| 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 | 53.4 | Low | 58.3 | Low | 222 Ų | 222 | 117 Ų | 117 | 100% | 1.094 | 63% | 0.628 | S | S | * | * | 0 | -10.7 | 0 | -69.2 | 173.6 | 71.5 | 0 | 0 | 114.4 | |||||
| 2 | H | 58.4 | Low | 58.2 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 78% | 0.782 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.7 | -31.6 | -179.3 | -84.2 | -70.2 | 0 | 0 | 0 | 115.7 | V6 | H2-V6 WeakPolarHBondContact O-CG2 3.26Å; H2-V6 PolarHBondContact O-N 2.79Å |
| 3 | L | 55.3 | Low | 58.1 | Low | 148 Ų | 148 | 112.8 Ų | 112.8 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.3 | -38.9 | -179.8 | -106.1 | 85.9 | 0 | 0 | 0 | 113.5 | G5 V6 V7 | L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.34Å; L3-V6 PolarHBondContact O-N 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-N 3.08Å |
| 4 | I | 59.6 | Low | 57.7 | Low | 132 Ų | 132 | 109.1 Ų | 109.1 | 68% | 0.677 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.7 | -36.9 | -179 | -60.6 | 170.8 | 0 | 0 | 0 | 110.4 | L8 | I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 PolarHBondContact O-N 3.41Å |
| 5 | G | 58.2 | Low | 57.6 | Low | 33 Ų | 33 | 110.8 Ų | 110.8 | 34% | 0.34 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.8 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L3 L8 I9 | L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.34Å; G5-L8 PolarHBondContact O-N 2.84Å; G5-I9 WeakPolarHBondContact O-CD1 3.42Å; G5-I9 WeakPolarHBondContact O-CG1 3.38Å; G5-I9 PolarHBondContact O-N 3.18Å |
| 6 | V | 62.7 | Low | 57.2 | Low | 82 Ų | 82 | 109.1 Ų | 109.1 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.9 | -38.3 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | H2 L3 I9 L10 | H2-V6 WeakPolarHBondContact O-CG2 3.26Å; H2-V6 PolarHBondContact O-N 2.79Å; L3-V6 PolarHBondContact O-N 3.31Å; V6-I9 PolarHBondContact O-N 3.13Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 2.95Å; V6-L10 PolarHBondContact O-N 3.02Å |
| 7 | V | 60.4 | Low | 57 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 53% | 0.527 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.4 | -41 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L3 I9 L10 V11 | L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-N 3.08Å; V7-I9 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.4Å; V7-V11 HydrophobicContact CG1-CG2 4.31Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.07Å |
| 8 | L | 59.6 | Low | 57.1 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.1 | -40.2 | 175.4 | -140.9 | 87.2 | 0 | 0 | 0 | 111.7 | I4 G5 V11 V12 | I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 PolarHBondContact O-N 3.41Å; G5-L8 PolarHBondContact O-N 2.84Å; L8-V11 PolarHBondContact O-N 3.41Å; L8-V12 VanDerWaalsContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.05Å; L8-V12 PolarHBondContact O-N 2.9Å |
| 9 | I | 59.1 | Low | 57.7 | Low | 110 Ų | 110 | 113 Ų | 113 | 56% | 0.564 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68 | -40.8 | 177.8 | -69.2 | 164.8 | 0 | 0 | 0 | 111.3 | G5 V6 V7 V12 T13 | G5-I9 WeakPolarHBondContact O-CD1 3.42Å; G5-I9 WeakPolarHBondContact O-CG1 3.38Å; G5-I9 PolarHBondContact O-N 3.18Å; V6-I9 PolarHBondContact O-N 3.13Å; V7-I9 PolarHBondContact O-N 3.37Å; I9-V12 PolarHBondContact O-N 2.98Å; I9-T13 HydrophobicContact CG2-CG2 4.14Å; I9-T13 VanDerWaalsContact O-CB 3.27Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 VanDerWaalsContact O-CG2 3.23Å; I9-T13 WeakPolarHBondContact O-CG2 2.98Å; I9-T13 PolarHBondContact O-N 2.89Å; I9-T13 PolarHBondContact O-OG1 2.03Å |
| 10 | L | 57.3 | Low | 58.6 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 60% | 0.597 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 176 | -71.7 | 171.7 | 0 | 0 | 0 | 112.4 | V6 V7 T13 G14 | V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 2.95Å; V6-L10 PolarHBondContact O-N 3.02Å; V7-L10 PolarHBondContact O-N 3.4Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-OG1 2.86Å; L10-G14 PolarHBondContact O-N 3.24Å |
| 11 | V | 57.8 | Low | 59.6 | Low | 76 Ų | 76 | 112.8 Ų | 112.8 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.7 | -43.1 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V7 L8 G14 I15 | V7-V11 HydrophobicContact CG1-CG2 4.31Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 3.41Å; V11-G14 PolarHBondContact O-N 2.02Å; V11-I15 HydrophobicContact CG1-CD1 3.55Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 VanDerWaalsContact O-CD1 3.22Å; V11-I15 WeakPolarHBondContact O-CD1 3Å; V11-I15 WeakPolarHBondContact O-CG1 3.03Å; V11-I15 PolarHBondContact O-N 2.04Å |
| 12 | V | 57.3 | Low | 60.9 | Low | 94 Ų | 94 | 103.9 Ų | 103.9 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.4 | -35.9 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L8 I9 | L8-V12 VanDerWaalsContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.05Å; L8-V12 PolarHBondContact O-N 2.9Å; I9-V12 PolarHBondContact O-N 2.98Å |
| 13 | T | 56 | Low | 62.1 | Low | 85 Ų | 85 | 101.3 Ų | 101.3 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -77.4 | -25.5 | 175.8 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | I9 L10 | I9-T13 HydrophobicContact CG2-CG2 4.14Å; I9-T13 VanDerWaalsContact O-CB 3.27Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 VanDerWaalsContact O-CG2 3.23Å; I9-T13 WeakPolarHBondContact O-CG2 2.98Å; I9-T13 PolarHBondContact O-N 2.89Å; I9-T13 PolarHBondContact O-OG1 2.03Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-OG1 2.86Å |
| 14 | G | 53.1 | Low | 63.6 | Low | 61 Ų | 61 | 97.2 Ų | 97.2 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.5 | -25.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L10 V11 | L10-G14 PolarHBondContact O-N 3.24Å; V11-G14 PolarHBondContact O-N 2.02Å |
| 15 | I | 55.3 | Low | 65.1 | Low | 135 Ų | 135 | 91.7 Ų | 91.7 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -86.7 | -16.9 | -176.2 | -66.8 | 167.5 | 0 | 0 | 0 | 112.8 | V11 | V11-I15 HydrophobicContact CG1-CD1 3.55Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 VanDerWaalsContact O-CD1 3.22Å; V11-I15 WeakPolarHBondContact O-CD1 3Å; V11-I15 WeakPolarHBondContact O-CG1 3.03Å; V11-I15 PolarHBondContact O-N 2.04Å |
| 16 | A | 51.1 | Low | 66.7 | Low | 83 Ų | 83 | 91.5 Ų | 91.5 | 69% | 0.686 | 55% | 0.55 | S | S | * | * | trans | -107.4 | 14 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G18 | A16-G18 PolarHBondContact O-N 3.47Š| ||
| 17 | K | 54.6 | Low | 67.9 | Low | 179 Ų | 179 | 93.4 Ų | 93.4 | 78% | 0.778 | 57% | 0.568 | S | S | * | * | trans | -90.2 | 93.7 | 164.3 | -80.6 | -173.1 | 176.5 | -176.2 | 0 | 108.6 | W19 | K17-W19 PolarHBondContact O-N 3.07Š| ||
| 18 | G | 58.3 | Low | 69.4 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 68% | 0.68 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 138.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A16 E20 | A16-G18 PolarHBondContact O-N 3.47Å; G18-E20 PolarHBondContact O-N 3.37Å |
| 19 | W | 68.6 | Low | 71 | Confident | 157 Ų | 157 | 91.6 Ų | 91.6 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126.2 | -176.8 | -62.3 | -22.3 | 0 | 0 | 0 | 110.4 | K17 C21 E33 | K17-W19 PolarHBondContact O-N 3.07Å; W19-C21 PolarHBondContact O-N 2.69Å; W19-E33 VanDerWaalsContact CE3-CA 3.41Å; W19-E33 VanDerWaalsContact CZ3-CA 3.48Å; W19-E33 HydrophobicContact CZ3-CB 4.22Å; W19-E33 WeakPolarHBondContact CZ3-O 3.34Å |
| 20 | E | 75.4 | Confident | 72.5 | Confident | 168 Ų | 168 | 86.7 Ų | 86.7 | 79% | 0.785 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 124.8 | 178.1 | -74.5 | 173.4 | -175.9 | 0 | 0 | 110.1 | G18 G36 | G18-E20 PolarHBondContact O-N 3.37Å; E20-G36 PolarHBondContact O-N 2.8Å |
| 21 | C | 79.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 37% | 0.365 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 164.7 | 173.7 | -75 | 0 | 0 | 0 | 0 | 112.2 | W19 C25 C32 | W19-C21 PolarHBondContact O-N 2.69Å; C21-C25 HydrophobicContact CB-CB 3.81Å; C21-C32 WeakPolarHBondContact CA-SG 3.38Å; C21-C32 HydrophobicContact CB-CB 4.06Å; C21-C32 WeakPolarHBondContact CB-SG 3.02Å; C21-C32 WeakPolarHBondContact SG-CB 3.49Å; C21-C32 CovalentContact SG-SG 2.01Å; C21-C32 PolarHBondContact SG-SG 3.39Å |
| 22 | S | 81.6 | Confident | 75.5 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 24% | 0.238 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 142.1 | 162.6 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | A24 C25 | S22-A24 PolarHBondContact O-N 3.32Å; S22-C25 VanDerWaalsContact O-CB 3.23Å; S22-C25 WeakPolarHBondContact O-CB 3.35Å; S22-C25 PolarHBondContact O-N 3.13Å |
| 23 | A | 83.2 | Confident | 76.5 | Confident | 116 Ų | 116 | 82.1 Ų | 82.1 | 96% | 0.959 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 24 | A | 87.7 | Confident | 77.5 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -2.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S22 S26 N48 | S22-A24 PolarHBondContact O-N 3.32Å; A24-S26 PolarHBondContact O-N 2.94Å; A24-N48 WeakPolarHBondContact CB-ND2 3.24Å; A24-N48 WeakPolarHBondContact CB-OD1 3.36Å; A24-N48 WeakPolarHBondContact O-CB 3.26Å; A24-N48 VanDerWaalsContact O-CG 3.24Å; A24-N48 PolarHBondContact O-OD1 2.93Å |
| 25 | C | 90.9 | Very high | 78.8 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.115 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -66 | 129.8 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | C21 S22 S27 C38 | C21-C25 HydrophobicContact CB-CB 3.81Å; S22-C25 VanDerWaalsContact O-CB 3.23Å; S22-C25 WeakPolarHBondContact O-CB 3.35Å; S22-C25 PolarHBondContact O-N 3.13Å; C25-S27 PolarHBondContact O-N 3.01Å; C25-C38 VanDerWaalsContact CA-SG 3.55Å; C25-C38 HydrophobicContact CB-CB 3.62Å; C25-C38 WeakPolarHBondContact CB-SG 3.39Å; C25-C38 WeakPolarHBondContact SG-CB 3.24Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å |
| 26 | S | 91.3 | Very high | 79.9 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | trans | -59.3 | 121.9 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | A24 E28 N29 G30 N48 | A24-S26 PolarHBondContact O-N 2.94Å; S26-E28 PolarHBondContact O-N 3.15Å; S26-E28 PolarHBondContact OG-N 3.06Å; S26-N29 WeakPolarHBondContact OG-CB 3.38Å; S26-N29 PolarHBondContact OG-N 3.28Å; S26-N29 VanDerWaalsContact OG-N 3.09Å; S26-G30 VanDerWaalsContact O-CA 3.28Å; S26-G30 WeakPolarHBondContact O-CA 3.38Å; S26-G30 PolarHBondContact O-N 3.02Å; S26-N48 WeakPolarHBondContact CB-O 3.41Å; S26-N48 PolarHBondContact N-O 3.46Å | ||
| 27 | S | 88.4 | Confident | 81.4 | Confident | 123 Ų | 123 | 85.7 Ų | 85.7 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -22.5 | 176.4 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | C25 | C25-S27 PolarHBondContact O-N 3.01Š|
| 28 | E | 91.4 | Very high | 83.1 | Confident | 143 Ų | 143 | 78.1 Ų | 78.1 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -39.9 | 180 | -168 | 178.4 | 177.8 | 0 | 0 | 111.6 | S26 K41 | S26-E28 PolarHBondContact O-N 3.15Å; S26-E28 PolarHBondContact OG-N 3.06Å; E28-K41 WeakPolarHBondContact O-CD 3.49Å; E28-K41 VanDerWaalsContact O-CE 3.31Å; E28-K41 WeakPolarHBondContact O-CE 3.22Å; E28-K41 PolarHBondContact O-NZ 3.35Å |
| 29 | N | 93.2 | Very high | 84.7 | Confident | 19 Ų | 19 | 81.1 Ų | 81.1 | 10% | 0.102 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -10 | -166.7 | -58.5 | -35.3 | 0 | 0 | 0 | 113.8 | S26 K41 W44 C49 | S26-N29 WeakPolarHBondContact OG-CB 3.38Å; S26-N29 PolarHBondContact OG-N 3.28Å; S26-N29 VanDerWaalsContact OG-N 3.09Å; N29-K41 VanDerWaalsContact O-CB 3.29Å; N29-K41 WeakPolarHBondContact O-CB 3.49Å; N29-K41 VanDerWaalsContact O-CG 3.31Å; N29-K41 WeakPolarHBondContact O-CG 3.36Å; N29-K41 PolarHBondContact O-N 3.39Å; N29-W44 HydrophobicContact CB-CB 4.3Å; N29-W44 HydrophobicContact CB-CD2 3.63Å; N29-W44 HydrophobicContact CB-CE3 4.11Å; N29-W44 HydrophobicContact CB-CG 3.68Å; N29-W44 VanDerWaalsContact CG-CD2 3.48Å; N29-W44 VanDerWaalsContact CG-CZ2 3.48Å; N29-W44 WeakPolarHBondContact ND2-CH2 3.18Å; N29-W44 WeakPolarHBondContact ND2-CZ2 3.34Å; N29-W44 VanDerWaalsContact ND2-CZ3 3.34Å; N29-W44 WeakPolarHBondContact ND2-CZ3 3.39Å; N29-W44 VanDerWaalsContact OD1-CE2 3.3Å; N29-W44 WeakPolarHBondContact OD1-CZ2 3.04Å; N29-W44 PolarHBondContact OD1-NE1 2.76Å; N29-C49 HydrophobicContact CB-CB 4.47Å; N29-C49 VanDerWaalsContact CB-O 3.23Å; N29-C49 WeakPolarHBondContact CB-O 3.43Å |
| 30 | G | 91.3 | Very high | 85.9 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 8% | 0.082 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 163.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 R39 | S26-G30 VanDerWaalsContact O-CA 3.28Å; S26-G30 WeakPolarHBondContact O-CA 3.38Å; S26-G30 PolarHBondContact O-N 3.02Å; G30-R39 CarbonylContact C-O 3.51Å; G30-R39 VanDerWaalsContact CA-O 3.32Å; G30-R39 WeakPolarHBondContact CA-O 3.33Å |
| 31 | F | 90.2 | Very high | 86.8 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 162 | 167.1 | 68.8 | -80.5 | 0 | 0 | 0 | 110.2 | E33 R39 K41 | F31-E33 HydrophobicContact CD2-CG 4.09Å; F31-E33 HydrophobicContact CE2-CG 3.7Å; F31-E33 WeakPolarHBondContact CE2-OE1 3.14Å; F31-R39 WeakPolarHBondContact CD1-O 3.01Å; F31-R39 HydrophobicContact CE1-CB 4.33Å; F31-R39 HydrophobicContact CE1-CG 4.01Å; F31-R39 HydrophobicContact CZ-CB 4.4Å; F31-R39 HydrophobicContact CZ-CG 3.96Å; F31-R39 PolarHBondContact N-O 2.73Å; F31-R39 WeakPolarHBondContact O-CB 3.3Å; F31-R39 PolarHBondContact O-N 2.74Å; F31-K41 HydrophobicContact CD1-CG 4.24Å |
| 32 | C | 87 | Confident | 87.5 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | trans | -123.6 | 118.3 | -174.1 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | C21 K37 | C21-C32 WeakPolarHBondContact CA-SG 3.38Å; C21-C32 HydrophobicContact CB-CB 4.06Å; C21-C32 WeakPolarHBondContact CB-SG 3.02Å; C21-C32 WeakPolarHBondContact SG-CB 3.49Å; C21-C32 CovalentContact SG-SG 2.01Å; C21-C32 PolarHBondContact SG-SG 3.39Å; C32-K37 PolarHBondContact SG-O 2.85Å | ||
| 33 | E | 78.9 | Confident | 88.1 | Confident | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -101.5 | 10.6 | 171.1 | -64.2 | 177.2 | -170.3 | 0 | 0 | 112 | W19 F31 R39 | W19-E33 VanDerWaalsContact CE3-CA 3.41Å; W19-E33 VanDerWaalsContact CZ3-CA 3.48Å; W19-E33 HydrophobicContact CZ3-CB 4.22Å; W19-E33 WeakPolarHBondContact CZ3-O 3.34Å; F31-E33 HydrophobicContact CD2-CG 4.09Å; F31-E33 HydrophobicContact CE2-CG 3.7Å; F31-E33 WeakPolarHBondContact CE2-OE1 3.14Å; E33-R39 IonicContact OE1-CZ 3.07Å; E33-R39 IonicContact OE1-NE 2.65Å; E33-R39 PolarHBondContact OE1-NE 3.4Å; E33-R39 IonicContact OE1-NH1 3.19Å; E33-R39 IonicContact OE1-NH2 3.88Å; E33-R39 IonicContact OE2-CZ 3.58Å; E33-R39 IonicContact OE2-NE 3.29Å; E33-R39 PolarHBondContact OE2-NE 2.99Å; E33-R39 IonicContact OE2-NH2 3.94Å; E33-R39 PolarHBondContact OE2-NH2 2.8Å |
| 34 | K | 76.6 | Confident | 88.8 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 61% | 0.609 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -160.8 | 147.2 | 171.2 | -99.6 | 155.6 | -151.5 | -166.4 | 0 | 107.5 | G36 K37 | K34-G36 PolarHBondContact O-N 2.93Å; K34-K37 HydrophobicContact CB-CB 4.36Å; K34-K37 PolarHBondContact O-N 3.38Å |
| 35 | P | 80.4 | Confident | 89.1 | Confident | 98 Ų | 98 | 71 Ų | 71 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.8 | 174.9 | 21.5 | -30 | 0 | 0 | 0 | 110.3 | K37 | P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.49Å |
| 36 | G | 77.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 3.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E20 K34 | E20-G36 PolarHBondContact O-N 2.8Å; K34-G36 PolarHBondContact O-N 2.93Å |
| 37 | K | 83.6 | Confident | 89.1 | Confident | 147 Ų | 147 | 78.6 Ų | 78.6 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | trans | -117.9 | 116.1 | 176.9 | -172 | 171.7 | -176.6 | 173 | 0 | 111.8 | C32 K34 P35 | C32-K37 PolarHBondContact SG-O 2.85Å; K34-K37 HydrophobicContact CB-CB 4.36Å; K34-K37 PolarHBondContact O-N 3.38Å; P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.49Å | ||
| 38 | C | 89.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 75 Ų | 75 | 14% | 0.135 | 39% | 0.389 | C | S | . | . | trans | -83 | 132 | 173.7 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | C25 E47 C49 | C25-C38 VanDerWaalsContact CA-SG 3.55Å; C25-C38 HydrophobicContact CB-CB 3.62Å; C25-C38 WeakPolarHBondContact CB-SG 3.39Å; C25-C38 WeakPolarHBondContact SG-CB 3.24Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å; C38-E47 WeakPolarHBondContact CB-O 3.38Å; C38-C49 PolarHBondContact SG-SG 3.24Å | ||
| 39 | R | 91.3 | Very high | 89.5 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.2 | 173.6 | -177.2 | -168.1 | -81.8 | -118.1 | 14.3 | 108.7 | G30 F31 E33 C49 | G30-R39 CarbonylContact C-O 3.51Å; G30-R39 VanDerWaalsContact CA-O 3.32Å; G30-R39 WeakPolarHBondContact CA-O 3.33Å; F31-R39 WeakPolarHBondContact CD1-O 3.01Å; F31-R39 HydrophobicContact CE1-CB 4.33Å; F31-R39 HydrophobicContact CE1-CG 4.01Å; F31-R39 HydrophobicContact CZ-CB 4.4Å; F31-R39 HydrophobicContact CZ-CG 3.96Å; F31-R39 PolarHBondContact N-O 2.73Å; F31-R39 WeakPolarHBondContact O-CB 3.3Å; F31-R39 PolarHBondContact O-N 2.74Å; E33-R39 IonicContact OE1-CZ 3.07Å; E33-R39 IonicContact OE1-NE 2.65Å; E33-R39 PolarHBondContact OE1-NE 3.4Å; E33-R39 IonicContact OE1-NH1 3.19Å; E33-R39 IonicContact OE1-NH2 3.88Å; E33-R39 IonicContact OE2-CZ 3.58Å; E33-R39 IonicContact OE2-NE 3.29Å; E33-R39 PolarHBondContact OE2-NE 2.99Å; E33-R39 IonicContact OE2-NH2 3.94Å; E33-R39 PolarHBondContact OE2-NH2 2.8Å; R39-C49 VanDerWaalsContact C-SG 3.55Å |
| 40 | C | 94.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 72 Ų | 72 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 143.1 | -173.6 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | W44 G46 C49 | C40-W44 HydrophobicContact CB-CB 4.11Å; C40-W44 WeakPolarHBondContact CB-O 3.4Å; C40-G46 PolarHBondContact SG-O 2.83Å; C40-G46 VanDerWaalsContact SG-O 3.41Å; C40-C49 WeakPolarHBondContact CA-SG 3.27Å; C40-C49 HydrophobicContact CB-CB 3.65Å; C40-C49 WeakPolarHBondContact CB-SG 3.33Å; C40-C49 PolarHBondContact N-SG 3.02Å; C40-C49 WeakPolarHBondContact SG-CA 3.02Å; C40-C49 WeakPolarHBondContact SG-CB 3.33Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.14Å |
