| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.8 | Low | 59.9 | Low | 198 Ų | 198 | 116 Ų | 116 | 98% | 0.975 | 60% | 0.604 | S | S | * | * | 0 | -50.3 | 0 | -65.3 | 177.3 | -168.9 | 0 | 0 | 112.7 | L3 I4 V5 | M1-L3 PolarHBondContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.08Å; M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.17Å | |||
| 2 | R | 58.3 | Low | 59.4 | Low | 221 Ų | 221 | 115.7 Ų | 115.7 | 83% | 0.834 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.2 | -40.4 | 179.8 | -68.3 | -176.8 | 176.7 | 174.6 | -1.3 | 115.2 | I4 V5 I6 | R2-I4 PolarHBondContact O-N 2.99Å; R2-V5 PolarHBondContact O-N 2.94Å; R2-I6 WeakPolarHBondContact O-CD1 3.42Å; R2-I6 VanDerWaalsContact O-CG1 3.26Å; R2-I6 WeakPolarHBondContact O-CG1 3.2Å; R2-I6 PolarHBondContact O-N 2.68Å; R2-I6 VanDerWaalsContact O-N 3.07Å |
| 3 | L | 55.8 | Low | 58.7 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 78% | 0.78 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66 | -35.4 | 176.2 | -95.4 | 97.5 | 0 | 0 | 0 | 113.5 | M1 I6 S7 | M1-L3 PolarHBondContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 2.76Å; L3-S7 WeakPolarHBondContact O-CB 3.28Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.81Å |
| 4 | I | 63.9 | Low | 58.3 | Low | 119 Ų | 119 | 118.2 Ų | 118.2 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.6 | -35.8 | -179.5 | -57.3 | 172.9 | 0 | 0 | 0 | 110.3 | M1 R2 S7 A8 | M1-I4 PolarHBondContact O-N 3.08Å; R2-I4 PolarHBondContact O-N 2.99Å; I4-S7 WeakPolarHBondContact CA-OG 3.3Å; I4-S7 PolarHBondContact O-OG 3.33Å; I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 2.95Å |
| 5 | V | 65.1 | Low | 57.8 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.7 | -40.6 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | M1 R2 A8 V9 | M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.17Å; R2-V5 PolarHBondContact O-N 2.94Å; V5-A8 PolarHBondContact O-N 2.87Å; V5-V9 HydrophobicContact CG1-CG2 4.31Å; V5-V9 WeakPolarHBondContact O-CB 3.06Å; V5-V9 WeakPolarHBondContact O-CG2 3.4Å; V5-V9 PolarHBondContact O-N 3.47Å |
| 6 | I | 64.6 | Low | 57.3 | Low | 101 Ų | 101 | 118.6 Ų | 118.6 | 52% | 0.518 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.3 | -41.5 | 176.6 | -64.8 | 162.6 | 0 | 0 | 0 | 110.9 | R2 L3 V9 L10 | R2-I6 WeakPolarHBondContact O-CD1 3.42Å; R2-I6 VanDerWaalsContact O-CG1 3.26Å; R2-I6 WeakPolarHBondContact O-CG1 3.2Å; R2-I6 PolarHBondContact O-N 2.68Å; R2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.76Å; I6-V9 PolarHBondContact O-N 3.15Å; I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.49Å; I6-L10 WeakPolarHBondContact O-CB 3.34Å; I6-L10 VanDerWaalsContact O-CG 3.32Å; I6-L10 WeakPolarHBondContact O-CG 3.1Å; I6-L10 PolarHBondContact O-N 2.7Å |
| 7 | S | 60 | Low | 56.9 | Low | 56 Ų | 56 | 114.7 Ų | 114.7 | 39% | 0.392 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -39 | 174.9 | 64.1 | 0 | 0 | 0 | 0 | 112 | L3 I4 L10 L11 | L3-S7 WeakPolarHBondContact O-CB 3.28Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.81Å; I4-S7 WeakPolarHBondContact CA-OG 3.3Å; I4-S7 PolarHBondContact O-OG 3.33Å; S7-L10 PolarHBondContact O-N 3.11Å; S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.04Å; S7-L11 PolarHBondContact O-N 3.01Å |
| 8 | A | 60.7 | Low | 56.9 | Low | 44 Ų | 44 | 118.7 Ų | 118.7 | 36% | 0.364 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.6 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I4 V5 L11 L12 | I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 2.95Å; V5-A8 PolarHBondContact O-N 2.87Å; A8-L11 PolarHBondContact O-N 2.87Å; A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.2Å |
| 9 | V | 60.2 | Low | 57.5 | Low | 76 Ų | 76 | 118.5 Ų | 118.5 | 46% | 0.461 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.5 | -37.4 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | V5 I6 L12 K13 | V5-V9 HydrophobicContact CG1-CG2 4.31Å; V5-V9 WeakPolarHBondContact O-CB 3.06Å; V5-V9 WeakPolarHBondContact O-CG2 3.4Å; V5-V9 PolarHBondContact O-N 3.47Å; I6-V9 PolarHBondContact O-N 3.15Å; V9-L12 PolarHBondContact O-N 2.88Å; V9-K13 HydrophobicContact CG1-CG 4.48Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.23Å; V9-K13 PolarHBondContact O-N 2.93Å |
| 10 | L | 57.5 | Low | 58.7 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -42.1 | 172 | -78.5 | 163.9 | 0 | 0 | 0 | 111.3 | I6 S7 K13 V14 | I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.49Å; I6-L10 WeakPolarHBondContact O-CB 3.34Å; I6-L10 VanDerWaalsContact O-CG 3.32Å; I6-L10 WeakPolarHBondContact O-CG 3.1Å; I6-L10 PolarHBondContact O-N 2.7Å; S7-L10 PolarHBondContact O-N 3.11Å; L10-K13 PolarHBondContact O-N 2.99Å; L10-V14 WeakPolarHBondContact O-CB 3.46Å; L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 2.86Å |
| 11 | L | 56.5 | Low | 59.8 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 173 | -74.6 | 163.2 | 0 | 0 | 0 | 111.2 | S7 A8 V14 T15 | S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.04Å; S7-L11 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 2.87Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 PolarHBondContact O-OG1 2.76Å; L11-T15 VanDerWaalsContact O-OG1 3.1Å |
| 12 | L | 53.2 | Low | 61 | Low | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -42 | 173.9 | -116.2 | 105.7 | 0 | 0 | 0 | 112.3 | A8 V9 V14 T15 L16 | A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.2Å; V9-L12 PolarHBondContact O-N 2.88Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-T15 VanDerWaalsContact CA-OG1 3.31Å; L12-T15 WeakPolarHBondContact CA-OG1 3Å; L12-T15 PolarHBondContact O-N 3.25Å; L12-T15 PolarHBondContact O-OG1 2.88Å; L12-L16 WeakPolarHBondContact O-CD1 3.08Å; L12-L16 PolarHBondContact O-N 3.46Å |
| 13 | K | 50.7 | Low | 62.3 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.3 | -33.7 | 176.5 | -73.3 | -112.8 | 177.7 | 175.9 | 0 | 112.1 | V9 L10 G17 | V9-K13 HydrophobicContact CG1-CG 4.48Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.23Å; V9-K13 PolarHBondContact O-N 2.93Å; L10-K13 PolarHBondContact O-N 2.99Å; K13-G17 PolarHBondContact O-N 3.48Å |
| 14 | V | 52.6 | Low | 63.7 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74 | -34.8 | 175 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L10 L11 L12 L16 G17 | L10-V14 WeakPolarHBondContact O-CB 3.46Å; L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 2.86Å; L11-V14 PolarHBondContact O-N 3.28Å; L12-V14 VanDerWaalsContact C-N 3.33Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-G17 PolarHBondContact O-N 3.28Å |
| 15 | T | 50.8 | Low | 64.8 | Low | 111 Ų | 111 | 94.9 Ų | 94.9 | 68% | 0.681 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.4 | -20.5 | 173.2 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | L11 L12 | L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 PolarHBondContact O-OG1 2.76Å; L11-T15 VanDerWaalsContact O-OG1 3.1Å; L12-T15 VanDerWaalsContact CA-OG1 3.31Å; L12-T15 WeakPolarHBondContact CA-OG1 3Å; L12-T15 PolarHBondContact O-N 3.25Å; L12-T15 PolarHBondContact O-OG1 2.88Å |
| 16 | L | 49.9 | Very low | 65.9 | Low | 132 Ų | 132 | 91.1 Ų | 91.1 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.5 | 171.6 | -96.8 | 75 | 0 | 0 | 0 | 113.1 | L12 V14 K18 | L12-L16 WeakPolarHBondContact O-CD1 3.08Å; L12-L16 PolarHBondContact O-N 3.46Å; V14-L16 VanDerWaalsContact C-N 3.34Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.41Å |
| 17 | G | 50.5 | Low | 66.9 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 70.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | K13 V14 | K13-G17 PolarHBondContact O-N 3.48Å; V14-G17 PolarHBondContact O-N 3.28Å |
| 18 | K | 58 | Low | 68.1 | Low | 186 Ų | 186 | 94.3 Ų | 94.3 | 81% | 0.809 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.4 | 63.8 | 165.3 | -73.8 | 169.5 | 172.7 | 166.4 | 0 | 112.2 | L16 C20 Y25 | L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.41Å; K18-C20 PolarHBondContact O-N 3.26Å; K18-Y25 PolarHBondContact O-OH 2.69Å |
| 19 | S | 67.1 | Low | 69.2 | Low | 115 Ų | 115 | 94.8 Ų | 94.8 | 80% | 0.804 | 55% | 0.55 | S | S | * | * | trans | -67.1 | 102.3 | 158.7 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | A21 | S19-A21 PolarHBondContact O-N 2.89Š| ||
| 20 | C | 81.7 | Confident | 70.5 | Confident | 19 Ų | 19 | 97.1 Ų | 97.1 | 13% | 0.128 | 56% | 0.555 | C | S | . | * | trans | -71.6 | 117.9 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | K18 S22 G23 K24 Y25 C31 | K18-C20 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-N 2.72Å; C20-S22 PolarHBondContact SG-OG 3.38Å; C20-G23 PolarHBondContact O-N 2.89Å; C20-K24 PolarHBondContact SG-O 3.41Å; C20-Y25 HydrophobicContact CB-CE1 3.64Å; C20-Y25 HydrophobicContact CB-CE2 4.15Å; C20-Y25 VanDerWaalsContact CB-CZ 3.4Å; C20-Y25 WeakPolarHBondContact CB-OH 3.5Å; C20-C31 WeakPolarHBondContact CA-SG 3.35Å; C20-C31 HydrophobicContact CB-CB 3.82Å; C20-C31 WeakPolarHBondContact CB-SG 3.36Å; C20-C31 VanDerWaalsContact SG-CA 3.55Å; C20-C31 WeakPolarHBondContact SG-CB 3.32Å; C20-C31 CovalentContact SG-SG 2.03Å; C20-C31 PolarHBondContact SG-SG 3.48Å | ||
| 21 | A | 82.3 | Confident | 72 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S19 L34 | S19-A21 PolarHBondContact O-N 2.89Å; A21-L34 HydrophobicContact CB-CD1 4.3Å |
| 22 | S | 82.3 | Confident | 73.6 | Confident | 20 Ų | 20 | 89 Ų | 89 | 14% | 0.14 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.2 | 177.7 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | C20 K24 C32 L34 | C20-S22 PolarHBondContact O-N 2.72Å; C20-S22 PolarHBondContact SG-OG 3.38Å; S22-K24 PolarHBondContact O-N 3.42Å; S22-K24 PolarHBondContact OG-O 3.01Å; S22-C32 VanDerWaalsContact CB-O 3.23Å; S22-C32 WeakPolarHBondContact CB-O 3.28Å; S22-C32 PolarHBondContact OG-O 2.82Å; S22-L34 VanDerWaalsContact CB-CD2 3.44Å |
| 23 | G | 84.2 | Confident | 75.4 | Confident | 59 Ų | 59 | 88.2 Ų | 88.2 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 64.3 | 4.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | C20 | C20-G23 PolarHBondContact O-N 2.89Š|
| 24 | K | 85.6 | Confident | 77.4 | Confident | 116 Ų | 116 | 83 Ų | 83 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | trans | -122.5 | 151 | -179.2 | -65.4 | -166.2 | -175.6 | 178.6 | 0 | 111.3 | C20 S22 C32 L66 | C20-K24 PolarHBondContact SG-O 3.41Å; S22-K24 PolarHBondContact O-N 3.42Å; S22-K24 PolarHBondContact OG-O 3.01Å; K24-C32 HydrophobicContact CB-CB 4.09Å; K24-C32 VanDerWaalsContact CB-SG 3.53Å; K24-C32 PolarHBondContact O-N 2.97Å; K24-C32 PolarHBondContact O-SG 3.42Å; K24-L66 HydrophobicContact CB-CD1 4.44Å; K24-L66 HydrophobicContact CD-CD1 3.8Å; K24-L66 HydrophobicContact CG-CD1 4.22Å | ||
| 25 | Y | 87.4 | Confident | 79.4 | Confident | 122 Ų | 122 | 77.9 Ų | 77.9 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -129.8 | 149.2 | 179.8 | -60.8 | -90.6 | 0 | 0 | 0 | 111 | K18 C20 H30 C31 C32 | K18-Y25 PolarHBondContact O-OH 2.69Å; C20-Y25 HydrophobicContact CB-CE1 3.64Å; C20-Y25 HydrophobicContact CB-CE2 4.15Å; C20-Y25 VanDerWaalsContact CB-CZ 3.4Å; C20-Y25 WeakPolarHBondContact CB-OH 3.5Å; Y25-H30 CarbonylContact C-O 3.58Å; Y25-H30 WeakPolarHBondContact CA-O 3.23Å; Y25-C31 HydrophobicContact CD1-CB 4.47Å; Y25-C31 HydrophobicContact CE1-CB 4.37Å; Y25-C32 VanDerWaalsContact C-SG 3.55Å; Y25-C32 PolarHBondContact N-SG 2.92Å; Y25-C32 VanDerWaalsContact N-SG 3.44Å |
| 26 | T | 87.9 | Confident | 81.6 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 6% | 0.061 | 45% | 0.45 | C | S | . | . | trans | -69.4 | 163.1 | 168.9 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | S28 G29 H30 C45 G46 | T26-S28 WeakPolarHBondContact CB-OG 3.18Å; T26-S28 PolarHBondContact O-N 3.35Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 3.49Å; T26-G29 PolarHBondContact O-N 3.06Å; T26-G29 PolarHBondContact OG1-N 3.43Å; T26-H30 HydrophobicContact CG2-CB 4.48Å; T26-H30 PolarHBondContact N-O 3.48Å; T26-H30 WeakPolarHBondContact OG1-CB 3.36Å; T26-H30 PolarHBondContact OG1-N 3.25Å; T26-H30 PolarHBondContact OG1-O 3.49Å; T26-C45 WeakPolarHBondContact CG2-SG 3.44Å; T26-G46 CarbonylContact C-O 3.46Å; T26-G46 WeakPolarHBondContact CA-O 3.42Å; T26-G46 WeakPolarHBondContact CB-O 3.03Å | ||
| 27 | E | 86.9 | Confident | 83.8 | Confident | 150 Ų | 150 | 73 Ų | 73 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.3 | 172.2 | -67.6 | -178.9 | -168.2 | 0 | 0 | 112.5 | G29 G46 K47 | E27-G29 VanDerWaalsContact C-N 3.32Å; E27-G46 PolarHBondContact N-O 2.87Å; E27-K47 WeakPolarHBondContact OE2-CG 2.98Å |
| 28 | S | 84.4 | Confident | 85.9 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.1 | 174.2 | 45.5 | 0 | 0 | 0 | 0 | 114.5 | T26 H30 | T26-S28 WeakPolarHBondContact CB-OG 3.18Å; T26-S28 PolarHBondContact O-N 3.35Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 3.49Å; S28-H30 PolarHBondContact OG-CD2 2.99Å |
| 29 | G | 83.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 67 Ų | 67 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 81.5 | 15.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | T26 E27 | T26-G29 PolarHBondContact O-N 3.06Å; T26-G29 PolarHBondContact OG1-N 3.43Å; E27-G29 VanDerWaalsContact C-N 3.32Å |
| 30 | H | 87.1 | Confident | 89 | Confident | 124 Ų | 124 | 61.6 Ų | 61.6 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 147.3 | 172.9 | -60.9 | -66.7 | 0 | 0 | 0 | 110.7 | Y25 T26 S28 | Y25-H30 CarbonylContact C-O 3.58Å; Y25-H30 WeakPolarHBondContact CA-O 3.23Å; T26-H30 HydrophobicContact CG2-CB 4.48Å; T26-H30 PolarHBondContact N-O 3.48Å; T26-H30 WeakPolarHBondContact OG1-CB 3.36Å; T26-H30 PolarHBondContact OG1-N 3.25Å; T26-H30 PolarHBondContact OG1-O 3.49Å; S28-H30 PolarHBondContact OG-CD2 2.99Å |
| 31 | C | 88.9 | Confident | 89.6 | Confident | 49 Ų | 49 | 61 Ų | 61 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 135.3 | 176.2 | 177 | 0 | 0 | 0 | 0 | 109.9 | C20 Y25 | C20-C31 WeakPolarHBondContact CA-SG 3.35Å; C20-C31 HydrophobicContact CB-CB 3.82Å; C20-C31 WeakPolarHBondContact CB-SG 3.36Å; C20-C31 VanDerWaalsContact SG-CA 3.55Å; C20-C31 WeakPolarHBondContact SG-CB 3.32Å; C20-C31 CovalentContact SG-SG 2.03Å; C20-C31 PolarHBondContact SG-SG 3.48Å; Y25-C31 HydrophobicContact CD1-CB 4.47Å; Y25-C31 HydrophobicContact CE1-CB 4.37Å |
| 32 | C | 91 | Very high | 90.1 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 134.4 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | S22 K24 Y25 C45 N49 | S22-C32 VanDerWaalsContact CB-O 3.23Å; S22-C32 WeakPolarHBondContact CB-O 3.28Å; S22-C32 PolarHBondContact OG-O 2.82Å; K24-C32 HydrophobicContact CB-CB 4.09Å; K24-C32 VanDerWaalsContact CB-SG 3.53Å; K24-C32 PolarHBondContact O-N 2.97Å; K24-C32 PolarHBondContact O-SG 3.42Å; Y25-C32 VanDerWaalsContact C-SG 3.55Å; Y25-C32 PolarHBondContact N-SG 2.92Å; Y25-C32 VanDerWaalsContact N-SG 3.44Å; C32-C45 HydrophobicContact CB-CB 3.54Å; C32-C45 WeakPolarHBondContact CB-SG 3.38Å; C32-C45 WeakPolarHBondContact SG-CB 3.42Å; C32-C45 CovalentContact SG-SG 2.02Å; C32-C45 PolarHBondContact SG-SG 2.82Å; C32-N49 WeakPolarHBondContact CA-OD1 3.38Å |
| 33 | N | 91.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 141.1 | 175.4 | -66 | -16.1 | 0 | 0 | 0 | 109.9 | N49 T50 L66 | N33-N49 VanDerWaalsContact CG-ND2 3.33Å; N33-N49 PolarHBondContact N-OD1 3.25Å; N33-N49 PolarHBondContact ND2-ND2 3.07Å; N33-N49 PolarHBondContact OD1-ND2 3.43Å; N33-T50 WeakPolarHBondContact O-CB 3.26Å; N33-T50 WeakPolarHBondContact O-CG2 3.36Å; N33-T50 PolarHBondContact O-OG1 3.42Å; N33-L66 VanDerWaalsContact O-CD2 3.29Å; N33-L66 WeakPolarHBondContact O-CD2 3.16Å |
| 34 | L | 92.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 145.9 | 168.7 | -64.6 | 176.7 | 0 | 0 | 0 | 109.3 | A21 S22 E64 L66 | A21-L34 HydrophobicContact CB-CD1 4.3Å; S22-L34 VanDerWaalsContact CB-CD2 3.44Å; L34-E64 HydrophobicContact CB-CB 4.46Å; L34-E64 HydrophobicContact CD1-CG 4.25Å; L34-L66 HydrophobicContact CD2-CD2 4.15Å; L34-L66 HydrophobicContact CD2-CG 3.8Å |
| 35 | C | 94.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 133.6 | 168.4 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | C52 E64 G65 | C35-C52 WeakPolarHBondContact CA-SG 3.4Å; C35-C52 HydrophobicContact CB-CB 3.75Å; C35-C52 WeakPolarHBondContact CB-SG 3.31Å; C35-C52 WeakPolarHBondContact SG-CB 3.09Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 2.91Å; C35-E64 CarbonylContact O-C 3.57Å; C35-E64 WeakPolarHBondContact O-CA 3.32Å; C35-G65 WeakPolarHBondContact CB-O 3.38Å; C35-G65 PolarHBondContact N-O 3.17Å; C35-G65 PolarHBondContact O-N 2.86Å |
| 36 | P | 95.4 | Very high | 91.1 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 165.8 | 177.9 | 29.7 | -34.5 | 0 | 0 | 0 | 111.3 | G38 Y39 | P36-G38 PolarHBondContact O-N 2.93Å; P36-Y39 HydrophobicContact CG-CD2 3.74Å; P36-Y39 HydrophobicContact CG-CE2 4.46Å; P36-Y39 HydrophobicContact CG-CG 3.99Å; P36-Y39 WeakPolarHBondContact O-CB 3.44Å; P36-Y39 PolarHBondContact O-N 2.59Å |
| 37 | V | 95.9 | Very high | 91.1 | Very high | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.5 | 172.2 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | Y39 T88 | V37-Y39 PolarHBondContact O-N 3.02Å; V37-T88 HydrophobicContact CB-CG2 4.15Å; V37-T88 HydrophobicContact CG2-CG2 4.12Å |
| 38 | G | 94.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -7.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | P36 C55 S61 A87 | P36-G38 PolarHBondContact O-N 2.93Å; G38-C55 PolarHBondContact O-N 3.24Å; G38-C55 PolarHBondContact O-SG 3.27Å; G38-S61 PolarHBondContact N-O 2.82Å; G38-S61 VanDerWaalsContact N-O 3.07Å; G38-A87 VanDerWaalsContact CA-O 3.29Å; G38-A87 WeakPolarHBondContact CA-O 3.29Å |
| 39 | Y | 96.2 | Very high | 91.4 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.5 | 176.8 | -68 | -108.5 | 0 | 0 | 0 | 110 | P36 V37 Q53 P54 S61 | P36-Y39 HydrophobicContact CG-CD2 3.74Å; P36-Y39 HydrophobicContact CG-CE2 4.46Å; P36-Y39 HydrophobicContact CG-CG 3.99Å; P36-Y39 WeakPolarHBondContact O-CB 3.44Å; P36-Y39 PolarHBondContact O-N 2.59Å; V37-Y39 PolarHBondContact O-N 3.02Å; Y39-Q53 CarbonylContact C-O 3.4Å; Y39-Q53 WeakPolarHBondContact CA-O 3.31Å; Y39-Q53 WeakPolarHBondContact CB-O 3.25Å; Y39-Q53 VanDerWaalsContact CD1-C 3.44Å; Y39-P54 HydrophobicContact CD1-CB 4.22Å; Y39-P54 HydrophobicContact CE1-CB 3.89Å; Y39-P54 HydrophobicContact CE1-CG 4.43Å; Y39-S61 WeakPolarHBondContact O-CB 3.03Å; Y39-S61 PolarHBondContact O-OG 3.49Å |
| 40 | G | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 165.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E42 C52 Q53 C69 | G40-E42 PolarHBondContact O-N 3.25Å; G40-C52 WeakPolarHBondContact O-CA 3.24Å; G40-Q53 PolarHBondContact N-O 3.42Å; G40-Q53 PolarHBondContact O-N 2.93Å; G40-C69 VanDerWaalsContact CA-SG 3.51Å; G40-C69 PolarHBondContact N-SG 2.79Å; G40-C69 VanDerWaalsContact N-SG 3.38Å |
| 41 | L | 94.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 135.3 | 173.6 | -170.2 | 66.9 | 0 | 0 | 0 | 111 | E43 T44 T50 Q53 L66 D67 F68 | L41-E43 VanDerWaalsContact CD1-O 3.24Å; L41-E43 WeakPolarHBondContact CD1-O 3.2Å; L41-T44 HydrophobicContact CD2-CG2 3.67Å; L41-T50 HydrophobicContact CD1-CG2 3.26Å; L41-Q53 PolarHBondContact O-NE2 2.95Å; L41-L66 VanDerWaalsContact CD2-O 3.27Å; L41-L66 WeakPolarHBondContact CD2-O 3.27Å; L41-D67 PolarHBondContact N-O 3.42Å; L41-F68 HydrophobicContact CB-CD1 4.11Å; L41-F68 HydrophobicContact CB-CE1 4.16Å; L41-F68 HydrophobicContact CB-CG 4.27Å; L41-F68 HydrophobicContact CB-CZ 4.4Å; L41-F68 HydrophobicContact CD2-CD2 4.48Å; L41-F68 HydrophobicContact CD2-CE1 4.34Å; L41-F68 HydrophobicContact CD2-CE2 3.88Å; L41-F68 HydrophobicContact CD2-CZ 3.8Å; L41-F68 HydrophobicContact CG-CE1 4.23Å; L41-F68 HydrophobicContact CG-CZ 4.18Å; L41-F68 WeakPolarHBondContact O-CD1 3.18Å; L41-F68 VanDerWaalsContact O-CE1 3.31Å; L41-F68 WeakPolarHBondContact O-CE1 3.38Å |
| 42 | E | 93.6 | Very high | 92.4 | Very high | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -52.4 | 168 | -173.9 | 179 | -169.1 | 0 | 0 | 109.6 | G40 K51 Q53 | G40-E42 PolarHBondContact O-N 3.25Å; E42-K51 PolarHBondContact N-O 2.8Å; E42-Q53 HydrophobicContact CB-CB 4.15Å; E42-Q53 HydrophobicContact CB-CG 3.98Å |
| 43 | E | 91.3 | Very high | 92.7 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130 | 176.1 | -63.5 | -177.8 | 174.1 | 0 | 0 | 110.6 | L41 K51 | L41-E43 VanDerWaalsContact CD1-O 3.24Å; L41-E43 WeakPolarHBondContact CD1-O 3.2Å; E43-K51 HydrophobicContact CB-CB 4.12Å; E43-K51 HydrophobicContact CB-CG 4.49Å; E43-K51 HydrophobicContact CG-CD 4.47Å; E43-K51 PolarHBondContact N-O 3.16Å; E43-K51 PolarHBondContact O-N 2.73Å; E43-K51 IonicContact OE1-NZ 3.07Å; E43-K51 WeakPolarHBondContact OE2-CD 3.17Å; E43-K51 WeakPolarHBondContact OE2-CE 3.49Å; E43-K51 IonicContact OE2-NZ 3.77Å; E43-K51 PolarHBondContact OE2-NZ 3.07Å |
| 44 | T | 90.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | trans | -63.5 | 140 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | L41 G46 | L41-T44 HydrophobicContact CD2-CG2 3.67Å; T44-G46 PolarHBondContact O-N 3.47Å | ||
| 45 | C | 90.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -56.7 | 132.8 | 169.9 | -175 | 0 | 0 | 0 | 0 | 112.3 | T26 C32 | T26-C45 WeakPolarHBondContact CG2-SG 3.44Å; C32-C45 HydrophobicContact CB-CB 3.54Å; C32-C45 WeakPolarHBondContact CB-SG 3.38Å; C32-C45 WeakPolarHBondContact SG-CB 3.42Å; C32-C45 CovalentContact SG-SG 2.02Å; C32-C45 PolarHBondContact SG-SG 2.82Å |
| 46 | G | 87.9 | Confident | 93.1 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -165.1 | -101.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T26 E27 T44 E48 | T26-G46 CarbonylContact C-O 3.46Å; T26-G46 WeakPolarHBondContact CA-O 3.42Å; T26-G46 WeakPolarHBondContact CB-O 3.03Å; E27-G46 PolarHBondContact N-O 2.87Å; T44-G46 PolarHBondContact O-N 3.47Å; G46-E48 PolarHBondContact N-O 3.41Å |
