S | S | . | * | cis | -168.4 | 174.9 | 18.1 | -127.2 | 8.4 | 0 | 0 | 0 | 109.2 | C1247 | C1247-N1268 PolarHBondContact O-ND2 3.23Š| ||
| 1269 | H | 36 | Very low | 35.1 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 56% | 0.556 | 72% | 0.715 | S | S | * | * | cis | -156.9 | -165.4 | -9.4 | -146.1 | 16.2 | 0 | 0 | 0 | 105.9 | ||||
| 1270 | R | 32.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | cis | -137.7 | -110.2 | -0 | -170.4 | 167.3 | -177.7 | -173.2 | 0.8 | 111.8 | ||||
| 1271 | S | 35.5 | Very low | 34.5 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | trans | -175.6 | 173.3 | -162.8 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1272 | S | 36.4 | Very low | 34.2 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | cis | 173.8 | 154.7 | -44.9 | 65.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1273 | L | 34.3 | Very low | 34 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | trans | -178.9 | 157.2 | 146 | -106.1 | 164.2 | 0 | 0 | 0 | 113.3 | ||||
| 1274 | N | 34.8 | Very low | 33.8 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -165.5 | 128.3 | -179.6 | 178 | 1.7 | 0 | 0 | 0 | 109.7 | ||||
| 1275 | K | 35.2 | Very low | 33.4 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | 178.5 | 150.1 | 157.8 | -106.4 | 158.7 | -173.9 | 174.4 | 0 | 113.8 | ||||
| 1276 | Q | 31.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -84.8 | 150.2 | 161.6 | -61 | 165.3 | -36.7 | 0 | 0 | 110.2 | ||||
| 1277 | F | 32.2 | Very low | 32.7 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.873 | 73% | 0.73 | S | S | * | * | trans | -153.2 | 153.9 | 150.3 | -124.2 | -82.4 | 0 | 0 | 0 | 113.5 | ||||
| 1278 | I | 31 | Very low | 32.1 | Very low | 135 Ų | 135 | 142 Ų | 142 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -67.9 | 138.2 | -171.7 | -63.2 | 152.7 | 0 | 0 | 0 | 112.9 | ||||
| 1279 | Y | 32.3 | Very low | 31.6 | Very low | 216 Ų | 216 | 145 Ų | 145 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -152.6 | 122.5 | 131.1 | -110.1 | -71.1 | 0 | 0 | 0 | 111.7 | L1281 | Y1279-L1281 HydrophobicContact CD1-CD1 4.04Å; Y1279-L1281 HydrophobicContact CD1-CG 4.32Å; Y1279-L1281 HydrophobicContact CE1-CD1 3.98Å; Y1279-L1281 HydrophobicContact CE1-CG 4.48Å | ||
| 1280 | A | 28.8 | Very low | 31.1 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -132.5 | 125.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1281 | L | 33.2 | Very low | 31 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -140.5 | 138.9 | 176.1 | -82.9 | 167.9 | 0 | 0 | 0 | 109.2 | Y1279 | Y1279-L1281 HydrophobicContact CD1-CD1 4.04Å; Y1279-L1281 HydrophobicContact CD1-CG 4.32Å; Y1279-L1281 HydrophobicContact CE1-CD1 3.98Å; Y1279-L1281 HydrophobicContact CE1-CG 4.48Å | ||
| 1282 | H | 33.7 | Very low | 30.8 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 14.1 | 139.5 | 152.2 | -66.8 | -61.5 | 0 | 0 | 0 | 119.9 | ||||
| 1283 | N | 31.9 | Very low | 30.4 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | -169.2 | 162.4 | 15.1 | -119.1 | -16.6 | 0 | 0 | 0 | 112 | ||||
| 1284 | G | 31.3 | Very low | 30.3 | Very low | 64 Ų | 64 | 143.3 Ų | 143.3 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 118 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1285 | S | 27.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | cis | 73.2 | 138.8 | 26.3 | 106.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1286 | S | 29.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 77.7 | 98.7 | -168.8 | -162.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1287 | Q | 26.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | 66.7 | 125.9 | 74.8 | -77.8 | -159.4 | 41 | 0 | 0 | 115.1 | |||||
| 1288 | R | 24.5 | Very low | 29.6 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 68.7 | 153 | 155 | -62.7 | 170.8 | -164.6 | -135.9 | 4.1 | 115.3 | ||||
| 1289 | Q | 26.3 | Very low | 29.5 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | cis | -149.3 | 156.1 | -6 | -131.5 | 162.8 | -59.5 | 0 | 0 | 111.1 | ||||