| 41 | K | 94 | Very high | 89.7 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 157.6 | 167 | -68.5 | -179.3 | -174.1 | 175.3 | 0 | 109.8 | E28 N29 F31 G43 W44 | E28-K41 WeakPolarHBondContact O-CD 3.49Å; E28-K41 VanDerWaalsContact O-CE 3.31Å; E28-K41 WeakPolarHBondContact O-CE 3.22Å; E28-K41 PolarHBondContact O-NZ 3.35Å; N29-K41 VanDerWaalsContact O-CB 3.29Å; N29-K41 WeakPolarHBondContact O-CB 3.49Å; N29-K41 VanDerWaalsContact O-CG 3.31Å; N29-K41 WeakPolarHBondContact O-CG 3.36Å; N29-K41 PolarHBondContact O-N 3.39Å; F31-K41 HydrophobicContact CD1-CG 4.24Å; K41-G43 PolarHBondContact O-N 2.94Å; K41-W44 PolarHBondContact O-N 2.74Å; K41-W44 VanDerWaalsContact O-N 3.14Å |
| 42 | P | 95.3 | Very high | 90 | Very high | 114 Ų | 114 | 75.5 Ų | 75.5 | 74% | 0.74 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.6 | 178.8 | -26.3 | 35.2 | 0 | 0 | 0 | 112.3 | ||
| 43 | G | 94.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 9.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | K41 C52 I53 A66 W67 | K41-G43 PolarHBondContact O-N 2.94Å; G43-C52 WeakPolarHBondContact O-CA 3.39Å; G43-I53 PolarHBondContact O-N 3.43Å; G43-A66 WeakPolarHBondContact O-CA 3.29Å; G43-A66 VanDerWaalsContact O-CB 3.32Å; G43-A66 WeakPolarHBondContact O-CB 2.98Å; G43-W67 VanDerWaalsContact CA-CZ2 3.43Å; G43-W67 VanDerWaalsContact N-CZ2 3.29Å |
| 44 | W | 96.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 75 Ų | 75 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.9 | 173 | -62.6 | 90.1 | 0 | 0 | 0 | 111.1 | N29 C40 K41 C49 R51 C52 | N29-W44 HydrophobicContact CB-CB 4.3Å; N29-W44 HydrophobicContact CB-CD2 3.63Å; N29-W44 HydrophobicContact CB-CE3 4.11Å; N29-W44 HydrophobicContact CB-CG 3.68Å; N29-W44 VanDerWaalsContact CG-CD2 3.48Å; N29-W44 VanDerWaalsContact CG-CZ2 3.48Å; N29-W44 WeakPolarHBondContact ND2-CH2 3.18Å; N29-W44 WeakPolarHBondContact ND2-CZ2 3.34Å; N29-W44 VanDerWaalsContact ND2-CZ3 3.34Å; N29-W44 WeakPolarHBondContact ND2-CZ3 3.39Å; N29-W44 VanDerWaalsContact OD1-CE2 3.3Å; N29-W44 WeakPolarHBondContact OD1-CZ2 3.04Å; N29-W44 PolarHBondContact OD1-NE1 2.76Å; C40-W44 HydrophobicContact CB-CB 4.11Å; C40-W44 WeakPolarHBondContact CB-O 3.4Å; K41-W44 PolarHBondContact O-N 2.74Å; K41-W44 VanDerWaalsContact O-N 3.14Å; W44-C49 HydrophobicContact CB-CB 4.5Å; W44-R51 CarbonylContact C-O 3.52Å; W44-R51 VanDerWaalsContact CA-O 3.31Å; W44-R51 WeakPolarHBondContact CA-O 3.31Å; W44-C52 HydrophobicContact CE3-CB 4.27Å; W44-C52 HydrophobicContact CH2-CB 4.44Å; W44-C52 HydrophobicContact CZ3-CB 4.12Å |
| 45 | E | 94.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 177.9 | -177.5 | 62.7 | 163.5 | -140.5 | 0 | 0 | 112 | C49 R51 I53 | E45-C49 WeakPolarHBondContact O-CA 3.46Å; E45-R51 HydrophobicContact CG-CB 4.01Å; E45-R51 PolarHBondContact N-O 2.8Å; E45-R51 PolarHBondContact O-N 3.29Å; E45-R51 IonicContact OE1-NE 3.57Å; E45-I53 HydrophobicContact CB-CD1 4.06Å; E45-I53 HydrophobicContact CB-CG1 3.76Å; E45-I53 HydrophobicContact CG-CG1 3.72Å |
| 46 | G | 92.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 93.8 | 169.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | C40 N48 | C40-G46 PolarHBondContact SG-O 2.83Å; C40-G46 VanDerWaalsContact SG-O 3.41Å; G46-N48 PolarHBondContact O-N 2.83Å |
| 47 | E | 90.6 | Very high | 93.6 | Very high | 176 Ų | 176 | 72.4 Ų | 72.4 | 82% | 0.822 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -67.1 | -24.6 | -178.6 | -63.6 | -172.2 | 152 | 0 | 0 | 112.6 | C38 | C38-E47 WeakPolarHBondContact CB-O 3.38Š|
| 48 | N | 92.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -113.2 | -0.7 | -176.5 | -69.1 | -25.5 | 0 | 0 | 0 | 113.5 | A24 S26 G46 D50 | A24-N48 WeakPolarHBondContact CB-ND2 3.24Å; A24-N48 WeakPolarHBondContact CB-OD1 3.36Å; A24-N48 WeakPolarHBondContact O-CB 3.26Å; A24-N48 VanDerWaalsContact O-CG 3.24Å; A24-N48 PolarHBondContact O-OD1 2.93Å; S26-N48 WeakPolarHBondContact CB-O 3.41Å; S26-N48 PolarHBondContact N-O 3.46Å; G46-N48 PolarHBondContact O-N 2.83Å; N48-D50 PolarHBondContact O-N 3.43Å |
| 49 | C | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 58.4 | 33.4 | -178.4 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | N29 C38 R39 C40 W44 E45 | N29-C49 HydrophobicContact CB-CB 4.47Å; N29-C49 VanDerWaalsContact CB-O 3.23Å; N29-C49 WeakPolarHBondContact CB-O 3.43Å; C38-C49 PolarHBondContact SG-SG 3.24Å; R39-C49 VanDerWaalsContact C-SG 3.55Å; C40-C49 WeakPolarHBondContact CA-SG 3.27Å; C40-C49 HydrophobicContact CB-CB 3.65Å; C40-C49 WeakPolarHBondContact CB-SG 3.33Å; C40-C49 PolarHBondContact N-SG 3.02Å; C40-C49 WeakPolarHBondContact SG-CA 3.02Å; C40-C49 WeakPolarHBondContact SG-CB 3.33Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.14Å; W44-C49 HydrophobicContact CB-CB 4.5Å; E45-C49 WeakPolarHBondContact O-CA 3.46Å |
| 50 | D | 93.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 68.1 Ų | 68.1 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | trans | -97.7 | -14.1 | -180 | 57.4 | -25.1 | 0 | 0 | 0 | 112.7 | N48 | N48-D50 PolarHBondContact O-N 3.43Š| ||
| 51 | R | 95.1 | Very high | 94.5 | Very high | 146 Ų | 146 | 67.1 Ų | 67.1 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.2 | 174.8 | -67 | -165.6 | -61.2 | -119.6 | -0.7 | 110.9 | W44 E45 | W44-R51 CarbonylContact C-O 3.52Å; W44-R51 VanDerWaalsContact CA-O 3.31Å; W44-R51 WeakPolarHBondContact CA-O 3.31Å; E45-R51 HydrophobicContact CG-CB 4.01Å; E45-R51 PolarHBondContact N-O 2.8Å; E45-R51 PolarHBondContact O-N 3.29Å; E45-R51 IonicContact OE1-NE 3.57Å |
| 52 | C | 96.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 154.4 | 171.8 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | G43 W44 C63 | G43-C52 WeakPolarHBondContact O-CA 3.39Å; W44-C52 HydrophobicContact CE3-CB 4.27Å; W44-C52 HydrophobicContact CH2-CB 4.44Å; W44-C52 HydrophobicContact CZ3-CB 4.12Å; C52-C63 HydrophobicContact CB-CB 3.98Å; C52-C63 WeakPolarHBondContact CB-SG 3Å; C52-C63 PolarHBondContact O-SG 3.31Å; C52-C63 WeakPolarHBondContact SG-CB 3.42Å; C52-C63 PolarHBondContact SG-O 3.38Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 3.25Å |
| 53 | I | 96.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 62 Ų | 62 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 123.2 | 168.4 | -57 | 172.8 | 0 | 0 | 0 | 107 | G43 E45 W67 | G43-I53 PolarHBondContact O-N 3.43Å; E45-I53 HydrophobicContact CB-CD1 4.06Å; E45-I53 HydrophobicContact CB-CG1 3.76Å; E45-I53 HydrophobicContact CG-CG1 3.72Å; I53-W67 HydrophobicContact CB-CZ3 4.31Å; I53-W67 HydrophobicContact CG2-CE3 4.44Å; I53-W67 HydrophobicContact CG2-CH2 4.37Å; I53-W67 HydrophobicContact CG2-CZ3 3.84Å; I53-W67 PolarHBondContact O-N 3.08Å |
| 54 | P | 96 | Very high | 94.5 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -61 | 162 | 174.3 | -20.7 | 31.5 | 0 | 0 | 0 | 112.4 | C58 C63 Q68 | P54-C58 HydrophobicContact CB-CB 3.9Å; P54-C63 HydrophobicContact CB-CB 4.33Å; P54-C63 HydrophobicContact CG-CB 4.22Å; P54-Q68 VanDerWaalsContact CA-O 3.31Å; P54-Q68 WeakPolarHBondContact CA-O 3.47Å |
| 55 | F | 96 | Very high | 94.4 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 136.3 | 173.5 | -166.9 | -92.8 | 0 | 0 | 0 | 111 | G57 C58 W67 Q68 C69 L79 | F55-G57 PolarHBondContact O-N 2.02Å; F55-C58 WeakPolarHBondContact O-CB 3.47Å; F55-C58 PolarHBondContact O-N 3.25Å; F55-W67 WeakPolarHBondContact CB-O 3.05Å; F55-W67 HydrophobicContact CD2-CB 4.43Å; F55-W67 WeakPolarHBondContact CD2-O 3.46Å; F55-Q68 PolarHBondContact N-O 3.45Å; F55-Q68 VanDerWaalsContact N-O 3.17Å; F55-C69 HydrophobicContact CB-CB 4.13Å; F55-L79 HydrophobicContact CD1-CD2 3.37Å; F55-L79 HydrophobicContact CE1-CD2 3.74Å; F55-L79 HydrophobicContact CG-CD2 4.44Å |
| 56 | P | 95.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 123.2 | 178.9 | -25 | 35.1 | 0 | 0 | 0 | 111.6 | W67 | P56-W67 HydrophobicContact CG-CE3 4.31Å; P56-W67 HydrophobicContact CG-CZ3 3.95Å |
| 57 | G | 93.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 74.9 Ų | 74.9 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 3.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F55 L59 | F55-G57 PolarHBondContact O-N 2.02Å; G57-L59 PolarHBondContact O-N 2.04Å; G57-L59 VanDerWaalsContact O-N 3.14Å |
| 58 | C | 96 | Very high | 94.7 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | trans | -62.6 | 110 | 169.4 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | P54 F55 G61 C69 L79 | P54-C58 HydrophobicContact CB-CB 3.9Å; F55-C58 WeakPolarHBondContact O-CB 3.47Å; F55-C58 PolarHBondContact O-N 3.25Å; C58-G61 VanDerWaalsContact SG-CA 3.58Å; C58-C69 VanDerWaalsContact CA-SG 3.56Å; C58-C69 HydrophobicContact CB-CB 3.76Å; C58-C69 WeakPolarHBondContact CB-SG 3.01Å; C58-C69 WeakPolarHBondContact SG-CB 3.18Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.18Å; C58-L79 WeakPolarHBondContact CA-O 2.95Å | ||
| 59 | L | 93.8 | Very high | 94.8 | Very high | 113 Ų | 113 | 68.5 Ų | 68.5 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -87.6 | -61.6 | -177.4 | -78.9 | 120.2 | 0 | 0 | 0 | 111.8 | G57 L79 D81 | G57-L59 PolarHBondContact O-N 2.04Å; G57-L59 VanDerWaalsContact O-N 3.14Å; L59-L79 PolarHBondContact N-O 3.01Å; L59-L79 VanDerWaalsContact N-O 3.07Å; L59-D81 HydrophobicContact CD1-CB 3.71Å |
| 60 | H | 93.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -114.5 | 43.6 | -173.7 | -59.5 | -77.4 | 0 | 0 | 0 | 112.4 | K72 W75 C80 | H60-K72 WeakPolarHBondContact O-CB 3.07Å; H60-K72 WeakPolarHBondContact O-CG 3.03Å; H60-K72 PolarHBondContact O-N 3.02Å; H60-W75 HydrophobicContact CB-CB 4.05Å; H60-W75 HydrophobicContact CB-CD2 3.43Å; H60-W75 VanDerWaalsContact CB-CD2 3.43Å; H60-W75 HydrophobicContact CB-CE3 4.04Å; H60-W75 HydrophobicContact CB-CG 3.38Å; H60-W75 HydrophobicContact CB-CZ2 4.44Å; H60-W75 AromaticContact CD2-CD2 3.47Å; H60-W75 VanDerWaalsContact CD2-CD2 3.47Å; H60-W75 AromaticContact CD2-CE2 3.42Å; H60-W75 VanDerWaalsContact CD2-CE2 3.42Å; H60-W75 AromaticContact CD2-CE3 3.37Å; H60-W75 AromaticContact CD2-CH2 3.25Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.02Å; H60-W75 AromaticContact CD2-CZ3 3.27Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.39Å; H60-W75 AromaticContact CE1-CH2 4Å; H60-W75 AromaticContact CE1-CZ2 3.64Å; H60-W75 AromaticContact CG-CD2 3.47Å; H60-W75 VanDerWaalsContact CG-CD2 3.47Å; H60-W75 AromaticContact CG-CE2 3.31Å; H60-W75 AromaticContact CG-CE3 3.88Å; H60-W75 AromaticContact CG-CG 3.98Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.69Å; H60-W75 AromaticContact ND1-CE2 3.75Å; H60-W75 AromaticContact ND1-CZ2 3.8Å; H60-W75 AromaticContact ND1-NE1 3.95Å; H60-W75 AromaticContact NE2-CE2 3.94Å; H60-W75 AromaticContact NE2-CH2 3.27Å; H60-W75 VanDerWaalsContact NE2-CH2 3.27Å; H60-W75 WeakPolarHBondContact NE2-CH2 3.3Å; H60-W75 AromaticContact NE2-CZ2 3.39Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.29Å; H60-W75 AromaticContact NE2-CZ3 3.75Å; H60-C80 HydrophobicContact CB-CB 4.32Å; H60-C80 WeakPolarHBondContact CB-O 3.31Å; H60-C80 PolarHBondContact CD2-O 3.2Å; H60-C80 PolarHBondContact N-O 2.85Å |
| 61 | G | 94.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 68 Ų | 68 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C58 V70 | C58-G61 VanDerWaalsContact SG-CA 3.58Å; G61-V70 CarbonylContact C-O 3.47Å; G61-V70 WeakPolarHBondContact CA-O 3.07Å |
| 62 | V | 95.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 168.1 | 171.8 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | V70 | V62-V70 HydrophobicContact CG2-CB 4.38Å; V62-V70 PolarHBondContact N-O 3.06Å; V62-V70 WeakPolarHBondContact O-CB 3.13Å; V62-V70 PolarHBondContact O-N 3.34Å |
| 63 | C | 95.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 75.3 Ų | 75.3 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | trans | -117.7 | 145.1 | 175.2 | 62 | 0 | 0 | 0 | 0 | 110.3 | C52 P54 Q68 | C52-C63 HydrophobicContact CB-CB 3.98Å; C52-C63 WeakPolarHBondContact CB-SG 3Å; C52-C63 PolarHBondContact O-SG 3.31Å; C52-C63 WeakPolarHBondContact SG-CB 3.42Å; C52-C63 PolarHBondContact SG-O 3.38Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 3.25Å; P54-C63 HydrophobicContact CB-CB 4.33Å; P54-C63 HydrophobicContact CG-CB 4.22Å; C63-Q68 HydrophobicContact CB-CB 4.44Å; C63-Q68 WeakPolarHBondContact CB-O 3.36Å | ||
| 64 | E | 93.9 | Very high | 93.2 | Very high | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -107.3 | -30 | 165.1 | -64.5 | -179.3 | 174.3 | 0 | 0 | 110.4 | ||
| 65 | K | 93.6 | Very high | 92.7 | Very high | 148 Ų | 148 | 74.8 Ų | 74.8 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -123.8 | 156.1 | 173.8 | -62.4 | 179.5 | -178.4 | 177.1 | 0 | 110.2 | W67 Q68 | K65-W67 PolarHBondContact O-N 3.09Å; K65-Q68 VanDerWaalsContact O-CB 3.25Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 3.44Å; K65-Q68 VanDerWaalsContact O-N 3.14Å |
| 66 | A | 94.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 26% | 0.256 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 132 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G43 Q68 | G43-A66 WeakPolarHBondContact O-CA 3.29Å; G43-A66 VanDerWaalsContact O-CB 3.32Å; G43-A66 WeakPolarHBondContact O-CB 2.98Å; A66-Q68 PolarHBondContact O-N 3.41Å |
| 67 | W | 94.5 | Very high | 91.5 | Very high | 115 Ų | 115 | 70.6 Ų | 70.6 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 18.1 | 177.5 | -46.7 | 116 | 0 | 0 | 0 | 115.7 | G43 I53 F55 P56 K65 | G43-W67 VanDerWaalsContact CA-CZ2 3.43Å; G43-W67 VanDerWaalsContact N-CZ2 3.29Å; I53-W67 HydrophobicContact CB-CZ3 4.31Å; I53-W67 HydrophobicContact CG2-CE3 4.44Å; I53-W67 HydrophobicContact CG2-CH2 4.37Å; I53-W67 HydrophobicContact CG2-CZ3 3.84Å; I53-W67 PolarHBondContact O-N 3.08Å; F55-W67 WeakPolarHBondContact CB-O 3.05Å; F55-W67 HydrophobicContact CD2-CB 4.43Å; F55-W67 WeakPolarHBondContact CD2-O 3.46Å; P56-W67 HydrophobicContact CG-CE3 4.31Å; P56-W67 HydrophobicContact CG-CZ3 3.95Å; K65-W67 PolarHBondContact O-N 3.09Å |
| 68 | Q | 95.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 73.2 Ų | 73.2 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | trans | -88.6 | 151.6 | 170.8 | -163.9 | 177.7 | -4 | 0 | 0 | 110.5 | P54 F55 C63 K65 A66 V70 | P54-Q68 VanDerWaalsContact CA-O 3.31Å; P54-Q68 WeakPolarHBondContact CA-O 3.47Å; F55-Q68 PolarHBondContact N-O 3.45Å; F55-Q68 VanDerWaalsContact N-O 3.17Å; C63-Q68 HydrophobicContact CB-CB 4.44Å; C63-Q68 WeakPolarHBondContact CB-O 3.36Å; K65-Q68 VanDerWaalsContact O-CB 3.25Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 3.44Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; A66-Q68 PolarHBondContact O-N 3.41Å; Q68-V70 HydrophobicContact CG-CG2 3.83Å | ||
| 69 | C | 96.3 | Very high | 91 | Very high | 22 Ų | 22 | 74.4 Ų | 74.4 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | trans | -131.3 | 100.7 | 167.3 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | F55 C58 C80 | F55-C69 HydrophobicContact CB-CB 4.13Å; C58-C69 VanDerWaalsContact CA-SG 3.56Å; C58-C69 HydrophobicContact CB-CB 3.76Å; C58-C69 WeakPolarHBondContact CB-SG 3.01Å; C58-C69 WeakPolarHBondContact SG-CB 3.18Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.18Å; C69-C80 PolarHBondContact SG-SG 2.81Å | ||
| 70 | V | 94.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 69 Ų | 69 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.6 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | G61 V62 Q68 | G61-V70 CarbonylContact C-O 3.47Å; G61-V70 WeakPolarHBondContact CA-O 3.07Å; V62-V70 HydrophobicContact CG2-CB 4.38Å; V62-V70 PolarHBondContact N-O 3.06Å; V62-V70 WeakPolarHBondContact O-CB 3.13Å; V62-V70 PolarHBondContact O-N 3.34Å; Q68-V70 HydrophobicContact CG-CG2 3.83Å |
| 71 | C | 93.3 | Very high | 90.6 | Very high | 41 Ų | 41 | 69.5 Ų | 69.5 | 28% | 0.277 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 139.3 | -174.2 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | W75 G77 C80 | C71-W75 HydrophobicContact CB-CB 4.11Å; C71-W75 WeakPolarHBondContact CB-O 3.18Å; C71-G77 PolarHBondContact SG-O 3.14Å; C71-G77 VanDerWaalsContact SG-O 3.36Å; C71-C80 WeakPolarHBondContact CA-SG 3.44Å; C71-C80 HydrophobicContact CB-CB 3.74Å; C71-C80 WeakPolarHBondContact CB-SG 3.48Å; C71-C80 PolarHBondContact N-SG 2.03Å; C71-C80 WeakPolarHBondContact SG-CA 3.37Å; C71-C80 WeakPolarHBondContact SG-CB 3.31Å; C71-C80 CovalentContact SG-SG 2.03Å; C71-C80 PolarHBondContact SG-SG 2.89Å |
| 72 | K | 90 | Very high | 89.9 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 158.4 | 169.2 | -65.3 | 175.9 | -177.4 | 176.2 | 0 | 109.2 | H60 G74 W75 | H60-K72 WeakPolarHBondContact O-CB 3.07Å; H60-K72 WeakPolarHBondContact O-CG 3.03Å; H60-K72 PolarHBondContact O-N 3.02Å; K72-G74 PolarHBondContact O-N 2.78Å; K72-W75 PolarHBondContact O-N 3.19Å |
| 73 | E | 85.8 | Confident | 89.1 | Confident | 201 Ų | 201 | 72.3 Ų | 72.3 | 94% | 0.939 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 132.7 | 174.2 | -168.4 | 176.8 | -171 | 0 | 0 | 110.1 | ||
| 74 | G | 77.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -7.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K72 D83 T84 | K72-G74 PolarHBondContact O-N 2.78Å; G74-D83 CarbonylContact O-C 3.44Å; G74-D83 WeakPolarHBondContact O-CA 3.34Å; G74-D83 VanDerWaalsContact O-OD1 3.09Å; G74-T84 WeakPolarHBondContact CA-OG1 3.47Å; G74-T84 PolarHBondContact O-N 2.03Å; G74-T84 PolarHBondContact O-OG1 3.17Å |
| 75 | W | 85.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.5 | -175.9 | -64.2 | 84.8 | 0 | 0 | 0 | 113.3 | H60 C71 K72 C80 Q82 D83 | H60-W75 HydrophobicContact CB-CB 4.05Å; H60-W75 HydrophobicContact CB-CD2 3.43Å; H60-W75 VanDerWaalsContact CB-CD2 3.43Å; H60-W75 HydrophobicContact CB-CE3 4.04Å; H60-W75 HydrophobicContact CB-CG 3.38Å; H60-W75 HydrophobicContact CB-CZ2 4.44Å; H60-W75 AromaticContact CD2-CD2 3.47Å; H60-W75 VanDerWaalsContact CD2-CD2 3.47Å; H60-W75 AromaticContact CD2-CE2 3.42Å; H60-W75 VanDerWaalsContact CD2-CE2 3.42Å; H60-W75 AromaticContact CD2-CE3 3.37Å; H60-W75 AromaticContact CD2-CH2 3.25Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.02Å; H60-W75 AromaticContact CD2-CZ3 3.27Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.39Å; H60-W75 AromaticContact CE1-CH2 4Å; H60-W75 AromaticContact CE1-CZ2 3.64Å; H60-W75 AromaticContact CG-CD2 3.47Å; H60-W75 VanDerWaalsContact CG-CD2 3.47Å; H60-W75 AromaticContact CG-CE2 3.31Å; H60-W75 AromaticContact CG-CE3 3.88Å; H60-W75 AromaticContact CG-CG 3.98Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.69Å; H60-W75 AromaticContact ND1-CE2 3.75Å; H60-W75 AromaticContact ND1-CZ2 3.8Å; H60-W75 AromaticContact ND1-NE1 3.95Å; H60-W75 AromaticContact NE2-CE2 3.94Å; H60-W75 AromaticContact NE2-CH2 3.27Å; H60-W75 VanDerWaalsContact NE2-CH2 3.27Å; H60-W75 WeakPolarHBondContact NE2-CH2 3.3Å; H60-W75 AromaticContact NE2-CZ2 3.39Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.29Å; H60-W75 AromaticContact NE2-CZ3 3.75Å; C71-W75 HydrophobicContact CB-CB 4.11Å; C71-W75 WeakPolarHBondContact CB-O 3.18Å; K72-W75 PolarHBondContact O-N 3.19Å; W75-C80 HydrophobicContact CB-CB 4.27Å; W75-Q82 CarbonylContact C-O 3.51Å; W75-Q82 WeakPolarHBondContact CA-O 3.01Å; W75-Q82 VanDerWaalsContact CE3-C 3.45Å; W75-D83 HydrophobicContact CE3-CB 4.32Å; W75-D83 HydrophobicContact CH2-CB 4.12Å; W75-D83 HydrophobicContact CZ2-CB 4.44Å; W75-D83 HydrophobicContact CZ3-CB 4.05Å |