| 47 | K | 87.3 | Confident | 93 | Very high | 165 Ų | 165 | 67.7 Ų | 67.7 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68 | -45.7 | 170.8 | -69.8 | -177.8 | -179.9 | -179.6 | 0 | 111.9 | E27 | E27-K47 WeakPolarHBondContact OE2-CG 2.98Š|
| 48 | E | 88.4 | Confident | 92.9 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -99.6 | 164.4 | 173.1 | -62.2 | -173.9 | 170.6 | 0 | 0 | 110 | G46 K51 | G46-E48 PolarHBondContact N-O 3.41Å; E48-K51 VanDerWaalsContact OE2-CE 3.25Å; E48-K51 WeakPolarHBondContact OE2-CE 3.47Å; E48-K51 IonicContact OE2-NZ 2.87Å; E48-K51 PolarHBondContact OE2-NZ 2Å |
| 49 | N | 89.1 | Confident | 92.9 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -72 | 164.5 | 174.8 | -153.2 | -24 | 0 | 0 | 0 | 110.3 | C32 N33 K51 | C32-N49 WeakPolarHBondContact CA-OD1 3.38Å; N33-N49 VanDerWaalsContact CG-ND2 3.33Å; N33-N49 PolarHBondContact N-OD1 3.25Å; N33-N49 PolarHBondContact ND2-ND2 3.07Å; N33-N49 PolarHBondContact OD1-ND2 3.43Å; N49-K51 PolarHBondContact O-N 3.07Å |
| 50 | T | 92.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 129.4 | 177.3 | -45.1 | 0 | 0 | 0 | 0 | 111.2 | N33 L41 L66 | N33-T50 WeakPolarHBondContact O-CB 3.26Å; N33-T50 WeakPolarHBondContact O-CG2 3.36Å; N33-T50 PolarHBondContact O-OG1 3.42Å; L41-T50 HydrophobicContact CD1-CG2 3.26Å; T50-L66 HydrophobicContact CG2-CD2 3.59Å |
| 51 | K | 94.3 | Very high | 93 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.9 | 167.4 | -65 | -173.9 | -171.6 | 139 | 0 | 109.9 | E42 E43 E48 N49 | E42-K51 PolarHBondContact N-O 2.8Å; E43-K51 HydrophobicContact CB-CB 4.12Å; E43-K51 HydrophobicContact CB-CG 4.49Å; E43-K51 HydrophobicContact CG-CD 4.47Å; E43-K51 PolarHBondContact N-O 3.16Å; E43-K51 PolarHBondContact O-N 2.73Å; E43-K51 IonicContact OE1-NZ 3.07Å; E43-K51 WeakPolarHBondContact OE2-CD 3.17Å; E43-K51 WeakPolarHBondContact OE2-CE 3.49Å; E43-K51 IonicContact OE2-NZ 3.77Å; E43-K51 PolarHBondContact OE2-NZ 3.07Å; E48-K51 VanDerWaalsContact OE2-CE 3.25Å; E48-K51 WeakPolarHBondContact OE2-CE 3.47Å; E48-K51 IonicContact OE2-NZ 2.87Å; E48-K51 PolarHBondContact OE2-NZ 2Å; N49-K51 PolarHBondContact O-N 3.07Å |
| 52 | C | 95.5 | Very high | 93 | Very high | 44 Ų | 44 | 67.2 Ų | 67.2 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.6 | -176 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | C35 G40 | C35-C52 WeakPolarHBondContact CA-SG 3.4Å; C35-C52 HydrophobicContact CB-CB 3.75Å; C35-C52 WeakPolarHBondContact CB-SG 3.31Å; C35-C52 WeakPolarHBondContact SG-CB 3.09Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 2.91Å; G40-C52 WeakPolarHBondContact O-CA 3.24Å |
| 53 | Q | 95.6 | Very high | 93 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.9 | 177.6 | 64.1 | -178 | -40.3 | 0 | 0 | 110.4 | Y39 G40 L41 E42 | Y39-Q53 CarbonylContact C-O 3.4Å; Y39-Q53 WeakPolarHBondContact CA-O 3.31Å; Y39-Q53 WeakPolarHBondContact CB-O 3.25Å; Y39-Q53 VanDerWaalsContact CD1-C 3.44Å; G40-Q53 PolarHBondContact N-O 3.42Å; G40-Q53 PolarHBondContact O-N 2.93Å; L41-Q53 PolarHBondContact O-NE2 2.95Å; E42-Q53 HydrophobicContact CB-CB 4.15Å; E42-Q53 HydrophobicContact CB-CG 3.98Å |
| 54 | P | 96.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.6 | 174.7 | 28 | -34 | 0 | 0 | 0 | 110.1 | Y39 L56 | Y39-P54 HydrophobicContact CD1-CB 4.22Å; Y39-P54 HydrophobicContact CE1-CB 3.89Å; Y39-P54 HydrophobicContact CE1-CG 4.43Å; P54-L56 PolarHBondContact O-N 2.92Å |
| 55 | C | 96.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 128.6 | 176.7 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | G38 T59 C69 A87 | G38-C55 PolarHBondContact O-N 3.24Å; G38-C55 PolarHBondContact O-SG 3.27Å; C55-T59 WeakPolarHBondContact CB-OG1 3.41Å; C55-C69 WeakPolarHBondContact CA-SG 3.39Å; C55-C69 HydrophobicContact CB-CB 3.85Å; C55-C69 WeakPolarHBondContact CB-SG 3.43Å; C55-C69 WeakPolarHBondContact SG-CB 3.48Å; C55-C69 CovalentContact SG-SG 2.05Å; C55-C69 PolarHBondContact SG-SG 2.89Å; C55-A87 HydrophobicContact CB-CB 4.33Å |
| 56 | L | 95.3 | Very high | 93.3 | Very high | 122 Ų | 122 | 64 Ų | 64 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 157.6 | 177.8 | -67.5 | 172.8 | 0 | 0 | 0 | 110.6 | P54 G58 T59 | P54-L56 PolarHBondContact O-N 2.92Å; L56-G58 PolarHBondContact O-N 3.22Å; L56-T59 PolarHBondContact N-OG1 3.42Å; L56-T59 VanDerWaalsContact N-OG1 3.14Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 PolarHBondContact O-OG1 2.84Å |
| 57 | P | 94.1 | Very high | 93.5 | Very high | 133 Ų | 133 | 68.4 Ų | 68.4 | 86% | 0.864 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.4 | 175.1 | -25.6 | 34.5 | 0 | 0 | 0 | 111.8 | ||
| 58 | G | 92.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 7.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L56 C72 | L56-G58 PolarHBondContact O-N 3.22Å; G58-C72 PolarHBondContact O-N 2.89Å; G58-C72 PolarHBondContact O-SG 3.4Å |
| 59 | T | 95.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.3 | 170.4 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | C55 L56 L70 C72 | C55-T59 WeakPolarHBondContact CB-OG1 3.41Å; L56-T59 PolarHBondContact N-OG1 3.42Å; L56-T59 VanDerWaalsContact N-OG1 3.14Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 PolarHBondContact O-OG1 2.84Å; T59-L70 CarbonylContact C-O 3.51Å; T59-L70 WeakPolarHBondContact CA-O 3.16Å; T59-L70 VanDerWaalsContact CB-O 3.26Å; T59-L70 WeakPolarHBondContact CB-O 3.28Å; T59-C72 PolarHBondContact N-SG 2.86Å; T59-C72 VanDerWaalsContact N-SG 3.39Å |
| 60 | F | 96.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 8% | 0.083 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 160.8 | -179.4 | 77.8 | -78.3 | 0 | 0 | 0 | 113.1 | P62 L70 S86 A87 D90 | F60-P62 HydrophobicContact CD2-CB 4.23Å; F60-P62 HydrophobicContact CD2-CG 4.29Å; F60-P62 HydrophobicContact CE2-CB 4.07Å; F60-P62 HydrophobicContact CE2-CG 3.89Å; F60-L70 HydrophobicContact CD1-CB 4.21Å; F60-L70 HydrophobicContact CE1-CB 3.86Å; F60-L70 HydrophobicContact CE2-CD1 4.4Å; F60-L70 HydrophobicContact CZ-CB 4.14Å; F60-L70 HydrophobicContact CZ-CD1 4.14Å; F60-L70 PolarHBondContact N-O 2.85Å; F60-L70 PolarHBondContact O-N 3.35Å; F60-S86 WeakPolarHBondContact CB-O 3.2Å; F60-A87 CarbonylContact C-O 3.5Å; F60-A87 WeakPolarHBondContact CA-O 3.48Å; F60-D90 HydrophobicContact CD1-CB 4.06Å; F60-D90 HydrophobicContact CD2-CB 4.28Å; F60-D90 HydrophobicContact CE1-CB 3.54Å; F60-D90 WeakPolarHBondContact CE1-OD1 3.32Å; F60-D90 HydrophobicContact CE2-CB 3.79Å; F60-D90 HydrophobicContact CG-CB 4.42Å; F60-D90 HydrophobicContact CZ-CB 3.4Å; F60-D90 VanDerWaalsContact CZ-CB 3.4Å |
| 61 | S | 96.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | trans | -138.1 | 106.2 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | G38 Y39 S63 A87 | G38-S61 PolarHBondContact N-O 2.82Å; G38-S61 VanDerWaalsContact N-O 3.07Å; Y39-S61 WeakPolarHBondContact O-CB 3.03Å; Y39-S61 PolarHBondContact O-OG 3.49Å; S61-S63 PolarHBondContact OG-O 3.39Å; S61-A87 PolarHBondContact N-O 3.34Å | ||
| 62 | P | 94.9 | Very high | 94.7 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | trans | -83 | -21.2 | -168.3 | 32.3 | -35.5 | 0 | 0 | 0 | 114.4 | F60 T88 | F60-P62 HydrophobicContact CD2-CB 4.23Å; F60-P62 HydrophobicContact CD2-CG 4.29Å; F60-P62 HydrophobicContact CE2-CB 4.07Å; F60-P62 HydrophobicContact CE2-CG 3.89Å; P62-T88 WeakPolarHBondContact CA-O 3.32Å | ||
| 63 | S | 93.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 66.1 Ų | 66.1 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -138.3 | 157.5 | -175.4 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | S61 G65 | S61-S63 PolarHBondContact OG-O 3.39Å; S63-G65 PolarHBondContact O-N 2.83Å |
| 64 | E | 93.8 | Very high | 94.1 | Very high | 137 Ų | 137 | 69 Ų | 69 | 64% | 0.64 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -63.1 | 134.1 | 169.2 | 61.4 | -177.2 | 171 | 0 | 0 | 110.8 | L34 C35 | L34-E64 HydrophobicContact CB-CB 4.46Å; L34-E64 HydrophobicContact CD1-CG 4.25Å; C35-E64 CarbonylContact O-C 3.57Å; C35-E64 WeakPolarHBondContact O-CA 3.32Å |
| 65 | G | 91.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 66.5 Ų | 66.5 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -172.3 | -179.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C35 S63 | C35-G65 WeakPolarHBondContact CB-O 3.38Å; C35-G65 PolarHBondContact N-O 3.17Å; C35-G65 PolarHBondContact O-N 2.86Å; S63-G65 PolarHBondContact O-N 2.83Å |
| 66 | L | 91.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 67.6 Ų | 67.6 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -111.5 | 20.3 | 171.4 | -65.5 | 178.8 | 0 | 0 | 0 | 111.2 | K24 N33 L34 L41 T50 | K24-L66 HydrophobicContact CB-CD1 4.44Å; K24-L66 HydrophobicContact CD-CD1 3.8Å; K24-L66 HydrophobicContact CG-CD1 4.22Å; N33-L66 VanDerWaalsContact O-CD2 3.29Å; N33-L66 WeakPolarHBondContact O-CD2 3.16Å; L34-L66 HydrophobicContact CD2-CD2 4.15Å; L34-L66 HydrophobicContact CD2-CG 3.8Å; L41-L66 VanDerWaalsContact CD2-O 3.27Å; L41-L66 WeakPolarHBondContact CD2-O 3.27Å; T50-L66 HydrophobicContact CG2-CD2 3.59Å |
| 67 | D | 92.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 67.5 Ų | 67.5 | 62% | 0.62 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 152.3 | 179.5 | -60.8 | -57.5 | 0 | 0 | 0 | 110.5 | L41 | L41-D67 PolarHBondContact N-O 3.42Š|
| 68 | F | 94.6 | Very high | 90.7 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 158.7 | 170.2 | -65.3 | -89.7 | 0 | 0 | 0 | 109.9 | L41 L70 | L41-F68 HydrophobicContact CB-CD1 4.11Å; L41-F68 HydrophobicContact CB-CE1 4.16Å; L41-F68 HydrophobicContact CB-CG 4.27Å; L41-F68 HydrophobicContact CB-CZ 4.4Å; L41-F68 HydrophobicContact CD2-CD2 4.48Å; L41-F68 HydrophobicContact CD2-CE1 4.34Å; L41-F68 HydrophobicContact CD2-CE2 3.88Å; L41-F68 HydrophobicContact CD2-CZ 3.8Å; L41-F68 HydrophobicContact CG-CE1 4.23Å; L41-F68 HydrophobicContact CG-CZ 4.18Å; L41-F68 WeakPolarHBondContact O-CD1 3.18Å; L41-F68 VanDerWaalsContact O-CE1 3.31Å; L41-F68 WeakPolarHBondContact O-CE1 3.38Å; F68-L70 PolarHBondContact O-N 3.47Å |
| 69 | C | 95.7 | Very high | 90 | Very high | 31 Ų | 31 | 63 Ų | 63 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 131.3 | 173.4 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | G40 C55 | G40-C69 VanDerWaalsContact CA-SG 3.51Å; G40-C69 PolarHBondContact N-SG 2.79Å; G40-C69 VanDerWaalsContact N-SG 3.38Å; C55-C69 WeakPolarHBondContact CA-SG 3.39Å; C55-C69 HydrophobicContact CB-CB 3.85Å; C55-C69 WeakPolarHBondContact CB-SG 3.43Å; C55-C69 WeakPolarHBondContact SG-CB 3.48Å; C55-C69 CovalentContact SG-SG 2.05Å; C55-C69 PolarHBondContact SG-SG 2.89Å |
| 70 | L | 95.7 | Very high | 89.3 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 141.6 | -179.7 | -63.5 | 169.7 | 0 | 0 | 0 | 109.7 | T59 F60 F68 | T59-L70 CarbonylContact C-O 3.51Å; T59-L70 WeakPolarHBondContact CA-O 3.16Å; T59-L70 VanDerWaalsContact CB-O 3.26Å; T59-L70 WeakPolarHBondContact CB-O 3.28Å; F60-L70 HydrophobicContact CD1-CB 4.21Å; F60-L70 HydrophobicContact CE1-CB 3.86Å; F60-L70 HydrophobicContact CE2-CD1 4.4Å; F60-L70 HydrophobicContact CZ-CB 4.14Å; F60-L70 HydrophobicContact CZ-CD1 4.14Å; F60-L70 PolarHBondContact N-O 2.85Å; F60-L70 PolarHBondContact O-N 3.35Å; F68-L70 PolarHBondContact O-N 3.47Å |
| 71 | P | 95.9 | Very high | 88.8 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.1 | 172.8 | 29.3 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 72 | C | 94.6 | Very high | 88.2 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 142.3 | 174.8 | -52.7 | 0 | 0 | 0 | 0 | 111 | G58 T59 C85 D90 | G58-C72 PolarHBondContact O-N 2.89Å; G58-C72 PolarHBondContact O-SG 3.4Å; T59-C72 PolarHBondContact N-SG 2.86Å; T59-C72 VanDerWaalsContact N-SG 3.39Å; C72-C85 HydrophobicContact CB-CB 3.51Å; C72-C85 WeakPolarHBondContact CB-SG 3.32Å; C72-C85 WeakPolarHBondContact SG-CB 3.05Å; C72-C85 CovalentContact SG-SG 2Å; C72-C85 PolarHBondContact SG-SG 3.35Å; C72-D90 VanDerWaalsContact CA-OD1 3.23Å; C72-D90 WeakPolarHBondContact CA-OD1 3.16Å |
| 73 | S | 90.8 | Very high | 87.8 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 148.6 | 169.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | D90 T91 | S73-D90 WeakPolarHBondContact CB-OD2 3.25Å; S73-D90 PolarHBondContact N-OD1 2.95Å; S73-D90 PolarHBondContact OG-OD2 3.25Å; S73-T91 WeakPolarHBondContact O-CB 3.32Å; S73-T91 PolarHBondContact O-OG1 2.05Å |
| 74 | T | 88.1 | Confident | 87.8 | Confident | 128 Ų | 128 | 72 Ų | 72 | 79% | 0.785 | 43% | 0.432 | S | S | * | . | trans | -111.2 | 135 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 75 | C | 84.6 | Confident | 87.8 | Confident | 27 Ų | 27 | 67 Ų | 67 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -66 | 134.2 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | C93 | C75-C93 WeakPolarHBondContact CA-SG 3.31Å; C75-C93 HydrophobicContact CB-CB 3.85Å; C75-C93 WeakPolarHBondContact CB-SG 3.33Å; C75-C93 WeakPolarHBondContact SG-CB 3.35Å; C75-C93 CovalentContact SG-SG 2.04Å; C75-C93 PolarHBondContact SG-SG 3.41Å |
| 76 | P | 80.5 | Confident | 87.9 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 25% | 0.253 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 156.6 | 174.7 | -25.3 | 35.4 | 0 | 0 | 0 | 112.3 | G78 V79 F101 | P76-G78 PolarHBondContact O-N 2.9Å; P76-V79 HydrophobicContact CB-CG2 4.08Å; P76-V79 HydrophobicContact CG-CG2 4.42Å; P76-V79 PolarHBondContact O-N 3.48Å; P76-V79 VanDerWaalsContact O-N 3.07Å; P76-F101 HydrophobicContact CB-CE2 3.88Å; P76-F101 HydrophobicContact CB-CZ 4.08Å; P76-F101 HydrophobicContact CG-CE2 3.66Å; P76-F101 HydrophobicContact CG-CZ 3.53Å |
| 77 | P | 74.7 | Confident | 88 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 77% | 0.773 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 125.2 | 178.4 | -21.9 | 32.4 | 0 | 0 | 0 | 111.6 | ||
| 78 | G | 70.9 | Confident | 88.2 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 75% | 0.753 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 5.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P76 | P76-G78 PolarHBondContact O-N 2.9Š|
| 79 | V | 76.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.085 | 42% | 0.417 | C | S | . | . | trans | -104.4 | 121.5 | 168.8 | -172 | 0 | 0 | 0 | 0 | 108.8 | P76 C93 F101 | P76-V79 HydrophobicContact CB-CG2 4.08Å; P76-V79 HydrophobicContact CG-CG2 4.42Å; P76-V79 PolarHBondContact O-N 3.48Å; P76-V79 VanDerWaalsContact O-N 3.07Å; V79-C93 HydrophobicContact CG1-CB 3.98Å; V79-F101 HydrophobicContact CG2-CD2 3.63Å; V79-F101 HydrophobicContact CG2-CE2 3.68Å | ||
| 80 | P | 81.8 | Confident | 88 | Confident | 60 Ų | 60 | 66 Ų | 66 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | trans | -68.9 | 144.9 | 178.3 | 26.4 | -29.4 | 0 | 0 | 0 | 111.2 | L82 E94 | P80-L82 PolarHBondContact O-N 2.91Å; P80-E94 WeakPolarHBondContact CD-O 3.38Å; P80-E94 WeakPolarHBondContact CG-O 3.18Å; P80-E94 PolarHBondContact O-N 2.87Å | ||
| 81 | M | 85.8 | Confident | 87.8 | Confident | 108 Ų | 108 | 63 Ų | 63 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.7 | 171.8 | -175.4 | -178.7 | 75.4 | 0 | 0 | 108.5 | T91 | M81-T91 HydrophobicContact CG-CG2 3.69Å; M81-T91 HydrophobicContact SD-CG2 3.82Å |
| 82 | L | 84.6 | Confident | 87.4 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 53% | 0.534 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -43.5 | 177.5 | -177.5 | 66.3 | 0 | 0 | 0 | 111.1 | P80 Q92 E94 | P80-L82 PolarHBondContact O-N 2.91Å; L82-Q92 HydrophobicContact CD2-CG 4.48Å; L82-Q92 PolarHBondContact N-O 2.88Å; L82-E94 HydrophobicContact CB-CB 4.19Å; L82-E94 HydrophobicContact CD2-CB 4.06Å; L82-E94 WeakPolarHBondContact CD2-OE2 3.18Å |
| 83 | T | 86.9 | Confident | 87 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 31% | 0.307 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 127.4 | 179.3 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | Q92 | T83-Q92 PolarHBondContact N-O 3.47Å; T83-Q92 PolarHBondContact O-N 3.44Å |
| 84 | S | 92 | Very high | 86.6 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | trans | -68.5 | 145.8 | 175.5 | 58 | 0 | 0 | 0 | 0 | 111 | S86 | S84-S86 PolarHBondContact O-N 3.41Š| ||
| 85 | C | 93.9 | Very high | 86.4 | Confident | 34 Ų | 34 | 57 Ų | 57 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | trans | -55.7 | 141.2 | 173 | -162.3 | 0 | 0 | 0 | 0 | 112.3 | C72 Q89 T91 | C72-C85 HydrophobicContact CB-CB 3.51Å; C72-C85 WeakPolarHBondContact CB-SG 3.32Å; C72-C85 WeakPolarHBondContact SG-CB 3.05Å; C72-C85 CovalentContact SG-SG 2Å; C72-C85 PolarHBondContact SG-SG 3.35Å; C85-Q89 PolarHBondContact SG-O 3.35Å; C85-T91 WeakPolarHBondContact CB-OG1 3.05Å | ||
| 86 | S | 94.6 | Very high | 86.2 | Confident | 48 Ų | 48 | 61 Ų | 61 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -129.7 | 169.8 | 173.9 | 68.6 | 0 | 0 | 0 | 0 | 109.5 | F60 S84 T88 Q89 | F60-S86 WeakPolarHBondContact CB-O 3.2Å; S84-S86 PolarHBondContact O-N 3.41Å; S86-T88 PolarHBondContact O-N 2.91Å; S86-T88 PolarHBondContact OG-OG1 3.46Å; S86-Q89 PolarHBondContact N-O 2.93Å; S86-Q89 PolarHBondContact O-N 2.95Å; S86-Q89 WeakPolarHBondContact OG-CB 3.43Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 VanDerWaalsContact OG-N 3.16Å |
| 87 | A | 94.2 | Very high | 86.3 | Confident | 43 Ų | 43 | 66 Ų | 66 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | G38 C55 F60 S61 | G38-A87 VanDerWaalsContact CA-O 3.29Å; G38-A87 WeakPolarHBondContact CA-O 3.29Å; C55-A87 HydrophobicContact CB-CB 4.33Å; F60-A87 CarbonylContact C-O 3.5Å; F60-A87 WeakPolarHBondContact CA-O 3.48Å; S61-A87 PolarHBondContact N-O 3.34Å |
| 88 | T | 95 | Very high | 86.8 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -9.6 | -176.3 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | V37 P62 S86 | V37-T88 HydrophobicContact CB-CG2 4.15Å; V37-T88 HydrophobicContact CG2-CG2 4.12Å; P62-T88 WeakPolarHBondContact CA-O 3.32Å; S86-T88 PolarHBondContact O-N 2.91Å; S86-T88 PolarHBondContact OG-OG1 3.46Å |
| 89 | Q | 93.3 | Very high | 87.5 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -144.8 | 136.8 | -172.4 | -169.1 | -176.9 | 13.2 | 0 | 0 | 110.8 | C85 S86 | C85-Q89 PolarHBondContact SG-O 3.35Å; S86-Q89 PolarHBondContact N-O 2.93Å; S86-Q89 PolarHBondContact O-N 2.95Å; S86-Q89 WeakPolarHBondContact OG-CB 3.43Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 VanDerWaalsContact OG-N 3.16Å |
| 90 | D | 93.8 | Very high | 88.1 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 164.4 | 174 | -156.3 | -0.4 | 0 | 0 | 0 | 112.3 | F60 C72 S73 Q92 | F60-D90 HydrophobicContact CD1-CB 4.06Å; F60-D90 HydrophobicContact CD2-CB 4.28Å; F60-D90 HydrophobicContact CE1-CB 3.54Å; F60-D90 WeakPolarHBondContact CE1-OD1 3.32Å; F60-D90 HydrophobicContact CE2-CB 3.79Å; F60-D90 HydrophobicContact CG-CB 4.42Å; F60-D90 HydrophobicContact CZ-CB 3.4Å; F60-D90 VanDerWaalsContact CZ-CB 3.4Å; C72-D90 VanDerWaalsContact CA-OD1 3.23Å; C72-D90 WeakPolarHBondContact CA-OD1 3.16Å; S73-D90 WeakPolarHBondContact CB-OD2 3.25Å; S73-D90 PolarHBondContact N-OD1 2.95Å; S73-D90 PolarHBondContact OG-OD2 3.25Å; D90-Q92 PolarHBondContact O-N 3.26Å |
| 91 | T | 90.9 | Very high | 88.2 | Confident | 21 Ų | 21 | 65 Ų | 65 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.4 | 165 | -51.5 | 0 | 0 | 0 | 0 | 110 | S73 M81 C85 | S73-T91 WeakPolarHBondContact O-CB 3.32Å; S73-T91 PolarHBondContact O-OG1 2.05Å; M81-T91 HydrophobicContact CG-CG2 3.69Å; M81-T91 HydrophobicContact SD-CG2 3.82Å; C85-T91 WeakPolarHBondContact CB-OG1 3.05Å |
| 92 | Q | 87.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.5 | 172.7 | -170.3 | 169.4 | -4.9 | 0 | 0 | 109.9 | L82 T83 D90 | L82-Q92 HydrophobicContact CD2-CG 4.48Å; L82-Q92 PolarHBondContact N-O 2.88Å; T83-Q92 PolarHBondContact N-O 3.47Å; T83-Q92 PolarHBondContact O-N 3.44Å; D90-Q92 PolarHBondContact O-N 3.26Å |
| 93 | C | 86.1 | Confident | 88 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.6 | 176.5 | -48.2 | 0 | 0 | 0 | 0 | 108.3 | C75 V79 | C75-C93 WeakPolarHBondContact CA-SG 3.31Å; C75-C93 HydrophobicContact CB-CB 3.85Å; C75-C93 WeakPolarHBondContact CB-SG 3.33Å; C75-C93 WeakPolarHBondContact SG-CB 3.35Å; C75-C93 CovalentContact SG-SG 2.04Å; C75-C93 PolarHBondContact SG-SG 3.41Å; V79-C93 HydrophobicContact CG1-CB 3.98Å |
| 94 | E | 81.9 | Confident | 87.7 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | trans | -139.5 | 140.7 | 179.9 | -168.8 | 160.7 | 171.6 | 0 | 0 | 108.7 | P80 L82 L126 | P80-E94 WeakPolarHBondContact CD-O 3.38Å; P80-E94 WeakPolarHBondContact CG-O 3.18Å; P80-E94 PolarHBondContact O-N 2.87Å; L82-E94 HydrophobicContact CB-CB 4.19Å; L82-E94 HydrophobicContact CD2-CB 4.06Å; L82-E94 WeakPolarHBondContact CD2-OE2 3.18Å; E94-L126 HydrophobicContact CB-CD2 4.26Å; E94-L126 HydrophobicContact CG-CD2 3.93Å | ||
| 95 | C | 84.3 | Confident | 87.2 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.101 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 154.9 | 171.5 | -66.5 | 0 | 0 | 0 | 0 | 109.4 | F99 Y100 C108 | C95-F99 HydrophobicContact CB-CB 3.66Å; C95-Y100 VanDerWaalsContact SG-C 3.58Å; C95-C108 VanDerWaalsContact CA-SG 3.54Å; C95-C108 HydrophobicContact CB-CB 3.77Å; C95-C108 WeakPolarHBondContact CB-SG 3.36Å; C95-C108 VanDerWaalsContact SG-CA 3.59Å; C95-C108 WeakPolarHBondContact SG-CB 3.44Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 2.85Å |
| 96 | D | 80.8 | Confident | 86.4 | Confident | 109 Ų | 109 | 64.6 Ų | 64.6 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 157.6 | 175.5 | -67.5 | -38.7 | 0 | 0 | 0 | 111.6 | G98 F99 | D96-G98 PolarHBondContact O-N 3.32Å; D96-G98 VanDerWaalsContact O-N 3.16Å; D96-F99 HydrophobicContact CB-CD2 4.13Å; D96-F99 WeakPolarHBondContact O-CB 3.31Å; D96-F99 PolarHBondContact O-N 2.87Å |
| 97 | T | 82.8 | Confident | 85.9 | Confident | 144 Ų | 144 | 65.9 Ų | 65.9 | 88% | 0.883 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 124.2 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 98 | G | 84.1 | Confident | 85.5 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 11 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D96 C111 | D96-G98 PolarHBondContact O-N 3.32Å; D96-G98 VanDerWaalsContact O-N 3.16Å; G98-C111 PolarHBondContact O-N 2.96Å; G98-C111 PolarHBondContact O-SG 2.95Å |