| 1290 | S | 25.3 | Very low | 29.1 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 12.1 | 111.7 | 151.8 | 57 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1291 | L | 29.2 | Very low | 28.9 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | -141.2 | 123.2 | 124.2 | -90.1 | 126.5 | 0 | 0 | 0 | 105.7 | |||||
| 1292 | V | 31.8 | Very low | 28.7 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | 61.3 | 118 | 94.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1293 | S | 27.4 | Very low | 28.5 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | -168.9 | 142.5 | -9.7 | 45.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1294 | N | 31.7 | Very low | 28.5 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -157.5 | 135.7 | 158.1 | -95.5 | -33.4 | 0 | 0 | 0 | 110.9 | ||||
| 1295 | D | 31.6 | Very low | 28.4 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | -55.3 | 147.7 | 178.3 | -48.4 | -58 | 0 | 0 | 0 | 111.7 | L1297 | D1295-L1297 HydrophobicContact CB-CG 4.31Š| ||
| 1296 | I | 27.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | cis | 53.5 | 62.4 | 44.8 | -43.1 | -176.1 | 0 | 0 | 0 | 112.9 | ||||
| 1297 | L | 26.1 | Very low | 28.8 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -131.7 | 97.7 | 161.1 | -75.4 | 179.1 | 0 | 0 | 0 | 113.6 | D1295 | D1295-L1297 HydrophobicContact CB-CG 4.31Š| ||
| 1298 | Q | 33.9 | Very low | 29.3 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | -67.3 | 162.2 | 121.5 | -67.6 | -171.6 | 4.8 | 0 | 0 | 108.4 | |||||
| 1299 | P | 30.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | cis | -136.8 | -156.4 | -3.2 | 24.8 | 1.8 | 0 | 0 | 0 | 111.9 | ||||
| 1300 | R | 22.9 | Very low | 29.9 | Very low | 202 Ų | 202 | 144 Ų | 144 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 76.8 | 134 | 133.8 | -100.1 | 177.1 | 178.4 | 172.5 | -0.2 | 120.6 | ||||
| 1301 | W | 24.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | 69.1 | 102.3 | 157.8 | -52.3 | 118.4 | 0 | 0 | 0 | 119.6 | K1303 | W1301-K1303 HydrophobicContact CE3-CD 4.48Å; W1301-K1303 HydrophobicContact CE3-CG 4.31Å; W1301-K1303 HydrophobicContact CZ3-CD 3.91Å; W1301-K1303 HydrophobicContact CZ3-CG 4.08Å | ||
| 1302 | R | 29.7 | Very low | 30.1 | Very low | 253 Ų | 253 | 143 Ų | 143 | 96% | 0.955 | 74% | 0.74 | S | S | * | * | -131.6 | 125.3 | 98.4 | -76.1 | -158.5 | 177.9 | -166.1 | 0.5 | 111.5 | |||||
| 1303 | K | 28.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | trans | -64.7 | 163.6 | 154.9 | -100.8 | 178.6 | 173.5 | 178.7 | 0 | 108.4 | W1301 | W1301-K1303 HydrophobicContact CE3-CD 4.48Å; W1301-K1303 HydrophobicContact CE3-CG 4.31Å; W1301-K1303 HydrophobicContact CZ3-CD 3.91Å; W1301-K1303 HydrophobicContact CZ3-CG 4.08Å | ||
| 1304 | P | 31.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -147.2 | 152.8 | 37.6 | 41.4 | -21.8 | 0 | 0 | 0 | 118.8 | ||||
| 1305 | L | 29.4 | Very low | 30 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | 68.1 | 138.5 | 150.5 | -57.5 | 158.6 | 0 | 0 | 0 | 117.1 | ||||
| 1306 | F | 35.1 | Very low | 30.2 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 77% | 0.772 | 74% | 0.744 | S | S | * | * | cis | -145.6 | 149.9 | 8.1 | -109.4 | -61.3 | 0 | 0 | 0 | 111.7 | ||||
| 1307 | S | 31.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 146.7 Ų | 146.7 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | trans | 13.2 | 143.8 | 146.8 | 49.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1308 | N | 36.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -158.8 | 138.7 | 13.3 | -103.3 | 1.4 | 0 | 0 | 0 | 108.7 | ||||
| 1309 | T | 32.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | 53 | 131.3 | 82.4 | 74 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1310 | D | 30.6 | Very low | 30.7 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | cis | -161.3 | 178.4 | -1 | -129 | -48.7 | 0 | 0 | 0 | 114.3 | ||||
| 1311 | L | 31.5 | Very low | 31.1 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -69.8 | 147.1 | 170.7 | -74 | 137.6 | 0 | 0 | 0 | 113.6 | ||||
| 1312 | G | 27.5 | Very low | 31.8 | Very low | 61 Ų | 61 | 143.3 Ų | 143.3 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | trans | 162.1 | 105.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1313 | H | 28.2 | Very low | 32 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | 83.1 | 150 | 84.6 | -90.6 | -60 | 0 | 0 | 0 | 114.3 | |||||