| 76 | V | 83.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 176.5 | 178.3 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | C80 D81 Q82 T84 | V76-C80 WeakPolarHBondContact O-CA 3.41Å; V76-D81 PolarHBondContact O-N 3.27Å; V76-Q82 HydrophobicContact CG2-CB 3.93Å; V76-Q82 PolarHBondContact N-O 2.02Å; V76-Q82 WeakPolarHBondContact O-CB 3.27Å; V76-Q82 PolarHBondContact O-N 2.8Å; V76-T84 HydrophobicContact CB-CG2 4.18Å; V76-T84 HydrophobicContact CG1-CG2 3.44Å; V76-T84 VanDerWaalsContact CG1-CG2 3.44Å; V76-T84 HydrophobicContact CG2-CG2 3.88Å |
| 77 | G | 81.6 | Confident | 85.3 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 94.9 | 161.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C71 L79 C80 | C71-G77 PolarHBondContact SG-O 3.14Å; C71-G77 VanDerWaalsContact SG-O 3.36Å; G77-L79 PolarHBondContact O-N 2.8Å; G77-C80 PolarHBondContact O-N 3.38Å |
| 78 | S | 86.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.9 | -178.5 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 79 | L | 91.9 | Very high | 83.7 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 5.4 | 179.1 | -59.7 | 179.3 | 0 | 0 | 0 | 112.8 | F55 C58 L59 G77 D81 | F55-L79 HydrophobicContact CD1-CD2 3.37Å; F55-L79 HydrophobicContact CE1-CD2 3.74Å; F55-L79 HydrophobicContact CG-CD2 4.44Å; C58-L79 WeakPolarHBondContact CA-O 2.95Å; L59-L79 PolarHBondContact N-O 3.01Å; L59-L79 VanDerWaalsContact N-O 3.07Å; G77-L79 PolarHBondContact O-N 2.8Å; L79-D81 HydrophobicContact CB-CB 4.36Å; L79-D81 PolarHBondContact O-N 3.41Å |
| 80 | C | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 51.9 | 43.1 | -175.4 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | H60 C69 C71 W75 V76 G77 | H60-C80 HydrophobicContact CB-CB 4.32Å; H60-C80 WeakPolarHBondContact CB-O 3.31Å; H60-C80 PolarHBondContact CD2-O 3.2Å; H60-C80 PolarHBondContact N-O 2.85Å; C69-C80 PolarHBondContact SG-SG 2.81Å; C71-C80 WeakPolarHBondContact CA-SG 3.44Å; C71-C80 HydrophobicContact CB-CB 3.74Å; C71-C80 WeakPolarHBondContact CB-SG 3.48Å; C71-C80 PolarHBondContact N-SG 2.03Å; C71-C80 WeakPolarHBondContact SG-CA 3.37Å; C71-C80 WeakPolarHBondContact SG-CB 3.31Å; C71-C80 CovalentContact SG-SG 2.03Å; C71-C80 PolarHBondContact SG-SG 2.89Å; W75-C80 HydrophobicContact CB-CB 4.27Å; V76-C80 WeakPolarHBondContact O-CA 3.41Å; G77-C80 PolarHBondContact O-N 3.38Å |
| 81 | D | 87.3 | Confident | 82.7 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | trans | -102.3 | -6.5 | -176.7 | 61.3 | -41.1 | 0 | 0 | 0 | 112.6 | L59 V76 L79 | L59-D81 HydrophobicContact CD1-CB 3.71Å; V76-D81 PolarHBondContact O-N 3.27Å; L79-D81 HydrophobicContact CB-CB 4.36Å; L79-D81 PolarHBondContact O-N 3.41Å | ||
| 82 | Q | 79.3 | Confident | 82.6 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121 | -179.9 | -59.6 | 176 | 17.6 | 0 | 0 | 110 | W75 V76 | W75-Q82 CarbonylContact C-O 3.51Å; W75-Q82 WeakPolarHBondContact CA-O 3.01Å; W75-Q82 VanDerWaalsContact CE3-C 3.45Å; V76-Q82 HydrophobicContact CG2-CB 3.93Å; V76-Q82 PolarHBondContact N-O 2.02Å; V76-Q82 WeakPolarHBondContact O-CB 3.27Å; V76-Q82 PolarHBondContact O-N 2.8Å |
| 83 | D | 78.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 17% | 0.171 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.6 | 173.8 | -165.4 | -31.2 | 0 | 0 | 0 | 109 | G74 W75 R85 S88 | G74-D83 CarbonylContact O-C 3.44Å; G74-D83 WeakPolarHBondContact O-CA 3.34Å; G74-D83 VanDerWaalsContact O-OD1 3.09Å; W75-D83 HydrophobicContact CE3-CB 4.32Å; W75-D83 HydrophobicContact CH2-CB 4.12Å; W75-D83 HydrophobicContact CZ2-CB 4.44Å; W75-D83 HydrophobicContact CZ3-CB 4.05Å; D83-R85 PolarHBondContact O-N 3.26Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.34Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-R85 IonicContact OD1-NE 3.42Å; D83-R85 PolarHBondContact OD1-NE 2.94Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.6Å; D83-R85 IonicContact OD2-NH2 3.13Å; D83-R85 PolarHBondContact OD2-NH2 2.79Å; D83-R85 VanDerWaalsContact OD2-NH2 3.13Å; D83-S88 WeakPolarHBondContact OD2-CB 3.18Å |
| 84 | T | 68.5 | Low | 82.2 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -70.6 | -13.9 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | G74 V76 L86 | G74-T84 WeakPolarHBondContact CA-OG1 3.47Å; G74-T84 PolarHBondContact O-N 2.03Å; G74-T84 PolarHBondContact O-OG1 3.17Å; V76-T84 HydrophobicContact CB-CG2 4.18Å; V76-T84 HydrophobicContact CG1-CG2 3.44Å; V76-T84 VanDerWaalsContact CG1-CG2 3.44Å; V76-T84 HydrophobicContact CG2-CG2 3.88Å; T84-L86 WeakPolarHBondContact O-CD1 3.32Å; T84-L86 PolarHBondContact O-N 3.08Å |
| 85 | R | 71.5 | Confident | 82.6 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -85.7 | 100.4 | 171.1 | -66.6 | 178.2 | -62.5 | 174.7 | 6.3 | 108 | D83 C87 S88 E100 | D83-R85 PolarHBondContact O-N 3.26Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.34Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-R85 IonicContact OD1-NE 3.42Å; D83-R85 PolarHBondContact OD1-NE 2.94Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.6Å; D83-R85 IonicContact OD2-NH2 3.13Å; D83-R85 PolarHBondContact OD2-NH2 2.79Å; D83-R85 VanDerWaalsContact OD2-NH2 3.13Å; R85-C87 PolarHBondContact O-N 3.29Å; R85-S88 WeakPolarHBondContact O-CB 3.28Å; R85-S88 PolarHBondContact O-N 3.21Å; R85-E100 VanDerWaalsContact CA-OE1 3.28Å; R85-E100 WeakPolarHBondContact CA-OE1 3.45Å; R85-E100 VanDerWaalsContact CB-OE1 3.26Å; R85-E100 WeakPolarHBondContact CB-OE1 3.16Å |
| 86 | L | 76.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -62.8 | -28.4 | -169.5 | -85.5 | 68.4 | 0 | 0 | 0 | 111.3 | T84 S88 S89 P91 E100 G104 Y106 | T84-L86 WeakPolarHBondContact O-CD1 3.32Å; T84-L86 PolarHBondContact O-N 3.08Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.23Å; L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 PolarHBondContact O-OG 2.78Å; L86-P91 WeakPolarHBondContact O-CD 3.12Å; L86-P91 WeakPolarHBondContact O-CG 3.46Å; L86-E100 PolarHBondContact N-OE1 3.39Å; L86-E100 VanDerWaalsContact N-OE1 3.1Å; L86-E100 PolarHBondContact N-OE2 2.04Å; L86-G104 VanDerWaalsContact CD1-O 3.26Å; L86-G104 WeakPolarHBondContact CD1-O 3.36Å; L86-G104 WeakPolarHBondContact CD2-O 3.11Å; L86-Y106 HydrophobicContact CB-CD1 3.52Å; L86-Y106 HydrophobicContact CB-CE1 4.34Å; L86-Y106 HydrophobicContact CB-CG 3.96Å; L86-Y106 HydrophobicContact CD2-CD1 3.38Å; L86-Y106 HydrophobicContact CD2-CE1 3.81Å; L86-Y106 HydrophobicContact CG-CD1 4.03Å |
| 87 | C | 82 | Confident | 83 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -69.3 | -26.5 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 114.2 | R85 S89 K90 C98 I99 E100 | R85-C87 PolarHBondContact O-N 3.29Å; C87-S89 PolarHBondContact O-N 3.32Å; C87-K90 PolarHBondContact O-N 3.04Å; C87-C98 WeakPolarHBondContact CA-SG 2.99Å; C87-C98 HydrophobicContact CB-CB 3.68Å; C87-C98 WeakPolarHBondContact CB-SG 3.34Å; C87-C98 WeakPolarHBondContact SG-CB 3.45Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.1Å; C87-I99 VanDerWaalsContact SG-C 3.51Å; C87-I99 PolarHBondContact SG-N 2.76Å; C87-I99 VanDerWaalsContact SG-N 3.41Å; C87-E100 WeakPolarHBondContact CA-OE1 3.45Å; C87-E100 HydrophobicContact CB-CG 4.24Å; C87-E100 WeakPolarHBondContact CB-OE1 3.01Å; C87-E100 PolarHBondContact N-OE1 2.81Å |
| 88 | S | 78.5 | Confident | 83.4 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -66.9 | -26 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | D83 R85 L86 K90 | D83-S88 WeakPolarHBondContact OD2-CB 3.18Å; R85-S88 WeakPolarHBondContact O-CB 3.28Å; R85-S88 PolarHBondContact O-N 3.21Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.23Å; S88-K90 PolarHBondContact O-N 3.33Å |
| 89 | S | 77.8 | Confident | 83.3 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 60% | 0.601 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -74.1 | -1.1 | 173.4 | 72.9 | 0 | 0 | 0 | 0 | 114 | L86 C87 | L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 PolarHBondContact O-OG 2.78Å; C87-S89 PolarHBondContact O-N 3.32Å |
| 90 | K | 84.1 | Confident | 83 | Confident | 176 Ų | 176 | 67.8 Ų | 67.8 | 77% | 0.765 | 38% | 0.376 | S | S | * | . | trans | 52.1 | 55.6 | -178.2 | -57.9 | 178.3 | -177.3 | 177.2 | 0 | 113.3 | C87 S88 C92 | C87-K90 PolarHBondContact O-N 3.04Å; S88-K90 PolarHBondContact O-N 3.33Å; K90-C92 VanDerWaalsContact C-N 3.26Å; K90-C92 PolarHBondContact O-N 2.87Å | ||
| 91 | P | 86.1 | Confident | 82.3 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 20% | 0.195 | 40% | 0.404 | C | S | . | . | trans | -69.4 | -26.3 | 180 | 29.7 | -35.3 | 0 | 0 | 0 | 112.3 | L86 Y106 N118 | L86-P91 WeakPolarHBondContact O-CD 3.12Å; L86-P91 WeakPolarHBondContact O-CG 3.46Å; P91-Y106 HydrophobicContact CB-CD2 4.21Å; P91-Y106 HydrophobicContact CB-CE1 4.4Å; P91-Y106 HydrophobicContact CB-CE2 3.53Å; P91-Y106 HydrophobicContact CG-CD2 3.57Å; P91-Y106 HydrophobicContact CG-CE1 4.42Å; P91-Y106 HydrophobicContact CG-CE2 3.43Å; P91-Y106 VanDerWaalsContact CG-CE2 3.43Å; P91-Y106 HydrophobicContact CG-CG 4.15Å; P91-N118 WeakPolarHBondContact O-CB 3.48Å | ||
| 92 | C | 89.3 | Confident | 81 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.095 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -90.5 | 148.2 | 175.6 | -37 | 0 | 0 | 0 | 0 | 111 | K90 A96 C98 C108 | K90-C92 VanDerWaalsContact C-N 3.26Å; K90-C92 PolarHBondContact O-N 2.87Å; C92-A96 HydrophobicContact CB-CB 3.88Å; C92-C98 HydrophobicContact CB-CB 4.47Å; C92-C98 WeakPolarHBondContact SG-CB 3.26Å; C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.51Å; C92-C108 WeakPolarHBondContact SG-CB 3.43Å; C92-C108 CovalentContact SG-SG 2.02Å; C92-C108 PolarHBondContact SG-SG 3.07Å |
| 93 | P | 86.8 | Confident | 80.4 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | trans | -62.6 | 157.2 | 172.9 | 25.2 | -33.5 | 0 | 0 | 0 | 111.6 | N95 A96 N118 C119 | P93-N95 PolarHBondContact O-N 2.94Å; P93-A96 HydrophobicContact CG-CB 4.02Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.4Å; P93-N118 WeakPolarHBondContact CD-O 3.28Å; P93-C119 HydrophobicContact CG-CB 3.95Å | ||
| 94 | S | 82 | Confident | 79.7 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 97% | 0.965 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.8 | -172.1 | -44.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 95 | N | 85.3 | Confident | 80 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 1.3 | 178.1 | 66.5 | -18.7 | 0 | 0 | 0 | 113.6 | P93 P111 | P93-N95 PolarHBondContact O-N 2.94Å; N95-P111 HydrophobicContact CB-CG 4.4Å; N95-P111 WeakPolarHBondContact O-CG 3.15Å |
| 96 | A | 88.6 | Confident | 80.7 | Confident | 18 Ų | 18 | 75 Ų | 75 | 15% | 0.149 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -105.9 | 155.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C92 P93 C119 | C92-A96 HydrophobicContact CB-CB 3.88Å; P93-A96 HydrophobicContact CG-CB 4.02Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.4Å; A96-C119 HydrophobicContact CB-CB 4.2Å |
| 97 | T | 89.6 | Confident | 81.2 | Confident | 90 Ų | 90 | 76 Ų | 76 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.9 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | I99 V109 | T97-I99 HydrophobicContact CG2-CG1 4.38Å; T97-V109 PolarHBondContact N-O 3.22Å; T97-V109 VanDerWaalsContact N-O 3.14Å; T97-V109 PolarHBondContact O-N 3.11Å |
| 98 | C | 89.1 | Confident | 81.7 | Confident | 38 Ų | 38 | 75.3 Ų | 75.3 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.1 | 173.7 | -166.3 | 0 | 0 | 0 | 0 | 110.7 | C87 C92 | C87-C98 WeakPolarHBondContact CA-SG 2.99Å; C87-C98 HydrophobicContact CB-CB 3.68Å; C87-C98 WeakPolarHBondContact CB-SG 3.34Å; C87-C98 WeakPolarHBondContact SG-CB 3.45Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.1Å; C92-C98 HydrophobicContact CB-CB 4.47Å; C92-C98 WeakPolarHBondContact SG-CB 3.26Å |
| 99 | I | 86 | Confident | 82.3 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.9 | 177.8 | -53.2 | 175.5 | 0 | 0 | 0 | 108.4 | C87 T97 Y106 L107 V109 | C87-I99 VanDerWaalsContact SG-C 3.51Å; C87-I99 PolarHBondContact SG-N 2.76Å; C87-I99 VanDerWaalsContact SG-N 3.41Å; T97-I99 HydrophobicContact CG2-CG1 4.38Å; I99-Y106 CarbonylContact O-C 3.44Å; I99-Y106 WeakPolarHBondContact O-CA 3.06Å; I99-L107 PolarHBondContact N-O 3.35Å; I99-L107 PolarHBondContact O-N 3.4Å; I99-V109 HydrophobicContact CD1-CG2 3.62Å; I99-V109 HydrophobicContact CG1-CG2 4.34Å |
| 100 | E | 84.2 | Confident | 82.8 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 135.7 | 173.2 | -65.3 | -70.3 | 173 | 0 | 0 | 110.3 | R85 L86 C87 | R85-E100 VanDerWaalsContact CA-OE1 3.28Å; R85-E100 WeakPolarHBondContact CA-OE1 3.45Å; R85-E100 VanDerWaalsContact CB-OE1 3.26Å; R85-E100 WeakPolarHBondContact CB-OE1 3.16Å; L86-E100 PolarHBondContact N-OE1 3.39Å; L86-E100 VanDerWaalsContact N-OE1 3.1Å; L86-E100 PolarHBondContact N-OE2 2.04Å; C87-E100 WeakPolarHBondContact CA-OE1 3.45Å; C87-E100 HydrophobicContact CB-CG 4.24Å; C87-E100 WeakPolarHBondContact CB-OE1 3.01Å; C87-E100 PolarHBondContact N-OE1 2.81Å |
| 101 | R | 77.7 | Confident | 82.8 | Confident | 156 Ų | 156 | 67.2 Ų | 67.2 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.6 | 168.2 | -76.4 | -162.2 | 173.3 | -166 | 1.9 | 109.6 | G105 | R101-G105 WeakPolarHBondContact CA-O 3.26Å; R101-G105 PolarHBondContact N-O 2.65Å; R101-G105 PolarHBondContact O-N 3.18Å |
| 102 | G | 58.9 | Low | 82.5 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 154.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 103 | E | 66.9 | Low | 81.6 | Confident | 211 Ų | 211 | 75.3 Ų | 75.3 | 99% | 0.986 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 15.8 | -174.3 | -51.9 | 179.9 | 163.4 | 0 | 0 | 116 | ||
| 104 | G | 64.8 | Low | 81.4 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 46% | 0.464 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 29.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L86 | L86-G104 VanDerWaalsContact CD1-O 3.26Å; L86-G104 WeakPolarHBondContact CD1-O 3.36Å; L86-G104 WeakPolarHBondContact CD2-O 3.11Å |
| 105 | G | 74.5 | Confident | 81.3 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 167.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | R101 | R101-G105 WeakPolarHBondContact CA-O 3.26Å; R101-G105 PolarHBondContact N-O 2.65Å; R101-G105 PolarHBondContact O-N 3.18Å |
| 106 | Y | 86.8 | Confident | 81 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 166.4 | 170.1 | 68.7 | -75.3 | 0 | 0 | 0 | 110.4 | L86 P91 I99 N118 | L86-Y106 HydrophobicContact CB-CD1 3.52Å; L86-Y106 HydrophobicContact CB-CE1 4.34Å; L86-Y106 HydrophobicContact CB-CG 3.96Å; L86-Y106 HydrophobicContact CD2-CD1 3.38Å; L86-Y106 HydrophobicContact CD2-CE1 3.81Å; L86-Y106 HydrophobicContact CG-CD1 4.03Å; P91-Y106 HydrophobicContact CB-CD2 4.21Å; P91-Y106 HydrophobicContact CB-CE1 4.4Å; P91-Y106 HydrophobicContact CB-CE2 3.53Å; P91-Y106 HydrophobicContact CG-CD2 3.57Å; P91-Y106 HydrophobicContact CG-CE1 4.42Å; P91-Y106 HydrophobicContact CG-CE2 3.43Å; P91-Y106 VanDerWaalsContact CG-CE2 3.43Å; P91-Y106 HydrophobicContact CG-CG 4.15Å; I99-Y106 CarbonylContact O-C 3.44Å; I99-Y106 WeakPolarHBondContact O-CA 3.06Å; Y106-N118 WeakPolarHBondContact CE2-OD1 3.21Å; Y106-N118 VanDerWaalsContact CZ-OD1 3.3Å; Y106-N118 PolarHBondContact OH-ND2 3.34Å; Y106-N118 PolarHBondContact OH-OD1 3.43Å |
| 107 | L | 86.3 | Confident | 80.8 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125 | 173.7 | 175.7 | 66.5 | 0 | 0 | 0 | 109.2 | I99 | I99-L107 PolarHBondContact N-O 3.35Å; I99-L107 PolarHBondContact O-N 3.4Å |
| 108 | C | 91.9 | Very high | 80.7 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.4 | 166.3 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | C92 E117 C119 | C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.51Å; C92-C108 WeakPolarHBondContact SG-CB 3.43Å; C92-C108 CovalentContact SG-SG 2.02Å; C92-C108 PolarHBondContact SG-SG 3.07Å; C108-E117 WeakPolarHBondContact CB-O 3.47Å; C108-C119 VanDerWaalsContact CB-SG 3.51Å |
| 109 | V | 91.2 | Very high | 80.7 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.9 | 167 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | T97 I99 | T97-V109 PolarHBondContact N-O 3.22Å; T97-V109 VanDerWaalsContact N-O 3.14Å; T97-V109 PolarHBondContact O-N 3.11Å; I99-V109 HydrophobicContact CD1-CG2 3.62Å; I99-V109 HydrophobicContact CG1-CG2 4.34Å |
| 110 | C | 88.1 | Confident | 80.6 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 137.7 | -174 | -56 | 0 | 0 | 0 | 0 | 112.7 | Y114 C119 | C110-Y114 VanDerWaalsContact CB-O 3.29Å; C110-Y114 WeakPolarHBondContact CB-O 3.08Å; C110-C119 WeakPolarHBondContact CA-SG 3.46Å; C110-C119 HydrophobicContact CB-CB 3.73Å; C110-C119 WeakPolarHBondContact CB-SG 3.46Å; C110-C119 WeakPolarHBondContact SG-CA 3.38Å; C110-C119 WeakPolarHBondContact SG-CB 3.28Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.48Å |
| 111 | P | 84.7 | Confident | 80.1 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 162.8 | 170.9 | 29.5 | -33 | 0 | 0 | 0 | 110.7 | N95 G113 Y114 | N95-P111 HydrophobicContact CB-CG 4.4Å; N95-P111 WeakPolarHBondContact O-CG 3.15Å; P111-G113 PolarHBondContact O-N 2.82Å; P111-Y114 HydrophobicContact CG-CD2 3.83Å; P111-Y114 HydrophobicContact CG-CG 4.17Å; P111-Y114 PolarHBondContact O-N 2.58Å; P111-Y114 VanDerWaalsContact O-N 3.08Å |
| 112 | Q | 78.9 | Confident | 79.8 | Confident | 198 Ų | 198 | 72 Ų | 72 | 93% | 0.925 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 131.9 | 179.7 | -164 | -179.7 | 10.3 | 0 | 0 | 111.1 | ||
| 113 | G | 72.4 | Confident | 80.1 | Confident | 17 Ų | 17 | 72 Ų | 72 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 9.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P111 K122 Q123 | P111-G113 PolarHBondContact O-N 2.82Å; G113-K122 CarbonylContact O-C 3.42Å; G113-Q123 PolarHBondContact O-N 3.25Å |
| 114 | Y | 80.6 | Confident | 79.8 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.4 | 173.5 | -70.1 | -98.4 | 0 | 0 | 0 | 111.4 | C110 P111 C119 M121 K122 | C110-Y114 VanDerWaalsContact CB-O 3.29Å; C110-Y114 WeakPolarHBondContact CB-O 3.08Å; P111-Y114 HydrophobicContact CG-CD2 3.83Å; P111-Y114 HydrophobicContact CG-CG 4.17Å; P111-Y114 PolarHBondContact O-N 2.58Å; P111-Y114 VanDerWaalsContact O-N 3.08Å; Y114-C119 WeakPolarHBondContact CD1-O 3.09Å; Y114-M121 CarbonylContact C-O 3.51Å; Y114-M121 VanDerWaalsContact CA-O 3.32Å; Y114-M121 WeakPolarHBondContact CA-O 3.39Å; Y114-K122 HydrophobicContact CE1-CB 4.46Å; Y114-K122 HydrophobicContact CE1-CG 4.43Å |