| 99 | F | 87.1 | Confident | 85.2 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152 | 171.7 | -65.7 | -101.3 | 0 | 0 | 0 | 111.6 | C95 D96 C108 A109 P110 C111 | C95-F99 HydrophobicContact CB-CB 3.66Å; D96-F99 HydrophobicContact CB-CD2 4.13Å; D96-F99 WeakPolarHBondContact O-CB 3.31Å; D96-F99 PolarHBondContact O-N 2.87Å; F99-C108 HydrophobicContact CB-CB 4.19Å; F99-C108 HydrophobicContact CD1-CB 4.46Å; F99-A109 CarbonylContact C-O 3.5Å; F99-A109 WeakPolarHBondContact CA-O 3.42Å; F99-A109 WeakPolarHBondContact CB-O 3.5Å; F99-A109 VanDerWaalsContact CD1-C 3.45Å; F99-P110 HydrophobicContact CD1-CB 4.26Å; F99-P110 HydrophobicContact CE1-CB 4.05Å; F99-C111 PolarHBondContact N-SG 2.79Å; F99-C111 VanDerWaalsContact N-SG 3.41Å |
| 100 | Y | 87.5 | Confident | 85 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 157.4 | 170 | 70.2 | -77.7 | 0 | 0 | 0 | 111.5 | C95 V102 C108 A109 P110 D129 | C95-Y100 VanDerWaalsContact SG-C 3.58Å; Y100-V102 HydrophobicContact CD2-CG2 4.14Å; Y100-V102 HydrophobicContact CE2-CG2 3.52Å; Y100-C108 CarbonylContact O-C 3.45Å; Y100-C108 WeakPolarHBondContact O-CA 3.37Å; Y100-A109 HydrophobicContact CD1-CB 4.42Å; Y100-A109 WeakPolarHBondContact CD1-O 3.34Å; Y100-A109 HydrophobicContact CE1-CB 3.89Å; Y100-A109 PolarHBondContact N-O 2.87Å; Y100-A109 PolarHBondContact O-N 3.1Å; Y100-P110 WeakPolarHBondContact CE1-O 3.02Å; Y100-D129 HydrophobicContact CD1-CB 3.82Å; Y100-D129 HydrophobicContact CD2-CB 3.99Å; Y100-D129 VanDerWaalsContact CD2-N 3.28Å; Y100-D129 HydrophobicContact CE1-CB 3.54Å; Y100-D129 WeakPolarHBondContact CE1-OD1 3.48Å; Y100-D129 HydrophobicContact CE2-CB 3.71Å; Y100-D129 HydrophobicContact CG-CB 4.04Å; Y100-D129 VanDerWaalsContact CZ-CB 3.48Å |
| 101 | F | 85.7 | Confident | 84.8 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.5 | 178.8 | -178.2 | -112.2 | 0 | 0 | 0 | 111.7 | P76 V79 | P76-F101 HydrophobicContact CB-CE2 3.88Å; P76-F101 HydrophobicContact CB-CZ 4.08Å; P76-F101 HydrophobicContact CG-CE2 3.66Å; P76-F101 HydrophobicContact CG-CZ 3.53Å; V79-F101 HydrophobicContact CG2-CD2 3.63Å; V79-F101 HydrophobicContact CG2-CE2 3.68Å |
| 102 | V | 85.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 96.3 | 174.7 | -175 | 0 | 0 | 0 | 0 | 109.3 | Y100 G104 L105 G106 L107 A109 | Y100-V102 HydrophobicContact CD2-CG2 4.14Å; Y100-V102 HydrophobicContact CE2-CG2 3.52Å; V102-G104 PolarHBondContact O-N 3.38Å; V102-G104 VanDerWaalsContact O-N 3.11Å; V102-L105 HydrophobicContact CB-CB 4.45Å; V102-L105 HydrophobicContact CG1-CB 4.12Å; V102-L105 HydrophobicContact CG1-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CG 4.18Å; V102-L105 PolarHBondContact O-N 3.03Å; V102-G106 PolarHBondContact O-N 2.81Å; V102-L107 HydrophobicContact CG2-CD1 4.49Å; V102-L107 PolarHBondContact N-O 2.87Å; V102-A109 HydrophobicContact CG2-CB 3.51Å |
| 103 | S | 80.6 | Confident | 85 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.6 | -175 | -47.4 | 0 | 0 | 0 | 0 | 114.5 | L105 | S103-L105 VanDerWaalsContact C-N 3.33Š|
| 104 | G | 80.1 | Confident | 85.4 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V102 | V102-G104 PolarHBondContact O-N 3.38Å; V102-G104 VanDerWaalsContact O-N 3.11Å |
| 105 | L | 80.4 | Confident | 85.9 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 67% | 0.67 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -12.1 | -178.9 | -66.3 | 174.6 | 0 | 0 | 0 | 112.8 | V102 S103 L107 | V102-L105 HydrophobicContact CB-CB 4.45Å; V102-L105 HydrophobicContact CG1-CB 4.12Å; V102-L105 HydrophobicContact CG1-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CG 4.18Å; V102-L105 PolarHBondContact O-N 3.03Å; S103-L105 VanDerWaalsContact C-N 3.33Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 HydrophobicContact CB-CD1 4.5Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.68Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 PolarHBondContact O-N 3.48Å |
| 106 | G | 78.5 | Confident | 86.4 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 23.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | V102 | V102-G106 PolarHBondContact O-N 2.81Š|
| 107 | L | 83.6 | Confident | 87 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.3 | -174.1 | 61 | 85.4 | 0 | 0 | 0 | 112.4 | V102 L105 A109 | V102-L107 HydrophobicContact CG2-CD1 4.49Å; V102-L107 PolarHBondContact N-O 2.87Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 HydrophobicContact CB-CD1 4.5Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.68Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 PolarHBondContact O-N 3.48Å; L107-A109 HydrophobicContact CD1-CB 4.31Å |
| 108 | C | 86.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.1 | 171.3 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | C95 F99 Y100 | C95-C108 VanDerWaalsContact CA-SG 3.54Å; C95-C108 HydrophobicContact CB-CB 3.77Å; C95-C108 WeakPolarHBondContact CB-SG 3.36Å; C95-C108 VanDerWaalsContact SG-CA 3.59Å; C95-C108 WeakPolarHBondContact SG-CB 3.44Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 2.85Å; F99-C108 HydrophobicContact CB-CB 4.19Å; F99-C108 HydrophobicContact CD1-CB 4.46Å; Y100-C108 CarbonylContact O-C 3.45Å; Y100-C108 WeakPolarHBondContact O-CA 3.37Å |
| 109 | A | 87.1 | Confident | 88 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 148.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F99 Y100 V102 L107 | F99-A109 CarbonylContact C-O 3.5Å; F99-A109 WeakPolarHBondContact CA-O 3.42Å; F99-A109 WeakPolarHBondContact CB-O 3.5Å; F99-A109 VanDerWaalsContact CD1-C 3.45Å; Y100-A109 HydrophobicContact CD1-CB 4.42Å; Y100-A109 WeakPolarHBondContact CD1-O 3.34Å; Y100-A109 HydrophobicContact CE1-CB 3.89Å; Y100-A109 PolarHBondContact N-O 2.87Å; Y100-A109 PolarHBondContact O-N 3.1Å; V102-A109 HydrophobicContact CG2-CB 3.51Å; L107-A109 HydrophobicContact CD1-CB 4.31Å |
| 110 | P | 89.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 141.7 | 178.1 | 27.3 | -34.4 | 0 | 0 | 0 | 110.6 | F99 Y100 S112 | F99-P110 HydrophobicContact CD1-CB 4.26Å; F99-P110 HydrophobicContact CE1-CB 4.05Å; Y100-P110 WeakPolarHBondContact CE1-O 3.02Å; P110-S112 PolarHBondContact O-N 2.92Å |
| 111 | C | 90.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 61 Ų | 61 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64 | 132.7 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | G98 F99 C124 D129 | G98-C111 PolarHBondContact O-N 2.96Å; G98-C111 PolarHBondContact O-SG 2.95Å; F99-C111 PolarHBondContact N-SG 2.79Å; F99-C111 VanDerWaalsContact N-SG 3.41Å; C111-C124 HydrophobicContact CB-CB 3.54Å; C111-C124 WeakPolarHBondContact CB-SG 3.27Å; C111-C124 WeakPolarHBondContact SG-CB 3.37Å; C111-C124 CovalentContact SG-SG 2Å; C111-C124 PolarHBondContact SG-SG 3.29Å; C111-D129 WeakPolarHBondContact CA-OD1 3.47Å |
| 112 | S | 91.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 150.5 | 168.6 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | P110 D129 T130 | P110-S112 PolarHBondContact O-N 2.92Å; S112-D129 WeakPolarHBondContact CB-OD1 3.25Å; S112-D129 WeakPolarHBondContact CB-OD2 3.37Å; S112-D129 PolarHBondContact N-OD1 2.92Å; S112-D129 PolarHBondContact OG-OD2 3.45Å; S112-T130 WeakPolarHBondContact O-CB 3.06Å; S112-T130 PolarHBondContact O-OG1 3.08Å |
| 113 | R | 91.4 | Very high | 89.1 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | trans | -121 | 145.9 | 177.2 | -60.6 | 174.2 | 90.7 | -176.5 | 10 | 108.4 | V145 | R113-V145 HydrophobicContact CB-CG1 3.33Å; R113-V145 HydrophobicContact CG-CG1 3.82Å; R113-V145 VanDerWaalsContact NE-CG1 3.34Å | ||
| 114 | C | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 134.4 | -173.3 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | H118 V120 C132 V145 S146 | C114-H118 HydrophobicContact CB-CB 4.24Å; C114-V120 VanDerWaalsContact SG-CG2 3.5Å; C114-C132 WeakPolarHBondContact CA-SG 3.32Å; C114-C132 HydrophobicContact CB-CB 3.87Å; C114-C132 WeakPolarHBondContact CB-SG 3.47Å; C114-C132 VanDerWaalsContact SG-CA 3.55Å; C114-C132 WeakPolarHBondContact SG-CB 3.27Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 2.86Å; C114-V145 CarbonylContact O-C 3.54Å; C114-V145 WeakPolarHBondContact O-CA 3.07Å; C114-S146 PolarHBondContact N-O 3.29Å; C114-S146 VanDerWaalsContact N-O 3.08Å; C114-S146 PolarHBondContact O-N 2.83Å |
| 115 | R | 93.8 | Very high | 89.6 | Confident | 193 Ų | 193 | 61.5 Ų | 61.5 | 73% | 0.728 | 32% | 0.322 | S | S | * | . | trans | -75.6 | 164 | 176.2 | -57.6 | -177.3 | -174.6 | -164 | -0.2 | 109.9 | G117 H118 | R115-G117 PolarHBondContact O-N 2.95Å; R115-H118 WeakPolarHBondContact O-CA 3.48Å; R115-H118 WeakPolarHBondContact O-CB 3.32Å; R115-H118 PolarHBondContact O-N 2.78Å | ||
| 116 | T | 94.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 137.5 | 168.7 | -27.8 | 0 | 0 | 0 | 0 | 110.9 | H118 S141 D144 N169 | T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 2.89Å; T116-H118 PolarHBondContact O-ND1 2.87Å; T116-S141 VanDerWaalsContact CG2-O 3.32Å; T116-S141 WeakPolarHBondContact CG2-O 3.41Å; T116-D144 WeakPolarHBondContact OG1-CA 3.41Å; T116-D144 PolarHBondContact OG1-OD1 3.32Å; T116-N169 HydrophobicContact CG2-CB 3.9Å |
| 117 | G | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -6.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R115 K134 C135 S141 H168 | R115-G117 PolarHBondContact O-N 2.95Å; G117-K134 WeakPolarHBondContact O-CA 3.25Å; G117-C135 PolarHBondContact O-N 2.67Å; G117-S141 PolarHBondContact N-O 3.39Å; G117-H168 VanDerWaalsContact CA-O 3.25Å; G117-H168 WeakPolarHBondContact CA-O 3.44Å |
| 118 | H | 95 | Very high | 89.2 | Confident | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.5 | -179.8 | -58.9 | 69 | 0 | 0 | 0 | 111.1 | C114 R115 T116 C132 Q133 K134 S141 | C114-H118 HydrophobicContact CB-CB 4.24Å; R115-H118 WeakPolarHBondContact O-CA 3.48Å; R115-H118 WeakPolarHBondContact O-CB 3.32Å; R115-H118 PolarHBondContact O-N 2.78Å; T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 2.89Å; T116-H118 PolarHBondContact O-ND1 2.87Å; H118-C132 HydrophobicContact CB-CB 4.29Å; H118-Q133 CarbonylContact C-O 3.37Å; H118-Q133 WeakPolarHBondContact CA-O 3.27Å; H118-Q133 WeakPolarHBondContact CB-O 3.31Å; H118-K134 PolarHBondContact CD2-N 3.33Å; H118-S141 WeakPolarHBondContact O-CB 2.9Å; H118-S141 PolarHBondContact O-OG 2.82Å |
| 119 | G | 94 | Very high | 89.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V121 C132 Q133 C150 | G119-V121 PolarHBondContact O-N 2.84Å; G119-C132 WeakPolarHBondContact O-CA 3.3Å; G119-Q133 PolarHBondContact N-O 3.42Å; G119-Q133 PolarHBondContact O-N 2.77Å; G119-C150 VanDerWaalsContact CA-SG 3.59Å; G119-C150 PolarHBondContact N-SG 3.19Å; G119-C150 VanDerWaalsContact N-SG 3.4Å |
| 120 | V | 94.5 | Very high | 89.7 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.7 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | C114 E123 T130 T147 K148 P149 | C114-V120 VanDerWaalsContact SG-CG2 3.5Å; V120-E123 HydrophobicContact CG1-CG 4.19Å; V120-T130 HydrophobicContact CB-CG2 4.49Å; V120-T130 HydrophobicContact CG1-CG2 3.99Å; V120-T130 HydrophobicContact CG2-CG2 3.9Å; V120-T147 VanDerWaalsContact CG2-C 3.46Å; V120-T147 WeakPolarHBondContact CG2-O 3.31Å; V120-K148 PolarHBondContact N-O 3.49Å; V120-P149 WeakPolarHBondContact O-CA 3.4Å |
| 121 | V | 93.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -37.8 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | G119 L131 Q133 | G119-V121 PolarHBondContact O-N 2.84Å; V121-L131 HydrophobicContact CB-CD2 4.29Å; V121-L131 HydrophobicContact CG1-CD2 4.31Å; V121-L131 PolarHBondContact N-O 3.19Å; V121-Q133 HydrophobicContact CG2-CB 3.37Å; V121-Q133 HydrophobicContact CG2-CG 4.42Å |
| 122 | R | 91.2 | Very high | 90.1 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128 | 174.2 | -171.6 | -178.3 | 56.7 | 69.9 | -4.9 | 108.9 | G128 D129 T130 L131 | R122-G128 PolarHBondContact NH1-O 3.41Å; R122-D129 PolarHBondContact NH1-O 3.42Å; R122-D129 PolarHBondContact NH2-O 2.85Å; R122-T130 WeakPolarHBondContact O-CA 3.18Å; R122-L131 HydrophobicContact CB-CB 3.8Å; R122-L131 PolarHBondContact N-O 3.36Å; R122-L131 PolarHBondContact O-N 2.81Å |
| 123 | E | 90.1 | Very high | 90.3 | Very high | 154 Ų | 154 | 68.5 Ų | 68.5 | 72% | 0.72 | 34% | 0.342 | S | S | * | . | trans | -67.4 | 153.5 | 174.1 | -63.1 | -177.8 | 171.5 | 0 | 0 | 111.1 | V120 | V120-E123 HydrophobicContact CG1-CG 4.19Š| ||
| 124 | C | 88.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -67.1 | 143 | 174.7 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | C111 T130 | C111-C124 HydrophobicContact CB-CB 3.54Å; C111-C124 WeakPolarHBondContact CB-SG 3.27Å; C111-C124 WeakPolarHBondContact SG-CB 3.37Å; C111-C124 CovalentContact SG-SG 2Å; C111-C124 PolarHBondContact SG-SG 3.29Å; C124-T130 WeakPolarHBondContact CB-OG1 3.48Å |
| 125 | G | 80.5 | Confident | 90.6 | Very high | 24 Ų | 24 | 67.5 Ų | 67.5 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | 168.8 | -144.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L127 G128 | G125-L127 PolarHBondContact O-N 3.17Å; G125-G128 PolarHBondContact N-O 3.27Å; G125-G128 VanDerWaalsContact N-O 3.09Å; G125-G128 PolarHBondContact O-N 3.3Å |
| 126 | L | 73.7 | Confident | 90.6 | Very high | 111 Ų | 111 | 60.1 Ų | 60.1 | 58% | 0.581 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.2 | -177.9 | -60.3 | 177.6 | 0 | 0 | 0 | 113.5 | E94 G128 | E94-L126 HydrophobicContact CB-CD2 4.26Å; E94-L126 HydrophobicContact CG-CD2 3.93Å; L126-G128 PolarHBondContact O-N 3.03Å |
| 127 | L | 76.1 | Confident | 90.6 | Very high | 150 Ų | 150 | 64.6 Ų | 64.6 | 79% | 0.785 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -3.2 | 179.7 | -62.6 | 175.5 | 0 | 0 | 0 | 113.1 | G125 | G125-L127 PolarHBondContact O-N 3.17Š|
| 128 | G | 85.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | 112.9 | -166.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R122 G125 L126 | R122-G128 PolarHBondContact NH1-O 3.41Å; G125-G128 PolarHBondContact N-O 3.27Å; G125-G128 VanDerWaalsContact N-O 3.09Å; G125-G128 PolarHBondContact O-N 3.3Å; L126-G128 PolarHBondContact O-N 3.03Å |
| 129 | D | 91.7 | Very high | 90.6 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -57.6 | 163.4 | -173.3 | -157.9 | 2.1 | 0 | 0 | 0 | 114.1 | Y100 C111 S112 R122 L131 | Y100-D129 HydrophobicContact CD1-CB 3.82Å; Y100-D129 HydrophobicContact CD2-CB 3.99Å; Y100-D129 VanDerWaalsContact CD2-N 3.28Å; Y100-D129 HydrophobicContact CE1-CB 3.54Å; Y100-D129 WeakPolarHBondContact CE1-OD1 3.48Å; Y100-D129 HydrophobicContact CE2-CB 3.71Å; Y100-D129 HydrophobicContact CG-CB 4.04Å; Y100-D129 VanDerWaalsContact CZ-CB 3.48Å; C111-D129 WeakPolarHBondContact CA-OD1 3.47Å; S112-D129 WeakPolarHBondContact CB-OD1 3.25Å; S112-D129 WeakPolarHBondContact CB-OD2 3.37Å; S112-D129 PolarHBondContact N-OD1 2.92Å; S112-D129 PolarHBondContact OG-OD2 3.45Å; R122-D129 PolarHBondContact NH1-O 3.42Å; R122-D129 PolarHBondContact NH2-O 2.85Å; D129-L131 PolarHBondContact O-N 3.43Å |
| 130 | T | 92.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | trans | -54.9 | 128.3 | 168.4 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | S112 V120 R122 C124 | S112-T130 WeakPolarHBondContact O-CB 3.06Å; S112-T130 PolarHBondContact O-OG1 3.08Å; V120-T130 HydrophobicContact CB-CG2 4.49Å; V120-T130 HydrophobicContact CG1-CG2 3.99Å; V120-T130 HydrophobicContact CG2-CG2 3.9Å; R122-T130 WeakPolarHBondContact O-CA 3.18Å; C124-T130 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 131 | L | 94.2 | Very high | 90.7 | Very high | 92 Ų | 92 | 65.4 Ų | 65.4 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.7 | 173.1 | -169.2 | 77.9 | 0 | 0 | 0 | 109.5 | V121 R122 D129 | V121-L131 HydrophobicContact CB-CD2 4.29Å; V121-L131 HydrophobicContact CG1-CD2 4.31Å; V121-L131 PolarHBondContact N-O 3.19Å; R122-L131 HydrophobicContact CB-CB 3.8Å; R122-L131 PolarHBondContact N-O 3.36Å; R122-L131 PolarHBondContact O-N 2.81Å; D129-L131 PolarHBondContact O-N 3.43Å |
| 132 | C | 94.9 | Very high | 90.6 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.5 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | C114 H118 G119 | C114-C132 WeakPolarHBondContact CA-SG 3.32Å; C114-C132 HydrophobicContact CB-CB 3.87Å; C114-C132 WeakPolarHBondContact CB-SG 3.47Å; C114-C132 VanDerWaalsContact SG-CA 3.55Å; C114-C132 WeakPolarHBondContact SG-CB 3.27Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 2.86Å; H118-C132 HydrophobicContact CB-CB 4.29Å; G119-C132 WeakPolarHBondContact O-CA 3.3Å |
| 133 | Q | 94.9 | Very high | 90.3 | Very high | 121 Ų | 121 | 66.2 Ų | 66.2 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.7 | 174.2 | -176.9 | 178.2 | -20.7 | 0 | 0 | 110.5 | H118 G119 V121 C135 | H118-Q133 CarbonylContact C-O 3.37Å; H118-Q133 WeakPolarHBondContact CA-O 3.27Å; H118-Q133 WeakPolarHBondContact CB-O 3.31Å; G119-Q133 PolarHBondContact N-O 3.42Å; G119-Q133 PolarHBondContact O-N 2.77Å; V121-Q133 HydrophobicContact CG2-CB 3.37Å; V121-Q133 HydrophobicContact CG2-CG 4.42Å; Q133-C135 PolarHBondContact O-N 2.04Å |
| 134 | K | 95.1 | Very high | 89.5 | Confident | 124 Ų | 124 | 64.8 Ų | 64.8 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 133.8 | 174.2 | -173.1 | 176.6 | -178.9 | 177.6 | 0 | 110.3 | G117 H118 G136 | G117-K134 WeakPolarHBondContact O-CA 3.25Å; H118-K134 PolarHBondContact CD2-N 3.33Å; K134-G136 PolarHBondContact O-N 3.39Å |
| 135 | C | 95.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | trans | -64.6 | 133.9 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | G117 Q133 T139 C150 H168 | G117-C135 PolarHBondContact O-N 2.67Å; Q133-C135 PolarHBondContact O-N 2.04Å; C135-T139 WeakPolarHBondContact CB-O 3.19Å; C135-T139 WeakPolarHBondContact CB-OG1 3.46Å; C135-C150 WeakPolarHBondContact CA-SG 3.42Å; C135-C150 HydrophobicContact CB-CB 3.8Å; C135-C150 WeakPolarHBondContact CB-SG 3.15Å; C135-C150 WeakPolarHBondContact SG-CB 3.39Å; C135-C150 CovalentContact SG-SG 2.05Å; C135-C150 PolarHBondContact SG-SG 3.39Å; C135-H168 HydrophobicContact CB-CB 4.11Å | ||
| 136 | G | 94.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | trans | -80.9 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K134 G138 T139 | K134-G136 PolarHBondContact O-N 3.39Å; G136-G138 PolarHBondContact O-N 3.24Å; G136-T139 PolarHBondContact N-OG1 3.37Å; G136-T139 PolarHBondContact O-N 3.32Å; G136-T139 PolarHBondContact O-OG1 2.78Å | ||
| 137 | P | 93.5 | Very high | 89.4 | Confident | 140 Ų | 140 | 64.1 Ų | 64.1 | 91% | 0.909 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 135.1 | 176.5 | -21.7 | 32.6 | 0 | 0 | 0 | 111.5 | T139 | P137-T139 VanDerWaalsContact C-N 3.28Š|
| 138 | G | 92.4 | Very high | 90 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G136 C153 | G136-G138 PolarHBondContact O-N 3.24Å; G138-C153 VanDerWaalsContact CA-SG 3.55Å; G138-C153 PolarHBondContact O-N 3.09Å; G138-C153 PolarHBondContact O-SG 2.77Å |
| 139 | T | 95.3 | Very high | 90.4 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.5 | 172.7 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | C135 G136 P137 Q151 C153 | C135-T139 WeakPolarHBondContact CB-O 3.19Å; C135-T139 WeakPolarHBondContact CB-OG1 3.46Å; G136-T139 PolarHBondContact N-OG1 3.37Å; G136-T139 PolarHBondContact O-N 3.32Å; G136-T139 PolarHBondContact O-OG1 2.78Å; P137-T139 VanDerWaalsContact C-N 3.28Å; T139-Q151 CarbonylContact C-O 3.52Å; T139-Q151 WeakPolarHBondContact CA-O 3.42Å; T139-Q151 VanDerWaalsContact CB-O 3.25Å; T139-Q151 WeakPolarHBondContact CB-O 3.48Å; T139-C153 PolarHBondContact N-SG 3.01Å; T139-C153 VanDerWaalsContact N-SG 3.41Å |
| 140 | F | 94.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 65.3 Ų | 65.3 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 167.3 | -176.5 | 78.7 | -81.9 | 0 | 0 | 0 | 113.7 | E142 Q151 A152 C153 M167 H168 D171 | F140-E142 HydrophobicContact CD2-CG 3.81Å; F140-E142 HydrophobicContact CE2-CG 3.85Å; F140-Q151 HydrophobicContact CD1-CB 4.34Å; F140-Q151 HydrophobicContact CE1-CB 3.98Å; F140-Q151 HydrophobicContact CZ-CB 4.23Å; F140-Q151 PolarHBondContact N-O 3.19Å; F140-Q151 PolarHBondContact O-N 3.06Å; F140-A152 WeakPolarHBondContact CE1-O 3.08Å; F140-C153 HydrophobicContact CD1-CB 4.44Å; F140-M167 WeakPolarHBondContact CB-O 3.44Å; F140-H168 CarbonylContact C-O 3.56Å; F140-H168 WeakPolarHBondContact CA-O 3.01Å; F140-D171 HydrophobicContact CD1-CB 4.08Å; F140-D171 HydrophobicContact CD2-CB 4.12Å; F140-D171 HydrophobicContact CE1-CB 3.63Å; F140-D171 WeakPolarHBondContact CE1-OD1 3.47Å; F140-D171 HydrophobicContact CE2-CB 3.68Å; F140-D171 HydrophobicContact CG-CB 4.31Å; F140-D171 HydrophobicContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CG 3.46Å |
| 141 | S | 95.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | trans | -153.3 | 109.1 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | T116 G117 H118 H168 | T116-S141 VanDerWaalsContact CG2-O 3.32Å; T116-S141 WeakPolarHBondContact CG2-O 3.41Å; G117-S141 PolarHBondContact N-O 3.39Å; H118-S141 WeakPolarHBondContact O-CB 2.9Å; H118-S141 PolarHBondContact O-OG 2.82Å; S141-H168 PolarHBondContact N-O 3.48Å | ||
| 142 | E | 91.1 | Very high | 90.7 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | trans | -93 | -23.4 | -176.2 | -74.8 | 174.7 | -171.9 | 0 | 0 | 114.3 | F140 D144 N169 F170 D171 | F140-E142 HydrophobicContact CD2-CG 3.81Å; F140-E142 HydrophobicContact CE2-CG 3.85Å; E142-D144 PolarHBondContact O-N 3.41Å; E142-N169 VanDerWaalsContact CG-O 3.29Å; E142-N169 WeakPolarHBondContact CG-O 3.46Å; E142-F170 HydrophobicContact CG-CB 4.11Å; E142-F170 VanDerWaalsContact OE1-CA 3.24Å; E142-F170 WeakPolarHBondContact OE1-CA 3.32Å; E142-D171 PolarHBondContact OE1-N 3.28Å | ||