| 1314 | H | 32.4 | Very low | 32.1 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 73% | 0.731 | 71% | 0.714 | S | S | * | * | trans | 72.6 | 119.5 | -171.9 | -52 | -81 | 0 | 0 | 0 | 113.1 | ||||
| 1315 | N | 28.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | 64.4 | 103 | 53.2 | -59.2 | 4.5 | 0 | 0 | 0 | 112.2 | |||||
| 1316 | H | 34.8 | Very low | 32.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | -166.1 | 125.1 | 111.1 | -91.2 | -74.6 | 0 | 0 | 0 | 106.1 | |||||
| 1317 | L | 29.5 | Very low | 32 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 56% | 0.555 | 73% | 0.729 | S | S | * | * | 59.7 | 88.3 | 63.1 | -68.1 | 165.7 | 0 | 0 | 0 | 112.4 | |||||
| 1318 | F | 33.8 | Very low | 32 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 89% | 0.886 | 74% | 0.738 | S | S | * | * | -132.6 | 134.8 | 100.5 | -77.4 | -87.6 | 0 | 0 | 0 | 106.5 | |||||
| 1319 | D | 31.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 146 Ų | 146 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | cis | 71.1 | 136.9 | 45.6 | -50.9 | -32.3 | 0 | 0 | 0 | 111.1 | ||||
| 1320 | E | 33.9 | Very low | 31.7 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | cis | -154.6 | 161.5 | -2.2 | -117 | -159.9 | -143.8 | 0 | 0 | 106.5 | ||||
| 1321 | F | 32.2 | Very low | 31.9 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | cis | -159.8 | -179.4 | -9.5 | -130 | 5.2 | 0 | 0 | 0 | 108.7 | ||||
| 1322 | P | 39.4 | Very low | 31.9 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | trans | -105.7 | -169.5 | -166 | 42.8 | -38.7 | 0 | 0 | 0 | 114.8 | ||||
| 1323 | L | 33.7 | Very low | 31.9 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | -176.4 | 99.9 | 126.8 | -96.1 | 164.9 | 0 | 0 | 0 | 115.7 | |||||
| 1324 | T | 31.1 | Very low | 32.1 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | 39.1 | 119.4 | 134 | 61.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1325 | K | 31.8 | Very low | 32.1 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | 170.6 | 112.5 | 112.9 | -91.9 | 164.3 | -175.9 | 175.1 | 0 | 108.3 | |||||
| 1326 | I | 31.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | 54.2 | 98.7 | 71.4 | -53.2 | 175.2 | 0 | 0 | 0 | 112.7 | |||||
| 1327 | F | 31.1 | Very low | 32.8 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | -154.6 | 127.7 | 124.8 | -109.1 | -69.4 | 0 | 0 | 0 | 110.5 | |||||
| 1328 | T | 29.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 141.8 | 171.2 | 44.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1329 | K | 32.3 | Very low | 33.3 | Very low | 187 Ų | 187 | 148 Ų | 148 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -161.8 | 125.9 | 155.3 | -122.6 | 179 | -177.1 | -173.4 | 0 | 112.2 | ||||
| 1330 | N | 31.4 | Very low | 33.5 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -73.9 | 139.8 | 162.2 | -60.9 | -13.1 | 0 | 0 | 0 | 108.8 | ||||
| 1331 | H | 35.4 | Very low | 33.6 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 155.1 | 148.7 | -99.4 | -74.8 | 0 | 0 | 0 | 109.2 | ||||
| 1332 | S | 29.7 | Very low | 33.6 | Very low | 93 Ų | 93 | 153.6 Ų | 153.6 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | -114.8 | 173.1 | -172.2 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1333 | L | 29.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | 74.4 | 152 | 178 | -51.2 | 133.4 | 0 | 0 | 0 | 113.1 | ||||
| 1334 | T | 32.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -150.6 | 157.1 | 10.8 | -24.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1335 | L | 30.5 | Very low | 34.1 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -83.5 | 146 | 165.1 | -83.4 | 165 | 0 | 0 | 0 | 111.8 | ||||
| 1336 | P | 45.2 | Very low | 34.5 | Very low | 117 Ų | 117 | 152 Ų | 152 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -98.8 | 135.5 | 165.1 | 35.1 | -28.9 | 0 | 0 | 0 | 112.4 | ||||
| 1337 | L | 32.9 | Very low | 34.8 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -126 | 142.1 | 162 | -97.9 | 169.8 | 0 | 0 | 0 | 108.2 | ||||