| 115 | A | 80.1 | Confident | 79.7 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 21% | 0.207 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C119 Q120 M121 Q123 | A115-C119 CarbonylContact O-C 3.57Å; A115-C119 VanDerWaalsContact O-C 3.32Å; A115-C119 VanDerWaalsContact O-CA 3.27Å; A115-C119 WeakPolarHBondContact O-CA 3.5Å; A115-Q120 PolarHBondContact O-N 3.35Å; A115-M121 PolarHBondContact N-O 3.42Å; A115-M121 VanDerWaalsContact O-CB 3.31Å; A115-M121 WeakPolarHBondContact O-CB 3.33Å; A115-M121 PolarHBondContact O-N 3.05Å; A115-Q123 HydrophobicContact CB-CG 3.57Å |
| 116 | G | 79.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 71 Ų | 71 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 93.5 | 165.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N118 C119 | G116-N118 VanDerWaalsContact C-N 3.26Å; G116-N118 PolarHBondContact O-N 2.99Å; G116-C119 PolarHBondContact O-N 3.17Å |
| 117 | E | 84.6 | Confident | 78.3 | Confident | 151 Ų | 151 | 74.8 Ų | 74.8 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -42 | -175.5 | -172.9 | 177.4 | -173.8 | 0 | 0 | 112.5 | C108 | C108-E117 WeakPolarHBondContact CB-O 3.47Š|
| 118 | N | 88.4 | Confident | 76.9 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 21.4 | 175.4 | -61.1 | -24.5 | 0 | 0 | 0 | 114.1 | P91 P93 Y106 G116 Q120 | P91-N118 WeakPolarHBondContact O-CB 3.48Å; P93-N118 WeakPolarHBondContact CD-O 3.28Å; Y106-N118 WeakPolarHBondContact CE2-OD1 3.21Å; Y106-N118 VanDerWaalsContact CZ-OD1 3.3Å; Y106-N118 PolarHBondContact OH-ND2 3.34Å; Y106-N118 PolarHBondContact OH-OD1 3.43Å; G116-N118 VanDerWaalsContact C-N 3.26Å; G116-N118 PolarHBondContact O-N 2.99Å; N118-Q120 VanDerWaalsContact CA-NE2 3.27Å; N118-Q120 VanDerWaalsContact CB-NE2 3.35Å; N118-Q120 PolarHBondContact O-N 3.38Å |
| 119 | C | 88.3 | Confident | 75 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 52.8 | 32.4 | -179.6 | -46.6 | 0 | 0 | 0 | 0 | 115.1 | P93 A96 C108 C110 Y114 A115 G116 | P93-C119 HydrophobicContact CG-CB 3.95Å; A96-C119 HydrophobicContact CB-CB 4.2Å; C108-C119 VanDerWaalsContact CB-SG 3.51Å; C110-C119 WeakPolarHBondContact CA-SG 3.46Å; C110-C119 HydrophobicContact CB-CB 3.73Å; C110-C119 WeakPolarHBondContact CB-SG 3.46Å; C110-C119 WeakPolarHBondContact SG-CA 3.38Å; C110-C119 WeakPolarHBondContact SG-CB 3.28Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.48Å; Y114-C119 WeakPolarHBondContact CD1-O 3.09Å; A115-C119 CarbonylContact O-C 3.57Å; A115-C119 VanDerWaalsContact O-C 3.32Å; A115-C119 VanDerWaalsContact O-CA 3.27Å; A115-C119 WeakPolarHBondContact O-CA 3.5Å; G116-C119 PolarHBondContact O-N 3.17Å |
| 120 | Q | 82.9 | Confident | 73.5 | Confident | 112 Ų | 112 | 81.4 Ų | 81.4 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | trans | -88.4 | -19.4 | -173.7 | 72.8 | -75.2 | 176.5 | 0 | 0 | 112.1 | A115 N118 | A115-Q120 PolarHBondContact O-N 3.35Å; N118-Q120 VanDerWaalsContact CA-NE2 3.27Å; N118-Q120 VanDerWaalsContact CB-NE2 3.35Å; N118-Q120 PolarHBondContact O-N 3.38Å | ||
| 121 | M | 75.6 | Confident | 72.8 | Confident | 113 Ų | 113 | 82.1 Ų | 82.1 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.2 | -179.5 | -54.3 | -179.8 | -177.9 | 0 | 0 | 108.3 | Y114 A115 Q123 | Y114-M121 CarbonylContact C-O 3.51Å; Y114-M121 VanDerWaalsContact CA-O 3.32Å; Y114-M121 WeakPolarHBondContact CA-O 3.39Å; A115-M121 PolarHBondContact N-O 3.42Å; A115-M121 VanDerWaalsContact O-CB 3.31Å; A115-M121 WeakPolarHBondContact O-CB 3.33Å; A115-M121 PolarHBondContact O-N 3.05Å; M121-Q123 PolarHBondContact O-N 3.13Å |
| 122 | K | 70.8 | Confident | 72.4 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 46% | 0.457 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.4 | 167.2 | -162.7 | 178.1 | -172.9 | -173.4 | 0 | 107.7 | G113 Y114 R124 G144 S145 | G113-K122 CarbonylContact O-C 3.42Å; Y114-K122 HydrophobicContact CE1-CB 4.46Å; Y114-K122 HydrophobicContact CE1-CG 4.43Å; K122-R124 PolarHBondContact O-N 3.3Å; K122-G144 PolarHBondContact NZ-O 2.03Å; K122-G144 VanDerWaalsContact NZ-O 3.11Å; K122-S145 VanDerWaalsContact NZ-CA 3.35Å; K122-S145 PolarHBondContact NZ-O 3.21Å |
| 123 | Q | 63.8 | Low | 72.6 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | trans | -65.1 | 121.3 | 176.6 | -84.8 | -175 | -41.8 | 0 | 0 | 109.2 | G113 A115 M121 L125 L128 | G113-Q123 PolarHBondContact O-N 3.25Å; A115-Q123 HydrophobicContact CB-CG 3.57Å; M121-Q123 PolarHBondContact O-N 3.13Å; Q123-L125 PolarHBondContact O-N 2.78Å; Q123-L128 HydrophobicContact CB-CD1 3.51Å; Q123-L128 HydrophobicContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact NE2-CD1 3.33Å; Q123-L128 VanDerWaalsContact NE2-CD2 3.33Å | ||
| 124 | R | 62 | Low | 73.2 | Confident | 158 Ų | 158 | 78 Ų | 78 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | trans | -79.3 | 108.9 | 169.5 | -75.5 | -171.2 | 177.6 | -169.3 | 1.5 | 107.9 | K122 C126 L127 E141 | K122-R124 PolarHBondContact O-N 3.3Å; R124-C126 PolarHBondContact O-N 3.04Å; R124-L127 HydrophobicContact CB-CB 4.3Å; R124-L127 HydrophobicContact CB-CD1 3.79Å; R124-L127 HydrophobicContact CB-CG 4.35Å; R124-L127 HydrophobicContact CG-CD1 4.37Å; R124-L127 PolarHBondContact O-N 2.85Å; R124-E141 WeakPolarHBondContact CA-OE1 3.34Å; R124-E141 WeakPolarHBondContact CA-OE2 3.25Å; R124-E141 HydrophobicContact CB-CG 4.42Å; R124-E141 VanDerWaalsContact CB-OE1 3.28Å; R124-E141 WeakPolarHBondContact CB-OE1 3.27Å; R124-E141 HydrophobicContact CG-CG 4.4Å | ||
| 125 | L | 63.1 | Low | 73.3 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -60.7 | -26.7 | -173.6 | -92.2 | 78.8 | 0 | 0 | 0 | 112.3 | Q123 L127 E141 P149 | Q123-L125 PolarHBondContact O-N 2.78Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 3.14Å; L125-E141 PolarHBondContact N-OE1 2.99Å; L125-E141 VanDerWaalsContact N-OE1 3.09Å; L125-P149 HydrophobicContact CB-CB 4.07Å; L125-P149 HydrophobicContact CB-CG 3.85Å; L125-P149 HydrophobicContact CD2-CG 3.58Å; L125-P149 HydrophobicContact CG-CG 4.31Å |
| 126 | C | 67.1 | Low | 73.4 | Confident | 24 Ų | 24 | 80.5 Ų | 80.5 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -72.5 | -15.3 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | R124 C139 E141 | R124-C126 PolarHBondContact O-N 3.04Å; C126-C139 WeakPolarHBondContact CA-SG 3.22Å; C126-C139 HydrophobicContact CB-CB 3.67Å; C126-C139 WeakPolarHBondContact CB-SG 3.27Å; C126-C139 VanDerWaalsContact SG-C 3.51Å; C126-C139 WeakPolarHBondContact SG-CB 3.41Å; C126-C139 CovalentContact SG-SG 2.03Å; C126-C139 PolarHBondContact SG-SG 2.94Å; C126-E141 HydrophobicContact CB-CG 4.3Å; C126-E141 WeakPolarHBondContact CB-OE1 3.02Å; C126-E141 PolarHBondContact N-OE1 3.11Å; C126-E141 PolarHBondContact SG-OE1 3Å |
| 127 | L | 63.6 | Low | 73.6 | Confident | 133 Ų | 133 | 79.4 Ų | 79.4 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -105.6 | -6.9 | -174.8 | -72.3 | 163.8 | 0 | 0 | 0 | 113.5 | R124 L125 | R124-L127 HydrophobicContact CB-CB 4.3Å; R124-L127 HydrophobicContact CB-CD1 3.79Å; R124-L127 HydrophobicContact CB-CG 4.35Å; R124-L127 HydrophobicContact CG-CD1 4.37Å; R124-L127 PolarHBondContact O-N 2.85Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 3.14Å |
| 128 | L | 57.5 | Low | 73.6 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 38% | 0.382 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -93.2 | 112.2 | 178.7 | -89.4 | 133.6 | 0 | 0 | 0 | 111.2 | Q123 G130 | Q123-L128 HydrophobicContact CB-CD1 3.51Å; Q123-L128 HydrophobicContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact NE2-CD1 3.33Å; Q123-L128 VanDerWaalsContact NE2-CD2 3.33Å; L128-G130 PolarHBondContact O-N 3.33Å |
| 129 | N | 51.2 | Low | 73.4 | Confident | 172 Ų | 172 | 75.3 Ų | 75.3 | 92% | 0.92 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 62.1 | 19.5 | 170.9 | -65.4 | -25 | 0 | 0 | 0 | 116.7 | ||
| 130 | G | 60.9 | Low | 72.8 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 106.7 | 158.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L128 | L128-G130 PolarHBondContact O-N 3.33Š|
| 131 | S | 71.8 | Confident | 72.1 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | trans | -55.3 | 128.6 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110 | C133 C139 | S131-C133 PolarHBondContact O-N 3.39Å; S131-C133 WeakPolarHBondContact OG-CB 3Å; S131-C133 PolarHBondContact OG-N 3.06Å; S131-C139 WeakPolarHBondContact OG-CB 3.47Å | ||
| 132 | P | 77.4 | Confident | 71.4 | Confident | 47 Ų | 47 | 72 Ų | 72 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -65.5 | -12.6 | 172.6 | 27.9 | -35.3 | 0 | 0 | 0 | 112.7 | C139 L161 | P132-C139 VanDerWaalsContact CD-SG 3.59Å; P132-L161 HydrophobicContact CB-CD2 4.26Å |
| 133 | C | 82.5 | Confident | 70.5 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 9% | 0.088 | 43% | 0.431 | C | S | . | . | trans | -78.9 | 130.4 | -179.9 | -47.5 | 0 | 0 | 0 | 0 | 111.6 | S131 G137 C139 C151 | S131-C133 PolarHBondContact O-N 3.39Å; S131-C133 WeakPolarHBondContact OG-CB 3Å; S131-C133 PolarHBondContact OG-N 3.06Å; C133-G137 VanDerWaalsContact CB-O 3.31Å; C133-G137 WeakPolarHBondContact CB-O 3.1Å; C133-C139 WeakPolarHBondContact SG-CA 3.44Å; C133-C139 VanDerWaalsContact SG-CB 3.53Å; C133-C151 WeakPolarHBondContact CA-SG 3.25Å; C133-C151 HydrophobicContact CB-CB 3.68Å; C133-C151 WeakPolarHBondContact CB-SG 3.38Å; C133-C151 WeakPolarHBondContact SG-CA 3.43Å; C133-C151 WeakPolarHBondContact SG-CB 3.39Å; C133-C151 CovalentContact SG-SG 2.02Å; C133-C151 PolarHBondContact SG-SG 3Å | ||
| 134 | Q | 84.3 | Confident | 69.8 | Low | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | trans | -89.4 | 173.4 | 177.3 | -59.4 | -167.3 | 23.6 | 0 | 0 | 111.7 | G136 G137 L161 | Q134-G136 PolarHBondContact O-N 2.94Å; Q134-G137 PolarHBondContact O-N 2.95Å; Q134-L161 PolarHBondContact N-O 2.95Å | ||
| 135 | N | 84.6 | Confident | 69 | Low | 81 Ų | 81 | 69.7 Ų | 69.7 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 29.5 | 173 | -59.8 | -54.5 | 0 | 0 | 0 | 115.2 | P154 F157 C162 | N135-P154 VanDerWaalsContact O-CG 3.27Å; N135-P154 WeakPolarHBondContact O-CG 3.33Å; N135-F157 HydrophobicContact CB-CD1 3.69Å; N135-F157 HydrophobicContact CB-CD2 4.11Å; N135-F157 HydrophobicContact CB-CE1 3.64Å; N135-F157 HydrophobicContact CB-CE2 4.07Å; N135-F157 HydrophobicContact CB-CG 3.92Å; N135-F157 HydrophobicContact CB-CZ 3.83Å; N135-F157 WeakPolarHBondContact ND2-CD1 3.48Å; N135-F157 WeakPolarHBondContact ND2-CE1 3.33Å; N135-C162 PolarHBondContact ND2-O 2.83Å |
| 136 | G | 80.6 | Confident | 68.1 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 17.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q134 | Q134-G136 PolarHBondContact O-N 2.94Š|
| 137 | G | 85.2 | Confident | 67.2 | Low | 9 Ų | 9 | 72 Ų | 72 | 9% | 0.093 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 141.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | C133 Q134 L152 | C133-G137 VanDerWaalsContact CB-O 3.31Å; C133-G137 WeakPolarHBondContact CB-O 3.1Å; Q134-G137 PolarHBondContact O-N 2.95Å; G137-L152 VanDerWaalsContact CA-O 3.3Å; G137-L152 WeakPolarHBondContact CA-O 3.44Å |
| 138 | T | 84.4 | Confident | 66.8 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.4 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | V140 L152 | T138-V140 HydrophobicContact CG2-CG1 4.38Å; T138-V140 PolarHBondContact O-N 3.32Å; T138-L152 PolarHBondContact N-O 3.34Å; T138-L152 PolarHBondContact O-N 2.96Å |
| 139 | C | 82.7 | Confident | 66.8 | Low | 23 Ų | 23 | 70.3 Ų | 70.3 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 124.9 | 173.3 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | C126 S131 P132 C133 | C126-C139 WeakPolarHBondContact CA-SG 3.22Å; C126-C139 HydrophobicContact CB-CB 3.67Å; C126-C139 WeakPolarHBondContact CB-SG 3.27Å; C126-C139 VanDerWaalsContact SG-C 3.51Å; C126-C139 WeakPolarHBondContact SG-CB 3.41Å; C126-C139 CovalentContact SG-SG 2.03Å; C126-C139 PolarHBondContact SG-SG 2.94Å; S131-C139 WeakPolarHBondContact OG-CB 3.47Å; P132-C139 VanDerWaalsContact CD-SG 3.59Å; C133-C139 WeakPolarHBondContact SG-CA 3.44Å; C133-C139 VanDerWaalsContact SG-CB 3.53Å |
| 140 | V | 77.7 | Confident | 67.8 | Low | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.297 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128 | 171.6 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | T138 A142 S150 L152 | T138-V140 HydrophobicContact CG2-CG1 4.38Å; T138-V140 PolarHBondContact O-N 3.32Å; V140-A142 PolarHBondContact O-N 3.25Å; V140-S150 VanDerWaalsContact CG2-O 3.24Å; V140-S150 WeakPolarHBondContact CG2-O 3.04Å; V140-S150 WeakPolarHBondContact CG2-OG 3.1Å; V140-S150 PolarHBondContact N-O 2.82Å; V140-S150 PolarHBondContact O-N 2.84Å; V140-L152 HydrophobicContact CG1-CD1 3.66Å; V140-L152 HydrophobicContact CG1-CG 4.07Å; V140-L152 HydrophobicContact CG2-CG 4.21Å |
| 141 | E | 66.6 | Low | 68.8 | Low | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 43% | 0.428 | S | S | . | . | trans | -66.4 | 119.8 | 173.7 | -69.3 | -71.5 | 149.1 | 0 | 0 | 108.3 | R124 L125 C126 S143 | R124-E141 WeakPolarHBondContact CA-OE1 3.34Å; R124-E141 WeakPolarHBondContact CA-OE2 3.25Å; R124-E141 HydrophobicContact CB-CG 4.42Å; R124-E141 VanDerWaalsContact CB-OE1 3.28Å; R124-E141 WeakPolarHBondContact CB-OE1 3.27Å; R124-E141 HydrophobicContact CG-CG 4.4Å; L125-E141 PolarHBondContact N-OE1 2.99Å; L125-E141 VanDerWaalsContact N-OE1 3.09Å; C126-E141 HydrophobicContact CB-CG 4.3Å; C126-E141 WeakPolarHBondContact CB-OE1 3.02Å; C126-E141 PolarHBondContact N-OE1 3.11Å; C126-E141 PolarHBondContact SG-OE1 3Å; E141-S143 PolarHBondContact O-N 3.36Å | ||
| 142 | A | 61 | Low | 69.4 | Low | 30 Ų | 30 | 65.7 Ų | 65.7 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | trans | -66.3 | 127.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V140 G144 A147 | V140-A142 PolarHBondContact O-N 3.25Å; A142-G144 PolarHBondContact O-N 3.21Å; A142-A147 HydrophobicContact CB-CB 3.38Å | ||
| 143 | S | 52 | Low | 69.7 | Low | 134 Ų | 134 | 65.6 Ų | 65.6 | 94% | 0.937 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -72.6 | 76.7 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 110.3 | E141 | E141-S143 PolarHBondContact O-N 3.36Š|
| 144 | G | 50.5 | Low | 69.6 | Low | 40 Ų | 40 | 66.9 Ų | 66.9 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -177.1 | 157.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K122 A142 A146 | K122-G144 PolarHBondContact NZ-O 2.03Å; K122-G144 VanDerWaalsContact NZ-O 3.11Å; A142-G144 PolarHBondContact O-N 3.21Å; G144-A146 VanDerWaalsContact C-N 3.26Å; G144-A146 PolarHBondContact O-N 3.49Å |
| 145 | S | 43.8 | Very low | 69.1 | Low | 110 Ų | 110 | 67.4 Ų | 67.4 | 77% | 0.769 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.3 | -178.4 | 41.2 | 0 | 0 | 0 | 0 | 114 | K122 | K122-S145 VanDerWaalsContact NZ-CA 3.35Å; K122-S145 PolarHBondContact NZ-O 3.21Å |
| 146 | A | 44.6 | Very low | 68.6 | Low | 98 Ų | 98 | 64.5 Ų | 64.5 | 81% | 0.81 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.9 | 37.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | G144 | G144-A146 VanDerWaalsContact C-N 3.26Å; G144-A146 PolarHBondContact O-N 3.49Å |
| 147 | A | 48.1 | Very low | 68.7 | Low | 58 Ų | 58 | 64 Ų | 64 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -112.2 | 122.1 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | A142 | A142-A147 HydrophobicContact CB-CB 3.38Š| ||
| 148 | D | 54.5 | Low | 68.5 | Low | 142 Ų | 142 | 65.5 Ų | 65.5 | 76% | 0.759 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 145 | 173.2 | -62 | -56.2 | 0 | 0 | 0 | 110.6 | S150 | D148-S150 PolarHBondContact O-N 3.07Š|
| 149 | P | 58.8 | Low | 68 | Low | 28 Ų | 28 | 62.8 Ų | 62.8 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 125.1 | 173.7 | 26.5 | -36 | 0 | 0 | 0 | 108.9 | L125 | L125-P149 HydrophobicContact CB-CB 4.07Å; L125-P149 HydrophobicContact CB-CG 3.85Å; L125-P149 HydrophobicContact CD2-CG 3.58Å; L125-P149 HydrophobicContact CG-CG 4.31Å |
| 150 | S | 71.1 | Confident | 67.8 | Low | 57 Ų | 57 | 65.6 Ų | 65.6 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.8 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | V140 D148 | V140-S150 VanDerWaalsContact CG2-O 3.24Å; V140-S150 WeakPolarHBondContact CG2-O 3.04Å; V140-S150 WeakPolarHBondContact CG2-OG 3.1Å; V140-S150 PolarHBondContact N-O 2.82Å; V140-S150 PolarHBondContact O-N 2.84Å; D148-S150 PolarHBondContact O-N 3.07Å |
| 151 | C | 82.2 | Confident | 68 | Low | 18 Ų | 18 | 66.4 Ų | 66.4 | 12% | 0.122 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.1 | 173.4 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | C133 A160 C162 | C133-C151 WeakPolarHBondContact CA-SG 3.25Å; C133-C151 HydrophobicContact CB-CB 3.68Å; C133-C151 WeakPolarHBondContact CB-SG 3.38Å; C133-C151 WeakPolarHBondContact SG-CA 3.43Å; C133-C151 WeakPolarHBondContact SG-CB 3.39Å; C133-C151 CovalentContact SG-SG 2.02Å; C133-C151 PolarHBondContact SG-SG 3Å; C151-A160 VanDerWaalsContact CB-O 3.31Å; C151-A160 WeakPolarHBondContact CB-O 3.02Å; C151-A160 PolarHBondContact SG-O 3.38Å; C151-C162 WeakPolarHBondContact CB-SG 3.4Å |
| 152 | L | 84.6 | Confident | 68.9 | Low | 104 Ų | 104 | 62.8 Ų | 62.8 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 109.5 | 167.6 | -62.3 | 177.6 | 0 | 0 | 0 | 108.6 | G137 T138 V140 | G137-L152 VanDerWaalsContact CA-O 3.3Å; G137-L152 WeakPolarHBondContact CA-O 3.44Å; T138-L152 PolarHBondContact N-O 3.34Å; T138-L152 PolarHBondContact O-N 2.96Å; V140-L152 HydrophobicContact CG1-CD1 3.66Å; V140-L152 HydrophobicContact CG1-CG 4.07Å; V140-L152 HydrophobicContact CG2-CG 4.21Å |
| 153 | C | 84 | Confident | 70 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 31% | 0.311 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 138.6 | -174.7 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | F157 C162 | C153-F157 HydrophobicContact CB-CB 4.36Å; C153-F157 WeakPolarHBondContact CB-O 3.31Å; C153-C162 WeakPolarHBondContact CA-SG 3.31Å; C153-C162 HydrophobicContact CB-CB 3.73Å; C153-C162 WeakPolarHBondContact CB-SG 3.14Å; C153-C162 WeakPolarHBondContact SG-CA 3.06Å; C153-C162 WeakPolarHBondContact SG-CB 3.5Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 3.44Å |
