| 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 | 62.7 | Low | 83.6 | Confident | 235 Ų | 235 | 147 Ų | 147 | 100% | 1.158 | 68% | 0.678 | S | S | * | * | 0 | 98.7 | 0 | -174.4 | 179.6 | -90.7 | 0 | 0 | 106 | R3 | M1-R3 PolarHBondContact O-N 3.41Š| |||
| 2 | E | 79.1 | Confident | 83.8 | Confident | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.2 | 175.9 | -76.4 | 176.4 | 154.2 | 0 | 0 | 108 | ||
| 3 | R | 81.7 | Confident | 83.5 | Confident | 174 Ų | 174 | 149.3 Ų | 149.3 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.2 | 172.4 | -76.1 | -179.1 | -177.5 | -174.2 | 0.6 | 108.2 | M1 D7 F8 | M1-R3 PolarHBondContact O-N 3.41Å; R3-D7 HydrophobicContact CB-CB 4.47Å; R3-F8 HydrophobicContact CB-CD2 4.17Å; R3-F8 HydrophobicContact CB-CE2 3.37Å; R3-F8 HydrophobicContact CB-CZ 3.6Å; R3-F8 HydrophobicContact CG-CE2 4.49Å; R3-F8 HydrophobicContact CG-CZ 4.28Å |
| 4 | H | 85.7 | Confident | 83.4 | Confident | 127 Ų | 127 | 150 Ų | 150 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.7 | 176.4 | -170.5 | -97.2 | 0 | 0 | 0 | 108.9 | Y6 D7 | H4-Y6 WeakPolarHBondContact ND1-CB 3.04Å; H4-Y6 PolarHBondContact ND1-N 3.39Å; H4-Y6 PolarHBondContact O-N 3.07Å; H4-D7 PolarHBondContact N-OD2 3.03Å; H4-D7 WeakPolarHBondContact O-CB 3.22Å; H4-D7 PolarHBondContact O-N 3.37Å |
| 5 | I | 89.1 | Confident | 83 | Confident | 132 Ų | 132 | 150.1 Ų | 150.1 | 68% | 0.677 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -53.2 | -35.6 | -177.9 | -166.9 | 163.5 | 0 | 0 | 0 | 112 | D7 F8 V9 | I5-D7 VanDerWaalsContact C-N 3.28Å; I5-D7 PolarHBondContact O-N 2.8Å; I5-F8 PolarHBondContact O-N 3.04Å; I5-F8 VanDerWaalsContact O-N 3.15Å; I5-V9 WeakPolarHBondContact O-CG2 2.86Å; I5-V9 PolarHBondContact O-N 2.56Å |
| 6 | Y | 83.9 | Confident | 82.4 | Confident | 120 Ų | 120 | 147.2 Ų | 147.2 | 47% | 0.471 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -54.5 | -39.5 | 174.4 | -177.2 | -102.7 | 0 | 0 | 0 | 113.3 | H4 F8 V9 R10 | H4-Y6 WeakPolarHBondContact ND1-CB 3.04Å; H4-Y6 PolarHBondContact ND1-N 3.39Å; H4-Y6 PolarHBondContact O-N 3.07Å; Y6-F8 PolarHBondContact O-N 3.33Å; Y6-V9 PolarHBondContact O-N 3.08Å; Y6-R10 HydrophobicContact CD1-CB 4.48Å; Y6-R10 HydrophobicContact CE1-CB 4.18Å; Y6-R10 HydrophobicContact CE1-CG 4.1Å; Y6-R10 VanDerWaalsContact O-CB 3.29Å; Y6-R10 WeakPolarHBondContact O-CB 3.26Å; Y6-R10 PolarHBondContact O-N 2.54Å |
| 7 | D | 87.1 | Confident | 82.2 | Confident | 94 Ų | 94 | 142.4 Ų | 142.4 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -67.5 | -26.1 | -177.2 | -62.1 | -32.2 | 0 | 0 | 0 | 112.2 | R3 H4 I5 | R3-D7 HydrophobicContact CB-CB 4.47Å; H4-D7 PolarHBondContact N-OD2 3.03Å; H4-D7 WeakPolarHBondContact O-CB 3.22Å; H4-D7 PolarHBondContact O-N 3.37Å; I5-D7 VanDerWaalsContact C-N 3.28Å; I5-D7 PolarHBondContact O-N 2.8Å |