| 143 | E | 85.4 | Confident | 90.7 | Very high | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 39% | 0.385 | S | S | . | . | trans | -70.6 | 123.4 | -176.6 | -68.2 | 169 | -178.1 | 0 | 0 | 109.7 | V145 S146 K148 | E143-V145 PolarHBondContact O-N 2.81Å; E143-S146 PolarHBondContact O-N 3.33Å; E143-S146 WeakPolarHBondContact OE2-CB 3.2Å; E143-S146 PolarHBondContact OE2-OG 2.66Å; E143-K148 IonicContact OE1-NZ 2.81Å; E143-K148 PolarHBondContact OE1-NZ 3.42Å | ||
| 144 | D | 74.1 | Confident | 90.7 | Very high | 124 Ų | 124 | 63.1 Ų | 63.1 | 66% | 0.663 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.4 | 178.2 | -72.8 | -38 | 0 | 0 | 0 | 113.5 | T116 E142 | T116-D144 WeakPolarHBondContact OG1-CA 3.41Å; T116-D144 PolarHBondContact OG1-OD1 3.32Å; E142-D144 PolarHBondContact O-N 3.41Å |
| 145 | V | 79.5 | Confident | 90.6 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | 62.3 | -178.2 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | R113 C114 E143 | R113-V145 HydrophobicContact CB-CG1 3.33Å; R113-V145 HydrophobicContact CG-CG1 3.82Å; R113-V145 VanDerWaalsContact NE-CG1 3.34Å; C114-V145 CarbonylContact O-C 3.54Å; C114-V145 WeakPolarHBondContact O-CA 3.07Å; E143-V145 PolarHBondContact O-N 2.81Å |
| 146 | S | 77.1 | Confident | 90.5 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 138.2 | -176.7 | -155.6 | 0 | 0 | 0 | 0 | 112.8 | C114 E143 K148 | C114-S146 PolarHBondContact N-O 3.29Å; C114-S146 VanDerWaalsContact N-O 3.08Å; C114-S146 PolarHBondContact O-N 2.83Å; E143-S146 PolarHBondContact O-N 3.33Å; E143-S146 WeakPolarHBondContact OE2-CB 3.2Å; E143-S146 PolarHBondContact OE2-OG 2.66Å; S146-K148 PolarHBondContact OG-N 3.03Å |
| 147 | T | 83.9 | Confident | 90.3 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -102.7 | 5.5 | 166 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | V120 | V120-T147 VanDerWaalsContact CG2-C 3.46Å; V120-T147 WeakPolarHBondContact CG2-O 3.31Å | ||
| 148 | K | 89 | Confident | 90.1 | Very high | 93 Ų | 93 | 69 Ų | 69 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -99.7 | 155 | -176.2 | -64.4 | 172.2 | -172.3 | 155.9 | 0 | 110.9 | V120 E143 S146 | V120-K148 PolarHBondContact N-O 3.49Å; E143-K148 IonicContact OE1-NZ 2.81Å; E143-K148 PolarHBondContact OE1-NZ 3.42Å; S146-K148 PolarHBondContact OG-N 3.03Å |
| 149 | P | 93.6 | Very high | 89.9 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 166.4 | 165.1 | 29.7 | -35 | 0 | 0 | 0 | 110.9 | V120 Q151 | V120-P149 WeakPolarHBondContact O-CA 3.4Å; P149-Q151 PolarHBondContact O-N 3.37Å |
| 150 | C | 94.8 | Very high | 89.7 | Confident | 40 Ų | 40 | 73.4 Ų | 73.4 | 27% | 0.27 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 130.2 | 174.5 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | G119 C135 | G119-C150 VanDerWaalsContact CA-SG 3.59Å; G119-C150 PolarHBondContact N-SG 3.19Å; G119-C150 VanDerWaalsContact N-SG 3.4Å; C135-C150 WeakPolarHBondContact CA-SG 3.42Å; C135-C150 HydrophobicContact CB-CB 3.8Å; C135-C150 WeakPolarHBondContact CB-SG 3.15Å; C135-C150 WeakPolarHBondContact SG-CB 3.39Å; C135-C150 CovalentContact SG-SG 2.05Å; C135-C150 PolarHBondContact SG-SG 3.39Å |
| 151 | Q | 94.4 | Very high | 89.5 | Confident | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.4 | -177.7 | -61.6 | 178.8 | 23 | 0 | 0 | 109.7 | T139 F140 P149 | T139-Q151 CarbonylContact C-O 3.52Å; T139-Q151 WeakPolarHBondContact CA-O 3.42Å; T139-Q151 VanDerWaalsContact CB-O 3.25Å; T139-Q151 WeakPolarHBondContact CB-O 3.48Å; F140-Q151 HydrophobicContact CD1-CB 4.34Å; F140-Q151 HydrophobicContact CE1-CB 3.98Å; F140-Q151 HydrophobicContact CZ-CB 4.23Å; F140-Q151 PolarHBondContact N-O 3.19Å; F140-Q151 PolarHBondContact O-N 3.06Å; P149-Q151 PolarHBondContact O-N 3.37Å |
| 152 | A | 95.7 | Very high | 89.4 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F140 | F140-A152 WeakPolarHBondContact CE1-O 3.08Å |
| 153 | C | 95.1 | Very high | 89.5 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 16% | 0.162 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 142.8 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 111.3 | G138 T139 F140 C166 D171 | G138-C153 VanDerWaalsContact CA-SG 3.55Å; G138-C153 PolarHBondContact O-N 3.09Å; G138-C153 PolarHBondContact O-SG 2.77Å; T139-C153 PolarHBondContact N-SG 3.01Å; T139-C153 VanDerWaalsContact N-SG 3.41Å; F140-C153 HydrophobicContact CD1-CB 4.44Å; C153-C166 HydrophobicContact CB-CB 3.48Å; C153-C166 VanDerWaalsContact CB-CB 3.48Å; C153-C166 WeakPolarHBondContact CB-SG 3.05Å; C153-C166 WeakPolarHBondContact SG-CB 3.24Å; C153-C166 CovalentContact SG-SG 2Å; C153-C166 PolarHBondContact SG-SG 2.95Å; C153-D171 WeakPolarHBondContact CA-OD1 3.45Å |
| 154 | S | 93.8 | Very high | 89.8 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 146.4 | 168 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | D171 T172 | S154-D171 WeakPolarHBondContact CB-OD2 3.46Å; S154-D171 PolarHBondContact N-OD1 3.43Å; S154-D171 PolarHBondContact N-OD2 3.35Å; S154-D171 PolarHBondContact OG-OD2 2.67Å; S154-T172 WeakPolarHBondContact O-CB 3.34Å; S154-T172 PolarHBondContact O-OG1 3.41Å |
| 155 | Q | 93.8 | Very high | 90.7 | Very high | 187 Ų | 187 | 78.6 Ų | 78.6 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | trans | -111.2 | 131.5 | 173.1 | -69 | -178.3 | 2.2 | 0 | 0 | 108.4 | ||||
| 156 | C | 93.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 76.7 Ų | 76.7 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | trans | -67.5 | 140.7 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | E160 C174 | C156-E160 HydrophobicContact CB-CB 4.07Å; C156-C174 WeakPolarHBondContact CA-SG 3.44Å; C156-C174 HydrophobicContact CB-CB 3.81Å; C156-C174 WeakPolarHBondContact CB-SG 3.23Å; C156-C174 WeakPolarHBondContact SG-CB 3.35Å; C156-C174 CovalentContact SG-SG 2.04Å; C156-C174 PolarHBondContact SG-SG 2Å | ||
| 157 | S | 91.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 80.7 Ų | 80.7 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | trans | -74.9 | 168.2 | 174.4 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | D159 E160 | S157-D159 PolarHBondContact O-N 3.33Å; S157-D159 VanDerWaalsContact O-N 3.11Å; S157-E160 WeakPolarHBondContact CB-OE2 3.37Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-E160 VanDerWaalsContact OG-CD 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.4Å; S157-E160 PolarHBondContact OG-OE2 2.59Å | ||
| 158 | D | 88.1 | Confident | 92.6 | Very high | 152 Ų | 152 | 79.9 Ų | 79.9 | 81% | 0.813 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.5 | -179.5 | -70.3 | -35.3 | 0 | 0 | 0 | 113.5 | K177 | D158-K177 PolarHBondContact O-NZ 3.44Š|
| 159 | D | 88.9 | Confident | 92.9 | Very high | 124 Ų | 124 | 77.9 Ų | 77.9 | 66% | 0.663 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.6 | 178.1 | -69.6 | -43.4 | 0 | 0 | 0 | 113.4 | S157 K177 | S157-D159 PolarHBondContact O-N 3.33Å; S157-D159 VanDerWaalsContact O-N 3.11Å; D159-K177 VanDerWaalsContact O-CB 3.3Å; D159-K177 WeakPolarHBondContact O-CB 3.47Å; D159-K177 VanDerWaalsContact O-CG 3.28Å; D159-K177 WeakPolarHBondContact O-CG 3.13Å; D159-K177 PolarHBondContact O-N 3.3Å |
| 160 | E | 91.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 75.7 Ų | 75.7 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 157.9 | -178.7 | -68 | 167.1 | 137.2 | 0 | 0 | 111.5 | C156 S157 C174 M175 K177 | C156-E160 HydrophobicContact CB-CB 4.07Å; S157-E160 WeakPolarHBondContact CB-OE2 3.37Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-E160 VanDerWaalsContact OG-CD 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.4Å; S157-E160 PolarHBondContact OG-OE2 2.59Å; E160-C174 HydrophobicContact CB-CB 4.08Å; E160-C174 HydrophobicContact CG-CB 4.4Å; E160-M175 CarbonylContact C-O 3.56Å; E160-M175 WeakPolarHBondContact CA-O 3.16Å; E160-K177 WeakPolarHBondContact O-CE 3.29Å |
| 161 | V | 90.6 | Very high | 92.8 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.5 | 171.3 | -170 | 0 | 0 | 0 | 0 | 108.4 | I163 C174 M175 K177 | V161-I163 HydrophobicContact CB-CD1 4.48Å; V161-I163 PolarHBondContact O-N 3.31Å; V161-C174 WeakPolarHBondContact O-CA 3.43Å; V161-M175 PolarHBondContact N-O 2.97Å; V161-M175 PolarHBondContact O-N 3.4Å; V161-K177 HydrophobicContact CG2-CD 4.2Å; V161-K177 HydrophobicContact CG2-CG 3.41Å; V161-K177 VanDerWaalsContact CG2-CG 3.41Å |
| 162 | E | 92.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 72.6 Ų | 72.6 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 113.1 | 169.9 | -175.1 | 178.8 | 141.9 | 0 | 0 | 109.5 | S165 T172 | E162-S165 WeakPolarHBondContact OE1-CA 3.49Å; E162-S165 WeakPolarHBondContact OE1-CB 3.26Å; E162-S165 PolarHBondContact OE1-N 3.07Å; E162-T172 HydrophobicContact CG-CG2 3.74Å |
| 163 | I | 92.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 73.4 Ų | 73.4 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -33.7 | 175.9 | -54.9 | -55.6 | 0 | 0 | 0 | 110.2 | V161 L173 M175 | V161-I163 HydrophobicContact CB-CD1 4.48Å; V161-I163 PolarHBondContact O-N 3.31Å; I163-L173 HydrophobicContact CB-CD2 4.32Å; I163-L173 HydrophobicContact CB-CG 4.45Å; I163-L173 HydrophobicContact CG2-CD2 4.37Å; I163-L173 PolarHBondContact N-O 3.25Å; I163-M175 HydrophobicContact CD1-CB 3.91Å; I163-M175 HydrophobicContact CD1-CE 4.22Å; I163-M175 HydrophobicContact CG1-CB 3.55Å |
| 164 | Q | 92.6 | Very high | 92.7 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 126.5 | -179.3 | -162.2 | 177.1 | -4.1 | 0 | 0 | 110 | F170 T172 L173 | Q164-F170 VanDerWaalsContact CD-CE2 3.45Å; Q164-F170 HydrophobicContact CG-CE2 3.71Å; Q164-F170 HydrophobicContact CG-CZ 4.23Å; Q164-T172 WeakPolarHBondContact O-CA 3.5Å; Q164-L173 HydrophobicContact CB-CB 3.79Å; Q164-L173 PolarHBondContact N-O 3.22Å; Q164-L173 PolarHBondContact O-N 2.92Å |
| 165 | S | 93.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | trans | -71.9 | 143.3 | 177.3 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | E162 M167 F170 | E162-S165 WeakPolarHBondContact OE1-CA 3.49Å; E162-S165 WeakPolarHBondContact OE1-CB 3.26Å; E162-S165 PolarHBondContact OE1-N 3.07Å; S165-M167 PolarHBondContact O-N 3.19Å; S165-F170 WeakPolarHBondContact O-CE2 3.4Å | ||
| 166 | C | 94.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 71.3 Ų | 71.3 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | trans | -54.2 | 135.9 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 112.7 | C153 T172 | C153-C166 HydrophobicContact CB-CB 3.48Å; C153-C166 VanDerWaalsContact CB-CB 3.48Å; C153-C166 WeakPolarHBondContact CB-SG 3.05Å; C153-C166 WeakPolarHBondContact SG-CB 3.24Å; C153-C166 CovalentContact SG-SG 2Å; C153-C166 PolarHBondContact SG-SG 2.95Å; C166-T172 WeakPolarHBondContact CB-OG1 3.21Å | ||
| 167 | M | 92.9 | Very high | 92 | Very high | 86 Ų | 86 | 75.9 Ų | 75.9 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -124.7 | 163.7 | 170.8 | -69.6 | -169.6 | 54.9 | 0 | 0 | 109.8 | F140 S165 N169 F170 | F140-M167 WeakPolarHBondContact CB-O 3.44Å; S165-M167 PolarHBondContact O-N 3.19Å; M167-N169 WeakPolarHBondContact CB-OD1 3.42Å; M167-N169 PolarHBondContact O-N 3.24Å; M167-F170 HydrophobicContact CB-CD1 4.17Å; M167-F170 HydrophobicContact CB-CD2 4.35Å; M167-F170 HydrophobicContact CB-CE1 3.68Å; M167-F170 HydrophobicContact CB-CE2 3.85Å; M167-F170 HydrophobicContact CB-CG 4.48Å; M167-F170 HydrophobicContact CB-CZ 3.51Å; M167-F170 HydrophobicContact CE-CE1 4.47Å; M167-F170 HydrophobicContact CG-CE1 3.91Å; M167-F170 HydrophobicContact CG-CE2 3.81Å; M167-F170 HydrophobicContact CG-CZ 3.32Å; M167-F170 PolarHBondContact N-O 3.43Å; M167-F170 PolarHBondContact O-N 2.93Å; M167-F170 VanDerWaalsContact O-N 3.16Å; M167-F170 HydrophobicContact SD-CE1 3.61Å; M167-F170 HydrophobicContact SD-CE2 4.26Å; M167-F170 HydrophobicContact SD-CZ 3.23Å; M167-F170 WeakPolarHBondContact SD-CZ 3.48Å |
| 168 | H | 93.4 | Very high | 91.1 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 29% | 0.292 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -26.4 | 177.3 | 64.7 | -54.2 | 0 | 0 | 0 | 114.7 | G117 C135 F140 S141 | G117-H168 VanDerWaalsContact CA-O 3.25Å; G117-H168 WeakPolarHBondContact CA-O 3.44Å; C135-H168 HydrophobicContact CB-CB 4.11Å; F140-H168 CarbonylContact C-O 3.56Å; F140-H168 WeakPolarHBondContact CA-O 3.01Å; S141-H168 PolarHBondContact N-O 3.48Å |
| 169 | N | 93.8 | Very high | 89.7 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -4.2 | -174.8 | 62 | -52.8 | 0 | 0 | 0 | 115.2 | T116 E142 M167 | T116-N169 HydrophobicContact CG2-CB 3.9Å; E142-N169 VanDerWaalsContact CG-O 3.29Å; E142-N169 WeakPolarHBondContact CG-O 3.46Å; M167-N169 WeakPolarHBondContact CB-OD1 3.42Å; M167-N169 PolarHBondContact O-N 3.24Å |
| 170 | F | 92.6 | Very high | 88 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 17% | 0.171 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -159.1 | 152 | 176.2 | 58.4 | -99.4 | 0 | 0 | 0 | 112.2 | E142 Q164 S165 M167 | E142-F170 HydrophobicContact CG-CB 4.11Å; E142-F170 VanDerWaalsContact OE1-CA 3.24Å; E142-F170 WeakPolarHBondContact OE1-CA 3.32Å; Q164-F170 VanDerWaalsContact CD-CE2 3.45Å; Q164-F170 HydrophobicContact CG-CE2 3.71Å; Q164-F170 HydrophobicContact CG-CZ 4.23Å; S165-F170 WeakPolarHBondContact O-CE2 3.4Å; M167-F170 HydrophobicContact CB-CD1 4.17Å; M167-F170 HydrophobicContact CB-CD2 4.35Å; M167-F170 HydrophobicContact CB-CE1 3.68Å; M167-F170 HydrophobicContact CB-CE2 3.85Å; M167-F170 HydrophobicContact CB-CG 4.48Å; M167-F170 HydrophobicContact CB-CZ 3.51Å; M167-F170 HydrophobicContact CE-CE1 4.47Å; M167-F170 HydrophobicContact CG-CE1 3.91Å; M167-F170 HydrophobicContact CG-CE2 3.81Å; M167-F170 HydrophobicContact CG-CZ 3.32Å; M167-F170 PolarHBondContact N-O 3.43Å; M167-F170 PolarHBondContact O-N 2.93Å; M167-F170 VanDerWaalsContact O-N 3.16Å; M167-F170 HydrophobicContact SD-CE1 3.61Å; M167-F170 HydrophobicContact SD-CE2 4.26Å; M167-F170 HydrophobicContact SD-CZ 3.23Å; M167-F170 WeakPolarHBondContact SD-CZ 3.48Å |
| 171 | D | 95 | Very high | 86.1 | Confident | 31 Ų | 31 | 86 Ų | 86 | 17% | 0.166 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 166.1 | -178.6 | -154.7 | 1 | 0 | 0 | 0 | 113.5 | F140 E142 C153 S154 L173 | F140-D171 HydrophobicContact CD1-CB 4.08Å; F140-D171 HydrophobicContact CD2-CB 4.12Å; F140-D171 HydrophobicContact CE1-CB 3.63Å; F140-D171 WeakPolarHBondContact CE1-OD1 3.47Å; F140-D171 HydrophobicContact CE2-CB 3.68Å; F140-D171 HydrophobicContact CG-CB 4.31Å; F140-D171 HydrophobicContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CG 3.46Å; E142-D171 PolarHBondContact OE1-N 3.28Å; C153-D171 WeakPolarHBondContact CA-OD1 3.45Å; S154-D171 WeakPolarHBondContact CB-OD2 3.46Å; S154-D171 PolarHBondContact N-OD1 3.43Å; S154-D171 PolarHBondContact N-OD2 3.35Å; S154-D171 PolarHBondContact OG-OD2 2.67Å; D171-L173 PolarHBondContact O-N 2.87Å |
| 172 | T | 94.4 | Very high | 83.7 | Confident | 20 Ų | 20 | 85.1 Ų | 85.1 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 129.5 | 167.4 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | S154 E162 Q164 C166 | S154-T172 WeakPolarHBondContact O-CB 3.34Å; S154-T172 PolarHBondContact O-OG1 3.41Å; E162-T172 HydrophobicContact CG-CG2 3.74Å; Q164-T172 WeakPolarHBondContact O-CA 3.5Å; C166-T172 WeakPolarHBondContact CB-OG1 3.21Å |
| 173 | L | 94.6 | Very high | 81.4 | Confident | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.7 | 174 | -173.7 | 66.8 | 0 | 0 | 0 | 110.1 | I163 Q164 D171 | I163-L173 HydrophobicContact CB-CD2 4.32Å; I163-L173 HydrophobicContact CB-CG 4.45Å; I163-L173 HydrophobicContact CG2-CD2 4.37Å; I163-L173 PolarHBondContact N-O 3.25Å; Q164-L173 HydrophobicContact CB-CB 3.79Å; Q164-L173 PolarHBondContact N-O 3.22Å; Q164-L173 PolarHBondContact O-N 2.92Å; D171-L173 PolarHBondContact O-N 2.87Å |
| 174 | C | 94.1 | Very high | 79 | Confident | 34 Ų | 34 | 86.1 Ų | 86.1 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.8 | 179.2 | -53 | 0 | 0 | 0 | 0 | 110.7 | C156 E160 V161 | C156-C174 WeakPolarHBondContact CA-SG 3.44Å; C156-C174 HydrophobicContact CB-CB 3.81Å; C156-C174 WeakPolarHBondContact CB-SG 3.23Å; C156-C174 WeakPolarHBondContact SG-CB 3.35Å; C156-C174 CovalentContact SG-SG 2.04Å; C156-C174 PolarHBondContact SG-SG 2Å; E160-C174 HydrophobicContact CB-CB 4.08Å; E160-C174 HydrophobicContact CG-CB 4.4Å; V161-C174 WeakPolarHBondContact O-CA 3.43Å |
| 175 | M | 91.6 | Very high | 76.5 | Confident | 94 Ų | 94 | 85.4 Ų | 85.4 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.9 | 174.6 | -168.1 | 161.4 | 85.4 | 0 | 0 | 111 | E160 V161 I163 K177 L179 | E160-M175 CarbonylContact C-O 3.56Å; E160-M175 WeakPolarHBondContact CA-O 3.16Å; V161-M175 PolarHBondContact N-O 2.97Å; V161-M175 PolarHBondContact O-N 3.4Å; I163-M175 HydrophobicContact CD1-CB 3.91Å; I163-M175 HydrophobicContact CD1-CE 4.22Å; I163-M175 HydrophobicContact CG1-CB 3.55Å; M175-K177 PolarHBondContact O-N 2.97Å; M175-L179 HydrophobicContact CE-CD1 4.33Å |
| 176 | D | 90.7 | Very high | 74.5 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 135.3 | -179.5 | -67.9 | -51 | 0 | 0 | 0 | 112.4 | K178 | D176-K178 PolarHBondContact O-N 3.41Å |
| 177 | K | 83.6 | Confident | 72.2 | Confident | 131 Ų | 131 | 93.3 Ų | 93.3 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -62.8 | -22.4 | 174.2 | -72.6 | 170.3 | -177.5 | 164.9 | 0 | 112.5 | D158 D159 E160 V161 M175 L179 | D158-K177 PolarHBondContact O-NZ 3.44Å; D159-K177 VanDerWaalsContact O-CB 3.3Å; D159-K177 WeakPolarHBondContact O-CB 3.47Å; D159-K177 VanDerWaalsContact O-CG 3.28Å; D159-K177 WeakPolarHBondContact O-CG 3.13Å; D159-K177 PolarHBondContact O-N 3.3Å; E160-K177 WeakPolarHBondContact O-CE 3.29Å; V161-K177 HydrophobicContact CG2-CD 4.2Å; V161-K177 HydrophobicContact CG2-CG 3.41Å; V161-K177 VanDerWaalsContact CG2-CG 3.41Å; M175-K177 PolarHBondContact O-N 2.97Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.26Å; K177-L179 VanDerWaalsContact O-N 3.16Å |
| 178 | K | 71.6 | Confident | 69.6 | Low | 161 Ų | 161 | 92.5 Ų | 92.5 | 70% | 0.7 | 55% | 0.549 | S | S | * | . | trans | -86.6 | 73.5 | 175.4 | -100.7 | -179.9 | 178 | 169.6 | 0 | 111 | D176 H180 | D176-K178 PolarHBondContact O-N 3.41Å; K178-H180 VanDerWaalsContact C-N 3.3Å; K178-H180 PolarHBondContact O-N 2.03Å | ||
| 179 | L | 59.9 | Low | 67.2 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | trans | -65.6 | 101.4 | 149.2 | -77.9 | 167.3 | 0 | 0 | 0 | 106.8 | M175 K177 I181 | M175-L179 HydrophobicContact CE-CD1 4.33Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.26Å; K177-L179 VanDerWaalsContact O-N 3.16Å; L179-I181 PolarHBondContact O-N 3.13Å | ||
| 180 | H | 51.8 | Low | 64.5 | Low | 161 Ų | 161 | 100.1 Ų | 100.1 | 75% | 0.745 | 60% | 0.596 | S | S | * | * | trans | -62.7 | 83.5 | 164.8 | -73.1 | -72.7 | 0 | 0 | 0 | 108.2 | K178 G182 | K178-H180 VanDerWaalsContact C-N 3.3Å; K178-H180 PolarHBondContact O-N 2.03Å; H180-G182 PolarHBondContact O-N 3.08Å | ||
| 181 | I | 52.8 | Low | 61.9 | Low | 156 Ų | 156 | 105 Ų | 105 | 80% | 0.8 | 62% | 0.624 | S | S | * | * | trans | -64.6 | 89 | 149.1 | -57 | 174 | 0 | 0 | 0 | 103.6 | L179 | L179-I181 PolarHBondContact O-N 3.13Š| ||
| 182 | G | 39.1 | Very low | 59.4 | Low | 48 Ų | 48 | 110.9 Ų | 110.9 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | trans | -50.6 | 138 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | H180 A184 | H180-G182 PolarHBondContact O-N 3.08Å; G182-A184 PolarHBondContact O-N 3.24Å | ||
| 183 | P | 44.2 | Very low | 56.8 | Low | 128 Ų | 128 | 115.7 Ų | 115.7 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | trans | -55.1 | 118.2 | 178.5 | 23.1 | -30 | 0 | 0 | 0 | 106.4 | G185 | P183-G185 VanDerWaalsContact C-N 3.31Å; P183-G185 PolarHBondContact O-N 2.69Å | ||
| 184 | A | 41.6 | Very low | 54 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | -53.4 | 106.2 | 170 | 0 | 0 | 0 | 0 | 0 | 105.7 | G182 A186 | G182-A184 PolarHBondContact O-N 3.24Å; A184-A186 PolarHBondContact O-N 3.44Å; A184-A186 VanDerWaalsContact O-N 3.08Å | ||
| 185 | G | 41.5 | Very low | 51 | Low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | -53.5 | 119.5 | 171 | 0 | 0 | 0 | 0 | 0 | 106.5 | P183 D187 | P183-G185 VanDerWaalsContact C-N 3.31Å; P183-G185 PolarHBondContact O-N 2.69Å; G185-D187 PolarHBondContact O-N 3.04Å | ||
| 186 | A | 49.7 | Very low | 48.1 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -55.1 | 107.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | A184 | A184-A186 PolarHBondContact O-N 3.44Å; A184-A186 VanDerWaalsContact O-N 3.08Å |
| 187 | D | 47.6 | Very low | 45.3 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 174.3 | 129.4 | 132.9 | -162 | 10.4 | 0 | 0 | 0 | 109 | G185 | G185-D187 PolarHBondContact O-N 3.04Š| ||
| 188 | G | 37.9 | Very low | 42.9 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 144.1 | 68.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L190 | G188-L190 PolarHBondContact O-N 3.04Š| ||
| 189 | T | 43.1 | Very low | 41.1 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -45.4 | 120.4 | 165.9 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 190 | L | 37.8 | Very low | 39.8 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -144.4 | 112.7 | 156.2 | -136.3 | 150.3 | 0 | 0 | 0 | 111.1 | G188 | G188-L190 PolarHBondContact O-N 3.04Š| ||
| 191 | N | 38.3 | Very low | 38.9 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 131.3 | -178.8 | -58.1 | -74.2 | 0 | 0 | 0 | 112 | ||||
| 192 | I | 42.1 | Very low | 38.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | -139.2 | 138.9 | 151.4 | -62.9 | -172 | 0 | 0 | 0 | 108.1 | ||||
| 193 | P | 38.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -85.7 | 149.6 | -158.2 | 6.4 | 11.5 | 0 | 0 | 0 | 114.2 | ||||
| 194 | N | 35.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -51.1 | 140.2 | 168.6 | -79.4 | -19.7 | 0 | 0 | 0 | 113.8 | ||||