| 154 | P | 79.9 | Confident | 71.3 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 160.7 | 170.7 | 26.1 | -28.7 | 0 | 0 | 0 | 111.1 | N135 G156 F157 | N135-P154 VanDerWaalsContact O-CG 3.27Å; N135-P154 WeakPolarHBondContact O-CG 3.33Å; P154-G156 PolarHBondContact O-N 3.48Å; P154-F157 HydrophobicContact CG-CD2 4.02Å; P154-F157 PolarHBondContact O-N 3.03Å; P154-F157 VanDerWaalsContact O-N 3.14Å |
| 155 | P | 75 | Confident | 72.5 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 76% | 0.76 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.5 | 175.8 | -25.1 | 34 | 0 | 0 | 0 | 112.2 | ||
| 156 | G | 74.3 | Confident | 74 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P154 S165 V166 | P154-G156 PolarHBondContact O-N 3.48Å; G156-S165 CarbonylContact O-C 3.5Å; G156-S165 WeakPolarHBondContact O-CA 3.49Å; G156-V166 WeakPolarHBondContact CA-O 3.46Å; G156-V166 PolarHBondContact O-N 3.07Å |
| 157 | F | 81.5 | Confident | 75.3 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.5 | 173.8 | -62.9 | -87 | 0 | 0 | 0 | 111.8 | N135 C153 P154 C162 I164 | N135-F157 HydrophobicContact CB-CD1 3.69Å; N135-F157 HydrophobicContact CB-CD2 4.11Å; N135-F157 HydrophobicContact CB-CE1 3.64Å; N135-F157 HydrophobicContact CB-CE2 4.07Å; N135-F157 HydrophobicContact CB-CG 3.92Å; N135-F157 HydrophobicContact CB-CZ 3.83Å; N135-F157 WeakPolarHBondContact ND2-CD1 3.48Å; N135-F157 WeakPolarHBondContact ND2-CE1 3.33Å; C153-F157 HydrophobicContact CB-CB 4.36Å; C153-F157 WeakPolarHBondContact CB-O 3.31Å; P154-F157 HydrophobicContact CG-CD2 4.02Å; P154-F157 PolarHBondContact O-N 3.03Å; P154-F157 VanDerWaalsContact O-N 3.14Å; F157-C162 HydrophobicContact CB-CB 4.42Å; F157-I164 CarbonylContact C-O 3.46Å; F157-I164 VanDerWaalsContact CA-O 3.24Å; F157-I164 WeakPolarHBondContact CA-O 3.5Å |
| 158 | S | 80.5 | Confident | 76.6 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | -174.4 | 178.4 | 71.4 | 0 | 0 | 0 | 0 | 110.7 | C162 D163 I164 V166 | S158-C162 CarbonylContact O-C 3.57Å; S158-C162 VanDerWaalsContact O-CA 3.29Å; S158-C162 WeakPolarHBondContact O-CA 3.34Å; S158-D163 PolarHBondContact O-N 3.05Å; S158-I164 PolarHBondContact N-O 3.3Å; S158-I164 VanDerWaalsContact O-CB 3.3Å; S158-I164 WeakPolarHBondContact O-CB 3Å; S158-I164 PolarHBondContact O-N 2.03Å; S158-V166 VanDerWaalsContact CB-CG2 3.43Å; S158-V166 WeakPolarHBondContact OG-CG2 3.22Å |
| 159 | G | 75.1 | Confident | 77.8 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 92.1 | 165.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L161 C162 | G159-L161 PolarHBondContact O-N 3.4Å; G159-C162 PolarHBondContact O-N 2.97Å |
| 160 | A | 79 | Confident | 78.8 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C151 | C151-A160 VanDerWaalsContact CB-O 3.31Å; C151-A160 WeakPolarHBondContact CB-O 3.02Å; C151-A160 PolarHBondContact SG-O 3.38Å |
| 161 | L | 81.6 | Confident | 78.8 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 11.6 | -179.3 | -59.9 | 177.9 | 0 | 0 | 0 | 113.1 | P132 Q134 G159 D163 | P132-L161 HydrophobicContact CB-CD2 4.26Å; Q134-L161 PolarHBondContact N-O 2.95Å; G159-L161 PolarHBondContact O-N 3.4Å; L161-D163 PolarHBondContact O-N 2.76Å |
| 162 | C | 85.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 58.4 | 29 | -175.2 | -47.9 | 0 | 0 | 0 | 0 | 114.1 | N135 C151 C153 F157 S158 G159 | N135-C162 PolarHBondContact ND2-O 2.83Å; C151-C162 WeakPolarHBondContact CB-SG 3.4Å; C153-C162 WeakPolarHBondContact CA-SG 3.31Å; C153-C162 HydrophobicContact CB-CB 3.73Å; C153-C162 WeakPolarHBondContact CB-SG 3.14Å; C153-C162 WeakPolarHBondContact SG-CA 3.06Å; C153-C162 WeakPolarHBondContact SG-CB 3.5Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 3.44Å; F157-C162 HydrophobicContact CB-CB 4.42Å; S158-C162 CarbonylContact O-C 3.57Å; S158-C162 VanDerWaalsContact O-CA 3.29Å; S158-C162 WeakPolarHBondContact O-CA 3.34Å; G159-C162 PolarHBondContact O-N 2.97Å |
| 163 | D | 83 | Confident | 78.8 | Confident | 84 Ų | 84 | 60 Ų | 60 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | trans | -87.4 | -16.2 | -178.8 | 59 | -39.8 | 0 | 0 | 0 | 113 | S158 L161 | S158-D163 PolarHBondContact O-N 3.05Å; L161-D163 PolarHBondContact O-N 2.76Å | ||
| 164 | I | 79.3 | Confident | 79.1 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.7 | -178.9 | -51.2 | 175.7 | 0 | 0 | 0 | 109 | F157 S158 V166 | F157-I164 CarbonylContact C-O 3.46Å; F157-I164 VanDerWaalsContact CA-O 3.24Å; F157-I164 WeakPolarHBondContact CA-O 3.5Å; S158-I164 PolarHBondContact N-O 3.3Å; S158-I164 VanDerWaalsContact O-CB 3.3Å; S158-I164 WeakPolarHBondContact O-CB 3Å; S158-I164 PolarHBondContact O-N 2.03Å; I164-V166 PolarHBondContact O-N 3.14Å |
| 165 | S | 76.1 | Confident | 79.6 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.5 | 169 | -176.4 | 0 | 0 | 0 | 0 | 110 | G156 | G156-S165 CarbonylContact O-C 3.5Å; G156-S165 WeakPolarHBondContact O-CA 3.49Å |
| 166 | V | 75.3 | Confident | 80.3 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | trans | -102 | 115.1 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 107.1 | G156 S158 I164 Q170 | G156-V166 WeakPolarHBondContact CA-O 3.46Å; G156-V166 PolarHBondContact O-N 3.07Å; S158-V166 VanDerWaalsContact CB-CG2 3.43Å; S158-V166 WeakPolarHBondContact OG-CG2 3.22Å; I164-V166 PolarHBondContact O-N 3.14Å; V166-Q170 HydrophobicContact CG1-CB 3.97Å; V166-Q170 WeakPolarHBondContact CG1-O 3.34Å | ||
| 167 | G | 72.6 | Confident | 80.9 | Confident | 23 Ų | 23 | 61 Ų | 61 | 24% | 0.237 | 38% | 0.382 | C | S | . | . | trans | -56.2 | 148.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C169 Q170 D182 | G167-C169 PolarHBondContact O-N 3.41Å; G167-Q170 PolarHBondContact O-N 2.95Å; G167-D182 WeakPolarHBondContact CA-OD2 3.21Å | ||
| 168 | S | 75.7 | Confident | 81.3 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.7 | -177.5 | -68.8 | 0 | 0 | 0 | 0 | 113.7 | D182 G184 L185 A186 | S168-D182 WeakPolarHBondContact CB-OD1 3.05Å; S168-D182 PolarHBondContact N-OD1 3.27Å; S168-D182 PolarHBondContact N-OD2 3.19Å; S168-G184 VanDerWaalsContact OG-C 3.32Å; S168-G184 PolarHBondContact OG-O 2.72Å; S168-L185 WeakPolarHBondContact OG-CA 3.44Å; S168-A186 VanDerWaalsContact CB-C 3.46Å; S168-A186 VanDerWaalsContact CB-O 3.22Å; S168-A186 WeakPolarHBondContact CB-O 3.35Å; S168-A186 PolarHBondContact OG-N 3.3Å; S168-A186 VanDerWaalsContact OG-N 3.13Å; S168-A186 PolarHBondContact OG-O 3.31Å |
| 169 | C | 79.6 | Confident | 81.8 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 9.4 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 114.8 | G167 P171 N172 C180 D182 | G167-C169 PolarHBondContact O-N 3.41Å; C169-P171 CarbonylContact C-O 3.54Å; C169-P171 CarbonylContact O-C 3.56Å; C169-N172 WeakPolarHBondContact O-CA 3.39Å; C169-N172 PolarHBondContact O-N 3.45Å; C169-N172 VanDerWaalsContact O-N 3.15Å; C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 HydrophobicContact CB-CB 3.73Å; C169-C180 WeakPolarHBondContact CB-SG 3.34Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.03Å; C169-C180 PolarHBondContact SG-SG 2.95Å; C169-D182 HydrophobicContact CB-CB 4.38Å; C169-D182 PolarHBondContact SG-N 3.17Å |
| 170 | Q | 78.1 | Confident | 82.5 | Confident | 150 Ų | 150 | 61.5 Ų | 61.5 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -130.9 | 119.4 | -179.2 | -160.9 | 143.4 | -21.4 | 0 | 0 | 112.5 | V166 G167 | V166-Q170 HydrophobicContact CG1-CB 3.97Å; V166-Q170 WeakPolarHBondContact CG1-O 3.34Å; G167-Q170 PolarHBondContact O-N 2.95Å |
| 171 | P | 71.6 | Confident | 83 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 78% | 0.779 | 37% | 0.366 | S | S | * | . | S | Bend | cis | -61 | 152.4 | -9.8 | 28.4 | -34.5 | 0 | 0 | 0 | 112 | C169 P173 | C169-P171 CarbonylContact C-O 3.54Å; C169-P171 CarbonylContact O-C 3.56Å; P171-P173 WeakPolarHBondContact O-CD 3.31Å; P171-P173 VanDerWaalsContact O-N 3.08Å |
| 172 | N | 83.4 | Confident | 83 | Confident | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | trans | -58.3 | 112.7 | -174.4 | -175.3 | -1.8 | 0 | 0 | 0 | 111 | C169 C174 C180 | C169-N172 WeakPolarHBondContact O-CA 3.39Å; C169-N172 PolarHBondContact O-N 3.45Å; C169-N172 VanDerWaalsContact O-N 3.15Å; N172-C174 VanDerWaalsContact C-N 3.28Å; N172-C174 PolarHBondContact O-N 2.94Å; N172-C174 WeakPolarHBondContact OD1-CB 3.5Å; N172-C174 PolarHBondContact OD1-N 3.31Å; N172-C180 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 173 | P | 84.3 | Confident | 82.7 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | trans | -77.7 | -12.8 | -178.7 | 32.7 | -36.3 | 0 | 0 | 0 | 113.1 | P171 L175 F187 T199 | P171-P173 WeakPolarHBondContact O-CD 3.31Å; P171-P173 VanDerWaalsContact O-N 3.08Å; P173-L175 PolarHBondContact O-N 3.22Å; P173-F187 HydrophobicContact CB-CD1 4.38Å; P173-F187 HydrophobicContact CB-CD2 4.14Å; P173-F187 HydrophobicContact CB-CE1 3.89Å; P173-F187 HydrophobicContact CB-CE2 3.63Å; P173-F187 HydrophobicContact CB-CG 4.5Å; P173-F187 HydrophobicContact CB-CZ 3.47Å; P173-F187 VanDerWaalsContact CB-CZ 3.47Å; P173-F187 HydrophobicContact CG-CB 4.37Å; P173-F187 HydrophobicContact CG-CD1 3.8Å; P173-F187 HydrophobicContact CG-CD2 3.36Å; P173-F187 HydrophobicContact CG-CE1 3.81Å; P173-F187 HydrophobicContact CG-CE2 3.39Å; P173-F187 HydrophobicContact CG-CG 3.57Å; P173-F187 HydrophobicContact CG-CZ 3.6Å; P173-T199 WeakPolarHBondContact O-CB 3.22Å | ||
| 174 | C | 90.2 | Very high | 82.1 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.054 | 39% | 0.394 | C | S | . | . | trans | -82.2 | 116.5 | -179.7 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | N172 G178 C180 C189 | N172-C174 VanDerWaalsContact C-N 3.28Å; N172-C174 PolarHBondContact O-N 2.94Å; N172-C174 WeakPolarHBondContact OD1-CB 3.5Å; N172-C174 PolarHBondContact OD1-N 3.31Å; C174-G178 WeakPolarHBondContact CB-O 3.44Å; C174-C180 HydrophobicContact CB-CB 4.5Å; C174-C180 VanDerWaalsContact SG-CA 3.58Å; C174-C180 WeakPolarHBondContact SG-CB 3.36Å; C174-C189 WeakPolarHBondContact CA-SG 3.32Å; C174-C189 HydrophobicContact CB-CB 3.78Å; C174-C189 WeakPolarHBondContact CB-SG 3.31Å; C174-C189 WeakPolarHBondContact SG-CA 3.11Å; C174-C189 WeakPolarHBondContact SG-CB 3.01Å; C174-C189 CovalentContact SG-SG 2.02Å; C174-C189 PolarHBondContact SG-SG 3.44Å | ||
| 175 | L | 89.8 | Confident | 81.5 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | trans | -84.1 | 171.6 | 179.3 | -57.6 | 177.3 | 0 | 0 | 0 | 111.1 | P173 G177 G178 T199 C200 N201 | P173-L175 PolarHBondContact O-N 3.22Å; L175-G177 PolarHBondContact O-N 2.99Å; L175-G178 PolarHBondContact O-N 2.03Å; L175-T199 WeakPolarHBondContact CB-O 3.21Å; L175-T199 PolarHBondContact N-O 3.13Å; L175-C200 WeakPolarHBondContact O-CB 3.32Å; L175-N201 HydrophobicContact CD1-CB 4.09Å | ||
| 176 | N | 90.6 | Very high | 81.3 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.9 | 175 | -59.7 | -48.8 | 0 | 0 | 0 | 115.1 | P192 F195 C200 | N176-P192 WeakPolarHBondContact O-CG 3.36Å; N176-F195 HydrophobicContact CB-CD1 3.76Å; N176-F195 HydrophobicContact CB-CD2 4.29Å; N176-F195 HydrophobicContact CB-CE1 3.66Å; N176-F195 HydrophobicContact CB-CE2 4.21Å; N176-F195 HydrophobicContact CB-CG 4.07Å; N176-F195 HydrophobicContact CB-CZ 3.89Å; N176-F195 VanDerWaalsContact ND2-CD1 3.34Å; N176-F195 WeakPolarHBondContact ND2-CD1 3.45Å; N176-F195 VanDerWaalsContact ND2-CE1 3.33Å; N176-F195 WeakPolarHBondContact ND2-CE1 3.5Å; N176-C200 PolarHBondContact ND2-O 3.47Å |
| 177 | G | 86.2 | Confident | 81.7 | Confident | 74 Ų | 74 | 66 Ų | 66 | 76% | 0.763 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 19.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L175 | L175-G177 PolarHBondContact O-N 2.99Š|
| 178 | G | 89.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 140.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | C174 L175 A190 | C174-G178 WeakPolarHBondContact CB-O 3.44Å; L175-G178 PolarHBondContact O-N 2.03Å; G178-A190 WeakPolarHBondContact CA-O 3.48Å |
| 179 | N | 92 | Very high | 83.1 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 124 | 176.6 | -169.5 | 37.2 | 0 | 0 | 0 | 109.8 | A190 | N179-A190 HydrophobicContact CB-CB 4.34Å; N179-A190 PolarHBondContact N-O 3.13Å; N179-A190 PolarHBondContact O-N 2.92Å |
| 180 | C | 89.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.7 | -177.5 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | C169 N172 C174 | C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 HydrophobicContact CB-CB 3.73Å; C169-C180 WeakPolarHBondContact CB-SG 3.34Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.03Å; C169-C180 PolarHBondContact SG-SG 2.95Å; N172-C180 WeakPolarHBondContact OD1-CB 3.23Å; C174-C180 HydrophobicContact CB-CB 4.5Å; C174-C180 VanDerWaalsContact SG-CA 3.58Å; C174-C180 WeakPolarHBondContact SG-CB 3.36Å |
| 181 | T | 88.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123 | 169.1 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | H183 F187 T188 | T181-H183 PolarHBondContact O-CD2 3.49Å; T181-H183 PolarHBondContact OG1-NE2 3.14Å; T181-F187 WeakPolarHBondContact O-CA 3.35Å; T181-T188 PolarHBondContact N-O 3.22Å; T181-T188 PolarHBondContact O-N 3.29Å; T181-T188 WeakPolarHBondContact OG1-CB 3.23Å; T181-T188 PolarHBondContact OG1-O 3.35Å |
| 182 | D | 82.8 | Confident | 85.3 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.3 | -179.2 | -171.2 | 5.9 | 0 | 0 | 0 | 110.8 | G167 S168 C169 G184 | G167-D182 WeakPolarHBondContact CA-OD2 3.21Å; S168-D182 WeakPolarHBondContact CB-OD1 3.05Å; S168-D182 PolarHBondContact N-OD1 3.27Å; S168-D182 PolarHBondContact N-OD2 3.19Å; C169-D182 HydrophobicContact CB-CB 4.38Å; C169-D182 PolarHBondContact SG-N 3.17Å; D182-G184 PolarHBondContact OD1-N 3.33Å |
| 183 | H | 79.1 | Confident | 85.5 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | trans | -119.2 | 28.1 | 174.2 | -58.4 | -79.4 | 0 | 0 | 0 | 111.3 | T181 L185 A186 T188 | T181-H183 PolarHBondContact O-CD2 3.49Å; T181-H183 PolarHBondContact OG1-NE2 3.14Å; H183-L185 PolarHBondContact O-N 3.26Å; H183-A186 CarbonylContact C-O 3.32Å; H183-A186 VanDerWaalsContact CA-O 3.26Å; H183-A186 WeakPolarHBondContact CA-O 3.41Å; H183-A186 HydrophobicContact CB-CB 4.39Å; H183-A186 VanDerWaalsContact CB-O 3.28Å; H183-A186 WeakPolarHBondContact CB-O 3.35Å; H183-A186 PolarHBondContact N-O 3.33Å; H183-T188 PolarHBondContact CD2-OG1 3.03Å; H183-T188 PolarHBondContact NE2-OG1 3.07Å; H183-T188 VanDerWaalsContact NE2-OG1 3.13Å | ||
| 184 | G | 70.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 85 | -83.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S168 D182 | S168-G184 VanDerWaalsContact OG-C 3.32Å; S168-G184 PolarHBondContact OG-O 2.72Å; D182-G184 PolarHBondContact OD1-N 3.33Å |
| 185 | L | 66 | Low | 85.4 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -97.9 | -4.5 | 177 | -64.7 | 177.7 | 0 | 0 | 0 | 113.7 | S168 H183 | S168-L185 WeakPolarHBondContact OG-CA 3.44Å; H183-L185 PolarHBondContact O-N 3.26Å |
| 186 | A | 71.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | trans | -132 | 160.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | S168 H183 | S168-A186 VanDerWaalsContact CB-C 3.46Å; S168-A186 VanDerWaalsContact CB-O 3.22Å; S168-A186 WeakPolarHBondContact CB-O 3.35Å; S168-A186 PolarHBondContact OG-N 3.3Å; S168-A186 VanDerWaalsContact OG-N 3.13Å; S168-A186 PolarHBondContact OG-O 3.31Å; H183-A186 CarbonylContact C-O 3.32Å; H183-A186 VanDerWaalsContact CA-O 3.26Å; H183-A186 WeakPolarHBondContact CA-O 3.41Å; H183-A186 HydrophobicContact CB-CB 4.39Å; H183-A186 VanDerWaalsContact CB-O 3.28Å; H183-A186 WeakPolarHBondContact CB-O 3.35Å; H183-A186 PolarHBondContact N-O 3.33Å | ||
| 187 | F | 83.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 158.4 | 173.4 | 65 | -89 | 0 | 0 | 0 | 110.4 | P173 T181 F198 T199 | P173-F187 HydrophobicContact CB-CD1 4.38Å; P173-F187 HydrophobicContact CB-CD2 4.14Å; P173-F187 HydrophobicContact CB-CE1 3.89Å; P173-F187 HydrophobicContact CB-CE2 3.63Å; P173-F187 HydrophobicContact CB-CG 4.5Å; P173-F187 HydrophobicContact CB-CZ 3.47Å; P173-F187 VanDerWaalsContact CB-CZ 3.47Å; P173-F187 HydrophobicContact CG-CB 4.37Å; P173-F187 HydrophobicContact CG-CD1 3.8Å; P173-F187 HydrophobicContact CG-CD2 3.36Å; P173-F187 HydrophobicContact CG-CE1 3.81Å; P173-F187 HydrophobicContact CG-CE2 3.39Å; P173-F187 HydrophobicContact CG-CG 3.57Å; P173-F187 HydrophobicContact CG-CZ 3.6Å; T181-F187 WeakPolarHBondContact O-CA 3.35Å; F187-F198 HydrophobicContact CD2-CE1 4.36Å; F187-F198 HydrophobicContact CD2-CZ 4.36Å; F187-F198 AromaticContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CZ 4.3Å; F187-F198 HydrophobicContact CE2-CD1 4.06Å; F187-F198 AromaticContact CE2-CE1 3.55Å; F187-F198 HydrophobicContact CE2-CE1 3.55Å; F187-F198 AromaticContact CE2-CZ 3.97Å; F187-F198 HydrophobicContact CE2-CZ 3.97Å; F187-F198 AromaticContact CZ-CD1 3.92Å; F187-F198 HydrophobicContact CZ-CD1 3.92Å; F187-F198 AromaticContact CZ-CE1 3.24Å; F187-F198 HydrophobicContact CZ-CE1 3.24Å; F187-F198 AromaticContact CZ-CZ 3.95Å; F187-F198 HydrophobicContact CZ-CZ 3.95Å; F187-F198 WeakPolarHBondContact O-CZ 3.28Å; F187-T199 HydrophobicContact CE2-CG2 4.24Å; F187-T199 HydrophobicContact CZ-CG2 4.16Å |
| 188 | T | 88.1 | Confident | 85.2 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.4 | 169.1 | -52.7 | 0 | 0 | 0 | 0 | 109.2 | T181 H183 | T181-T188 PolarHBondContact N-O 3.22Å; T181-T188 PolarHBondContact O-N 3.29Å; T181-T188 WeakPolarHBondContact OG1-CB 3.23Å; T181-T188 PolarHBondContact OG1-O 3.35Å; H183-T188 PolarHBondContact CD2-OG1 3.03Å; H183-T188 PolarHBondContact NE2-OG1 3.07Å; H183-T188 VanDerWaalsContact NE2-OG1 3.13Å |
| 189 | C | 90.8 | Very high | 85.2 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.1 | 175 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | C174 C191 F198 C200 | C174-C189 WeakPolarHBondContact CA-SG 3.32Å; C174-C189 HydrophobicContact CB-CB 3.78Å; C174-C189 WeakPolarHBondContact CB-SG 3.31Å; C174-C189 WeakPolarHBondContact SG-CA 3.11Å; C174-C189 WeakPolarHBondContact SG-CB 3.01Å; C174-C189 CovalentContact SG-SG 2.02Å; C174-C189 PolarHBondContact SG-SG 3.44Å; C189-C191 PolarHBondContact O-N 3.22Å; C189-F198 WeakPolarHBondContact CB-O 3.02Å; C189-F198 PolarHBondContact SG-O 2.98Å; C189-F198 VanDerWaalsContact SG-O 3.38Å; C189-C200 VanDerWaalsContact CB-SG 3.58Å |
| 190 | A | 93 | Very high | 85.2 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 104.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G178 N179 | G178-A190 WeakPolarHBondContact CA-O 3.48Å; N179-A190 HydrophobicContact CB-CB 4.34Å; N179-A190 PolarHBondContact N-O 3.13Å; N179-A190 PolarHBondContact O-N 2.92Å |