| 8 | F | 87.2 | Confident | 81.7 | Confident | 138 Ų | 138 | 145.9 Ų | 145.9 | 61% | 0.605 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -80.7 | -31.3 | 176.6 | -67.5 | -77.5 | 0 | 0 | 0 | 113 | R3 I5 Y6 | R3-F8 HydrophobicContact CB-CD2 4.17Å; R3-F8 HydrophobicContact CB-CE2 3.37Å; R3-F8 HydrophobicContact CB-CZ 3.6Å; R3-F8 HydrophobicContact CG-CE2 4.49Å; R3-F8 HydrophobicContact CG-CZ 4.28Å; I5-F8 PolarHBondContact O-N 3.04Å; I5-F8 VanDerWaalsContact O-N 3.15Å; Y6-F8 PolarHBondContact O-N 3.33Å |
| 9 | V | 87.5 | Confident | 81.5 | Confident | 101 Ų | 101 | 144.6 Ų | 144.6 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -102.5 | -6.8 | -175.7 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | I5 Y6 Q11 | I5-V9 WeakPolarHBondContact O-CG2 2.86Å; I5-V9 PolarHBondContact O-N 2.56Å; Y6-V9 PolarHBondContact O-N 3.08Å; V9-Q11 PolarHBondContact O-N 3.32Å; V9-Q11 VanDerWaalsContact O-N 3.1Å |
| 10 | R | 88 | Confident | 81.3 | Confident | 139 Ų | 139 | 141.5 Ų | 141.5 | 53% | 0.525 | 69% | 0.694 | S | S | . | * | trans | -64.6 | 114.4 | 179.7 | -175.7 | -178.5 | -172.7 | -93.1 | 3 | 110.4 | Y6 | Y6-R10 HydrophobicContact CD1-CB 4.48Å; Y6-R10 HydrophobicContact CE1-CB 4.18Å; Y6-R10 HydrophobicContact CE1-CG 4.1Å; Y6-R10 VanDerWaalsContact O-CB 3.29Å; Y6-R10 WeakPolarHBondContact O-CB 3.26Å; Y6-R10 PolarHBondContact O-N 2.54Å | ||
| 11 | Q | 87.6 | Confident | 81 | Confident | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 154 | 172.3 | -65.7 | 179.4 | -8.8 | 0 | 0 | 111.1 | V9 R13 | V9-Q11 PolarHBondContact O-N 3.32Å; V9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-R13 PolarHBondContact O-N 3.41Å |
| 12 | P | 85.5 | Confident | 81.6 | Confident | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.7 | 169 | -23.7 | 34 | 0 | 0 | 0 | 110.5 | I14 | P12-I14 PolarHBondContact O-N 3.29Š|
| 13 | R | 80.6 | Confident | 81.5 | Confident | 209 Ų | 209 | 135.9 Ų | 135.9 | 79% | 0.789 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.4 | 171.3 | -67.4 | -134.2 | -178 | -175.8 | 1.9 | 108 | Q11 L15 | Q11-R13 PolarHBondContact O-N 3.41Å; R13-L15 PolarHBondContact O-N 2.87Å |
| 14 | I | 81.9 | Confident | 81.2 | Confident | 159 Ų | 159 | 132.9 Ų | 132.9 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.9 | 172.9 | -55.3 | 170.4 | 0 | 0 | 0 | 106.5 | P12 | P12-I14 PolarHBondContact O-N 3.29Š|
| 15 | L | 76.9 | Confident | 80.6 | Confident | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141.4 | 175.8 | -74.3 | 167.8 | 0 | 0 | 0 | 108.8 | R13 S17 | R13-L15 PolarHBondContact O-N 2.87Å; L15-S17 PolarHBondContact O-N 3.34Å |
| 16 | P | 73.7 | Confident | 80 | Confident | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.8 | 179.2 | -21.6 | 31.4 | 0 | 0 | 0 | 111.3 | D20 | P16-D20 WeakPolarHBondContact CA-OD2 3.46Å; P16-D20 HydrophobicContact CB-CB 4.21Å |
| 17 | S | 78.5 | Confident | 79.4 | Confident | 65 Ų | 65 | 128.1 Ų | 128.1 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 158.5 | 166.3 | -179 | 0 | 0 | 0 | 0 | 109.9 | L15 T19 D20 | L15-S17 PolarHBondContact O-N 3.34Å; S17-T19 PolarHBondContact O-N 3.29Å; S17-T19 PolarHBondContact OG-OG1 2.91Å; S17-T19 VanDerWaalsContact OG-OG1 3.07Å; S17-D20 VanDerWaalsContact N-CG 3.34Å; S17-D20 PolarHBondContact N-OD2 3.08Å; S17-D20 WeakPolarHBondContact O-CB 3.08Å; S17-D20 PolarHBondContact O-N 2.88Å |