| 195 | G | 32.3 | Very low | 36.8 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -160.7 | 101.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 196 | A | 30.5 | Very low | 36.2 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 68.8 | 109.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 197 | V | 32.2 | Very low | 35.6 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 66.3 | 114.9 | 56.1 | -169.5 | 0 | 0 | 0 | 0 | 108 | |||||
| 198 | M | 32.7 | Very low | 35.1 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | cis | -154.3 | 140.6 | 33.7 | -74.8 | 177.3 | -88 | 0 | 0 | 108.5 | ||||
| 199 | E | 34.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | 50.9 | 131.2 | 92.9 | -73.1 | 179.3 | 171.6 | 0 | 0 | 112.7 | |||||
| 200 | E | 32.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | cis | -175.1 | 164.1 | 33.4 | -132.6 | 172.4 | 179.5 | 0 | 0 | 110.3 | ||||
| 201 | N | 31.1 | Very low | 34.4 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 112.6 | 96 | 150.2 | -61.4 | -26.1 | 0 | 0 | 0 | 118.9 | ||||
| 202 | E | 40.2 | Very low | 35.2 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 151.5 | 147 | -56.6 | 175.5 | 127.6 | 0 | 0 | 110.7 | ||||
| 203 | E | 29.9 | Very low | 34.6 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | -163.2 | 129.8 | 126.6 | -107.7 | 173.8 | -172.7 | 0 | 0 | 109.9 | |||||
| 204 | E | 34.9 | Very low | 34 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -62.9 | 157.6 | 172.2 | -65.4 | 177.5 | 119.5 | 0 | 0 | 111.9 | ||||
| 205 | D | 28.6 | Very low | 34 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | 175 | 143.4 | 109.7 | -164.9 | 18.6 | 0 | 0 | 0 | 112.1 | |||||
| 206 | G | 29.9 | Very low | 33.9 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | trans | 75.5 | 99.2 | 138 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 207 | S | 36.2 | Very low | 34.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -69.6 | 151.1 | 145.3 | -69.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 208 | P | 38.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -147.8 | 160.6 | 88 | 34.7 | -15.4 | 0 | 0 | 0 | 115.5 | |||||
| 209 | A | 33.7 | Very low | 34.7 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -58.2 | 158.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 210 | P | 37.3 | Very low | 35.3 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -139.3 | 159.4 | 122.7 | 32.4 | -16.1 | 0 | 0 | 0 | 114 | |||||
| 211 | G | 32.1 | Very low | 36.1 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -74.9 | -160.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 212 | P | 55.1 | Low | 37.1 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 144.7 | -139.7 | 35.1 | -36 | 0 | 0 | 0 | 113.5 | ||||
| 213 | S | 29 | Very low | 38 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -147.7 | 114.3 | 167.9 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 214 | K | 25.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 126.7 Ų | 126.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | 84.8 | 102 | 123.7 | -150.3 | 168.2 | -174.1 | 177.3 | 0 | 117.9 | |||||
| 215 | F | 36.8 | Very low | 41.1 | Very low | 206 Ų | 206 | 122.5 Ų | 122.5 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -37.3 | 128.6 | 151 | -79 | -97.5 | 0 | 0 | 0 | 113 | ||||
| 216 | T | 29.8 | Very low | 43.4 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -126.6 | 131.3 | 148 | 39.7 | 0 | 0 | 0 | 0 | 108.2 | Q218 | T216-Q218 PolarHBondContact O-N 3.43Š| ||
| 217 | P | 41.5 | Very low | 45.7 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | -72.9 | 121.7 | 171.2 | 6 | 8.9 | 0 | 0 | 0 | 108.6 | ||||
| 218 | Q | 34.6 | Very low | 48.1 | Very low | 186 Ų | 186 | 120.5 Ų | 120.5 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -95.4 | 112.5 | 172.4 | -153 | 173.7 | 13.2 | 0 | 0 | 108.2 | T216 | T216-Q218 PolarHBondContact O-N 3.43Š| ||
| 219 | D | 35.4 | Very low | 50.4 | Low | 151 Ų | 151 | 122.3 Ų | 122.3 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | trans | 35.8 | 111.8 | 155.8 | -102 | -51.8 | 0 | 0 | 0 | 119.8 | G221 | D219-G221 PolarHBondContact O-N 2.98Š| ||
| 220 | E | 47.7 | Very low | 53 | Low | 183 Ų | 183 | 121.9 Ų | 121.9 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | trans | -60.6 | 90.2 | 158.3 | -76.9 | -172.4 | 110.6 | 0 | 0 | 111.1 | ||||
| 221 | G | 49.9 | Very low | 55.6 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | trans | -125.7 | 5.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | D219 | D219-G221 PolarHBondContact O-N 2.98Š| ||
| 222 | G | 52.3 | Low | 58.5 | Low | 47 Ų | 47 | 120.2 Ų | 120.2 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -99.8 | -19.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 223 | S | 58.3 | Low | 60.4 | Low | 67 Ų | 67 | 119.1 Ų | 119.1 | 47% | 0.469 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -78.7 | -27.8 | -167.8 | -47.3 | 0 | 0 | 0 | 0 | 113.7 | L227 | S223-L227 WeakPolarHBondContact O-CB 2.92Å; S223-L227 WeakPolarHBondContact O-CD1 3.27Å; S223-L227 WeakPolarHBondContact O-CG 3.42Å; S223-L227 PolarHBondContact O-N 3.41Å; S223-L227 VanDerWaalsContact O-N 3.15Å |
| 224 | N | 63.8 | Low | 63.4 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.5 | -32.5 | -173.7 | -65.1 | -33.2 | 0 | 0 | 0 | 112.9 | V228 | N224-V228 WeakPolarHBondContact O-CB 3.37Å; N224-V228 WeakPolarHBondContact O-CG2 3.16Å; N224-V228 PolarHBondContact O-N 3.16Å |
| 225 | N | 66.3 | Low | 66.7 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -43.4 | 176 | -82.3 | -40.7 | 0 | 0 | 0 | 111 | V228 Y229 | N225-V228 PolarHBondContact O-N 2.86Å; N225-Y229 WeakPolarHBondContact O-CD2 3.44Å; N225-Y229 PolarHBondContact O-N 3.11Å |
| 226 | I | 76.9 | Confident | 69.5 | Low | 117 Ų | 117 | 103.8 Ų | 103.8 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -45.1 | 178.7 | -60.9 | 169.1 | 0 | 0 | 0 | 110.4 | V228 Y229 V230 | I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 2.82Å; I226-Y229 PolarHBondContact O-N 2.89Å; I226-V230 HydrophobicContact CG2-CG2 4.29Å; I226-V230 WeakPolarHBondContact O-CB 3.21Å; I226-V230 VanDerWaalsContact O-CG2 3.23Å; I226-V230 WeakPolarHBondContact O-CG2 3.05Å; I226-V230 PolarHBondContact O-N 2.93Å |
| 227 | L | 77.4 | Confident | 72.7 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.9 | -38.2 | 175.9 | -77.5 | 165.3 | 0 | 0 | 0 | 112.5 | S223 S231 | S223-L227 WeakPolarHBondContact O-CB 2.92Å; S223-L227 WeakPolarHBondContact O-CD1 3.27Å; S223-L227 WeakPolarHBondContact O-CG 3.42Å; S223-L227 PolarHBondContact O-N 3.41Å; S223-L227 VanDerWaalsContact O-N 3.15Å; L227-S231 VanDerWaalsContact O-CB 3.26Å; L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.47Å; L227-S231 PolarHBondContact O-OG 3.16Å |
| 228 | V | 87.1 | Confident | 75.3 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -45.4 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | N224 N225 I226 V230 S231 V232 | N224-V228 WeakPolarHBondContact O-CB 3.37Å; N224-V228 WeakPolarHBondContact O-CG2 3.16Å; N224-V228 PolarHBondContact O-N 3.16Å; N225-V228 PolarHBondContact O-N 2.86Å; I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 2.82Å; V228-V230 PolarHBondContact O-N 2.81Å; V228-S231 PolarHBondContact O-N 3.01Å; V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 WeakPolarHBondContact O-CB 3.19Å; V228-V232 VanDerWaalsContact O-CG2 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.02Å; V228-V232 PolarHBondContact O-N 2.86Å |
| 229 | Y | 87.2 | Confident | 78.2 | Confident | 160 Ų | 160 | 94 Ų | 94 | 63% | 0.627 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.8 | -44.1 | 176.3 | -83.7 | -70.4 | 0 | 0 | 0 | 112.5 | N225 I226 S231 V232 L233 | N225-Y229 WeakPolarHBondContact O-CD2 3.44Å; N225-Y229 PolarHBondContact O-N 3.11Å; I226-Y229 PolarHBondContact O-N 2.89Å; Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.46Å; Y229-V232 PolarHBondContact O-N 3.45Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CG 3.05Å; Y229-L233 PolarHBondContact O-N 3.45Å |
| 230 | V | 88.8 | Confident | 81 | Confident | 86 Ų | 86 | 91.7 Ų | 91.7 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.8 | I226 V228 L233 A234 | I226-V230 HydrophobicContact CG2-CG2 4.29Å; I226-V230 WeakPolarHBondContact O-CB 3.21Å; I226-V230 VanDerWaalsContact O-CG2 3.23Å; I226-V230 WeakPolarHBondContact O-CG2 3.05Å; I226-V230 PolarHBondContact O-N 2.93Å; V228-V230 PolarHBondContact O-N 2.81Å; V230-L233 PolarHBondContact O-N 3.04Å; V230-A234 VanDerWaalsContact O-CB 3.32Å; V230-A234 WeakPolarHBondContact O-CB 3.4Å; V230-A234 PolarHBondContact O-N 2.95Å |
| 231 | S | 90.9 | Very high | 83.3 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | L227 V228 Y229 A235 | L227-S231 VanDerWaalsContact O-CB 3.26Å; L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.47Å; L227-S231 PolarHBondContact O-OG 3.16Å; V228-S231 PolarHBondContact O-N 3.01Å; Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.46Å; S231-A235 PolarHBondContact O-N 3.45Å |
| 232 | V | 93.8 | Very high | 85.5 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111 | V228 Y229 A234 A235 V236 | V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 WeakPolarHBondContact O-CB 3.19Å; V228-V232 VanDerWaalsContact O-CG2 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.02Å; V228-V232 PolarHBondContact O-N 2.86Å; Y229-V232 PolarHBondContact O-N 3.45Å; V232-A234 PolarHBondContact O-N 3.17Å; V232-A235 PolarHBondContact O-N 3.21Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.47Å |
| 233 | L | 94 | Very high | 87.5 | Confident | 110 Ų | 110 | 94.6 Ų | 94.6 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 176.1 | -78.6 | 167.9 | 0 | 0 | 0 | 111.6 | Y229 V230 A235 V236 V237 | Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CG 3.05Å; Y229-L233 PolarHBondContact O-N 3.45Å; V230-L233 PolarHBondContact O-N 3.04Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-A235 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 3.46Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.32Å |
| 234 | A | 92.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 95.3 Ų | 95.3 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V230 V232 V237 L238 | V230-A234 VanDerWaalsContact O-CB 3.32Å; V230-A234 WeakPolarHBondContact O-CB 3.4Å; V230-A234 PolarHBondContact O-N 2.95Å; V232-A234 PolarHBondContact O-N 3.17Å; A234-V237 PolarHBondContact O-N 3.34Å; A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.15Å |
| 235 | A | 95.2 | Very high | 90.8 | Very high | 63 Ų | 63 | 92.6 Ų | 92.6 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S231 V232 L233 G239 | S231-A235 PolarHBondContact O-N 3.45Å; V232-A235 PolarHBondContact O-N 3.21Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-A235 PolarHBondContact O-N 3.45Å; A235-G239 PolarHBondContact O-N 3.04Å |
| 236 | V | 96.2 | Very high | 92.2 | Very high | 80 Ų | 80 | 94.1 Ų | 94.1 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -45 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 111 | V232 L233 G239 L240 | V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.47Å; L233-V236 PolarHBondContact O-N 3.46Å; V236-G239 PolarHBondContact O-N 3.29Å; V236-L240 HydrophobicContact CG1-CD1 4.24Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.07Å |
| 237 | V | 95.7 | Very high | 92.9 | Very high | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L233 A234 G239 L240 L241 | L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.32Å; A234-V237 PolarHBondContact O-N 3.34Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 2.87Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.03Å |
| 238 | L | 96.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 93.1 Ų | 93.1 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 174.6 | -75.2 | 169.5 | 0 | 0 | 0 | 111.8 | A234 L240 L241 V242 | A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.15Å; L238-L240 PolarHBondContact O-N 3.02Å; L238-L241 PolarHBondContact O-N 3.38Å; L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.25Å; L238-V242 PolarHBondContact O-N 3.46Å |
| 239 | G | 95.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 98 Ų | 98 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A235 V236 V237 V242 Y243 | A235-G239 PolarHBondContact O-N 3.04Å; V236-G239 PolarHBondContact O-N 3.29Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 2.87Å; G239-V242 PolarHBondContact O-N 3.22Å; G239-Y243 WeakPolarHBondContact O-CB 3.43Å; G239-Y243 PolarHBondContact O-N 3.01Å |
| 240 | L | 95.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 176.7 | -71.3 | 174.4 | 0 | 0 | 0 | 112.1 | V236 V237 L238 Y243 V244 | V236-L240 HydrophobicContact CG1-CD1 4.24Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.07Å; V237-L240 PolarHBondContact O-N 3.36Å; L238-L240 PolarHBondContact O-N 3.02Å; L240-Y243 PolarHBondContact O-N 3.17Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.22Å |
| 241 | L | 95 | Very high | 93.6 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 175.9 | -70.7 | 174.9 | 0 | 0 | 0 | 111.5 | V237 L238 Y243 V244 A245 | V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.03Å; L238-L241 PolarHBondContact O-N 3.38Å; L241-Y243 VanDerWaalsContact C-N 3.35Å; L241-V244 PolarHBondContact O-N 3.03Å; L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.2Å; L241-A245 PolarHBondContact O-N 3.38Å |
| 242 | V | 96.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 62% | 0.618 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | L238 G239 A245 Y246 | L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.25Å; L238-V242 PolarHBondContact O-N 3.46Å; G239-V242 PolarHBondContact O-N 3.22Å; V242-A245 PolarHBondContact O-N 3.44Å; V242-Y246 VanDerWaalsContact O-CB 3.27Å; V242-Y246 WeakPolarHBondContact O-CB 3.18Å; V242-Y246 PolarHBondContact O-N 3.33Å |
| 243 | Y | 95.6 | Very high | 92.5 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.7 | 175.7 | -104 | 0 | 0 | 0 | 112.4 | G239 L240 L241 Y246 K247 | G239-Y243 WeakPolarHBondContact O-CB 3.43Å; G239-Y243 PolarHBondContact O-N 3.01Å; L240-Y243 PolarHBondContact O-N 3.17Å; L241-Y243 VanDerWaalsContact C-N 3.35Å; Y243-Y246 PolarHBondContact O-N 3.22Å; Y243-K247 HydrophobicContact CE1-CD 4.5Å; Y243-K247 WeakPolarHBondContact O-CB 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å |
| 244 | V | 95.9 | Very high | 91.5 | Very high | 81 Ų | 81 | 99 Ų | 99 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L240 L241 Y246 K247 C248 | L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.22Å; L241-V244 PolarHBondContact O-N 3.03Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.34Å; V244-K247 PolarHBondContact O-N 2.98Å; V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 2.9Å; V244-C248 PolarHBondContact O-SG 2.83Å; V244-C248 VanDerWaalsContact O-SG 3.37Å |
| 245 | A | 94.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 104 Ų | 104 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L241 V242 C248 W249 | L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.2Å; L241-A245 PolarHBondContact O-N 3.38Å; V242-A245 PolarHBondContact O-N 3.44Å; A245-C248 PolarHBondContact O-N 3.04Å; A245-W249 WeakPolarHBondContact O-CB 3.42Å; A245-W249 PolarHBondContact O-N 3.43Å |
| 246 | Y | 95.8 | Very high | 89.6 | Confident | 138 Ų | 138 | 107.9 Ų | 107.9 | 54% | 0.541 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.1 | 177.9 | -104.8 | 0 | 0 | 0 | 112.1 | V242 Y243 V244 W249 R250 | V242-Y246 VanDerWaalsContact O-CB 3.27Å; V242-Y246 WeakPolarHBondContact O-CB 3.18Å; V242-Y246 PolarHBondContact O-N 3.33Å; Y243-Y246 PolarHBondContact O-N 3.22Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.34Å; Y246-W249 PolarHBondContact O-N 2.71Å; Y246-R250 VanDerWaalsContact O-CB 3.31Å; Y246-R250 WeakPolarHBondContact O-CB 3.46Å; Y246-R250 PolarHBondContact O-N 2.02Å |
| 247 | K | 93.3 | Very high | 88.3 | Confident | 131 Ų | 131 | 107.2 Ų | 107.2 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.2 | -41.5 | 177.7 | -163.4 | -179.2 | -176.9 | -179.4 | 0 | 111.5 | Y243 V244 R250 S251 | Y243-K247 HydrophobicContact CE1-CD 4.5Å; Y243-K247 WeakPolarHBondContact O-CB 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å; V244-K247 PolarHBondContact O-N 2.98Å; K247-R250 PolarHBondContact O-N 3.47Å; K247-S251 VanDerWaalsContact O-CB 3.25Å; K247-S251 WeakPolarHBondContact O-CB 3.36Å; K247-S251 PolarHBondContact O-N 3.42Å |
| 248 | C | 88.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 108.5 Ų | 108.5 | 48% | 0.48 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 171.4 | -75 | 0 | 0 | 0 | 0 | 110.9 | V244 A245 S251 C252 | V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 2.9Å; V244-C248 PolarHBondContact O-SG 2.83Å; V244-C248 VanDerWaalsContact O-SG 3.37Å; A245-C248 PolarHBondContact O-N 3.04Å; C248-S251 PolarHBondContact O-N 3.15Å; C248-C252 VanDerWaalsContact O-CB 3.27Å; C248-C252 WeakPolarHBondContact O-CB 3.48Å; C248-C252 PolarHBondContact O-N 2.76Å; C248-C252 PolarHBondContact O-SG 3.35Å |
| 249 | W | 89.7 | Confident | 85.2 | Confident | 187 Ų | 187 | 106 Ų | 106 | 71% | 0.708 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 175.4 | -177.6 | -89.8 | 0 | 0 | 0 | 111.7 | A245 Y246 C252 K253 | A245-W249 WeakPolarHBondContact O-CB 3.42Å; A245-W249 PolarHBondContact O-N 3.43Å; Y246-W249 PolarHBondContact O-N 2.71Å; W249-C252 PolarHBondContact O-N 2.85Å; W249-K253 VanDerWaalsContact O-CB 3.27Å; W249-K253 WeakPolarHBondContact O-CB 3.44Å; W249-K253 PolarHBondContact O-N 2.88Å |
| 250 | R | 90.1 | Very high | 83.9 | Confident | 144 Ų | 144 | 111.9 Ų | 111.9 | 54% | 0.543 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 177.7 | -167.7 | 175.1 | -178.1 | 179.9 | 1.6 | 111.6 | Y246 K247 K253 Q254 | Y246-R250 VanDerWaalsContact O-CB 3.31Å; Y246-R250 WeakPolarHBondContact O-CB 3.46Å; Y246-R250 PolarHBondContact O-N 2.02Å; K247-R250 PolarHBondContact O-N 3.47Å; R250-K253 PolarHBondContact O-N 2.85Å; R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.43Å |
| 251 | S | 85.6 | Confident | 82.2 | Confident | 50 Ų | 50 | 109.8 Ų | 109.8 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.6 | -43.1 | 176 | -165 | 0 | 0 | 0 | 0 | 111.8 | K247 C248 K253 Q254 K255 | K247-S251 VanDerWaalsContact O-CB 3.25Å; K247-S251 WeakPolarHBondContact O-CB 3.36Å; K247-S251 PolarHBondContact O-N 3.42Å; C248-S251 PolarHBondContact O-N 3.15Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.03Å; S251-Q254 PolarHBondContact O-N 2.93Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.5Å |
| 252 | C | 81.1 | Confident | 80.5 | Confident | 70 Ų | 70 | 113.3 Ų | 113.3 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -37.4 | 171.8 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | C248 W249 K255 K256 | C248-C252 VanDerWaalsContact O-CB 3.27Å; C248-C252 WeakPolarHBondContact O-CB 3.48Å; C248-C252 PolarHBondContact O-N 2.76Å; C248-C252 PolarHBondContact O-SG 3.35Å; W249-C252 PolarHBondContact O-N 2.85Å; C252-K255 PolarHBondContact O-N 3.42Å; C252-K256 WeakPolarHBondContact O-CB 3.03Å; C252-K256 VanDerWaalsContact O-CG 3.31Å; C252-K256 WeakPolarHBondContact O-CG 3.42Å; C252-K256 PolarHBondContact O-N 2.04Å |
| 253 | K | 80.8 | Confident | 78.8 | Confident | 148 Ų | 148 | 113.6 Ų | 113.6 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.9 | -40.5 | 175 | -168.2 | 175.7 | -178.4 | -179.2 | 0 | 111.5 | W249 R250 S251 A257 | W249-K253 VanDerWaalsContact O-CB 3.27Å; W249-K253 WeakPolarHBondContact O-CB 3.44Å; W249-K253 PolarHBondContact O-N 2.88Å; R250-K253 PolarHBondContact O-N 2.85Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.03Å; K253-A257 PolarHBondContact O-N 3.4Å |
| 254 | Q | 73.5 | Confident | 77 | Confident | 126 Ų | 126 | 110.1 Ų | 110.1 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -43.6 | 172.9 | -76 | 176.7 | -25.3 | 0 | 0 | 112 | R250 S251 K256 A257 L258 | R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.43Å; S251-Q254 PolarHBondContact O-N 2.93Å; Q254-K256 PolarHBondContact O-N 3.33Å; Q254-A257 WeakPolarHBondContact O-CB 3.26Å; Q254-A257 PolarHBondContact O-N 3.33Å; Q254-L258 PolarHBondContact O-N 2.86Å |
| 255 | K | 76.5 | Confident | 75 | Confident | 151 Ų | 151 | 113.9 Ų | 113.9 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -35.8 | 177.6 | -71.4 | -177.4 | 179.1 | -173.5 | 0 | 112.9 | S251 C252 A257 L258 S259 | S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.5Å; C252-K255 PolarHBondContact O-N 3.42Å; K255-A257 VanDerWaalsContact C-N 3.31Å; K255-A257 PolarHBondContact O-N 2.94Å; K255-L258 PolarHBondContact O-N 3.2Å; K255-S259 PolarHBondContact O-N 2.93Å |
| 256 | K | 71.9 | Confident | 73 | Confident | 146 Ų | 146 | 118.7 Ų | 118.7 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68 | -25.9 | 174.4 | -77 | 178.4 | 179.7 | -177.7 | 0 | 113.5 | C252 Q254 S259 K260 | C252-K256 WeakPolarHBondContact O-CB 3.03Å; C252-K256 VanDerWaalsContact O-CG 3.31Å; C252-K256 WeakPolarHBondContact O-CG 3.42Å; C252-K256 PolarHBondContact O-N 2.04Å; Q254-K256 PolarHBondContact O-N 3.33Å; K256-S259 PolarHBondContact O-OG 2.86Å; K256-K260 WeakPolarHBondContact O-CG 3.44Å; K256-K260 PolarHBondContact O-N 2.95Å |
| 257 | A | 67.9 | Low | 71 | Confident | 66 Ų | 66 | 116 Ų | 116 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.4 | -39.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K253 Q254 K255 K260 A261 | K253-A257 PolarHBondContact O-N 3.4Å; Q254-A257 WeakPolarHBondContact O-CB 3.26Å; Q254-A257 PolarHBondContact O-N 3.33Å; K255-A257 VanDerWaalsContact C-N 3.31Å; K255-A257 PolarHBondContact O-N 2.94Å; A257-K260 PolarHBondContact O-N 3.48Å; A257-A261 PolarHBondContact O-N 2.88Å |
| 258 | L | 62.5 | Low | 69 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 56% | 0.555 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71 | -36.2 | 179 | -165.9 | 146.2 | 0 | 0 | 0 | 112.7 | Q254 K255 K260 A261 R262 | Q254-L258 PolarHBondContact O-N 2.86Å; K255-L258 PolarHBondContact O-N 3.2Å; L258-K260 VanDerWaalsContact C-N 3.35Å; L258-A261 PolarHBondContact O-N 3.39Å; L258-R262 PolarHBondContact O-N 3.08Å |