| 191 | C | 92.1 | Very high | 85.3 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 139.4 | -175.2 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | C189 F195 C200 | C189-C191 PolarHBondContact O-N 3.22Å; C191-F195 HydrophobicContact CB-CB 4.29Å; C191-F195 WeakPolarHBondContact CB-O 3.16Å; C191-C200 WeakPolarHBondContact CA-SG 3.29Å; C191-C200 HydrophobicContact CB-CB 3.76Å; C191-C200 WeakPolarHBondContact CB-SG 3.31Å; C191-C200 WeakPolarHBondContact SG-CA 3.49Å; C191-C200 WeakPolarHBondContact SG-CB 3.4Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.37Å |
| 192 | P | 90.3 | Very high | 85.3 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 158.9 | 171.6 | 23.9 | -28 | 0 | 0 | 0 | 111.4 | N176 G194 F195 | N176-P192 WeakPolarHBondContact O-CG 3.36Å; P192-G194 PolarHBondContact O-N 3.31Å; P192-F195 HydrophobicContact CG-CD2 3.9Å; P192-F195 PolarHBondContact O-N 3.09Å; P192-F195 VanDerWaalsContact O-N 3.07Å |
| 193 | P | 88.2 | Confident | 85.3 | Confident | 129 Ų | 129 | 67.6 Ų | 67.6 | 84% | 0.838 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.8 | -180 | -23.3 | 32.3 | 0 | 0 | 0 | 112 | ||
| 194 | G | 84.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 25% | 0.247 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -0.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P192 T203 S204 | P192-G194 PolarHBondContact O-N 3.31Å; G194-T203 CarbonylContact O-C 3.42Å; G194-T203 WeakPolarHBondContact O-CA 3.21Å; G194-S204 PolarHBondContact O-N 3Å |
| 195 | F | 88.2 | Confident | 84 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.4 | 172 | -62.4 | -88.1 | 0 | 0 | 0 | 111.6 | N176 C191 P192 C200 D202 T203 | N176-F195 HydrophobicContact CB-CD1 3.76Å; N176-F195 HydrophobicContact CB-CD2 4.29Å; N176-F195 HydrophobicContact CB-CE1 3.66Å; N176-F195 HydrophobicContact CB-CE2 4.21Å; N176-F195 HydrophobicContact CB-CG 4.07Å; N176-F195 HydrophobicContact CB-CZ 3.89Å; N176-F195 VanDerWaalsContact ND2-CD1 3.34Å; N176-F195 WeakPolarHBondContact ND2-CD1 3.45Å; N176-F195 VanDerWaalsContact ND2-CE1 3.33Å; N176-F195 WeakPolarHBondContact ND2-CE1 3.5Å; C191-F195 HydrophobicContact CB-CB 4.29Å; C191-F195 WeakPolarHBondContact CB-O 3.16Å; P192-F195 HydrophobicContact CG-CD2 3.9Å; P192-F195 PolarHBondContact O-N 3.09Å; P192-F195 VanDerWaalsContact O-N 3.07Å; F195-C200 HydrophobicContact CB-CB 4.36Å; F195-D202 CarbonylContact C-O 3.35Å; F195-D202 VanDerWaalsContact CA-O 3.24Å; F195-D202 WeakPolarHBondContact CA-O 2.97Å; F195-T203 HydrophobicContact CD1-CG2 4.11Å; F195-T203 HydrophobicContact CE1-CG2 3.76Å |
| 196 | T | 86.4 | Confident | 83.3 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 174.6 | -176.9 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | C200 D202 | T196-C200 CarbonylContact O-C 3.59Å; T196-C200 WeakPolarHBondContact O-CA 3.06Å; T196-D202 PolarHBondContact N-O 3.3Å; T196-D202 WeakPolarHBondContact O-CB 2.89Å; T196-D202 PolarHBondContact O-N 3.14Å; T196-D202 VanDerWaalsContact O-N 3.08Å; T196-D202 PolarHBondContact OG1-O 3.48Å |
| 197 | G | 87.1 | Confident | 82.2 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 95 | 167.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T199 C200 | G197-T199 VanDerWaalsContact C-N 3.25Å; G197-T199 PolarHBondContact O-N 3.4Å; G197-C200 PolarHBondContact O-N 2.77Å |
| 198 | F | 88.3 | Confident | 80.7 | Confident | 141 Ų | 141 | 70.7 Ų | 70.7 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.7 | -173.5 | -174.9 | -109.2 | 0 | 0 | 0 | 113.5 | F187 C189 | F187-F198 HydrophobicContact CD2-CE1 4.36Å; F187-F198 HydrophobicContact CD2-CZ 4.36Å; F187-F198 AromaticContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CZ 4.3Å; F187-F198 HydrophobicContact CE2-CD1 4.06Å; F187-F198 AromaticContact CE2-CE1 3.55Å; F187-F198 HydrophobicContact CE2-CE1 3.55Å; F187-F198 AromaticContact CE2-CZ 3.97Å; F187-F198 HydrophobicContact CE2-CZ 3.97Å; F187-F198 AromaticContact CZ-CD1 3.92Å; F187-F198 HydrophobicContact CZ-CD1 3.92Å; F187-F198 AromaticContact CZ-CE1 3.24Å; F187-F198 HydrophobicContact CZ-CE1 3.24Å; F187-F198 AromaticContact CZ-CZ 3.95Å; F187-F198 HydrophobicContact CZ-CZ 3.95Å; F187-F198 WeakPolarHBondContact O-CZ 3.28Å; C189-F198 WeakPolarHBondContact CB-O 3.02Å; C189-F198 PolarHBondContact SG-O 2.98Å; C189-F198 VanDerWaalsContact SG-O 3.38Å |
| 199 | T | 90.3 | Very high | 79 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 28% | 0.282 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 14.2 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 113 | P173 L175 F187 G197 N201 | P173-T199 WeakPolarHBondContact O-CB 3.22Å; L175-T199 WeakPolarHBondContact CB-O 3.21Å; L175-T199 PolarHBondContact N-O 3.13Å; F187-T199 HydrophobicContact CE2-CG2 4.24Å; F187-T199 HydrophobicContact CZ-CG2 4.16Å; G197-T199 VanDerWaalsContact C-N 3.25Å; G197-T199 PolarHBondContact O-N 3.4Å; T199-N201 PolarHBondContact O-N 2.81Å |
| 200 | C | 91.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 50% | 0.5 | C | S | . | . | S | Bend | trans | 58.8 | 26.5 | -177.1 | -47.3 | 0 | 0 | 0 | 0 | 114.8 | L175 N176 C189 C191 F195 T196 G197 | L175-C200 WeakPolarHBondContact O-CB 3.32Å; N176-C200 PolarHBondContact ND2-O 3.47Å; C189-C200 VanDerWaalsContact CB-SG 3.58Å; C191-C200 WeakPolarHBondContact CA-SG 3.29Å; C191-C200 HydrophobicContact CB-CB 3.76Å; C191-C200 WeakPolarHBondContact CB-SG 3.31Å; C191-C200 WeakPolarHBondContact SG-CA 3.49Å; C191-C200 WeakPolarHBondContact SG-CB 3.4Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.37Å; F195-C200 HydrophobicContact CB-CB 4.36Å; T196-C200 CarbonylContact O-C 3.59Å; T196-C200 WeakPolarHBondContact O-CA 3.06Å; G197-C200 PolarHBondContact O-N 2.77Å |
| 201 | N | 92.7 | Very high | 75.1 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | trans | -76.9 | -30 | 179.5 | -169.2 | 41.6 | 0 | 0 | 0 | 112.8 | L175 T199 | L175-N201 HydrophobicContact CD1-CB 4.09Å; T199-N201 PolarHBondContact O-N 2.81Å | ||
| 202 | D | 88.1 | Confident | 72.8 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.1 | -171.1 | -54.2 | -40.9 | 0 | 0 | 0 | 109.6 | F195 T196 S204 | F195-D202 CarbonylContact C-O 3.35Å; F195-D202 VanDerWaalsContact CA-O 3.24Å; F195-D202 WeakPolarHBondContact CA-O 2.97Å; T196-D202 PolarHBondContact N-O 3.3Å; T196-D202 WeakPolarHBondContact O-CB 2.89Å; T196-D202 PolarHBondContact O-N 3.14Å; T196-D202 VanDerWaalsContact O-N 3.08Å; T196-D202 PolarHBondContact OG1-O 3.48Å; D202-S204 PolarHBondContact O-N 3.47Å |
| 203 | T | 81.6 | Confident | 71 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.8 | 169.9 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | G194 F195 S205 | G194-T203 CarbonylContact O-C 3.42Å; G194-T203 WeakPolarHBondContact O-CA 3.21Å; F195-T203 HydrophobicContact CD1-CG2 4.11Å; F195-T203 HydrophobicContact CE1-CG2 3.76Å; T203-S205 PolarHBondContact O-N 2.93Å |
| 204 | S | 68.6 | Low | 69.1 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 34% | 0.336 | 57% | 0.565 | S | S | . | * | trans | -65 | 100.8 | 165.6 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | G194 D202 L206 | G194-S204 PolarHBondContact O-N 3Å; D202-S204 PolarHBondContact O-N 3.47Å; S204-L206 PolarHBondContact O-N 3.44Å | ||
| 205 | S | 54.2 | Low | 67.3 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 71% | 0.713 | 58% | 0.584 | S | S | * | * | trans | -61 | 87.7 | 166 | 57.7 | 0 | 0 | 0 | 0 | 108.2 | T203 S207 | T203-S205 PolarHBondContact O-N 2.93Å; S205-S207 PolarHBondContact O-N 3.45Å | ||
| 206 | L | 51.7 | Low | 65.1 | Low | 136 Ų | 136 | 91.8 Ų | 91.8 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | trans | -68 | 77.5 | 163.2 | -92 | 130.2 | 0 | 0 | 0 | 107.9 | S204 | S204-L206 PolarHBondContact O-N 3.44Š| ||
| 207 | S | 47.9 | Very low | 63.6 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | trans | -109 | 58.2 | 148.9 | 69 | 0 | 0 | 0 | 0 | 108.3 | S205 | S205-S207 PolarHBondContact O-N 3.45Š| ||
| 208 | A | 51.3 | Low | 61.2 | Low | 84 Ų | 84 | 98.2 Ų | 98.2 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -93.9 | 0.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 209 | C | 53.1 | Low | 59.4 | Low | 132 Ų | 132 | 98.2 Ų | 98.2 | 89% | 0.892 | 66% | 0.661 | S | S | * | * | trans | -154.2 | 74.9 | 174.4 | -83.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 210 | A | 51 | Low | 57.1 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -122 | 79 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 211 | G | 50.8 | Low | 54.6 | Low | 77 Ų | 77 | 117.2 Ų | 117.2 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 94 | 74.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 212 | A | 43.9 | Very low | 51.9 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 178.5 | 127.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C214 | A212-C214 PolarHBondContact O-N 3.49Š| ||
| 213 | P | 52 | Low | 49.3 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 122.3 | 169.8 | 29.5 | -28.8 | 0 | 0 | 0 | 108.9 | A215 | P213-A215 PolarHBondContact O-N 3.37Š| ||
| 214 | C | 48.1 | Very low | 47.2 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 92% | 0.919 | 78% | 0.782 | S | S | * | * | trans | -76 | 90.5 | 171.6 | -41.1 | 0 | 0 | 0 | 0 | 108.6 | A212 | A212-C214 PolarHBondContact O-N 3.49Š| ||
| 215 | A | 46.1 | Very low | 45.4 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | trans | -80.4 | 132 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P213 | P213-A215 PolarHBondContact O-N 3.37Š| ||
| 216 | N | 43.3 | Very low | 45 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 83.2 | 98.3 | 165.6 | -51.5 | -28.5 | 0 | 0 | 0 | 118.1 | ||
| 217 | D | 54.9 | Low | 44.2 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | 48.8 | 70.5 | 133.8 | -146.1 | 21.3 | 0 | 0 | 0 | 119.2 | ||||
| 218 | G | 36.5 | Very low | 43.4 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -134.1 | 89.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q220 | G218-Q220 PolarHBondContact O-N 3.49Š| ||
| 219 | T | 50.6 | Low | 42.7 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | trans | -61.4 | 114.2 | 162 | 43 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 220 | Q | 42.6 | Very low | 41.6 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | -92.6 | 124.4 | 171.4 | -82.1 | -157.8 | -9.1 | 0 | 0 | 112 | G218 | G218-Q220 PolarHBondContact O-N 3.49Š| ||
| 221 | R | 37.9 | Very low | 41.1 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -116.3 | 140.5 | 179 | -161.1 | -178.1 | -171.4 | -151.9 | 3.5 | 108.6 | ||||
| 222 | S | 34.8 | Very low | 40.3 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | 76.6 | 137.5 | 157.9 | -142.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 223 | R | 34.7 | Very low | 39.8 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | cis | -158.4 | 124.5 | 43.9 | -78.6 | 172.7 | 154.5 | 123.4 | -6 | 111.6 | ||||
| 224 | T | 37 | Very low | 39.2 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | trans | -96.1 | 120.3 | 155.1 | 43 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 225 | R | 31.2 | Very low | 38.5 | Very low | 237 Ų | 237 | 159 Ų | 159 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -108 | 129.7 | 169.9 | -178.6 | 175.8 | 153.2 | -169.8 | -7.2 | 108.6 | ||||
| 226 | P | 45.1 | Very low | 37.9 | Very low | 121 Ų | 121 | 158.9 Ų | 158.9 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | trans | -86.5 | 149.3 | -179.8 | 34.6 | -31.4 | 0 | 0 | 0 | 110.9 | ||||
| 227 | A | 35 | Very low | 37.2 | Very low | 108 Ų | 108 | 160.7 Ų | 160.7 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -121.1 | 141.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 228 | S | 31.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -81.1 | 152.8 | -161.2 | 163 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 229 | T | 36.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 161.3 Ų | 161.3 | 73% | 0.73 | 84% | 0.842 | S | S | * | * | trans | -38.5 | 150 | 161.9 | 50 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 230 | R | 31.6 | Very low | 35.4 | Very low | 239 Ų | 239 | 160.9 Ų | 160.9 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | -174.3 | 150.4 | 112.8 | -98.3 | 179 | -168.4 | -171.5 | 3.5 | 113.7 | |||||
| 231 | P | 39.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -96.1 | 156.5 | 179 | 37 | -30.1 | 0 | 0 | 0 | 113 | ||||
| 232 | V | 34.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -110.9 | 117.3 | 179.6 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 233 | E | 32.5 | Very low | 34.1 | Very low | 193 Ų | 193 | 157.8 Ų | 157.8 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -99.2 | 135.5 | 164 | -88.9 | -178.5 | 151 | 0 | 0 | 109.3 | ||||
| 234 | H | 39.2 | Very low | 33.9 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -116.5 | 117.6 | 166.7 | -83.5 | -69.9 | 0 | 0 | 0 | 110.8 | ||||
| 235 | R | 34.4 | Very low | 33.6 | Very low | 235 Ų | 235 | 155 Ų | 155 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -66.3 | 141.7 | 171.6 | -86.9 | 174 | 164.2 | 166.5 | -5.5 | 111.9 | ||||
| 236 | G | 32.6 | Very low | 33.6 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -69.4 | 143.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 237 | F | 29.6 | Very low | 33.2 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -106.2 | 116.4 | 170.2 | -102 | -95.6 | 0 | 0 | 0 | 108.8 | ||||
| 238 | A | 30.1 | Very low | 33.1 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -86.9 | 128.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 239 | L | 32.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -119.4 | 107.6 | 171.8 | -75.5 | 168.2 | 0 | 0 | 0 | 109 | ||||
| 240 | T | 39.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -90.6 | 143.5 | 155.3 | 51 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 241 | P | 31.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -131.5 | 119.5 | 144.4 | 23.4 | -4.2 | 0 | 0 | 0 | 111 | ||||
| 242 | Q | 29.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | 83 | 102.3 | 86.2 | -75.8 | -171.4 | 28.9 | 0 | 0 | 113.6 | |||||
| 243 | H | 27.6 | Very low | 32.2 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -65.8 | 137.7 | 163.9 | -76.5 | -96.6 | 0 | 0 | 0 | 111 | ||||
| 244 | Y | 30.3 | Very low | 32.1 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -122.5 | 135.6 | 157.4 | 47.4 | -90.3 | 0 | 0 | 0 | 108.5 | ||||
| 245 | S | 30.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -131 | 149.9 | -178.1 | 57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 246 | L | 30.1 | Very low | 31.7 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 109.2 | 150.5 | 162.2 | -66.3 | 151.9 | 0 | 0 | 0 | 115.5 | ||||
| 247 | P | 37.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 153.1 Ų | 153.1 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -132.1 | 164.3 | -15.4 | 27.2 | -5.5 | 0 | 0 | 0 | 115 | ||||
| 248 | A | 32.3 | Very low | 32 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -68 | 128.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 249 | H | 32 | Very low | 32.1 | Very low | 182 Ų | 182 | 153.7 Ų | 153.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -131.7 | 117 | 154.7 | -92.5 | 22.9 | 0 | 0 | 0 | 110.2 | ||||
| 250 | A | 30.8 | Very low | 32.2 | Very low | 78 Ų | 78 | 157.4 Ų | 157.4 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | 61.2 | 108.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 251 | F | 32.2 | Very low | 31.7 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | -179.3 | 96.7 | 91.2 | -106.7 | -89.7 | 0 | 0 | 0 | 109.8 | K253 | F251-K253 HydrophobicContact CD1-CB 4.49Š| |||
| 252 | H | 31.4 | Very low | 31.6 | Very low | 183 Ų | 183 | 161 Ų | 161 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 97 | 152.6 | -150.1 | -97.5 | 0 | 0 | 0 | 106.2 | ||||
| 253 | K | 29.5 | Very low | 31.5 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 74% | 0.739 | 81% | 0.809 | S | S | * | * | trans | -155 | 135.1 | 160.5 | -133 | 175.7 | -174.8 | -179.2 | 0 | 109.5 | F251 | F251-K253 HydrophobicContact CD1-CB 4.49Š| ||
| 254 | L | 30.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 95.1 | 53.8 | 167.9 | -46.3 | 178.8 | 0 | 0 | 0 | 117 | ||||
| 255 | L | 32.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 155 Ų | 155 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -91.9 | 92.8 | 144.7 | -81.6 | 166.6 | 0 | 0 | 0 | 109.3 | ||||
| 256 | R | 32.2 | Very low | 31.6 | Very low | 236 Ų | 236 | 155.5 Ų | 155.5 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -179.4 | 152.9 | 134.3 | -104.3 | -167 | -129 | 174.3 | 4.8 | 111.4 | ||||
| 257 | P | 36.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 154.8 | -151.7 | 36.5 | -35.9 | 0 | 0 | 0 | 112.6 | ||||
| 258 | P | 32.3 | Very low | 31 | Very low | 118 Ų | 118 | 160 Ų | 160 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 119.7 | 154.5 | 18.2 | 0.5 | 0 | 0 | 0 | 110 | ||||
| 259 | E | 32.6 | Very low | 31.1 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 39.6 | 129.5 | 129.6 | -69.4 | 174.3 | 161.3 | 0 | 0 | 120.6 | |||||
| 260 | R | 33.7 | Very low | 30.9 | Very low | 233 Ų | 233 | 160.1 Ų | 160.1 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 106 | -178 | -45.5 | 174 | -168.6 | -146.8 | -0.1 | 106.6 | L262 | R260-L262 PolarHBondContact O-N 2.9Š| ||
| 261 | D | 29.6 | Very low | 31 | Very low | 162 Ų | 162 | 162.7 Ų | 162.7 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 107 | 167.9 | -81.8 | -26.5 | 0 | 0 | 0 | 109.6 | L263 | D261-L263 PolarHBondContact O-N 2.84Š| ||
| 262 | L | 30.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -60.1 | 114.8 | 165.8 | -98.6 | 88.7 | 0 | 0 | 0 | 109.5 | R260 K264 | R260-L262 PolarHBondContact O-N 2.9Å; L262-K264 PolarHBondContact O-N 3.02Å | ||
| 263 | L | 27.5 | Very low | 30.8 | Very low | 153 Ų | 153 | 158 Ų | 158 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 93.5 | 162.6 | -117.9 | 132.2 | 0 | 0 | 0 | 109.1 | D261 I265 | D261-L263 PolarHBondContact O-N 2.84Å; L263-I265 HydrophobicContact CD2-CD1 4.23Å; L263-I265 HydrophobicContact CD2-CG1 3.91Å; L263-I265 PolarHBondContact O-N 3.48Å | ||
| 264 | K | 29.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -80.6 | 91 | 171.5 | -162.9 | 175.6 | -172.6 | 177.1 | 0 | 108.4 | L262 T266 | L262-K264 PolarHBondContact O-N 3.02Å; K264-T266 PolarHBondContact O-N 2.94Å | ||
| 265 | I | 30.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -84.7 | 100.2 | 170.7 | -50.7 | 174.8 | 0 | 0 | 0 | 107.3 | L263 L267 | L263-I265 HydrophobicContact CD2-CD1 4.23Å; L263-I265 HydrophobicContact CD2-CG1 3.91Å; L263-I265 PolarHBondContact O-N 3.48Å; I265-L267 PolarHBondContact O-N 3.45Å | ||