| 18 | E | 74.4 | Confident | 78.7 | Confident | 206 Ų | 206 | 133.9 Ų | 133.9 | 96% | 0.963 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -21.7 | 173.4 | -69.2 | -179.5 | 176.1 | 0 | 0 | 112.8 | ||
| 19 | T | 77.3 | Confident | 78.2 | Confident | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -4.8 | 178.6 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | S17 | S17-T19 PolarHBondContact O-N 3.29Å; S17-T19 PolarHBondContact OG-OG1 2.91Å; S17-T19 VanDerWaalsContact OG-OG1 3.07Å |
| 20 | D | 77.1 | Confident | 78 | Confident | 82 Ų | 82 | 129 Ų | 129 | 44% | 0.439 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -74.9 | 145.7 | -173.1 | -71.9 | -7.5 | 0 | 0 | 0 | 112.1 | P16 S17 V22 | P16-D20 WeakPolarHBondContact CA-OD2 3.46Å; P16-D20 HydrophobicContact CB-CB 4.21Å; S17-D20 VanDerWaalsContact N-CG 3.34Å; S17-D20 PolarHBondContact N-OD2 3.08Å; S17-D20 WeakPolarHBondContact O-CB 3.08Å; S17-D20 PolarHBondContact O-N 2.88Å; D20-V22 PolarHBondContact O-N 3.23Å; D20-V22 VanDerWaalsContact O-N 3.15Å |
| 21 | E | 76.2 | Confident | 77.8 | Confident | 195 Ų | 195 | 130.3 Ų | 130.3 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.5 | 178.2 | -65.7 | -174.5 | 171.3 | 0 | 0 | 110.8 | ||
| 22 | V | 75.6 | Confident | 77.5 | Confident | 133 Ų | 133 | 125.8 Ų | 125.8 | 81% | 0.806 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 124.7 | 173.2 | -84.1 | 0 | 0 | 0 | 0 | 110.4 | D20 | D20-V22 PolarHBondContact O-N 3.23Å; D20-V22 VanDerWaalsContact O-N 3.15Å |
| 23 | V | 75.6 | Confident | 77.8 | Confident | 127 Ų | 127 | 125.2 Ų | 125.2 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | trans | -84.2 | 115.2 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | I25 | V23-I25 HydrophobicContact CG1-CG1 4.24Å; V23-I25 PolarHBondContact O-N 3.03Å | ||
| 24 | V | 76.8 | Confident | 78.4 | Confident | 111 Ų | 111 | 116 Ų | 116 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | trans | -78.6 | 115.3 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 25 | I | 73.1 | Confident | 78.9 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | trans | -100.9 | 118.9 | 176.5 | -55.6 | 177.3 | 0 | 0 | 0 | 108.5 | V23 P27 T29 L30 | V23-I25 HydrophobicContact CG1-CG1 4.24Å; V23-I25 PolarHBondContact O-N 3.03Å; I25-P27 WeakPolarHBondContact O-CD 3.42Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.45Å; I25-L30 HydrophobicContact CG2-CD1 4.1Å; I25-L30 HydrophobicContact CG2-CD2 4.24Å; I25-L30 HydrophobicContact CG2-CG 3.98Å | ||
| 26 | F | 76.2 | Confident | 79.8 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.614 | 54% | 0.54 | S | S | * | . | trans | -74.9 | 125.8 | 173.9 | -64.2 | -78.5 | 0 | 0 | 0 | 109.6 | R28 T29 | F26-R28 PolarHBondContact O-N 3.22Å; F26-T29 HydrophobicContact CB-CG2 4.28Å; F26-T29 WeakPolarHBondContact O-CB 3.43Å; F26-T29 PolarHBondContact O-N 3.07Å; F26-T29 PolarHBondContact O-OG1 3.1Å | ||