| 259 | S | 64.9 | Low | 66.5 | Low | 60 Ų | 60 | 117.1 Ų | 117.1 | 42% | 0.42 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.9 | -31.7 | 175.6 | 65.4 | 0 | 0 | 0 | 0 | 113 | K255 K256 R262 V263 | K255-S259 PolarHBondContact O-N 2.93Å; K256-S259 PolarHBondContact O-OG 2.86Å; S259-R262 PolarHBondContact O-N 3.22Å; S259-V263 WeakPolarHBondContact O-CG2 3.24Å; S259-V263 PolarHBondContact O-N 3.45Å |
| 260 | K | 66.9 | Low | 64.4 | Low | 164 Ų | 164 | 114 Ų | 114 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.3 | -32.8 | 176.1 | -78.3 | -177.2 | 176.5 | -171.2 | 0 | 112.8 | K256 A257 L258 A264 | K256-K260 WeakPolarHBondContact O-CG 3.44Å; K256-K260 PolarHBondContact O-N 2.95Å; A257-K260 PolarHBondContact O-N 3.48Å; L258-K260 VanDerWaalsContact C-N 3.35Å; K260-A264 PolarHBondContact O-N 3.31Å |
| 261 | A | 60.9 | Low | 61.9 | Low | 60 Ų | 60 | 116.5 Ų | 116.5 | 50% | 0.496 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.5 | -38.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A257 L258 V263 A264 E265 | A257-A261 PolarHBondContact O-N 2.88Å; L258-A261 PolarHBondContact O-N 3.39Å; A261-V263 PolarHBondContact O-N 3.48Å; A261-A264 PolarHBondContact O-N 3.33Å; A261-E265 PolarHBondContact O-N 3.43Å |
| 262 | R | 59.5 | Low | 59.5 | Low | 183 Ų | 183 | 117.7 Ų | 117.7 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.4 | -28.9 | 177.5 | -75.7 | -166.8 | 179.4 | 165.2 | -0.7 | 114.5 | L258 S259 | L258-R262 PolarHBondContact O-N 3.08Å; S259-R262 PolarHBondContact O-N 3.22Å |
| 263 | V | 58.8 | Low | 57.2 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.6 | -27.6 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | S259 A261 | S259-V263 WeakPolarHBondContact O-CG2 3.24Å; S259-V263 PolarHBondContact O-N 3.45Å; A261-V263 PolarHBondContact O-N 3.48Å |
| 264 | A | 57.9 | Low | 55 | Low | 63 Ų | 63 | 123.7 Ų | 123.7 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -71.1 | -33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K260 A261 L266 A267 | K260-A264 PolarHBondContact O-N 3.31Å; A261-A264 PolarHBondContact O-N 3.33Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-A267 PolarHBondContact O-N 3.19Å |
| 265 | E | 53.9 | Low | 53.4 | Low | 161 Ų | 161 | 124.5 Ų | 124.5 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.2 | -27.8 | 175.9 | -76.6 | -108.1 | 141.1 | 0 | 0 | 113.5 | A261 A267 | A261-E265 PolarHBondContact O-N 3.43Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.26Å |
| 266 | L | 53 | Low | 51.3 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -8.6 | 176.4 | -107.9 | 91.2 | 0 | 0 | 0 | 114 | A264 | A264-L266 VanDerWaalsContact C-N 3.35Š|
| 267 | A | 52.6 | Low | 50 | Low | 82 Ų | 82 | 124.3 Ų | 124.3 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A264 E265 | A264-A267 PolarHBondContact O-N 3.19Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.26Å |
| 268 | T | 51.7 | Low | 48.4 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | -121.4 | 88.2 | 178.1 | 45.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 269 | S | 36.7 | Very low | 47.3 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -133.2 | 107.9 | 162.1 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 270 | P | 45.1 | Very low | 46 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -84.2 | 138.3 | 168.9 | 30.6 | -25.4 | 0 | 0 | 0 | 110.6 | ||||
| 271 | E | 39.3 | Very low | 44.4 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -67.6 | 150.9 | 179.8 | -65.2 | 166.3 | 111.1 | 0 | 0 | 114.1 | ||||
| 272 | G | 35 | Very low | 43 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 82.7 | 141.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 273 | E | 31.7 | Very low | 42 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | -163.7 | 157 | 4.5 | -78.9 | -173.5 | 99.3 | 0 | 0 | 109.2 | ||||
| 274 | K | 34.3 | Very low | 40.6 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | 75.4 | 118.7 | 149.6 | -89.3 | 177.7 | 173.1 | 162.4 | 0 | 123.4 | ||||
| 275 | L | 41.3 | Very low | 39.6 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 64.1 | 109.4 | 138 | -63.4 | 163.1 | 0 | 0 | 0 | 117.9 | ||||
| 276 | Q | 32.1 | Very low | 38.5 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | -179.3 | 136.8 | 90 | -139.5 | 128.1 | -27.7 | 0 | 0 | 109 | |||||
| 277 | S | 43.5 | Very low | 37.5 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -58.9 | 132.6 | 167.3 | 44 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 278 | D | 35.2 | Very low | 36.4 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 175.7 | 144.7 | 113 | -147.9 | -19.1 | 0 | 0 | 0 | 111.4 | |||||
| 279 | S | 38.7 | Very low | 35.8 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 104.2 | 155.8 | -65.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 280 | G | 38.5 | Very low | 35.3 | Very low | 85 Ų | 85 | 144 Ų | 144 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -73.4 | 124.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 281 | V | 32.5 | Very low | 34.5 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -119.7 | 109.4 | 164.7 | 176 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 282 | F | 31.6 | Very low | 34.1 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -108 | 123.5 | 161.5 | -144.9 | -95.1 | 0 | 0 | 0 | 107.6 | D284 | F282-D284 PolarHBondContact O-N 3.5Š| ||
| 283 | L | 37.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 114 | 172.7 | -102.3 | 130.5 | 0 | 0 | 0 | 108.7 | ||||
| 284 | D | 30.9 | Very low | 34.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -117.4 | 107.6 | 151.7 | -85.7 | -41.7 | 0 | 0 | 0 | 108.3 | F282 | F282-D284 PolarHBondContact O-N 3.5Š| ||
| 285 | S | 35.7 | Very low | 33.9 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -63.7 | 125.9 | 155.3 | -78.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 286 | Y | 31.1 | Very low | 33.3 | Very low | 218 Ų | 218 | 142 Ų | 142 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | -179.1 | 121.5 | 128.4 | -96.7 | -71.7 | 0 | 0 | 0 | 109.5 | |||||
| 287 | S | 32.5 | Very low | 33.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 49.8 | 106.4 | 148 | -60.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 288 | L | 29.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 109 | 139.3 | -91.1 | 177.8 | 0 | 0 | 0 | 110.9 | ||||
| 289 | Q | 37.9 | Very low | 33 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 4.3 | 126.3 | 131 | -154 | 150.1 | 21.9 | 0 | 0 | 117.5 | ||||
| 290 | D | 27.1 | Very low | 32.7 | Very low | 156 Ų | 156 | 151.2 Ų | 151.2 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | -161.6 | 152.1 | 127.9 | -131.5 | -54.1 | 0 | 0 | 0 | 113.8 | |||||
| 291 | N | 28.7 | Very low | 33.2 | Very low | 131 Ų | 131 | 153.3 Ų | 153.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -80.3 | 147.2 | -172.5 | -84.6 | -78.1 | 0 | 0 | 0 | 113.8 | ||||
| 292 | Q | 30 | Very low | 33.6 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | 170 | 152.6 | 98 | -102.5 | -150.6 | 3.4 | 0 | 0 | 112.9 | |||||
| 293 | P | 35.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -97.4 | 141.1 | -177.1 | 36.7 | -28.8 | 0 | 0 | 0 | 112.8 | ||||
| 294 | S | 30.2 | Very low | 35.3 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -111.6 | 133.8 | 168.8 | 36.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 295 | K | 30.5 | Very low | 36.5 | Very low | 218 Ų | 218 | 149 Ų | 149 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -47.3 | 146.5 | -179.5 | -71 | 167.1 | 170.3 | 172 | 0 | 114.4 | ||||
| 296 | G | 28.3 | Very low | 38.1 | Very low | 70 Ų | 70 | 150.7 Ų | 150.7 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 161.6 | 89.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 297 | T | 31.6 | Very low | 40 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 16.1 | 135.4 | 140.8 | -21 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 298 | K | 30.7 | Very low | 41.8 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | 107.6 | 116.8 | 154 | -68.1 | -172.9 | 175.8 | 178.7 | 0 | 116.4 | D300 | K298-D300 PolarHBondContact O-N 2.83Š| ||
| 299 | R | 43.9 | Very low | 43.8 | Very low | 240 Ų | 240 | 134.9 Ų | 134.9 | 91% | 0.906 | 70% | 0.703 | S | S | * | * | trans | -41.9 | 125.8 | 160 | -74.5 | 173.2 | 169.4 | 168.5 | -4.3 | 110.4 | ||||
| 300 | D | 31.4 | Very low | 45.3 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | trans | -148.4 | 132.4 | 134.6 | -91.9 | -44.8 | 0 | 0 | 0 | 109.4 | K298 K302 | K298-D300 PolarHBondContact O-N 2.83Å; D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 2.85Å | ||
| 301 | S | 49 | Very low | 47.6 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -64.9 | 76.8 | -173.2 | -55.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 302 | K | 40.5 | Very low | 49.8 | Very low | 198 Ų | 198 | 120.3 Ų | 120.3 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -95.8 | 114.1 | 168.5 | -155.2 | 169.1 | -174.9 | 178.8 | 0 | 108.2 | D300 D304 | D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 2.85Å; K302-D304 PolarHBondContact O-N 3.27Å; K302-D304 VanDerWaalsContact O-N 3.14Å | ||
| 303 | L | 48.3 | Very low | 51.9 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | trans | -38.1 | 117.7 | -177.5 | -86.6 | 109.3 | 0 | 0 | 0 | 111.6 | N305 | L303-N305 PolarHBondContact O-N 3.47Š| ||
| 304 | D | 56.3 | Low | 53.6 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 42% | 0.422 | 61% | 0.61 | S | S | . | * | trans | -68.7 | 100.3 | 169.9 | -156.9 | -21.2 | 0 | 0 | 0 | 107.6 | K302 R306 G371 | K302-D304 PolarHBondContact O-N 3.27Å; K302-D304 VanDerWaalsContact O-N 3.14Å; D304-R306 PolarHBondContact O-N 3.36Å; D304-R306 VanDerWaalsContact OD1-CB 3.29Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.32Å; D304-G371 PolarHBondContact O-N 3.32Å | ||
| 305 | N | 57.3 | Low | 55.6 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 66% | 0.658 | 58% | 0.577 | S | S | * | * | trans | -75 | 4.7 | -179.8 | -80.4 | -17.1 | 0 | 0 | 0 | 112.5 | L303 L307 | L303-N305 PolarHBondContact O-N 3.47Å; N305-L307 PolarHBondContact O-N 3.23Å | ||
| 306 | R | 68.6 | Low | 57.9 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | trans | -63 | 129.4 | 174.9 | -172.3 | 172.4 | -179.9 | 156.2 | 1.4 | 109.6 | D304 N310 L370 | D304-R306 PolarHBondContact O-N 3.36Å; D304-R306 VanDerWaalsContact OD1-CB 3.29Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.32Å; R306-N310 HydrophobicContact CG-CB 4.32Å; R306-N310 PolarHBondContact NE-O 2.95Å; R306-N310 PolarHBondContact NH2-O 3.24Å; R306-L370 HydrophobicContact CB-CD1 3.99Å; R306-L370 HydrophobicContact CB-CG 4.43Å; R306-L370 HydrophobicContact CG-CD1 4.02Å; R306-L370 WeakPolarHBondContact O-CG 3.44Å; R306-L370 PolarHBondContact O-N 3.29Å | ||
| 307 | L | 70.6 | Confident | 60.3 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 38% | 0.377 | 54% | 0.536 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 143.1 | 176 | -61.4 | 170.2 | 0 | 0 | 0 | 110.3 | N305 V309 N310 S368 | N305-L307 PolarHBondContact O-N 3.23Å; L307-V309 PolarHBondContact O-N 2.88Å; L307-N310 WeakPolarHBondContact O-CB 3.22Å; L307-N310 PolarHBondContact O-N 2.99Å; L307-S368 WeakPolarHBondContact CA-O 2.96Å |
| 308 | Y | 70.9 | Confident | 62.6 | Low | 4 Ų | 4 | 103.1 Ų | 103.1 | 2% | 0.016 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -58.3 | -31.9 | 178 | 178.8 | -94.6 | 0 | 0 | 0 | 113.5 | N310 L311 Q316 L359 W362 A363 S368 L370 L373 | Y308-N310 PolarHBondContact O-N 3.41Å; Y308-L311 HydrophobicContact CE2-CD2 4.26Å; Y308-L311 VanDerWaalsContact O-CB 3.23Å; Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 2.04Å; Y308-Q316 HydrophobicContact CE1-CG 4.19Å; Y308-Q316 HydrophobicContact CE2-CG 4.45Å; Y308-Q316 PolarHBondContact O-NE2 3.46Å; Y308-L359 HydrophobicContact CE1-CB 3.97Å; Y308-L359 WeakPolarHBondContact OH-CD1 3.29Å; Y308-W362 HydrophobicContact CG-CZ3 4.1Å; Y308-A363 HydrophobicContact CD1-CB 3.73Å; Y308-A363 HydrophobicContact CE1-CB 4.49Å; Y308-S368 PolarHBondContact N-O 3.02Å; Y308-S368 VanDerWaalsContact N-O 3.16Å; Y308-L370 HydrophobicContact CD2-CD2 3.85Å; Y308-L370 HydrophobicContact CG-CD2 4.47Å; Y308-L373 HydrophobicContact CD2-CD2 3.3Å; Y308-L373 HydrophobicContact CE2-CD2 3.51Å; Y308-L373 HydrophobicContact CG-CD2 4.3Å |
| 309 | V | 71.9 | Confident | 65 | Low | 87 Ų | 87 | 93.6 Ų | 93.6 | 53% | 0.527 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -57.8 | -28.2 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | L307 L311 A363 | L307-V309 PolarHBondContact O-N 2.88Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.08Å; V309-A363 HydrophobicContact CG2-CB 3.71Å |
| 310 | N | 69.3 | Low | 67 | Low | 95 Ų | 95 | 83.4 Ų | 83.4 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -88.8 | 10.8 | -179.3 | -64.6 | -52.5 | 0 | 0 | 0 | 113.3 | R306 L307 Y308 | R306-N310 HydrophobicContact CG-CB 4.32Å; R306-N310 PolarHBondContact NE-O 2.95Å; R306-N310 PolarHBondContact NH2-O 3.24Å; L307-N310 WeakPolarHBondContact O-CB 3.22Å; L307-N310 PolarHBondContact O-N 2.99Å; Y308-N310 PolarHBondContact O-N 3.41Å |
| 311 | L | 75.2 | Confident | 69.3 | Low | 11 Ų | 11 | 81 Ų | 81 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -83.2 | 138.5 | 174.2 | -165.5 | 70.7 | 0 | 0 | 0 | 109.3 | Y308 V309 K315 Q316 L370 | Y308-L311 HydrophobicContact CE2-CD2 4.26Å; Y308-L311 VanDerWaalsContact O-CB 3.23Å; Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 2.04Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.08Å; L311-K315 HydrophobicContact CD1-CB 4.38Å; L311-K315 HydrophobicContact CD1-CD 3.96Å; L311-K315 HydrophobicContact CD2-CB 3.75Å; L311-K315 HydrophobicContact CG-CB 3.84Å; L311-K315 HydrophobicContact CG-CD 4.29Å; L311-Q316 HydrophobicContact CB-CG 4.03Å; L311-Q316 HydrophobicContact CD2-CG 4.04Å; L311-Q316 HydrophobicContact CG-CG 4.35Å; L311-Q316 PolarHBondContact O-NE2 3.21Å; L311-L370 HydrophobicContact CD1-CD1 4.29Å |
| 312 | P | 76.3 | Confident | 70.8 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 29% | 0.286 | 38% | 0.376 | S | S | . | . | trans | -54.9 | 142.2 | 175.5 | -26.6 | 34.8 | 0 | 0 | 0 | 112.4 | H314 K315 Q316 | P312-H314 VanDerWaalsContact C-N 3.29Å; P312-H314 WeakPolarHBondContact CB-CE1 3.07Å; P312-H314 WeakPolarHBondContact CB-ND1 3.26Å; P312-H314 PolarHBondContact O-N 3Å; P312-K315 WeakPolarHBondContact O-CB 3.48Å; P312-K315 PolarHBondContact O-N 3.02Å; P312-Q316 PolarHBondContact O-N 3.34Å | ||
| 313 | P | 73.4 | Confident | 72.7 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.2 | -37.7 | -173.5 | 21.5 | -32.8 | 0 | 0 | 0 | 112.8 | K315 Q316 E317 | P313-K315 PolarHBondContact O-N 3.41Å; P313-K315 VanDerWaalsContact O-N 3.13Å; P313-Q316 PolarHBondContact O-N 2.82Å; P313-Q316 VanDerWaalsContact O-N 3.1Å; P313-E317 PolarHBondContact O-N 2.9Å |
| 314 | H | 71.1 | Confident | 74.1 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.7 | -25.8 | 176.2 | 67.7 | -95.1 | 0 | 0 | 0 | 113.9 | P312 E318 | P312-H314 VanDerWaalsContact C-N 3.29Å; P312-H314 WeakPolarHBondContact CB-CE1 3.07Å; P312-H314 WeakPolarHBondContact CB-ND1 3.26Å; P312-H314 PolarHBondContact O-N 3Å; H314-E318 PolarHBondContact O-N 3.49Å |
| 315 | K | 73.1 | Confident | 74.7 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -88.4 | -32.4 | 176.5 | -63.2 | -167.2 | 172.8 | -173.7 | 0 | 112.6 | L311 P312 P313 E317 E318 V319 S391 | L311-K315 HydrophobicContact CD1-CB 4.38Å; L311-K315 HydrophobicContact CD1-CD 3.96Å; L311-K315 HydrophobicContact CD2-CB 3.75Å; L311-K315 HydrophobicContact CG-CB 3.84Å; L311-K315 HydrophobicContact CG-CD 4.29Å; P312-K315 WeakPolarHBondContact O-CB 3.48Å; P312-K315 PolarHBondContact O-N 3.02Å; P313-K315 PolarHBondContact O-N 3.41Å; P313-K315 VanDerWaalsContact O-N 3.13Å; K315-E317 VanDerWaalsContact C-N 3.32Å; K315-E318 PolarHBondContact O-N 3.07Å; K315-V319 VanDerWaalsContact O-CG2 3.25Å; K315-V319 WeakPolarHBondContact O-CG2 3.22Å; K315-V319 PolarHBondContact O-N 2.8Å; K315-V319 VanDerWaalsContact O-N 3.09Å; K315-S391 PolarHBondContact NZ-O 3.49Å |
| 316 | Q | 78.1 | Confident | 74.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 173.2 | -67.8 | 176.2 | -15.9 | 0 | 0 | 109 | Y308 L311 P312 P313 E318 V319 E320 | Y308-Q316 HydrophobicContact CE1-CG 4.19Å; Y308-Q316 HydrophobicContact CE2-CG 4.45Å; Y308-Q316 PolarHBondContact O-NE2 3.46Å; L311-Q316 HydrophobicContact CB-CG 4.03Å; L311-Q316 HydrophobicContact CD2-CG 4.04Å; L311-Q316 HydrophobicContact CG-CG 4.35Å; L311-Q316 PolarHBondContact O-NE2 3.21Å; P312-Q316 PolarHBondContact O-N 3.34Å; P313-Q316 PolarHBondContact O-N 2.82Å; P313-Q316 VanDerWaalsContact O-N 3.1Å; Q316-E318 PolarHBondContact O-N 3.16Å; Q316-V319 PolarHBondContact O-N 2.99Å; Q316-E320 WeakPolarHBondContact O-CB 3.05Å; Q316-E320 WeakPolarHBondContact O-CG 3.21Å; Q316-E320 PolarHBondContact O-N 3.3Å |
| 317 | E | 79.4 | Confident | 74.1 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 176.5 | -169.3 | 174.3 | -168.7 | 0 | 0 | 112.6 | P313 K315 V319 E320 R321 | P313-E317 PolarHBondContact O-N 2.9Å; K315-E317 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3Å; E317-E320 PolarHBondContact O-N 2.8Å; E317-R321 VanDerWaalsContact O-CB 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.34Å; E317-R321 PolarHBondContact O-N 3.18Å |
| 318 | E | 80.1 | Confident | 73.6 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 177.4 | -176.6 | 61.4 | -174.1 | 0 | 0 | 112.6 | H314 K315 Q316 R321 L322 A388 | H314-E318 PolarHBondContact O-N 3.49Å; K315-E318 PolarHBondContact O-N 3.07Å; Q316-E318 PolarHBondContact O-N 3.16Å; E318-R321 VanDerWaalsContact CD-NH2 3.33Å; E318-R321 IonicContact OE1-CZ 2.67Å; E318-R321 IonicContact OE1-NE 2.86Å; E318-R321 IonicContact OE1-NH2 3.82Å; E318-R321 PolarHBondContact OE1-NH2 2.73Å; E318-R321 IonicContact OE2-CZ 2.79Å; E318-R321 IonicContact OE2-NE 3.04Å; E318-R321 PolarHBondContact OE2-NE 3.01Å; E318-R321 IonicContact OE2-NH2 3.92Å; E318-R321 PolarHBondContact OE2-NH2 3.31Å; E318-R321 VanDerWaalsContact OE2-NH2 3.08Å; E318-L322 HydrophobicContact CG-CD1 4.37Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 VanDerWaalsContact O-CG 3.23Å; E318-L322 WeakPolarHBondContact O-CG 3.03Å; E318-L322 PolarHBondContact O-N 3.28Å; E318-A388 HydrophobicContact CG-CB 4.34Å |
| 319 | V | 80 | Confident | 73.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | K315 Q316 E317 L322 L323 L359 A388 I389 | K315-V319 VanDerWaalsContact O-CG2 3.25Å; K315-V319 WeakPolarHBondContact O-CG2 3.22Å; K315-V319 PolarHBondContact O-N 2.8Å; K315-V319 VanDerWaalsContact O-N 3.09Å; Q316-V319 PolarHBondContact O-N 2.99Å; E317-V319 PolarHBondContact O-N 3Å; V319-L322 PolarHBondContact O-N 2.69Å; V319-L323 HydrophobicContact CG1-CD1 3.89Å; V319-L323 WeakPolarHBondContact O-CB 3.44Å; V319-L323 WeakPolarHBondContact O-CD1 3.47Å; V319-L323 VanDerWaalsContact O-CG 3.24Å; V319-L323 WeakPolarHBondContact O-CG 3.04Å; V319-L323 PolarHBondContact O-N 2.8Å; V319-L323 VanDerWaalsContact O-N 3.1Å; V319-L359 HydrophobicContact CG1-CD1 4.09Å; V319-A388 HydrophobicContact CG2-CB 3.93Å; V319-I389 HydrophobicContact CG2-CD1 4.3Å; V319-I389 HydrophobicContact CG2-CG1 3.63Å |
| 320 | E | 85.6 | Confident | 73.8 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.8 | -72.9 | 167.6 | -172 | 0 | 0 | 111.5 | Q316 E317 L323 Q324 A355 H356 L359 | Q316-E320 WeakPolarHBondContact O-CB 3.05Å; Q316-E320 WeakPolarHBondContact O-CG 3.21Å; Q316-E320 PolarHBondContact O-N 3.3Å; E317-E320 PolarHBondContact O-N 2.8Å; E320-L323 PolarHBondContact O-N 3.38Å; E320-Q324 WeakPolarHBondContact O-CB 3.29Å; E320-Q324 PolarHBondContact O-N 2.98Å; E320-A355 HydrophobicContact CB-CB 4.5Å; E320-H356 HydrophobicContact CG-CB 4.34Å; E320-H356 IonicContact OE1-CE1 2.66Å; E320-H356 IonicContact OE1-CG 2.93Å; E320-H356 IonicContact OE1-ND1 3.98Å; E320-H356 PolarHBondContact OE1-ND1 2.92Å; E320-H356 WeakPolarHBondContact OE2-CB 3.03Å; E320-H356 IonicContact OE2-CG 3.81Å; E320-H356 IonicContact OE2-ND1 3.64Å; E320-H356 PolarHBondContact OE2-ND1 2.93Å; E320-L359 HydrophobicContact CG-CD1 3.81Å |
| 321 | R | 81.3 | Confident | 74.4 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 176.3 | -170.6 | 179.5 | 74.2 | 88.3 | -1.1 | 111.8 | E317 E318 L323 Q324 E325 | E317-R321 VanDerWaalsContact O-CB 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.34Å; E317-R321 PolarHBondContact O-N 3.18Å; E318-R321 VanDerWaalsContact CD-NH2 3.33Å; E318-R321 IonicContact OE1-CZ 2.67Å; E318-R321 IonicContact OE1-NE 2.86Å; E318-R321 IonicContact OE1-NH2 3.82Å; E318-R321 PolarHBondContact OE1-NH2 2.73Å; E318-R321 IonicContact OE2-CZ 2.79Å; E318-R321 IonicContact OE2-NE 3.04Å; E318-R321 PolarHBondContact OE2-NE 3.01Å; E318-R321 IonicContact OE2-NH2 3.92Å; E318-R321 PolarHBondContact OE2-NH2 3.31Å; E318-R321 VanDerWaalsContact OE2-NH2 3.08Å; R321-L323 PolarHBondContact O-N 2.87Å; R321-Q324 PolarHBondContact O-N 3.47Å; R321-Q324 VanDerWaalsContact O-N 3.12Å; R321-E325 HydrophobicContact CG-CG 4.41Å; R321-E325 WeakPolarHBondContact CG-OE1 3.34Å; R321-E325 IonicContact CZ-OE1 3.34Å; R321-E325 IonicContact NH1-OE1 2.76Å; R321-E325 PolarHBondContact NH1-OE1 3.04Å; R321-E325 IonicContact NH1-OE2 3.73Å; R321-E325 PolarHBondContact NH1-OE2 2.67Å; R321-E325 PolarHBondContact O-N 2.96Å |
| 322 | L | 80.4 | Confident | 74.9 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -31.4 | 177.3 | -72 | 172.1 | 0 | 0 | 0 | 113 | E318 V319 R382 A388 | E318-L322 HydrophobicContact CG-CD1 4.37Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 VanDerWaalsContact O-CG 3.23Å; E318-L322 WeakPolarHBondContact O-CG 3.03Å; E318-L322 PolarHBondContact O-N 3.28Å; V319-L322 PolarHBondContact O-N 2.69Å; L322-R382 PolarHBondContact O-NH1 2.04Å; L322-R382 PolarHBondContact O-NH2 3.22Å; L322-A388 HydrophobicContact CD1-CB 4.13Å |