| 266 | T | 30.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 150 Ų | 150 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -74.1 | 110.7 | 167.8 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | K264 K268 | K264-T266 PolarHBondContact O-N 2.94Å; T266-K268 PolarHBondContact O-N 2.84Å | ||
| 267 | L | 27.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 112.4 | 167.4 | -82 | 153.4 | 0 | 0 | 0 | 108.6 | I265 E269 | I265-L267 PolarHBondContact O-N 3.45Å; L267-E269 PolarHBondContact O-N 3.32Å | ||
| 268 | K | 27.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -81 | 104.4 | 169.6 | -169 | 174.8 | -175.6 | 177.3 | 0 | 107.2 | T266 S270 | T266-K268 PolarHBondContact O-N 2.84Å; K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.15Å | ||
| 269 | E | 32.8 | Very low | 35 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -57.9 | 117.3 | 166.9 | -85.8 | -178.2 | 150.4 | 0 | 0 | 108.7 | L267 | L267-E269 PolarHBondContact O-N 3.32Š| ||
| 270 | S | 28.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -109.9 | 99.1 | 163.2 | 52.3 | 0 | 0 | 0 | 0 | 107.2 | K268 H272 | K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.15Å; S270-H272 PolarHBondContact O-N 3.42Å | ||
| 271 | V | 33 | Very low | 37.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -64.1 | 118 | 168.4 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 272 | H | 29.4 | Very low | 38.4 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | trans | -116.4 | 131.9 | 159.9 | -80.5 | 82.2 | 0 | 0 | 0 | 109.5 | S270 | S270-H272 PolarHBondContact O-N 3.42Š| ||
| 273 | S | 29.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -70.6 | 135.4 | -174.6 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 274 | S | 36.3 | Very low | 41.6 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | 31.4 | 121.3 | 139.3 | -36.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 275 | G | 45.6 | Very low | 43.3 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 69% | 0.692 | S | S | * | * | 125 | 83.3 | 129.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 276 | V | 40.5 | Very low | 45.1 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | trans | -140.2 | 119.4 | 146.7 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V278 | V276-V278 PolarHBondContact O-N 2.03Š| ||
| 277 | L | 46.8 | Very low | 47.2 | Very low | 170 Ų | 170 | 117.9 Ų | 117.9 | 89% | 0.89 | 67% | 0.674 | S | S | * | * | trans | -68.4 | 96.3 | 177.6 | -152.1 | 83.2 | 0 | 0 | 0 | 108.5 | T279 | L277-T279 PolarHBondContact O-N 3.41Š| ||
| 278 | V | 49.4 | Very low | 49.5 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | trans | -72.5 | 114.4 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | V276 Q282 L283 | V276-V278 PolarHBondContact O-N 2.03Å; V278-Q282 HydrophobicContact CG1-CB 3.57Å; V278-L283 HydrophobicContact CB-CD1 4.08Å; V278-L283 HydrophobicContact CG1-CD1 3.72Å | ||
| 279 | T | 62.8 | Low | 51.7 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 55% | 0.546 | 65% | 0.645 | S | S | . | * | trans | -65.4 | 146.8 | 177 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | L277 G281 Q282 | L277-T279 PolarHBondContact O-N 3.41Å; T279-G281 PolarHBondContact O-N 3.38Å; T279-Q282 PolarHBondContact O-N 2.88Å | ||
| 280 | H | 56.6 | Low | 53.7 | Low | 160 Ų | 160 | 105 Ų | 105 | 74% | 0.741 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -51.8 | -27.9 | -175.3 | -130.6 | -78 | 0 | 0 | 0 | 113.8 | I284 | H280-I284 WeakPolarHBondContact O-CG1 3.34Å; H280-I284 PolarHBondContact O-N 2.04Å |
| 281 | G | 58.7 | Low | 56 | Low | 50 Ų | 50 | 105.6 Ų | 105.6 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.7 | -31.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T279 C285 | T279-G281 PolarHBondContact O-N 3.38Å; G281-C285 PolarHBondContact O-N 3.46Å |
| 282 | Q | 51.9 | Low | 57.9 | Low | 96 Ų | 96 | 104.3 Ų | 104.3 | 45% | 0.449 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.8 | -36.7 | 176.4 | -71.5 | -171.3 | -51.8 | 0 | 0 | 111.6 | V278 T279 I284 C285 F286 | V278-Q282 HydrophobicContact CG1-CB 3.57Å; T279-Q282 PolarHBondContact O-N 2.88Å; Q282-I284 VanDerWaalsContact C-N 3.33Å; Q282-I284 PolarHBondContact O-N 2.81Å; Q282-C285 PolarHBondContact O-N 2.9Å; Q282-F286 HydrophobicContact CB-CD2 4.36Å; Q282-F286 HydrophobicContact CB-CE2 4.24Å; Q282-F286 WeakPolarHBondContact O-CD2 3.35Å; Q282-F286 PolarHBondContact O-N 3.15Å |
| 283 | L | 57.2 | Low | 60 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.6 | -40.9 | 173.5 | -101 | 107.9 | 0 | 0 | 0 | 112.5 | V278 G287 | V278-L283 HydrophobicContact CB-CD1 4.08Å; V278-L283 HydrophobicContact CG1-CD1 3.72Å; L283-G287 PolarHBondContact O-N 3.24Å |
| 284 | I | 68.8 | Low | 62.1 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 55% | 0.549 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.6 | -42 | 177.8 | -64 | 168.2 | 0 | 0 | 0 | 110.2 | H280 Q282 G287 M288 | H280-I284 WeakPolarHBondContact O-CG1 3.34Å; H280-I284 PolarHBondContact O-N 2.04Å; Q282-I284 VanDerWaalsContact C-N 3.33Å; Q282-I284 PolarHBondContact O-N 2.81Å; I284-G287 PolarHBondContact O-N 2.7Å; I284-M288 HydrophobicContact CG2-CG 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.31Å; I284-M288 WeakPolarHBondContact O-CG 3.37Å; I284-M288 PolarHBondContact O-N 3.29Å |
| 285 | C | 65.2 | Low | 63.8 | Low | 79 Ų | 79 | 97.5 Ų | 97.5 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 179.6 | -150.7 | 0 | 0 | 0 | 0 | 111.9 | G281 Q282 M288 L289 | G281-C285 PolarHBondContact O-N 3.46Å; Q282-C285 PolarHBondContact O-N 2.9Å; C285-M288 PolarHBondContact O-N 3.49Å; C285-L289 WeakPolarHBondContact O-CB 3.41Å; C285-L289 PolarHBondContact O-N 2.9Å |
| 286 | F | 68.6 | Low | 65.3 | Low | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.614 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.4 | -35.9 | 174 | -74 | -62.2 | 0 | 0 | 0 | 112.6 | Q282 L289 A290 | Q282-F286 HydrophobicContact CB-CD2 4.36Å; Q282-F286 HydrophobicContact CB-CE2 4.24Å; Q282-F286 WeakPolarHBondContact O-CD2 3.35Å; Q282-F286 PolarHBondContact O-N 3.15Å; F286-L289 PolarHBondContact O-N 3.5Å; F286-A290 VanDerWaalsContact O-CB 3.29Å; F286-A290 WeakPolarHBondContact O-CB 3.43Å; F286-A290 PolarHBondContact O-N 2.84Å |
| 287 | G | 74.5 | Confident | 66.8 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 38% | 0.381 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L283 I284 A290 L291 | L283-G287 PolarHBondContact O-N 3.24Å; I284-G287 PolarHBondContact O-N 2.7Å; G287-A290 PolarHBondContact O-N 3.32Å; G287-L291 PolarHBondContact O-N 3.31Å |
| 288 | M | 75.8 | Confident | 68 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.2 | -39.5 | 176.7 | -68.3 | -64.1 | -73.9 | 0 | 0 | 111.9 | I284 C285 L291 L292 | I284-M288 HydrophobicContact CG2-CG 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.31Å; I284-M288 WeakPolarHBondContact O-CG 3.37Å; I284-M288 PolarHBondContact O-N 3.29Å; C285-M288 PolarHBondContact O-N 3.49Å; M288-L291 PolarHBondContact O-N 3.01Å; M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.91Å |
| 289 | L | 74 | Confident | 69 | Low | 105 Ų | 105 | 92.5 Ų | 92.5 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 174.3 | -122.5 | 90 | 0 | 0 | 0 | 111.5 | C285 F286 L292 T293 | C285-L289 WeakPolarHBondContact O-CB 3.41Å; C285-L289 PolarHBondContact O-N 2.9Å; F286-L289 PolarHBondContact O-N 3.5Å; L289-L292 PolarHBondContact O-N 3.34Å; L289-T293 WeakPolarHBondContact O-CG2 3.38Å; L289-T293 PolarHBondContact O-N 3.38Å; L289-T293 PolarHBondContact O-OG1 3.24Å |
| 290 | A | 74.4 | Confident | 69.3 | Low | 55 Ų | 55 | 91.8 Ų | 91.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F286 G287 T293 C294 | F286-A290 VanDerWaalsContact O-CB 3.29Å; F286-A290 WeakPolarHBondContact O-CB 3.43Å; F286-A290 PolarHBondContact O-N 2.84Å; G287-A290 PolarHBondContact O-N 3.32Å; A290-T293 WeakPolarHBondContact CA-OG1 3.33Å; A290-T293 PolarHBondContact O-OG1 2.01Å; A290-C294 VanDerWaalsContact O-CB 3.24Å; A290-C294 WeakPolarHBondContact O-CB 2.7Å; A290-C294 PolarHBondContact O-N 2.84Å |
| 291 | L | 76.3 | Confident | 69.6 | Low | 107 Ų | 107 | 87.7 Ų | 87.7 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 174.9 | -118.5 | 155.8 | 0 | 0 | 0 | 111.5 | G287 M288 C294 L295 | G287-L291 PolarHBondContact O-N 3.31Å; M288-L291 PolarHBondContact O-N 3.01Å; L291-C294 PolarHBondContact O-N 2.85Å; L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.94Å |
| 292 | L | 74.3 | Confident | 69.7 | Low | 106 Ų | 106 | 86.6 Ų | 86.6 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 176.4 | -73.1 | 169.4 | 0 | 0 | 0 | 111.8 | M288 L289 C294 L295 V296 | M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.91Å; L289-L292 PolarHBondContact O-N 3.34Å; L292-C294 VanDerWaalsContact C-N 3.34Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.99Å |
| 293 | T | 72.7 | Confident | 70.1 | Confident | 75 Ų | 75 | 88 Ų | 88 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | L289 A290 V296 I297 | L289-T293 WeakPolarHBondContact O-CG2 3.38Å; L289-T293 PolarHBondContact O-N 3.38Å; L289-T293 PolarHBondContact O-OG1 3.24Å; A290-T293 WeakPolarHBondContact CA-OG1 3.33Å; A290-T293 PolarHBondContact O-OG1 2.01Å; T293-V296 PolarHBondContact O-N 2.83Å; T293-I297 WeakPolarHBondContact O-CB 3.41Å; T293-I297 WeakPolarHBondContact O-CD1 3.19Å; T293-I297 WeakPolarHBondContact O-CG1 3.27Å; T293-I297 PolarHBondContact O-N 2.87Å |
| 294 | C | 73.3 | Confident | 70.1 | Confident | 65 Ų | 65 | 87 Ų | 87 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.7 | -161.3 | 0 | 0 | 0 | 0 | 112.1 | A290 L291 L292 I297 L298 | A290-C294 VanDerWaalsContact O-CB 3.24Å; A290-C294 WeakPolarHBondContact O-CB 2.7Å; A290-C294 PolarHBondContact O-N 2.84Å; L291-C294 PolarHBondContact O-N 2.85Å; L292-C294 VanDerWaalsContact C-N 3.34Å; C294-I297 PolarHBondContact O-N 3.09Å; C294-L298 WeakPolarHBondContact O-CB 3.25Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.11Å |
| 295 | L | 72.6 | Confident | 69.4 | Low | 107 Ų | 107 | 89.8 Ų | 89.8 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -39.6 | 175.1 | -73.3 | 170.6 | 0 | 0 | 0 | 112.4 | L291 L292 G299 | L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.94Å; L292-L295 PolarHBondContact O-N 3.13Å; L295-G299 PolarHBondContact O-N 3.4Å |
| 296 | V | 76.9 | Confident | 68.8 | Low | 92 Ų | 92 | 93.6 Ų | 93.6 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -39.8 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L292 T293 G299 T300 | L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.99Å; T293-V296 PolarHBondContact O-N 2.83Å; V296-G299 PolarHBondContact O-N 2.98Å; V296-T300 HydrophobicContact CG1-CG2 4.29Å; V296-T300 WeakPolarHBondContact O-CB 3.23Å; V296-T300 VanDerWaalsContact O-CG2 3.29Å; V296-T300 WeakPolarHBondContact O-CG2 3.09Å; V296-T300 PolarHBondContact O-N 3.32Å; V296-T300 PolarHBondContact O-OG1 3.33Å |
| 297 | I | 72.9 | Confident | 67.9 | Low | 98 Ų | 98 | 88.6 Ų | 88.6 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 176.4 | -68.7 | 164 | 0 | 0 | 0 | 110.4 | T293 C294 T300 T301 | T293-I297 WeakPolarHBondContact O-CB 3.41Å; T293-I297 WeakPolarHBondContact O-CD1 3.19Å; T293-I297 WeakPolarHBondContact O-CG1 3.27Å; T293-I297 PolarHBondContact O-N 2.87Å; C294-I297 PolarHBondContact O-N 3.09Å; I297-T300 PolarHBondContact O-N 3.27Å; I297-T300 PolarHBondContact O-OG1 2.86Å; I297-T301 HydrophobicContact CG2-CG2 4.17Å; I297-T301 VanDerWaalsContact O-CB 3.27Å; I297-T301 WeakPolarHBondContact O-CB 3.45Å; I297-T301 VanDerWaalsContact O-CG2 3.22Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 3.33Å; I297-T301 PolarHBondContact O-OG1 3.33Å |
| 298 | L | 70.9 | Confident | 66.9 | Low | 113 Ų | 113 | 95.9 Ų | 95.9 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -38 | 176.4 | -71.5 | 170.8 | 0 | 0 | 0 | 112.2 | C294 T301 G302 | C294-L298 WeakPolarHBondContact O-CB 3.25Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.11Å; L298-T301 WeakPolarHBondContact CA-OG1 3.45Å; L298-T301 PolarHBondContact O-OG1 3.46Å; L298-G302 PolarHBondContact O-N 2.65Å |
| 299 | G | 71.3 | Confident | 65.6 | Low | 36 Ų | 36 | 93.6 Ų | 93.6 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L295 V296 G302 I303 | L295-G299 PolarHBondContact O-N 3.4Å; V296-G299 PolarHBondContact O-N 2.98Å; G299-G302 PolarHBondContact O-N 3.26Å; G299-I303 WeakPolarHBondContact O-CD1 3.45Å; G299-I303 WeakPolarHBondContact O-CG1 3.22Å; G299-I303 PolarHBondContact O-N 3.28Å |
| 300 | T | 69.1 | Low | 64.6 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | -179.3 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | V296 I297 I303 V304 | V296-T300 HydrophobicContact CG1-CG2 4.29Å; V296-T300 WeakPolarHBondContact O-CB 3.23Å; V296-T300 VanDerWaalsContact O-CG2 3.29Å; V296-T300 WeakPolarHBondContact O-CG2 3.09Å; V296-T300 PolarHBondContact O-N 3.32Å; V296-T300 PolarHBondContact O-OG1 3.33Å; I297-T300 PolarHBondContact O-N 3.27Å; I297-T300 PolarHBondContact O-OG1 2.86Å; T300-I303 PolarHBondContact O-N 3.29Å; T300-V304 VanDerWaalsContact O-CG2 3.25Å; T300-V304 WeakPolarHBondContact O-CG2 3.27Å; T300-V304 PolarHBondContact O-N 3.4Å |
| 301 | T | 62.3 | Low | 63.7 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 172.3 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | I297 L298 V304 F305 | I297-T301 HydrophobicContact CG2-CG2 4.17Å; I297-T301 VanDerWaalsContact O-CB 3.27Å; I297-T301 WeakPolarHBondContact O-CB 3.45Å; I297-T301 VanDerWaalsContact O-CG2 3.22Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 3.33Å; I297-T301 PolarHBondContact O-OG1 3.33Å; L298-T301 WeakPolarHBondContact CA-OG1 3.45Å; L298-T301 PolarHBondContact O-OG1 3.46Å; T301-V304 PolarHBondContact O-N 3.25Å; T301-F305 WeakPolarHBondContact O-CB 3.09Å; T301-F305 PolarHBondContact O-N 2.96Å |
| 302 | G | 60.3 | Low | 62.7 | Low | 27 Ų | 27 | 100.7 Ų | 100.7 | 28% | 0.278 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60 | -48 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L298 G299 V304 F305 F306 | L298-G302 PolarHBondContact O-N 2.65Å; G299-G302 PolarHBondContact O-N 3.26Å; G302-V304 PolarHBondContact O-N 3.42Å; G302-F305 PolarHBondContact O-N 2.93Å; G302-F306 WeakPolarHBondContact O-CD2 3.28Å; G302-F306 PolarHBondContact O-N 3.47Å |
| 303 | I | 60.9 | Low | 61.7 | Low | 126 Ų | 126 | 100.2 Ų | 100.2 | 65% | 0.646 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 178.6 | -67.4 | 161.9 | 0 | 0 | 0 | 111.5 | G299 T300 G307 | G299-I303 WeakPolarHBondContact O-CD1 3.45Å; G299-I303 WeakPolarHBondContact O-CG1 3.22Å; G299-I303 PolarHBondContact O-N 3.28Å; T300-I303 PolarHBondContact O-N 3.29Å; I303-G307 PolarHBondContact O-N 2.88Å |
| 304 | V | 57.7 | Low | 60.8 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | T300 T301 G302 R308 | T300-V304 VanDerWaalsContact O-CG2 3.25Å; T300-V304 WeakPolarHBondContact O-CG2 3.27Å; T300-V304 PolarHBondContact O-N 3.4Å; T301-V304 PolarHBondContact O-N 3.25Å; G302-V304 PolarHBondContact O-N 3.42Å; V304-R308 WeakPolarHBondContact O-CB 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.24Å; V304-R308 PolarHBondContact O-N 3.49Å |
| 305 | F | 52.8 | Low | 59.8 | Low | 164 Ų | 164 | 101.8 Ų | 101.8 | 72% | 0.719 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.1 | -41.9 | 177.3 | -140.6 | -89.6 | 0 | 0 | 0 | 111.9 | T301 G302 R308 C309 | T301-F305 WeakPolarHBondContact O-CB 3.09Å; T301-F305 PolarHBondContact O-N 2.96Å; G302-F305 PolarHBondContact O-N 2.93Å; F305-R308 PolarHBondContact O-N 3.24Å; F305-C309 WeakPolarHBondContact O-CB 3.16Å; F305-C309 PolarHBondContact O-N 2.9Å |
| 306 | F | 52.6 | Low | 59 | Low | 160 Ų | 160 | 98.3 Ų | 98.3 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 173.7 | -93.5 | -83 | 0 | 0 | 0 | 111.6 | G302 R308 C309 E310 | G302-F306 WeakPolarHBondContact O-CD2 3.28Å; G302-F306 PolarHBondContact O-N 3.47Å; F306-R308 VanDerWaalsContact C-N 3.33Å; F306-R308 PolarHBondContact O-N 3.45Å; F306-C309 PolarHBondContact O-N 3Å; F306-C309 VanDerWaalsContact O-N 3.13Å; F306-E310 PolarHBondContact O-N 3.29Å |
| 307 | G | 50.5 | Low | 58.1 | Low | 35 Ų | 35 | 101.3 Ų | 101.3 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I303 T311 | I303-G307 PolarHBondContact O-N 2.88Å; G307-T311 WeakPolarHBondContact O-CG2 3.34Å; G307-T311 PolarHBondContact O-N 2.85Å; G307-T311 VanDerWaalsContact O-N 3.15Å; G307-T311 PolarHBondContact O-OG1 2.87Å |
| 308 | R | 52.5 | Low | 57.4 | Low | 189 Ų | 189 | 104.1 Ų | 104.1 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.2 | -29.9 | 172.7 | -75.3 | -161.4 | 175.6 | -168.2 | 0.6 | 113.2 | V304 F305 F306 T311 W312 | V304-R308 WeakPolarHBondContact O-CB 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.24Å; V304-R308 PolarHBondContact O-N 3.49Å; F305-R308 PolarHBondContact O-N 3.24Å; F306-R308 VanDerWaalsContact C-N 3.33Å; F306-R308 PolarHBondContact O-N 3.45Å; R308-T311 VanDerWaalsContact CA-OG1 3.31Å; R308-T311 WeakPolarHBondContact CA-OG1 3.27Å; R308-T311 PolarHBondContact O-OG1 3.45Å; R308-T311 VanDerWaalsContact O-OG1 3.11Å; R308-W312 WeakPolarHBondContact O-CB 3.41Å; R308-W312 PolarHBondContact O-N 3.23Å |
| 309 | C | 48.6 | Very low | 56.8 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.3 | -42.3 | 175.2 | -156.4 | 0 | 0 | 0 | 0 | 111.3 | F305 F306 W312 L313 | F305-C309 WeakPolarHBondContact O-CB 3.16Å; F305-C309 PolarHBondContact O-N 2.9Å; F306-C309 PolarHBondContact O-N 3Å; F306-C309 VanDerWaalsContact O-N 3.13Å; C309-W312 PolarHBondContact O-N 2.72Å; C309-L313 WeakPolarHBondContact O-CB 3.37Å; C309-L313 PolarHBondContact O-N 3.3Å |
| 310 | E | 52.8 | Low | 56.3 | Low | 148 Ų | 148 | 105.6 Ų | 105.6 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 175.6 | -71.8 | -155.6 | 152 | 0 | 0 | 112.5 | F306 W312 L313 A314 | F306-E310 PolarHBondContact O-N 3.29Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.64Å; E310-L313 PolarHBondContact O-N 3.46Å; E310-A314 WeakPolarHBondContact O-CB 3.39Å; E310-A314 PolarHBondContact O-N 2.86Å |
| 311 | T | 55.8 | Low | 55.9 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 175.4 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | G307 R308 N315 | G307-T311 WeakPolarHBondContact O-CG2 3.34Å; G307-T311 PolarHBondContact O-N 2.85Å; G307-T311 VanDerWaalsContact O-N 3.15Å; G307-T311 PolarHBondContact O-OG1 2.87Å; R308-T311 VanDerWaalsContact CA-OG1 3.31Å; R308-T311 WeakPolarHBondContact CA-OG1 3.27Å; R308-T311 PolarHBondContact O-OG1 3.45Å; R308-T311 VanDerWaalsContact O-OG1 3.11Å; T311-N315 WeakPolarHBondContact O-CB 3.34Å; T311-N315 PolarHBondContact O-N 2.84Å |