| 1338 | N | 41.1 | Very low | 35.2 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -150.9 | 129.9 | 169.4 | -123.3 | -29.4 | 0 | 0 | 0 | 111.3 | ||||
| 1339 | N | 32.7 | Very low | 35.4 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -83.1 | 149.7 | -174.4 | -70 | -37 | 0 | 0 | 0 | 112.4 | ||||
| 1340 | K | 36.6 | Very low | 35.7 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -167.6 | 108 | 142.6 | -110.2 | 163.8 | -173.8 | 178.2 | 0 | 112.7 | ||||
| 1341 | T | 34.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -139.7 | 143.8 | 158.6 | 42.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1342 | F | 32.9 | Very low | 36 | Very low | 211 Ų | 211 | 141 Ų | 141 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -161.3 | 164.7 | 177.6 | -117.2 | -82.8 | 0 | 0 | 0 | 109.2 | ||||
| 1343 | I | 38.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 90.3 | 83.6 | 174.1 | -53.4 | 175.4 | 0 | 0 | 0 | 115.9 | ||||
| 1344 | T | 37.6 | Very low | 37 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 60.4 | 124 | 137.3 | 62.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1345 | G | 39.3 | Very low | 37.3 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -178.4 | 80.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1346 | N | 39 | Very low | 37.8 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -63.7 | 149.5 | 173.6 | -71.5 | 15.8 | 0 | 0 | 0 | 110.6 | ||||
| 1347 | N | 38.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | cis | -156.7 | -178.3 | 2.9 | -116.4 | 28.8 | 0 | 0 | 0 | 107.2 | ||||
| 1348 | D | 38.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | cis | -159 | -168.6 | 12.8 | -127.2 | -36.1 | 0 | 0 | 0 | 107.5 | ||||
| 1349 | F | 35.5 | Very low | 37.9 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 69% | 0.689 | 75% | 0.748 | S | S | * | * | cis | -146.4 | -99.4 | 11.4 | -168.4 | -132.9 | 0 | 0 | 0 | 114.7 | ||||
| 1350 | Q | 37.1 | Very low | 38 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | trans | -150.7 | 160.6 | -162.4 | -70.3 | -174.2 | 0.4 | 0 | 0 | 110.1 | ||||
| 1351 | Q | 36.7 | Very low | 37.8 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -166.1 | 148.1 | -3.5 | -118.4 | 170.2 | 23.1 | 0 | 0 | 112.4 | ||||
| 1352 | S | 36.3 | Very low | 37.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | 68.7 | 160.2 | 146.3 | 85.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1353 | H | 40.2 | Very low | 38 | Very low | 167 Ų | 167 | 140 Ų | 140 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | -155.7 | 142.5 | 5.7 | -121.7 | -47.2 | 0 | 0 | 0 | 111.6 | ||||
| 1354 | S | 39.6 | Very low | 38 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 53.2 | 146 | 148 | 57.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1355 | T | 40.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -171.2 | 131 | -15.5 | 27.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1356 | N | 40.5 | Very low | 38 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 50.4 | 162 | 144.4 | -100.7 | 1.2 | 0 | 0 | 0 | 122.9 | ||||
| 1357 | P | 42.4 | Very low | 37.9 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -133.6 | 152.7 | -8.4 | 38.1 | -20.6 | 0 | 0 | 0 | 117.2 | ||||
| 1358 | H | 41.1 | Very low | 37.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 58.5 | 126.2 | 142.1 | -84.5 | -78.6 | 0 | 0 | 0 | 125 | ||||
| 1359 | I | 37.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 93.6 | 108.4 | 142.3 | -63.2 | 160.8 | 0 | 0 | 0 | 118.6 | ||||
| 1360 | D | 35.9 | Very low | 38 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 48.4 | 101.4 | 149.7 | -57.7 | -7.5 | 0 | 0 | 0 | 121 | ||||
| 1361 | L | 32 | Very low | 38.1 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -134.2 | 164.9 | 151.6 | -101.1 | 170.6 | 0 | 0 | 0 | 108.8 | ||||
| 1362 | T | 36.7 | Very low | 38.2 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 73.4 | 137 | -178.1 | 78.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1363 | K | 35.7 | Very low | 38.3 | Very low | 270 Ų | 270 | 151.7 Ų | 151.7 | 100% | 1.174 | 81% | 0.805 | S | S | * | * | cis | -113.3 | 0 | -4.1 | -78.6 | -173.9 | 174.5 | -177.9 | 0 | 111 |
Retrieved 1,363 of 1,363 residues in 1748 ms
(Link to these results)