| 323 | L | 80.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82.5 | -23.2 | 177.4 | -70.9 | 168.3 | 0 | 0 | 0 | 113.3 | V319 E320 R321 G330 W331 L334 A355 L359 L377 I380 | V319-L323 HydrophobicContact CG1-CD1 3.89Å; V319-L323 WeakPolarHBondContact O-CB 3.44Å; V319-L323 WeakPolarHBondContact O-CD1 3.47Å; V319-L323 VanDerWaalsContact O-CG 3.24Å; V319-L323 WeakPolarHBondContact O-CG 3.04Å; V319-L323 PolarHBondContact O-N 2.8Å; V319-L323 VanDerWaalsContact O-N 3.1Å; E320-L323 PolarHBondContact O-N 3.38Å; R321-L323 PolarHBondContact O-N 2.87Å; L323-G330 VanDerWaalsContact O-CA 3.25Å; L323-G330 WeakPolarHBondContact O-CA 3.23Å; L323-W331 HydrophobicContact CB-CB 4.34Å; L323-W331 PolarHBondContact O-N 3.07Å; L323-L334 HydrophobicContact CD1-CD2 3.48Å; L323-L334 VanDerWaalsContact CD1-CD2 3.48Å; L323-L334 HydrophobicContact CD2-CD2 4.06Å; L323-L334 HydrophobicContact CG-CD2 4.44Å; L323-A355 HydrophobicContact CB-CB 4.12Å; L323-L359 HydrophobicContact CD1-CD1 3.89Å; L323-L377 HydrophobicContact CD2-CD2 4.12Å; L323-I380 HydrophobicContact CD2-CD1 4.44Å |
| 324 | Q | 77.8 | Confident | 75.7 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.6 | -41.3 | 178.9 | -168.5 | 67.8 | 20 | 0 | 0 | 112.2 | E320 R321 A326 A355 | E320-Q324 WeakPolarHBondContact O-CB 3.29Å; E320-Q324 PolarHBondContact O-N 2.98Å; R321-Q324 PolarHBondContact O-N 3.47Å; R321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-A326 VanDerWaalsContact C-N 3.25Å; Q324-A326 PolarHBondContact O-N 2.97Å; Q324-A355 HydrophobicContact CB-CB 4.47Å |
| 325 | E | 67.9 | Low | 76.3 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -73.5 | -12.8 | -178.1 | -72.5 | 175.1 | -170.6 | 0 | 0 | 113.6 | R321 S327 | R321-E325 HydrophobicContact CG-CG 4.41Å; R321-E325 WeakPolarHBondContact CG-OE1 3.34Å; R321-E325 IonicContact CZ-OE1 3.34Å; R321-E325 IonicContact NH1-OE1 2.76Å; R321-E325 PolarHBondContact NH1-OE1 3.04Å; R321-E325 IonicContact NH1-OE2 3.73Å; R321-E325 PolarHBondContact NH1-OE2 2.67Å; R321-E325 PolarHBondContact O-N 2.96Å; E325-S327 PolarHBondContact O-N 2.84Å |
| 326 | A | 60.7 | Low | 76.8 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | trans | -87.9 | 104.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q324 G328 | Q324-A326 VanDerWaalsContact C-N 3.25Å; Q324-A326 PolarHBondContact O-N 2.97Å; A326-G328 PolarHBondContact O-N 3.48Å | ||
| 327 | S | 53.8 | Low | 77.1 | Confident | 138 Ų | 138 | 58.4 Ų | 58.4 | 97% | 0.965 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -64.4 | 12.9 | -179.2 | -47 | 0 | 0 | 0 | 0 | 116.9 | E325 | E325-S327 PolarHBondContact O-N 2.84Š|
| 328 | G | 59.6 | Low | 77.2 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -147.1 | -54.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A326 H333 | A326-G328 PolarHBondContact O-N 3.48Å; G328-H333 PolarHBondContact O-CE1 3.45Å; G328-H333 PolarHBondContact O-ND1 2.8Å |
| 329 | R | 67.6 | Low | 77.3 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -120.8 | 59.9 | 179.7 | -64.3 | -172.7 | -66.7 | -136.4 | 8.4 | 110.7 | I380 E381 R382 | R329-I380 WeakPolarHBondContact CD-O 3.25Å; R329-I380 PolarHBondContact NE-O 3.31Å; R329-I380 VanDerWaalsContact NE-O 3.12Å; R329-E381 IonicContact CZ-OE2 3.41Å; R329-E381 IonicContact NH1-OE2 3.08Å; R329-E381 PolarHBondContact NH1-OE2 3.19Å; R329-E381 PolarHBondContact NH2-O 3.48Å; R329-E381 IonicContact NH2-OE2 3.25Å; R329-E381 PolarHBondContact NH2-OE2 3.28Å; R329-E381 VanDerWaalsContact NH2-OE2 3.07Å; R329-R382 HydrophobicContact CB-CG 4.48Å; R329-R382 PolarHBondContact O-NH1 3.25Å |
| 330 | G | 78.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | -83.9 | -166.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L323 R332 H333 L334 | L323-G330 VanDerWaalsContact O-CA 3.25Å; L323-G330 WeakPolarHBondContact O-CA 3.23Å; G330-R332 PolarHBondContact O-N 3.43Å; G330-H333 PolarHBondContact O-N 3.1Å; G330-L334 PolarHBondContact O-N 3.12Å | ||
| 331 | W | 83.2 | Confident | 77.3 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50.5 | -31.3 | -175.7 | 65.8 | -91.3 | 0 | 0 | 0 | 115.2 | L323 H333 L334 G335 L345 F348 P354 A355 L358 | L323-W331 HydrophobicContact CB-CB 4.34Å; L323-W331 PolarHBondContact O-N 3.07Å; W331-H333 PolarHBondContact O-N 3.25Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 3.23Å; W331-G335 PolarHBondContact O-N 2.95Å; W331-L345 VanDerWaalsContact CH2-O 3.24Å; W331-L345 WeakPolarHBondContact CH2-O 3.45Å; W331-L345 HydrophobicContact CZ3-CB 4.38Å; W331-L345 HydrophobicContact CZ3-CD2 4.31Å; W331-F348 HydrophobicContact CH2-CB 4.35Å; W331-F348 HydrophobicContact CZ3-CB 3.98Å; W331-P354 HydrophobicContact CD2-CB 3.73Å; W331-P354 HydrophobicContact CE3-CB 4.2Å; W331-P354 HydrophobicContact CG-CB 4.32Å; W331-P354 HydrophobicContact CH2-CB 3.85Å; W331-P354 HydrophobicContact CZ2-CB 3.35Å; W331-P354 HydrophobicContact CZ2-CG 4.07Å; W331-P354 HydrophobicContact CZ3-CB 4.25Å; W331-A355 HydrophobicContact CB-CB 3.8Å; W331-A355 HydrophobicContact CG-CB 4.21Å; W331-L358 HydrophobicContact CB-CD2 4.36Å; W331-L358 WeakPolarHBondContact O-CD2 3.47Å |
| 332 | R | 84.3 | Confident | 77.3 | Confident | 115 Ų | 115 | 55.6 Ų | 55.6 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 177 | -74.2 | -173.7 | 152 | -150.7 | -16.2 | 113.1 | G330 L334 G335 A336 D346 | G330-R332 PolarHBondContact O-N 3.43Å; R332-L334 VanDerWaalsContact C-N 3.32Å; R332-G335 PolarHBondContact O-N 2.91Å; R332-A336 PolarHBondContact O-N 3.17Å; R332-D346 IonicContact CZ-OD1 2.7Å; R332-D346 IonicContact NH1-OD1 2.8Å; R332-D346 IonicContact NH2-OD1 3.19Å; R332-D346 PolarHBondContact NH2-OD1 2.85Å |
| 333 | H | 83.8 | Confident | 77.3 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 179.3 | -68.4 | 83.3 | 0 | 0 | 0 | 111 | G328 G330 W331 A337 I380 | G328-H333 PolarHBondContact O-CE1 3.45Å; G328-H333 PolarHBondContact O-ND1 2.8Å; G330-H333 PolarHBondContact O-N 3.1Å; W331-H333 PolarHBondContact O-N 3.25Å; H333-A337 WeakPolarHBondContact O-CB 3.25Å; H333-A337 PolarHBondContact O-N 2.86Å; H333-I380 HydrophobicContact CB-CG2 4.11Å |
| 334 | L | 84.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 172.3 | -177.4 | 58.2 | 0 | 0 | 0 | 111.1 | L323 G330 W331 R332 A336 A337 L338 L358 L359 L373 A376 L377 I380 | L323-L334 HydrophobicContact CD1-CD2 3.48Å; L323-L334 VanDerWaalsContact CD1-CD2 3.48Å; L323-L334 HydrophobicContact CD2-CD2 4.06Å; L323-L334 HydrophobicContact CG-CD2 4.44Å; G330-L334 PolarHBondContact O-N 3.12Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 3.23Å; R332-L334 VanDerWaalsContact C-N 3.32Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.16Å; L334-A337 CarbonylContact O-C 3.47Å; L334-A337 WeakPolarHBondContact O-CA 3.24Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 3.07Å; L334-A337 VanDerWaalsContact O-N 3.08Å; L334-L338 HydrophobicContact CD1-CD1 4.11Å; L334-L338 HydrophobicContact CD1-CG 4.14Å; L334-L338 HydrophobicContact CD2-CD1 4.5Å; L334-L338 HydrophobicContact CG-CD1 3.85Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.12Å; L334-L358 HydrophobicContact CB-CD2 4.42Å; L334-L358 HydrophobicContact CD2-CD2 4.47Å; L334-L358 HydrophobicContact CG-CD2 4.41Å; L334-L359 HydrophobicContact CD2-CD2 3.97Å; L334-L373 HydrophobicContact CD1-CD1 4.23Å; L334-L373 HydrophobicContact CD2-CD1 4.14Å; L334-A376 HydrophobicContact CD1-CB 3.85Å; L334-L377 HydrophobicContact CD1-CD2 3.82Å; L334-L377 HydrophobicContact CD1-CG 4.05Å; L334-L377 HydrophobicContact CD2-CD2 3.89Å; L334-L377 HydrophobicContact CG-CD2 4.42Å; L334-I380 HydrophobicContact CB-CD1 4Å; L334-I380 HydrophobicContact CD1-CD1 4.24Å |
| 335 | G | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W331 R332 A337 L338 G339 Y340 | W331-G335 PolarHBondContact O-N 2.95Å; R332-G335 PolarHBondContact O-N 2.91Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 2.67Å; G335-L338 CarbonylContact O-C 3.55Å; G335-L338 PolarHBondContact O-N 3.03Å; G335-G339 PolarHBondContact O-N 3.24Å; G335-Y340 WeakPolarHBondContact O-CB 3.43Å; G335-Y340 WeakPolarHBondContact O-CD2 3.37Å; G335-Y340 PolarHBondContact O-N 3.3Å |
| 336 | A | 84.1 | Confident | 78.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R332 L334 L338 G339 L345 | R332-A336 PolarHBondContact O-N 3.17Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.16Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.36Å; A336-G339 PolarHBondContact O-N 3.47Å; A336-L345 HydrophobicContact CB-CD1 4.38Å |
| 337 | A | 82.9 | Confident | 79.2 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -27.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | H333 L334 G335 G339 A376 R379 I380 | H333-A337 WeakPolarHBondContact O-CB 3.25Å; H333-A337 PolarHBondContact O-N 2.86Å; L334-A337 CarbonylContact O-C 3.47Å; L334-A337 WeakPolarHBondContact O-CA 3.24Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 3.07Å; L334-A337 VanDerWaalsContact O-N 3.08Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 2.67Å; A337-G339 VanDerWaalsContact C-N 3.32Å; A337-A376 HydrophobicContact CB-CB 4.11Å; A337-R379 PolarHBondContact O-NH1 3.44Å; A337-I380 HydrophobicContact CB-CG2 4.04Å |
| 338 | L | 82.4 | Confident | 80.5 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.3 | 175.9 | -65.6 | 173.3 | 0 | 0 | 0 | 113.4 | L334 G335 A336 Y340 W362 L373 A376 | L334-L338 HydrophobicContact CD1-CD1 4.11Å; L334-L338 HydrophobicContact CD1-CG 4.14Å; L334-L338 HydrophobicContact CD2-CD1 4.5Å; L334-L338 HydrophobicContact CG-CD1 3.85Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.12Å; G335-L338 CarbonylContact O-C 3.55Å; G335-L338 PolarHBondContact O-N 3.03Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.36Å; L338-Y340 HydrophobicContact CB-CD2 4.09Å; L338-Y340 HydrophobicContact CB-CE2 4.22Å; L338-W362 HydrophobicContact CD1-CB 4.45Å; L338-W362 HydrophobicContact CD1-CD2 4.14Å; L338-W362 HydrophobicContact CD1-CG 3.9Å; L338-W362 HydrophobicContact CD2-CD2 4.47Å; L338-W362 HydrophobicContact CD2-CZ2 4.13Å; L338-L373 HydrophobicContact CD1-CD1 4.36Å; L338-A376 HydrophobicContact CD2-CB 3.62Å; L338-A376 HydrophobicContact CG-CB 4.2Å |
| 339 | G | 81.7 | Confident | 81.4 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 29.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G335 A336 A337 | G335-G339 PolarHBondContact O-N 3.24Å; A336-G339 PolarHBondContact O-N 3.47Å; A337-G339 VanDerWaalsContact C-N 3.32Å |
| 340 | Y | 83.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | trans | -86.8 | 137.4 | 167.7 | -73.1 | -94.7 | 0 | 0 | 0 | 110.8 | G335 L338 Q344 L345 F348 L358 N361 W362 R365 | G335-Y340 WeakPolarHBondContact O-CB 3.43Å; G335-Y340 WeakPolarHBondContact O-CD2 3.37Å; G335-Y340 PolarHBondContact O-N 3.3Å; L338-Y340 HydrophobicContact CB-CD2 4.09Å; L338-Y340 HydrophobicContact CB-CE2 4.22Å; Y340-Q344 HydrophobicContact CD1-CB 4.24Å; Y340-L345 HydrophobicContact CG-CD2 4.4Å; Y340-F348 AromaticContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CZ 4.31Å; Y340-F348 AromaticContact CE1-CE2 3.73Å; Y340-F348 HydrophobicContact CE1-CE2 3.73Å; Y340-F348 AromaticContact CE1-CZ 3.95Å; Y340-F348 HydrophobicContact CE1-CZ 3.95Å; Y340-L358 HydrophobicContact CD2-CD1 4.2Å; Y340-L358 HydrophobicContact CE2-CD1 4.32Å; Y340-L358 HydrophobicContact CG-CD1 4.44Å; Y340-N361 WeakPolarHBondContact CE1-OD1 3.34Å; Y340-N361 PolarHBondContact OH-OD1 3.14Å; Y340-W362 HydrophobicContact CE2-CB 4.17Å; Y340-W362 HydrophobicContact CE2-CG 4.49Å; Y340-W362 WeakPolarHBondContact OH-CA 3.21Å; Y340-W362 WeakPolarHBondContact OH-CB 3.07Å; Y340-W362 PolarHBondContact OH-N 2.93Å; Y340-W362 VanDerWaalsContact OH-N 3.15Å; Y340-R365 PolarHBondContact OH-NE 3.1Å | ||
| 341 | E | 82.8 | Confident | 81.7 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | trans | -71 | 151 | 173.3 | -65.7 | -57.1 | 145.6 | 0 | 0 | 111 | E343 Q344 L345 | E341-E343 PolarHBondContact O-N 3.38Å; E341-Q344 HydrophobicContact CB-CG 4.49Å; E341-Q344 WeakPolarHBondContact O-CB 3.16Å; E341-Q344 PolarHBondContact O-N 2.76Å; E341-L345 PolarHBondContact O-N 3Å | ||
| 342 | P | 79.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 47% | 0.468 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -32.8 | -176.1 | 21.8 | -31 | 0 | 0 | 0 | 113.1 | Q344 L345 D346 | P342-Q344 VanDerWaalsContact C-N 3.32Å; P342-Q344 PolarHBondContact O-N 3.15Å; P342-L345 PolarHBondContact O-N 3.14Å; P342-D346 PolarHBondContact O-N 3.42Å |
| 343 | E | 80.6 | Confident | 81.1 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.8 | -33.2 | 178.1 | -59.6 | 74.3 | -160.8 | 0 | 0 | 112.2 | E341 L347 | E341-E343 PolarHBondContact O-N 3.38Å; E343-L347 PolarHBondContact O-N 3.02Å |
| 344 | Q | 80.6 | Confident | 81.1 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72 | -36.9 | 175.6 | -61.7 | -175.3 | -45.4 | 0 | 0 | 110.9 | Y340 E341 P342 D346 L347 F348 | Y340-Q344 HydrophobicContact CD1-CB 4.24Å; E341-Q344 HydrophobicContact CB-CG 4.49Å; E341-Q344 WeakPolarHBondContact O-CB 3.16Å; E341-Q344 PolarHBondContact O-N 2.76Å; P342-Q344 VanDerWaalsContact C-N 3.32Å; P342-Q344 PolarHBondContact O-N 3.15Å; Q344-D346 VanDerWaalsContact C-N 3.32Å; Q344-L347 PolarHBondContact O-N 3.37Å; Q344-F348 HydrophobicContact CB-CE2 4.36Å; Q344-F348 WeakPolarHBondContact O-CD2 3.2Å; Q344-F348 WeakPolarHBondContact O-CG 3.43Å; Q344-F348 PolarHBondContact O-N 3.38Å |
| 345 | L | 81.8 | Confident | 81 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 175.8 | -60.2 | 175.5 | 0 | 0 | 0 | 111.9 | W331 A336 Y340 E341 P342 L347 F348 G349 L358 | W331-L345 VanDerWaalsContact CH2-O 3.24Å; W331-L345 WeakPolarHBondContact CH2-O 3.45Å; W331-L345 HydrophobicContact CZ3-CB 4.38Å; W331-L345 HydrophobicContact CZ3-CD2 4.31Å; A336-L345 HydrophobicContact CB-CD1 4.38Å; Y340-L345 HydrophobicContact CG-CD2 4.4Å; E341-L345 PolarHBondContact O-N 3Å; P342-L345 PolarHBondContact O-N 3.14Å; L345-L347 VanDerWaalsContact C-N 3.33Å; L345-F348 HydrophobicContact CD2-CD2 4.26Å; L345-F348 PolarHBondContact O-N 3.22Å; L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.07Å; L345-L358 HydrophobicContact CD2-CD1 3.56Å |
| 346 | D | 82.6 | Confident | 81 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 173.6 | -76.1 | -22.6 | 0 | 0 | 0 | 112.6 | R332 P342 Q344 G349 | R332-D346 IonicContact CZ-OD1 2.7Å; R332-D346 IonicContact NH1-OD1 2.8Å; R332-D346 IonicContact NH2-OD1 3.19Å; R332-D346 PolarHBondContact NH2-OD1 2.85Å; P342-D346 PolarHBondContact O-N 3.42Å; Q344-D346 VanDerWaalsContact C-N 3.32Å; D346-G349 PolarHBondContact O-N 3.27Å |
| 347 | L | 81.6 | Confident | 81.1 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.6 | -43.6 | 174.1 | -70.2 | 168.2 | 0 | 0 | 0 | 111.9 | E343 Q344 L345 G349 R350 | E343-L347 PolarHBondContact O-N 3.02Å; Q344-L347 PolarHBondContact O-N 3.37Å; L345-L347 VanDerWaalsContact C-N 3.33Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 3.05Å; L347-R350 PolarHBondContact O-N 3.33Å |
| 348 | F | 82.1 | Confident | 81.2 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -31.3 | 176.7 | -58.6 | -42 | 0 | 0 | 0 | 112.8 | W331 Y340 Q344 L345 R350 G351 T357 L358 N361 | W331-F348 HydrophobicContact CH2-CB 4.35Å; W331-F348 HydrophobicContact CZ3-CB 3.98Å; Y340-F348 AromaticContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CZ 4.31Å; Y340-F348 AromaticContact CE1-CE2 3.73Å; Y340-F348 HydrophobicContact CE1-CE2 3.73Å; Y340-F348 AromaticContact CE1-CZ 3.95Å; Y340-F348 HydrophobicContact CE1-CZ 3.95Å; Q344-F348 HydrophobicContact CB-CE2 4.36Å; Q344-F348 WeakPolarHBondContact O-CD2 3.2Å; Q344-F348 WeakPolarHBondContact O-CG 3.43Å; Q344-F348 PolarHBondContact O-N 3.38Å; L345-F348 HydrophobicContact CD2-CD2 4.26Å; L345-F348 PolarHBondContact O-N 3.22Å; F348-R350 PolarHBondContact O-N 3.42Å; F348-G351 PolarHBondContact O-N 2.7Å; F348-T357 HydrophobicContact CD1-CG2 3.59Å; F348-T357 HydrophobicContact CE1-CG2 4.17Å; F348-T357 HydrophobicContact CG-CG2 4.37Å; F348-L358 HydrophobicContact CD2-CD1 3.83Å; F348-L358 HydrophobicContact CE2-CD1 4.02Å; F348-N361 HydrophobicContact CE1-CB 4.36Å; F348-N361 HydrophobicContact CZ-CB 4.16Å |
| 349 | G | 77.6 | Confident | 81.2 | Confident | 34 Ų | 34 | 65 Ų | 65 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L345 D346 L347 G351 | L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.07Å; D346-G349 PolarHBondContact O-N 3.27Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 3.05Å; G349-G351 VanDerWaalsContact C-N 3.34Å |
| 350 | R | 79.1 | Confident | 81.3 | Confident | 211 Ų | 211 | 64.5 Ų | 64.5 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.1 | 176.8 | -65 | 178.5 | -173.2 | -154.9 | 1.1 | 113.3 | L347 F348 | L347-R350 PolarHBondContact O-N 3.33Å; F348-R350 PolarHBondContact O-N 3.42Å |
| 351 | G | 73.2 | Confident | 81.4 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -86.9 | 164.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F348 G349 A353 | F348-G351 PolarHBondContact O-N 2.7Å; G349-G351 VanDerWaalsContact C-N 3.34Å; G351-A353 VanDerWaalsContact C-N 3.32Å; G351-A353 PolarHBondContact O-N 3.39Å |
| 352 | E | 73.5 | Confident | 81.4 | Confident | 202 Ų | 202 | 62 Ų | 62 | 94% | 0.944 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -69.1 | -27.5 | -178 | -161.2 | 169 | -169.1 | 0 | 0 | 113 | ||
| 353 | A | 81.9 | Confident | 81.5 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | trans | -132.2 | 82.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G351 A355 H356 T357 | G351-A353 VanDerWaalsContact C-N 3.32Å; G351-A353 PolarHBondContact O-N 3.39Å; A353-A355 PolarHBondContact O-N 2.94Å; A353-H356 HydrophobicContact CB-CB 3.87Å; A353-H356 PolarHBondContact O-N 3.35Å; A353-T357 WeakPolarHBondContact O-CB 3.28Å; A353-T357 PolarHBondContact O-N 3.01Å; A353-T357 PolarHBondContact O-OG1 2.8Å | ||
| 354 | P | 82.8 | Confident | 81.4 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | -176.7 | -25.9 | 35.8 | 0 | 0 | 0 | 114.5 | W331 T357 L358 | W331-P354 HydrophobicContact CD2-CB 3.73Å; W331-P354 HydrophobicContact CE3-CB 4.2Å; W331-P354 HydrophobicContact CG-CB 4.32Å; W331-P354 HydrophobicContact CH2-CB 3.85Å; W331-P354 HydrophobicContact CZ2-CB 3.35Å; W331-P354 HydrophobicContact CZ2-CG 4.07Å; W331-P354 HydrophobicContact CZ3-CB 4.25Å; P354-T357 PolarHBondContact O-N 2.98Å; P354-L358 WeakPolarHBondContact O-CB 3.45Å; P354-L358 PolarHBondContact O-N 3.38Å |
| 355 | A | 83.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E320 L323 Q324 W331 A353 L358 L359 | E320-A355 HydrophobicContact CB-CB 4.5Å; L323-A355 HydrophobicContact CB-CB 4.12Å; Q324-A355 HydrophobicContact CB-CB 4.47Å; W331-A355 HydrophobicContact CB-CB 3.8Å; W331-A355 HydrophobicContact CG-CB 4.21Å; A353-A355 PolarHBondContact O-N 2.94Å; A355-L358 PolarHBondContact O-N 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.48Å; A355-L359 PolarHBondContact O-N 2.76Å; A355-L359 VanDerWaalsContact O-N 3.08Å |
| 356 | H | 83.8 | Confident | 80.3 | Confident | 85 Ų | 85 | 71 Ų | 71 | 39% | 0.394 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.4 | 179.3 | 69.5 | 0 | 0 | 0 | 111.8 | E320 A353 L358 L359 S360 | E320-H356 HydrophobicContact CG-CB 4.34Å; E320-H356 IonicContact OE1-CE1 2.66Å; E320-H356 IonicContact OE1-CG 2.93Å; E320-H356 IonicContact OE1-ND1 3.98Å; E320-H356 PolarHBondContact OE1-ND1 2.92Å; E320-H356 WeakPolarHBondContact OE2-CB 3.03Å; E320-H356 IonicContact OE2-CG 3.81Å; E320-H356 IonicContact OE2-ND1 3.64Å; E320-H356 PolarHBondContact OE2-ND1 2.93Å; A353-H356 HydrophobicContact CB-CB 3.87Å; A353-H356 PolarHBondContact O-N 3.35Å; H356-L358 PolarHBondContact O-N 2.05Å; H356-L359 PolarHBondContact O-N 3.36Å; H356-S360 PolarHBondContact CE1-OG 3.5Å; H356-S360 WeakPolarHBondContact O-CB 3.35Å; H356-S360 PolarHBondContact O-N 2.89Å; H356-S360 PolarHBondContact O-OG 3.49Å |
| 357 | T | 84.9 | Confident | 79.5 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | -179.7 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | F348 A353 P354 N361 | F348-T357 HydrophobicContact CD1-CG2 3.59Å; F348-T357 HydrophobicContact CE1-CG2 4.17Å; F348-T357 HydrophobicContact CG-CG2 4.37Å; A353-T357 WeakPolarHBondContact O-CB 3.28Å; A353-T357 PolarHBondContact O-N 3.01Å; A353-T357 PolarHBondContact O-OG1 2.8Å; P354-T357 PolarHBondContact O-N 2.98Å; T357-N361 VanDerWaalsContact O-CB 3.26Å; T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.9Å |
| 358 | L | 85.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 176.6 | -178.7 | 90.1 | 0 | 0 | 0 | 111.6 | W331 L334 Y340 L345 F348 P354 A355 H356 N361 W362 | W331-L358 HydrophobicContact CB-CD2 4.36Å; W331-L358 WeakPolarHBondContact O-CD2 3.47Å; L334-L358 HydrophobicContact CB-CD2 4.42Å; L334-L358 HydrophobicContact CD2-CD2 4.47Å; L334-L358 HydrophobicContact CG-CD2 4.41Å; Y340-L358 HydrophobicContact CD2-CD1 4.2Å; Y340-L358 HydrophobicContact CE2-CD1 4.32Å; Y340-L358 HydrophobicContact CG-CD1 4.44Å; L345-L358 HydrophobicContact CD2-CD1 3.56Å; F348-L358 HydrophobicContact CD2-CD1 3.83Å; F348-L358 HydrophobicContact CE2-CD1 4.02Å; P354-L358 WeakPolarHBondContact O-CB 3.45Å; P354-L358 PolarHBondContact O-N 3.38Å; A355-L358 PolarHBondContact O-N 3.49Å; H356-L358 PolarHBondContact O-N 2.05Å; L358-N361 PolarHBondContact O-N 3.44Å; L358-W362 VanDerWaalsContact O-CB 3.32Å; L358-W362 WeakPolarHBondContact O-CB 3.25Å; L358-W362 PolarHBondContact O-N 3.39Å |
| 359 | L | 83.5 | Confident | 79 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | -176.2 | -70.9 | 176.2 | 0 | 0 | 0 | 111.7 | Y308 V319 E320 L323 L334 A355 H356 W362 A363 L373 | Y308-L359 HydrophobicContact CE1-CB 3.97Å; Y308-L359 WeakPolarHBondContact OH-CD1 3.29Å; V319-L359 HydrophobicContact CG1-CD1 4.09Å; E320-L359 HydrophobicContact CG-CD1 3.81Å; L323-L359 HydrophobicContact CD1-CD1 3.89Å; L334-L359 HydrophobicContact CD2-CD2 3.97Å; A355-L359 WeakPolarHBondContact O-CG 3.48Å; A355-L359 PolarHBondContact O-N 2.76Å; A355-L359 VanDerWaalsContact O-N 3.08Å; H356-L359 PolarHBondContact O-N 3.36Å; L359-W362 PolarHBondContact O-N 2Å; L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.21Å; L359-L373 HydrophobicContact CD2-CD1 3.91Å |