| 312 | W | 55.2 | Low | 56 | Low | 183 Ų | 183 | 106.8 Ų | 106.8 | 69% | 0.693 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | 173 | -164.2 | 88.5 | 0 | 0 | 0 | 112.2 | R308 C309 E310 A314 N315 A316 | R308-W312 WeakPolarHBondContact O-CB 3.41Å; R308-W312 PolarHBondContact O-N 3.23Å; C309-W312 PolarHBondContact O-N 2.72Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.64Å; W312-A314 VanDerWaalsContact C-N 3.34Å; W312-A314 PolarHBondContact O-N 2.64Å; W312-N315 PolarHBondContact O-N 2.96Å; W312-A316 WeakPolarHBondContact O-CB 3.21Å; W312-A316 PolarHBondContact O-N 3.49Å |
| 313 | L | 53.5 | Low | 56.2 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.3 | -39 | 175.1 | -132 | 91.1 | 0 | 0 | 0 | 111.8 | C309 E310 A316 K317 | C309-L313 WeakPolarHBondContact O-CB 3.37Å; C309-L313 PolarHBondContact O-N 3.3Å; E310-L313 PolarHBondContact O-N 3.46Å; L313-A316 PolarHBondContact O-N 3.22Å; L313-K317 PolarHBondContact O-N 3.43Å |
| 314 | A | 54.2 | Low | 56.6 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E310 W312 A316 K317 Y318 | E310-A314 WeakPolarHBondContact O-CB 3.39Å; E310-A314 PolarHBondContact O-N 2.86Å; W312-A314 VanDerWaalsContact C-N 3.34Å; W312-A314 PolarHBondContact O-N 2.64Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 2.82Å; A314-K317 PolarHBondContact O-N 3.43Å; A314-Y318 WeakPolarHBondContact O-CB 3.14Å; A314-Y318 PolarHBondContact O-N 2.95Å |
| 315 | N | 51.7 | Low | 56.9 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -36.8 | 174.5 | -95.2 | -7.9 | 0 | 0 | 0 | 112.7 | T311 W312 Y318 S319 | T311-N315 WeakPolarHBondContact O-CB 3.34Å; T311-N315 PolarHBondContact O-N 2.84Å; W312-N315 PolarHBondContact O-N 2.96Å; N315-Y318 PolarHBondContact O-N 2.98Å; N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.17Å |
| 316 | A | 57.3 | Low | 57.5 | Low | 34 Ų | 34 | 115.8 Ų | 115.8 | 28% | 0.281 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.2 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W312 L313 A314 Y318 S319 Q320 | W312-A316 WeakPolarHBondContact O-CB 3.21Å; W312-A316 PolarHBondContact O-N 3.49Å; L313-A316 PolarHBondContact O-N 3.22Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 2.82Å; A316-Y318 PolarHBondContact O-N 2.86Å; A316-S319 PolarHBondContact O-N 3.4Å; A316-S319 PolarHBondContact O-OG 3.37Å; A316-Q320 PolarHBondContact O-N 3.25Å; A316-Q320 VanDerWaalsContact O-N 3.07Å |
| 317 | K | 56.1 | Low | 58.2 | Low | 154 Ų | 154 | 113.7 Ų | 113.7 | 67% | 0.67 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.4 | -42.7 | 174.6 | -81 | -174.7 | 175.7 | -177.9 | 0 | 112.4 | L313 A314 S319 Q320 L321 | L313-K317 PolarHBondContact O-N 3.43Å; A314-K317 PolarHBondContact O-N 3.43Å; K317-S319 PolarHBondContact O-N 2.92Å; K317-Q320 PolarHBondContact O-N 3.34Å; K317-L321 PolarHBondContact O-N 3.33Å |
| 318 | Y | 59 | Low | 58.9 | Low | 158 Ų | 158 | 117.2 Ų | 117.2 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.1 | -44.4 | 175.7 | -174.6 | -99.3 | 0 | 0 | 0 | 111.8 | A314 N315 A316 Q320 L321 V322 | A314-Y318 WeakPolarHBondContact O-CB 3.14Å; A314-Y318 PolarHBondContact O-N 2.95Å; N315-Y318 PolarHBondContact O-N 2.98Å; A316-Y318 PolarHBondContact O-N 2.86Å; Y318-Q320 VanDerWaalsContact C-N 3.28Å; Y318-Q320 PolarHBondContact O-N 3.05Å; Y318-L321 PolarHBondContact O-N 3.44Å; Y318-V322 HydrophobicContact CD1-CG2 4.1Å; Y318-V322 HydrophobicContact CE1-CG2 3.75Å; Y318-V322 WeakPolarHBondContact O-CG2 3.46Å; Y318-V322 PolarHBondContact O-N 3.35Å |
| 319 | S | 57.6 | Low | 59.1 | Low | 50 Ų | 50 | 113.4 Ų | 113.4 | 35% | 0.35 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -33.5 | 177.5 | 78.8 | 0 | 0 | 0 | 0 | 113.1 | N315 A316 K317 R323 | N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.17Å; A316-S319 PolarHBondContact O-N 3.4Å; A316-S319 PolarHBondContact O-OG 3.37Å; K317-S319 PolarHBondContact O-N 2.92Å; S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 2.99Å; S319-R323 VanDerWaalsContact O-N 3.13Å |
| 320 | Q | 60.7 | Low | 59.5 | Low | 130 Ų | 130 | 115.2 Ų | 115.2 | 61% | 0.607 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72.2 | -40.8 | 175 | -71.1 | -145.7 | -36.1 | 0 | 0 | 112.1 | A316 K317 Y318 V322 R323 Q324 | A316-Q320 PolarHBondContact O-N 3.25Å; A316-Q320 VanDerWaalsContact O-N 3.07Å; K317-Q320 PolarHBondContact O-N 3.34Å; Y318-Q320 VanDerWaalsContact C-N 3.28Å; Y318-Q320 PolarHBondContact O-N 3.05Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.94Å; Q320-R323 PolarHBondContact O-N 3.45Å; Q320-Q324 PolarHBondContact O-N 2.99Å |
| 321 | L | 62.7 | Low | 60 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -44.9 | 175.9 | -150.7 | 87.4 | 0 | 0 | 0 | 111.1 | K317 Y318 R323 Q324 Q325 | K317-L321 PolarHBondContact O-N 3.33Å; Y318-L321 PolarHBondContact O-N 3.44Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 3.42Å; L321-Q324 PolarHBondContact O-N 2.93Å; L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 PolarHBondContact O-N 3.49Å |
| 322 | V | 62.6 | Low | 60 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -37.3 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | Y318 Q320 R326 | Y318-V322 HydrophobicContact CD1-CG2 4.1Å; Y318-V322 HydrophobicContact CE1-CG2 3.75Å; Y318-V322 WeakPolarHBondContact O-CG2 3.46Å; Y318-V322 PolarHBondContact O-N 3.35Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.94Å; V322-R326 WeakPolarHBondContact O-CB 3.29Å; V322-R326 PolarHBondContact O-N 3Å |
| 323 | R | 65.8 | Low | 60 | Low | 164 Ų | 164 | 113.2 Ų | 113.2 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68 | -44.5 | 175.6 | -76.3 | 178.8 | -171.2 | 179.9 | 3.7 | 112.2 | S319 Q320 L321 Q325 R326 E327 | S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 2.99Å; S319-R323 VanDerWaalsContact O-N 3.13Å; Q320-R323 PolarHBondContact O-N 3.45Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 3.42Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 3Å; R323-R326 PolarHBondContact O-N 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.42Å; R323-E327 PolarHBondContact O-N 2.9Å |
| 324 | Q | 68.3 | Low | 59.9 | Low | 134 Ų | 134 | 112 Ų | 112 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -40.5 | 176.7 | -76.2 | -172.5 | -39.2 | 0 | 0 | 111.9 | Q320 L321 E327 H328 | Q320-Q324 PolarHBondContact O-N 2.99Å; L321-Q324 PolarHBondContact O-N 2.93Å; Q324-E327 PolarHBondContact O-N 3Å; Q324-H328 PolarHBondContact O-N 3.37Å |
| 325 | Q | 64.6 | Low | 59.7 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.6 | -36.4 | 179.3 | -153.4 | 146.8 | -14.8 | 0 | 0 | 111.9 | L321 R323 H328 L329 | L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 PolarHBondContact O-N 3.49Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 3Å; Q325-H328 PolarHBondContact O-N 3.38Å; Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.33Å |
| 326 | R | 65.3 | Low | 59.3 | Low | 175 Ų | 175 | 111.9 Ų | 111.9 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -41.9 | 171.4 | -170.6 | -179.3 | -167.8 | -135.3 | 3.3 | 112.1 | V322 R323 L329 L330 | V322-R326 WeakPolarHBondContact O-CB 3.29Å; V322-R326 PolarHBondContact O-N 3Å; R323-R326 PolarHBondContact O-N 3.4Å; R326-L329 PolarHBondContact O-N 3.38Å; R326-L330 HydrophobicContact CG-CD1 4.07Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 VanDerWaalsContact O-CG 3.22Å; R326-L330 WeakPolarHBondContact O-CG 3.34Å; R326-L330 PolarHBondContact O-N 3.19Å |
| 327 | E | 68.3 | Low | 58.7 | Low | 116 Ų | 116 | 115.7 Ų | 115.7 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -35.4 | 176.9 | -74.7 | 175.9 | -171.8 | 0 | 0 | 112.4 | R323 Q324 R331 | R323-E327 WeakPolarHBondContact O-CG 3.42Å; R323-E327 PolarHBondContact O-N 2.9Å; Q324-E327 PolarHBondContact O-N 3Å; E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.48Å |
| 328 | H | 65.1 | Low | 58.1 | Low | 110 Ų | 110 | 117.2 Ų | 117.2 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.2 | -49.4 | 172.9 | -165.1 | -83.3 | 0 | 0 | 0 | 111.7 | Q324 Q325 L330 R331 E332 | Q324-H328 PolarHBondContact O-N 3.37Å; Q325-H328 PolarHBondContact O-N 3.38Å; H328-L330 VanDerWaalsContact C-N 3.31Å; H328-L330 PolarHBondContact O-N 2.92Å; H328-R331 PolarHBondContact O-N 3.08Å; H328-R331 VanDerWaalsContact O-N 3.11Å; H328-E332 IonicContact CE1-OE1 3.28Å; H328-E332 PolarHBondContact CE1-OE1 3.31Å; H328-E332 IonicContact CE1-OE2 3.14Å; H328-E332 VanDerWaalsContact ND1-CD 3.31Å; H328-E332 IonicContact ND1-OE1 3.37Å; H328-E332 IonicContact ND1-OE2 3.52Å; H328-E332 PolarHBondContact ND1-OE2 3.39Å; H328-E332 PolarHBondContact O-N 3.3Å |
| 329 | L | 55.9 | Low | 57.1 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.9 | -36.4 | 177.9 | -69.7 | 169.7 | 0 | 0 | 0 | 112.4 | Q325 R326 A333 | Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.33Å; R326-L329 PolarHBondContact O-N 3.38Å; L329-A333 VanDerWaalsContact O-CB 3.28Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 2.91Å |
| 330 | L | 58.1 | Low | 56.4 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 56% | 0.555 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -30 | 175.2 | -72 | 170 | 0 | 0 | 0 | 112.7 | R326 H328 G334 | R326-L330 HydrophobicContact CG-CD1 4.07Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 VanDerWaalsContact O-CG 3.22Å; R326-L330 WeakPolarHBondContact O-CG 3.34Å; R326-L330 PolarHBondContact O-N 3.19Å; H328-L330 VanDerWaalsContact C-N 3.31Å; H328-L330 PolarHBondContact O-N 2.92Å; L330-G334 PolarHBondContact O-N 3.43Å |
| 331 | R | 62.7 | Low | 55.2 | Low | 203 Ų | 203 | 123.7 Ų | 123.7 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.7 | -39.2 | 172.9 | -79.7 | 179.5 | 177.6 | 179.7 | 1.4 | 112.1 | E327 H328 G334 | E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.48Å; H328-R331 PolarHBondContact O-N 3.08Å; H328-R331 VanDerWaalsContact O-N 3.11Å; R331-G334 PolarHBondContact O-N 3.43Å |
| 332 | E | 56.3 | Low | 53.9 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 46% | 0.463 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.6 | -44.8 | 174.1 | -73.2 | 174.6 | 141.5 | 0 | 0 | 111 | H328 G334 S335 | H328-E332 IonicContact CE1-OE1 3.28Å; H328-E332 PolarHBondContact CE1-OE1 3.31Å; H328-E332 IonicContact CE1-OE2 3.14Å; H328-E332 VanDerWaalsContact ND1-CD 3.31Å; H328-E332 IonicContact ND1-OE1 3.37Å; H328-E332 IonicContact ND1-OE2 3.52Å; H328-E332 PolarHBondContact ND1-OE2 3.39Å; H328-E332 PolarHBondContact O-N 3.3Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 2.94Å; E332-S335 PolarHBondContact O-N 3.48Å; E332-S335 VanDerWaalsContact O-N 3.17Å; E332-S335 PolarHBondContact O-OG 2.92Å |
| 333 | A | 53.7 | Low | 52.6 | Low | 72 Ų | 72 | 132.3 Ų | 132.3 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.8 | -26 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L329 S335 | L329-A333 VanDerWaalsContact O-CB 3.28Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 2.91Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.42Å |
| 334 | G | 52.3 | Low | 50.9 | Low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -8.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L330 R331 E332 | L330-G334 PolarHBondContact O-N 3.43Å; R331-G334 PolarHBondContact O-N 3.43Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 2.94Å |
| 335 | S | 50.3 | Low | 49.2 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -112.4 | -2.8 | -177.5 | 70.5 | 0 | 0 | 0 | 0 | 114.7 | E332 A333 | E332-S335 PolarHBondContact O-N 3.48Å; E332-S335 VanDerWaalsContact O-N 3.17Å; E332-S335 PolarHBondContact O-OG 2.92Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.42Å |
| 336 | A | 43.7 | Very low | 47.6 | Very low | 72 Ų | 72 | 130 Ų | 130 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | trans | -117.8 | 100.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q338 | A336-Q338 PolarHBondContact O-N 3.26Š| ||
| 337 | S | 43.4 | Very low | 46.1 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | -64.9 | 119 | 158.5 | 44.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 338 | Q | 44.7 | Very low | 44.5 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 51.6 | 93.4 | 159.8 | -76.5 | 176.9 | -40.5 | 0 | 0 | 118 | A336 | A336-Q338 PolarHBondContact O-N 3.26Š|
| 339 | E | 38 | Very low | 43.1 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | -174.2 | 134.9 | 120.7 | -107.4 | 172.6 | 162.6 | 0 | 0 | 108 | P341 | E339-P341 WeakPolarHBondContact O-CD 3.03Š| |||
| 340 | E | 43.1 | Very low | 42 | Very low | 197 Ų | 197 | 132 Ų | 132 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -87.8 | 121.7 | -175.2 | -169.5 | -179.7 | -156.5 | 0 | 0 | 109.6 | ||||
| 341 | P | 35.3 | Very low | 41.2 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | trans | -112 | 126.6 | 164.7 | 4.9 | 19.2 | 0 | 0 | 0 | 109.6 | E339 H343 | E339-P341 WeakPolarHBondContact O-CD 3.03Å; P341-H343 PolarHBondContact O-N 3.17Å; P341-H343 PolarHBondContact O-ND1 3.41Å | ||
| 342 | E | 35.2 | Very low | 39.9 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | trans | -53.8 | 107.5 | 164.6 | -80.2 | -176.1 | 134 | 0 | 0 | 110 | ||||
| 343 | H | 33.9 | Very low | 38.9 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | trans | -94 | 95.9 | 170.1 | -74.3 | 61.5 | 0 | 0 | 0 | 109 | P341 V345 | P341-H343 PolarHBondContact O-N 3.17Å; P341-H343 PolarHBondContact O-ND1 3.41Å; H343-V345 PolarHBondContact O-N 2.9Å | ||
| 344 | S | 30.9 | Very low | 37.8 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 111.4 | 161.7 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 345 | V | 31.9 | Very low | 36.9 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -94 | 104.8 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | H343 I347 | H343-V345 PolarHBondContact O-N 2.9Å; V345-I347 HydrophobicContact CG1-CG1 4.21Å; V345-I347 PolarHBondContact O-N 3.15Å | ||
| 346 | N | 31.1 | Very low | 36.1 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 109.3 | 168.1 | -82.9 | -27.3 | 0 | 0 | 0 | 109.5 | I348 | N346-I348 PolarHBondContact O-N 3.27Š| ||
| 347 | I | 33.8 | Very low | 35.9 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 108.2 | 174.6 | -56.4 | 174.4 | 0 | 0 | 0 | 108.1 | V345 L349 | V345-I347 HydrophobicContact CG1-CG1 4.21Å; V345-I347 PolarHBondContact O-N 3.15Å; I347-L349 HydrophobicContact CG2-CD1 4.11Å; I347-L349 PolarHBondContact O-N 2.85Å | ||
| 348 | I | 35 | Very low | 35.5 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -83 | 110.1 | 168.1 | -60.6 | 173.7 | 0 | 0 | 0 | 107.4 | N346 | N346-I348 PolarHBondContact O-N 3.27Š| ||
| 349 | L | 35 | Very low | 34.8 | Very low | 136 Ų | 136 | 152 Ų | 152 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 138 | 172.2 | -81.4 | 85.7 | 0 | 0 | 0 | 110.3 | I347 E351 | I347-L349 HydrophobicContact CG2-CD1 4.11Å; I347-L349 PolarHBondContact O-N 2.85Å; L349-E351 PolarHBondContact O-N 3.33Å | ||
| 350 | P | 33.7 | Very low | 34.7 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -68 | 130.5 | 168.6 | 25.8 | -29.8 | 0 | 0 | 0 | 110.8 | K352 | P350-K352 PolarHBondContact O-N 2.95Š| ||
| 351 | E | 42.3 | Very low | 34.1 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -68.9 | 78.2 | -174.6 | -166.2 | -178.5 | -154.8 | 0 | 0 | 112 | L349 | L349-E351 PolarHBondContact O-N 3.33Š|
| 352 | K | 34.6 | Very low | 33.9 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -175.3 | 67.3 | 156.2 | -112.4 | 171.4 | -175.8 | 175.4 | 0 | 113.9 | P350 | P350-K352 PolarHBondContact O-N 2.95Š| ||
| 353 | I | 34.8 | Very low | 33.9 | Very low | 148 Ų | 148 | 156.6 Ų | 156.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -134.4 | 96.6 | 153.3 | -53.2 | 178.3 | 0 | 0 | 0 | 107.8 | L355 | I353-L355 HydrophobicContact CG2-CG 4.43Å; I353-L355 PolarHBondContact O-N 3.28Å; I353-L355 VanDerWaalsContact O-N 3.09Å | ||
| 354 | R | 31.4 | Very low | 33.7 | Very low | 249 Ų | 249 | 154.6 Ų | 154.6 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 101.4 | 165.4 | -87.2 | -170.2 | 174.4 | 174.2 | -0.8 | 108 | S356 | R354-S356 PolarHBondContact O-N 3Š| ||
| 355 | L | 33.5 | Very low | 33.8 | Very low | 163 Ų | 163 | 160.9 Ų | 160.9 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -77.6 | 93.6 | 162.5 | -81.2 | 154.2 | 0 | 0 | 0 | 108.2 | I353 | I353-L355 HydrophobicContact CG2-CG 4.43Å; I353-L355 PolarHBondContact O-N 3.28Å; I353-L355 VanDerWaalsContact O-N 3.09Å | ||
| 356 | S | 33.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 163.3 Ų | 163.3 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | -83.8 | 112.5 | 163.5 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | R354 | R354-S356 PolarHBondContact O-N 3Š| ||
| 357 | S | 39.5 | Very low | 34 | Very low | 99 Ų | 99 | 164 Ų | 164 | 69% | 0.692 | 83% | 0.833 | S | S | * | * | trans | 54 | 112.6 | 161.1 | 77.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 358 | F | 33.4 | Very low | 34 | Very low | 215 Ų | 215 | 165.5 Ų | 165.5 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | -148.9 | 129.1 | 116.7 | -107.6 | -81.8 | 0 | 0 | 0 | 108.2 | |||||
| 359 | G | 31.4 | Very low | 34 | Very low | 65 Ų | 65 | 165.8 Ų | 165.8 | 67% | 0.67 | 84% | 0.842 | S | S | * | * | trans | -79 | 160 | -163 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 360 | R | 35.6 | Very low | 33.9 | Very low | 226 Ų | 226 | 167.7 Ų | 167.7 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | 51.9 | 101.5 | 146.1 | -59.4 | -175.6 | 179.8 | -180 | -0.1 | 116.4 | ||||
| 361 | H | 30.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 170.9 Ų | 170.9 | 82% | 0.815 | 86% | 0.855 | S | S | * | * | 169.4 | 117.1 | 98.6 | -89.6 | -72.5 | 0 | 0 | 0 | 108.8 | |||||
| 362 | Y | 31.4 | Very low | 33.3 | Very low | 228 Ų | 228 | 169.1 Ų | 169.1 | 89% | 0.894 | 85% | 0.851 | S | S | * | * | trans | -75.8 | 136.6 | 156.2 | -80.6 | -91.8 | 0 | 0 | 0 | 108.2 | ||||
| 363 | T | 34.3 | Very low | 33.2 | Very low | 141 Ų | 141 | 166.8 Ų | 166.8 | 87% | 0.865 | 85% | 0.849 | S | S | * | * | -155.4 | 123.8 | 129.6 | 42 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 364 | S | 30.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 168.4 Ų | 168.4 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -56.8 | 148.6 | 166.5 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 365 | I | 32.2 | Very low | 33.3 | Very low | 242 Ų | 242 | 161.1 Ų | 161.1 | 100% | 1.241 | 85% | 0.849 | S | S | * | * | -139.7 | 0 | 110.7 | -87 | 166.5 | 0 | 0 | 0 | 106 |
Retrieved 365 of 365 residues in 343.5 ms
(Link to these results)