| 360 | S | 82.8 | Confident | 78.9 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 173.9 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | H356 A363 Q364 | H356-S360 PolarHBondContact CE1-OG 3.5Å; H356-S360 WeakPolarHBondContact O-CB 3.35Å; H356-S360 PolarHBondContact O-N 2.89Å; H356-S360 PolarHBondContact O-OG 3.49Å; S360-A363 PolarHBondContact O-N 2.95Å; S360-Q364 WeakPolarHBondContact O-CG 3.27Å |
| 361 | N | 84.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.3 | -169.1 | -101.5 | 0 | 0 | 0 | 111.8 | Y340 F348 T357 L358 Q364 | Y340-N361 WeakPolarHBondContact CE1-OD1 3.34Å; Y340-N361 PolarHBondContact OH-OD1 3.14Å; F348-N361 HydrophobicContact CE1-CB 4.36Å; F348-N361 HydrophobicContact CZ-CB 4.16Å; T357-N361 VanDerWaalsContact O-CB 3.26Å; T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.9Å; L358-N361 PolarHBondContact O-N 3.44Å; N361-Q364 PolarHBondContact O-N 2.75Å |
| 362 | W | 83.3 | Confident | 78.8 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | 176.9 | 179.4 | 77.2 | 0 | 0 | 0 | 112.5 | Y308 L338 Y340 L358 L359 Q364 R365 S368 T369 L372 L373 | Y308-W362 HydrophobicContact CG-CZ3 4.1Å; L338-W362 HydrophobicContact CD1-CB 4.45Å; L338-W362 HydrophobicContact CD1-CD2 4.14Å; L338-W362 HydrophobicContact CD1-CG 3.9Å; L338-W362 HydrophobicContact CD2-CD2 4.47Å; L338-W362 HydrophobicContact CD2-CZ2 4.13Å; Y340-W362 HydrophobicContact CE2-CB 4.17Å; Y340-W362 HydrophobicContact CE2-CG 4.49Å; Y340-W362 WeakPolarHBondContact OH-CA 3.21Å; Y340-W362 WeakPolarHBondContact OH-CB 3.07Å; Y340-W362 PolarHBondContact OH-N 2.93Å; Y340-W362 VanDerWaalsContact OH-N 3.15Å; L358-W362 VanDerWaalsContact O-CB 3.32Å; L358-W362 WeakPolarHBondContact O-CB 3.25Å; L358-W362 PolarHBondContact O-N 3.39Å; L359-W362 PolarHBondContact O-N 2Å; W362-Q364 PolarHBondContact O-N 3.13Å; W362-R365 WeakPolarHBondContact O-CB 3.05Å; W362-R365 PolarHBondContact O-N 2.94Å; W362-S368 WeakPolarHBondContact O-CB 3.46Å; W362-T369 WeakPolarHBondContact CH2-O 3.04Å; W362-L372 HydrophobicContact CZ2-CB 4.21Å; W362-L373 HydrophobicContact CH2-CB 3.66Å; W362-L373 HydrophobicContact CZ2-CB 4.45Å; W362-L373 HydrophobicContact CZ3-CB 3.94Å; W362-L373 HydrophobicContact CZ3-CD1 4.26Å; W362-L373 HydrophobicContact CZ3-CD2 4.19Å; W362-L373 HydrophobicContact CZ3-CG 4.36Å |
| 363 | A | 81.4 | Confident | 79.2 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -17.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y308 V309 L359 S360 S368 | Y308-A363 HydrophobicContact CD1-CB 3.73Å; Y308-A363 HydrophobicContact CE1-CB 4.49Å; V309-A363 HydrophobicContact CG2-CB 3.71Å; L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.21Å; S360-A363 PolarHBondContact O-N 2.95Å; A363-S368 PolarHBondContact O-OG 3.34Å |
| 364 | Q | 79.6 | Confident | 78.9 | Confident | 159 Ų | 159 | 44.1 Ų | 44.1 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.5 | 174.4 | -67.3 | 172.6 | 8.9 | 0 | 0 | 113 | S360 N361 W362 | S360-Q364 WeakPolarHBondContact O-CG 3.27Å; N361-Q364 PolarHBondContact O-N 2.75Å; W362-Q364 PolarHBondContact O-N 3.13Å |
| 365 | R | 77.6 | Confident | 78.8 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -79.3 | 141.2 | 177.7 | -64.9 | -173.6 | 175.2 | -161.4 | -3.1 | 111 | Y340 W362 G367 S368 | Y340-R365 PolarHBondContact OH-NE 3.1Å; W362-R365 WeakPolarHBondContact O-CB 3.05Å; W362-R365 PolarHBondContact O-N 2.94Å; R365-G367 PolarHBondContact O-N 3.36Å; R365-S368 PolarHBondContact O-N 3.23Å |
| 366 | E | 62.1 | Low | 78.7 | Confident | 206 Ų | 206 | 47 Ų | 47 | 96% | 0.963 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123 | 176.8 | -64.8 | -173.7 | 172.1 | 0 | 0 | 110.5 | ||
| 367 | G | 65.8 | Low | 78.6 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 45% | 0.454 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 13.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | R365 T369 L372 | R365-G367 PolarHBondContact O-N 3.36Å; G367-T369 PolarHBondContact O-N 3.08Å; G367-L372 VanDerWaalsContact O-CD1 3.28Å; G367-L372 WeakPolarHBondContact O-CD1 3.31Å |
| 368 | S | 73 | Confident | 78.2 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -67.7 | 68.7 | 177.6 | 67.4 | 0 | 0 | 0 | 0 | 114 | L307 Y308 W362 A363 R365 | L307-S368 WeakPolarHBondContact CA-O 2.96Å; Y308-S368 PolarHBondContact N-O 3.02Å; Y308-S368 VanDerWaalsContact N-O 3.16Å; W362-S368 WeakPolarHBondContact O-CB 3.46Å; A363-S368 PolarHBondContact O-OG 3.34Å; R365-S368 PolarHBondContact O-N 3.23Å | ||
| 369 | T | 80 | Confident | 77.9 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 10% | 0.104 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -86.8 | 145.5 | -178.8 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | W362 G367 G371 L372 L373 | W362-T369 WeakPolarHBondContact CH2-O 3.04Å; G367-T369 PolarHBondContact O-N 3.08Å; T369-G371 PolarHBondContact O-N 2.87Å; T369-G371 VanDerWaalsContact O-N 3.15Å; T369-L372 PolarHBondContact O-N 3.5Å; T369-L372 WeakPolarHBondContact OG1-CG 3.23Å; T369-L372 PolarHBondContact OG1-N 2.79Å; T369-L373 PolarHBondContact O-N 3.44Å; T369-L373 VanDerWaalsContact O-N 3.14Å |
| 370 | L | 74.5 | Confident | 77.7 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -28.7 | 174.1 | -70.6 | -177.9 | 0 | 0 | 0 | 112.1 | R306 Y308 L311 S374 I389 | R306-L370 HydrophobicContact CB-CD1 3.99Å; R306-L370 HydrophobicContact CB-CG 4.43Å; R306-L370 HydrophobicContact CG-CD1 4.02Å; R306-L370 WeakPolarHBondContact O-CG 3.44Å; R306-L370 PolarHBondContact O-N 3.29Å; Y308-L370 HydrophobicContact CD2-CD2 3.85Å; Y308-L370 HydrophobicContact CG-CD2 4.47Å; L311-L370 HydrophobicContact CD1-CD1 4.29Å; L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 2.98Å; L370-S374 PolarHBondContact O-N 3.06Å; L370-S374 PolarHBondContact O-OG 2.82Å; L370-I389 HydrophobicContact CB-CG2 4.47Å; L370-I389 HydrophobicContact CD1-CG2 4.21Å; L370-I389 HydrophobicContact CD2-CG2 3.87Å; L370-I389 HydrophobicContact CG-CG2 4.41Å |
| 371 | G | 71.9 | Confident | 77.3 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | D304 T369 S375 | D304-G371 PolarHBondContact O-N 3.32Å; T369-G371 PolarHBondContact O-N 2.87Å; T369-G371 VanDerWaalsContact O-N 3.15Å; G371-S375 WeakPolarHBondContact O-CB 3.25Å; G371-S375 PolarHBondContact O-N 3.47Å |
| 372 | L | 78.8 | Confident | 76.6 | Confident | 91 Ų | 91 | 56 Ų | 56 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 177 | -74.9 | 175 | 0 | 0 | 0 | 112 | W362 G367 T369 S375 A376 | W362-L372 HydrophobicContact CZ2-CB 4.21Å; G367-L372 VanDerWaalsContact O-CD1 3.28Å; G367-L372 WeakPolarHBondContact O-CD1 3.31Å; T369-L372 PolarHBondContact O-N 3.5Å; T369-L372 WeakPolarHBondContact OG1-CG 3.23Å; T369-L372 PolarHBondContact OG1-N 2.79Å; L372-S375 PolarHBondContact O-N 3.25Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.09Å |
| 373 | L | 81.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.3 | -174.1 | 61.8 | 0 | 0 | 0 | 111.2 | Y308 L334 L338 L359 W362 T369 S375 A376 L377 I389 | Y308-L373 HydrophobicContact CD2-CD2 3.3Å; Y308-L373 HydrophobicContact CE2-CD2 3.51Å; Y308-L373 HydrophobicContact CG-CD2 4.3Å; L334-L373 HydrophobicContact CD1-CD1 4.23Å; L334-L373 HydrophobicContact CD2-CD1 4.14Å; L338-L373 HydrophobicContact CD1-CD1 4.36Å; L359-L373 HydrophobicContact CD2-CD1 3.91Å; W362-L373 HydrophobicContact CH2-CB 3.66Å; W362-L373 HydrophobicContact CZ2-CB 4.45Å; W362-L373 HydrophobicContact CZ3-CB 3.94Å; W362-L373 HydrophobicContact CZ3-CD1 4.26Å; W362-L373 HydrophobicContact CZ3-CD2 4.19Å; W362-L373 HydrophobicContact CZ3-CG 4.36Å; T369-L373 PolarHBondContact O-N 3.44Å; T369-L373 VanDerWaalsContact O-N 3.14Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.09Å; L373-A376 PolarHBondContact O-N 2.72Å; L373-L377 HydrophobicContact CD1-CD1 4.36Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.32Å; L373-I389 HydrophobicContact CD2-CD1 3.67Å; L373-I389 HydrophobicContact CG-CD1 4.03Å |
| 374 | S | 77.3 | Confident | 75.6 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -36.4 | 178 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L370 N378 | L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 2.98Å; L370-S374 PolarHBondContact O-N 3.06Å; L370-S374 PolarHBondContact O-OG 2.82Å; S374-N378 WeakPolarHBondContact O-CB 3.31Å; S374-N378 PolarHBondContact O-N 3.3Å; S374-N378 PolarHBondContact O-ND2 3.35Å |
| 375 | S | 79.6 | Confident | 75.3 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | G371 L372 L373 N378 R379 | G371-S375 WeakPolarHBondContact O-CB 3.25Å; G371-S375 PolarHBondContact O-N 3.47Å; L372-S375 PolarHBondContact O-N 3.25Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.09Å; S375-N378 PolarHBondContact O-N 3.49Å; S375-R379 WeakPolarHBondContact O-CG 3.27Å; S375-R379 PolarHBondContact O-N 3.37Å |
| 376 | A | 81.5 | Confident | 75.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L334 A337 L338 L372 L373 R379 I380 | L334-A376 HydrophobicContact CD1-CB 3.85Å; A337-A376 HydrophobicContact CB-CB 4.11Å; L338-A376 HydrophobicContact CD2-CB 3.62Å; L338-A376 HydrophobicContact CG-CB 4.2Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.09Å; L373-A376 PolarHBondContact O-N 2.72Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.04Å; A376-I380 PolarHBondContact O-N 2.97Å; A376-I380 VanDerWaalsContact O-N 3.16Å |
| 377 | L | 80.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 175.4 | -73.2 | 170.5 | 0 | 0 | 0 | 112.6 | L323 L334 L373 I380 E381 R382 A385 V386 I389 | L323-L377 HydrophobicContact CD2-CD2 4.12Å; L334-L377 HydrophobicContact CD1-CD2 3.82Å; L334-L377 HydrophobicContact CD1-CG 4.05Å; L334-L377 HydrophobicContact CD2-CD2 3.89Å; L334-L377 HydrophobicContact CG-CD2 4.42Å; L373-L377 HydrophobicContact CD1-CD1 4.36Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.32Å; L377-I380 HydrophobicContact CD2-CD1 3.9Å; L377-I380 WeakPolarHBondContact O-CG1 3.29Å; L377-I380 PolarHBondContact O-N 3.21Å; L377-E381 PolarHBondContact O-N 3.47Å; L377-R382 PolarHBondContact O-N 3.5Å; L377-A385 HydrophobicContact CD1-CB 3.94Å; L377-A385 HydrophobicContact CD2-CB 3.81Å; L377-A385 HydrophobicContact CG-CB 4.43Å; L377-V386 HydrophobicContact CB-CG2 3.45Å; L377-V386 VanDerWaalsContact CB-CG2 3.45Å; L377-V386 HydrophobicContact CD1-CG2 4.2Å; L377-V386 HydrophobicContact CG-CG2 4.49Å; L377-I389 HydrophobicContact CD1-CD1 3.37Å |
| 378 | N | 77.4 | Confident | 76 | Confident | 92 Ų | 92 | 43.1 Ų | 43.1 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 172 | -80.8 | -31.9 | 0 | 0 | 0 | 112.2 | S374 S375 I380 E381 | S374-N378 WeakPolarHBondContact O-CB 3.31Å; S374-N378 PolarHBondContact O-N 3.3Å; S374-N378 PolarHBondContact O-ND2 3.35Å; S375-N378 PolarHBondContact O-N 3.49Å; N378-I380 VanDerWaalsContact C-N 3.29Å; N378-I380 PolarHBondContact O-N 2.84Å; N378-E381 PolarHBondContact O-N 3.23Å |
| 379 | R | 78.9 | Confident | 76 | Confident | 170 Ų | 170 | 43.2 Ų | 43.2 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.5 | -31.2 | 175.9 | -78.5 | 177.8 | 58.2 | -140.2 | -4.3 | 113.4 | A337 S375 A376 | A337-R379 PolarHBondContact O-NH1 3.44Å; S375-R379 WeakPolarHBondContact O-CG 3.27Å; S375-R379 PolarHBondContact O-N 3.37Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.04Å |
| 380 | I | 79.3 | Confident | 75.3 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 11.6 | 174.3 | 67.2 | 169.3 | 0 | 0 | 0 | 112.4 | L323 R329 H333 L334 A337 A376 L377 N378 R382 | L323-I380 HydrophobicContact CD2-CD1 4.44Å; R329-I380 WeakPolarHBondContact CD-O 3.25Å; R329-I380 PolarHBondContact NE-O 3.31Å; R329-I380 VanDerWaalsContact NE-O 3.12Å; H333-I380 HydrophobicContact CB-CG2 4.11Å; L334-I380 HydrophobicContact CB-CD1 4Å; L334-I380 HydrophobicContact CD1-CD1 4.24Å; A337-I380 HydrophobicContact CB-CG2 4.04Å; A376-I380 PolarHBondContact O-N 2.97Å; A376-I380 VanDerWaalsContact O-N 3.16Å; L377-I380 HydrophobicContact CD2-CD1 3.9Å; L377-I380 WeakPolarHBondContact O-CG1 3.29Å; L377-I380 PolarHBondContact O-N 3.21Å; N378-I380 VanDerWaalsContact C-N 3.29Å; N378-I380 PolarHBondContact O-N 2.84Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 HydrophobicContact CD1-CB 4.14Å; I380-R382 HydrophobicContact CD1-CG 3.83Å; I380-R382 HydrophobicContact CG1-CB 3.99Å; I380-R382 HydrophobicContact CG1-CG 3.84Å; I380-R382 PolarHBondContact O-N 3.4Å |
| 381 | E | 73.6 | Confident | 74.6 | Confident | 122 Ų | 122 | 49.4 Ų | 49.4 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 45.2 | 179.8 | -61.9 | 177.4 | 175.5 | 0 | 0 | 112.9 | R329 L377 N378 P383 | R329-E381 IonicContact CZ-OE2 3.41Å; R329-E381 IonicContact NH1-OE2 3.08Å; R329-E381 PolarHBondContact NH1-OE2 3.19Å; R329-E381 PolarHBondContact NH2-O 3.48Å; R329-E381 IonicContact NH2-OE2 3.25Å; R329-E381 PolarHBondContact NH2-OE2 3.28Å; R329-E381 VanDerWaalsContact NH2-OE2 3.07Å; L377-E381 PolarHBondContact O-N 3.47Å; N378-E381 PolarHBondContact O-N 3.23Å; E381-P383 VanDerWaalsContact O-CD 3.25Å; E381-P383 WeakPolarHBondContact O-CD 3.41Å |
| 382 | R | 71.3 | Confident | 73.4 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | trans | -115.3 | 73.2 | 176.1 | -69.4 | -60.7 | -62.2 | -89.3 | 7.3 | 111.4 | L322 R329 L377 I380 D384 A385 V386 | L322-R382 PolarHBondContact O-NH1 2.04Å; L322-R382 PolarHBondContact O-NH2 3.22Å; R329-R382 HydrophobicContact CB-CG 4.48Å; R329-R382 PolarHBondContact O-NH1 3.25Å; L377-R382 PolarHBondContact O-N 3.5Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 HydrophobicContact CD1-CB 4.14Å; I380-R382 HydrophobicContact CD1-CG 3.83Å; I380-R382 HydrophobicContact CG1-CB 3.99Å; I380-R382 HydrophobicContact CG1-CG 3.84Å; I380-R382 PolarHBondContact O-N 3.4Å; R382-D384 VanDerWaalsContact CA-OD1 3.27Å; R382-D384 WeakPolarHBondContact CA-OD1 3.22Å; R382-D384 WeakPolarHBondContact CB-OD1 3.24Å; R382-D384 IonicContact CZ-OD1 3.49Å; R382-D384 IonicContact CZ-OD2 2.86Å; R382-D384 VanDerWaalsContact CZ-OD2 3.25Å; R382-D384 IonicContact NE-OD1 3.92Å; R382-D384 PolarHBondContact NE-OD1 2.86Å; R382-D384 IonicContact NE-OD2 3.92Å; R382-D384 PolarHBondContact NE-OD2 2.62Å; R382-D384 IonicContact NH2-OD1 2.97Å; R382-D384 IonicContact NH2-OD2 3.74Å; R382-D384 PolarHBondContact NH2-OD2 2.98Å; R382-D384 PolarHBondContact O-N 2.75Å; R382-A385 HydrophobicContact CB-CB 4.49Å; R382-A385 PolarHBondContact O-N 3.3Å; R382-V386 PolarHBondContact O-N 3.35Å | ||
| 383 | P | 69.1 | Low | 71.5 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.5 | -22 | 179.6 | 30.3 | -35.5 | 0 | 0 | 0 | 112.5 | E381 V386 T387 | E381-P383 VanDerWaalsContact O-CD 3.25Å; E381-P383 WeakPolarHBondContact O-CD 3.41Å; P383-V386 PolarHBondContact O-N 3.38Å; P383-T387 PolarHBondContact O-N 3.33Å; P383-T387 PolarHBondContact O-OG1 2.95Å |
| 384 | D | 74 | Confident | 69.4 | Low | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.3 | 55.8 | -27.5 | 0 | 0 | 0 | 112.4 | R382 V386 T387 A388 | R382-D384 VanDerWaalsContact CA-OD1 3.27Å; R382-D384 WeakPolarHBondContact CA-OD1 3.22Å; R382-D384 WeakPolarHBondContact CB-OD1 3.24Å; R382-D384 IonicContact CZ-OD1 3.49Å; R382-D384 IonicContact CZ-OD2 2.86Å; R382-D384 VanDerWaalsContact CZ-OD2 3.25Å; R382-D384 IonicContact NE-OD1 3.92Å; R382-D384 PolarHBondContact NE-OD1 2.86Å; R382-D384 IonicContact NE-OD2 3.92Å; R382-D384 PolarHBondContact NE-OD2 2.62Å; R382-D384 IonicContact NH2-OD1 2.97Å; R382-D384 IonicContact NH2-OD2 3.74Å; R382-D384 PolarHBondContact NH2-OD2 2.98Å; R382-D384 PolarHBondContact O-N 2.75Å; D384-V386 VanDerWaalsContact C-N 3.32Å; D384-V386 PolarHBondContact O-N 3.35Å; D384-T387 VanDerWaalsContact CA-OG1 3.31Å; D384-T387 WeakPolarHBondContact CA-OG1 3.39Å; D384-T387 PolarHBondContact O-N 2.96Å; D384-T387 PolarHBondContact O-OG1 3.36Å; D384-A388 PolarHBondContact O-N 3.27Å; D384-A388 VanDerWaalsContact O-N 3.09Å |
| 385 | A | 73.8 | Confident | 67.6 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.9 | -33.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L377 R382 A388 I389 | L377-A385 HydrophobicContact CD1-CB 3.94Å; L377-A385 HydrophobicContact CD2-CB 3.81Å; L377-A385 HydrophobicContact CG-CB 4.43Å; R382-A385 HydrophobicContact CB-CB 4.49Å; R382-A385 PolarHBondContact O-N 3.3Å; A385-A388 PolarHBondContact O-N 2.89Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 3Å |
| 386 | V | 73.4 | Confident | 65.4 | Low | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 175.3 | 178 | 0 | 0 | 0 | 0 | 111.3 | L377 R382 P383 D384 I389 N390 | L377-V386 HydrophobicContact CB-CG2 3.45Å; L377-V386 VanDerWaalsContact CB-CG2 3.45Å; L377-V386 HydrophobicContact CD1-CG2 4.2Å; L377-V386 HydrophobicContact CG-CG2 4.49Å; R382-V386 PolarHBondContact O-N 3.35Å; P383-V386 PolarHBondContact O-N 3.38Å; D384-V386 VanDerWaalsContact C-N 3.32Å; D384-V386 PolarHBondContact O-N 3.35Å; V386-I389 PolarHBondContact O-N 3.14Å; V386-N390 WeakPolarHBondContact CG1-ND2 3.38Å; V386-N390 WeakPolarHBondContact O-CB 3.43Å; V386-N390 PolarHBondContact O-N 3.14Å; V386-N390 VanDerWaalsContact O-N 3.12Å; V386-N390 PolarHBondContact O-ND2 2.99Å |
| 387 | T | 73.3 | Confident | 63.1 | Low | 91 Ų | 91 | 78.9 Ų | 78.9 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.9 | -36.4 | 173.3 | 34.8 | 0 | 0 | 0 | 0 | 112.9 | P383 D384 I389 N390 S391 | P383-T387 PolarHBondContact O-N 3.33Å; P383-T387 PolarHBondContact O-OG1 2.95Å; D384-T387 VanDerWaalsContact CA-OG1 3.31Å; D384-T387 WeakPolarHBondContact CA-OG1 3.39Å; D384-T387 PolarHBondContact O-N 2.96Å; D384-T387 PolarHBondContact O-OG1 3.36Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.47Å; T387-N390 PolarHBondContact O-N 3.12Å; T387-S391 WeakPolarHBondContact O-CB 3.4Å; T387-S391 PolarHBondContact O-N 3.04Å; T387-S391 PolarHBondContact O-OG 3.44Å |
| 388 | A | 73.4 | Confident | 60.9 | Low | 14 Ų | 14 | 84.4 Ų | 84.4 | 12% | 0.116 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E318 V319 L322 D384 A385 S391 | E318-A388 HydrophobicContact CG-CB 4.34Å; V319-A388 HydrophobicContact CG2-CB 3.93Å; L322-A388 HydrophobicContact CD1-CB 4.13Å; D384-A388 PolarHBondContact O-N 3.27Å; D384-A388 VanDerWaalsContact O-N 3.09Å; A385-A388 PolarHBondContact O-N 2.89Å; A388-S391 PolarHBondContact O-OG 2.87Å |
| 389 | I | 73 | Confident | 58.9 | Low | 7 Ų | 7 | 89.8 Ų | 89.8 | 4% | 0.036 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.9 | -65 | 166.1 | 0 | 0 | 0 | 111.5 | V319 L370 L373 L377 A385 V386 T387 | V319-I389 HydrophobicContact CG2-CD1 4.3Å; V319-I389 HydrophobicContact CG2-CG1 3.63Å; L370-I389 HydrophobicContact CB-CG2 4.47Å; L370-I389 HydrophobicContact CD1-CG2 4.21Å; L370-I389 HydrophobicContact CD2-CG2 3.87Å; L370-I389 HydrophobicContact CG-CG2 4.41Å; L373-I389 HydrophobicContact CD2-CD1 3.67Å; L373-I389 HydrophobicContact CG-CD1 4.03Å; L377-I389 HydrophobicContact CD1-CD1 3.37Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 3Å; V386-I389 PolarHBondContact O-N 3.14Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.47Å |
| 390 | N | 66.1 | Low | 57.9 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -90.2 | -9.3 | -170.6 | -70.8 | -42.2 | 0 | 0 | 0 | 115.9 | V386 T387 T392 | V386-N390 WeakPolarHBondContact CG1-ND2 3.38Å; V386-N390 WeakPolarHBondContact O-CB 3.43Å; V386-N390 PolarHBondContact O-N 3.14Å; V386-N390 VanDerWaalsContact O-N 3.12Å; V386-N390 PolarHBondContact O-ND2 2.99Å; T387-N390 PolarHBondContact O-N 3.12Å; N390-T392 PolarHBondContact O-N 3.44Å; N390-T392 VanDerWaalsContact O-N 3.14Å |
| 391 | S | 59 | Low | 56.8 | Low | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | trans | -69.4 | 108.2 | -177.2 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | K315 T387 A388 | K315-S391 PolarHBondContact NZ-O 3.49Å; T387-S391 WeakPolarHBondContact O-CB 3.4Å; T387-S391 PolarHBondContact O-N 3.04Å; T387-S391 PolarHBondContact O-OG 3.44Å; A388-S391 PolarHBondContact O-OG 2.87Å | ||
| 392 | T | 45.9 | Very low | 55.9 | Low | 135 Ų | 135 | 87.6 Ų | 87.6 | 83% | 0.828 | 53% | 0.526 | S | S | * | . | trans | -74.4 | 129.3 | 167.6 | 25.1 | 0 | 0 | 0 | 0 | 109.7 | N390 Q394 | N390-T392 PolarHBondContact O-N 3.44Å; N390-T392 VanDerWaalsContact O-N 3.14Å; T392-Q394 PolarHBondContact O-N 3.41Å | ||
| 393 | Q | 40.3 | Very low | 55 | Low | 175 Ų | 175 | 91.3 Ų | 91.3 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | trans | -57.8 | 108.2 | -173.3 | -159.5 | 175.2 | 4.3 | 0 | 0 | 111.2 | ||||
| 394 | Q | 35.6 | Very low | 54.1 | Low | 182 Ų | 182 | 91.7 Ų | 91.7 | 85% | 0.85 | 55% | 0.551 | S | S | * | * | trans | -75.1 | 122.7 | 156.3 | -102.5 | 166.3 | -17.4 | 0 | 0 | 107.1 | T392 V396 | T392-Q394 PolarHBondContact O-N 3.41Å; Q394-V396 PolarHBondContact O-N 3.05Å | ||
| 395 | G | 39.1 | Very low | 52.8 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 76% | 0.763 | 57% | 0.568 | S | S | * | * | trans | -56.3 | 130.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 396 | V | 34.3 | Very low | 51.3 | Low | 130 Ų | 130 | 100.8 Ų | 100.8 | 79% | 0.788 | 61% | 0.608 | S | S | * | * | trans | -103.6 | 89.2 | 163.5 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | Q394 V398 | Q394-V396 PolarHBondContact O-N 3.05Å; V396-V398 HydrophobicContact CG1-CG2 3.63Å | ||
| 397 | S | 33.3 | Very low | 49.6 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | -66.5 | 121.5 | 152.9 | 156.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 398 | V | 35 | Very low | 47.6 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | trans | -141.3 | 105.2 | 159.6 | -175 | 0 | 0 | 0 | 0 | 109.2 | V396 | V396-V398 HydrophobicContact CG1-CG2 3.63Š| ||
| 399 | V | 36.1 | Very low | 45.2 | Very low | 205 Ų | 205 | 117.3 Ų | 117.3 | 100% | 1.242 | 70% | 0.704 | S | S | * | * | trans | 37.7 | 0 | 140.2 | -172.6 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 399 of 399 residues in 549 ms
(Link to these results)