| 27 | P | 70.8 | Confident | 80.8 | Confident | 40 Ų | 40 | 100.3 Ų | 100.3 | 26% | 0.26 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -53.9 | -27.1 | -175.4 | -32.1 | 37.3 | 0 | 0 | 0 | 115.9 | I25 T29 L30 I98 C102 | I25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 2.85Å; P27-L30 PolarHBondContact O-N 3.39Å; P27-L30 VanDerWaalsContact O-N 3.12Å; P27-I98 HydrophobicContact CB-CG2 3.82Å; P27-I98 HydrophobicContact CG-CG2 4.35Å; P27-C102 WeakPolarHBondContact CB-SG 3.45Å; P27-C102 WeakPolarHBondContact CG-SG 3.32Å |
| 28 | R | 71.5 | Confident | 81.5 | Confident | 215 Ų | 215 | 98 Ų | 98 | 81% | 0.811 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -61.2 | -28.3 | 175 | -64 | -177.7 | -176.8 | 178 | 1.7 | 112.8 | F26 L30 R31 | F26-R28 PolarHBondContact O-N 3.22Å; R28-L30 VanDerWaalsContact C-N 3.27Å; R28-L30 PolarHBondContact O-N 3.42Å; R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.14Å; R28-R31 PolarHBondContact O-N 3.04Å |
| 29 | T | 77.3 | Confident | 82.4 | Confident | 88 Ų | 88 | 88.5 Ų | 88.5 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -69.1 | -28.9 | 177 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | I25 F26 P27 R31 | I25-T29 WeakPolarHBondContact CG2-OG1 3.45Å; F26-T29 HydrophobicContact CB-CG2 4.28Å; F26-T29 WeakPolarHBondContact O-CB 3.43Å; F26-T29 PolarHBondContact O-N 3.07Å; F26-T29 PolarHBondContact O-OG1 3.1Å; P27-T29 PolarHBondContact O-N 2.85Å; T29-R31 VanDerWaalsContact C-N 3.28Å; T29-R31 PolarHBondContact O-N 2.7Å |
| 30 | L | 83.7 | Confident | 83 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -86 | 1.4 | 179.2 | -59.9 | 179.2 | 0 | 0 | 0 | 113.2 | I25 P27 R28 A32 E33 L34 I98 | I25-L30 HydrophobicContact CG2-CD1 4.1Å; I25-L30 HydrophobicContact CG2-CD2 4.24Å; I25-L30 HydrophobicContact CG2-CG 3.98Å; P27-L30 PolarHBondContact O-N 3.39Å; P27-L30 VanDerWaalsContact O-N 3.12Å; R28-L30 VanDerWaalsContact C-N 3.27Å; R28-L30 PolarHBondContact O-N 3.42Å; L30-A32 PolarHBondContact O-N 2.96Å; L30-E33 VanDerWaalsContact CA-OE2 3.24Å; L30-E33 WeakPolarHBondContact CA-OE2 3.36Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-E33 VanDerWaalsContact O-N 3.1Å; L30-L34 HydrophobicContact CB-CD1 4.41Å; L30-L34 HydrophobicContact CB-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.76Å; L30-I98 HydrophobicContact CD1-CD1 3.75Å; L30-I98 HydrophobicContact CD1-CG1 4.45Å; L30-I98 HydrophobicContact CD1-CG2 4.4Å |
| 31 | R | 83 | Confident | 83.7 | Confident | 166 Ų | 166 | 85.5 Ų | 85.5 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -37.8 | -173.1 | -173.5 | 175.5 | -176.6 | 164.7 | 2.9 | 111.7 | R28 T29 E33 L34 T35 | R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.14Å; R28-R31 PolarHBondContact O-N 3.04Å; T29-R31 VanDerWaalsContact C-N 3.28Å; T29-R31 PolarHBondContact O-N 2.7Å; R31-E33 VanDerWaalsContact C-N 3.35Å; R31-L34 PolarHBondContact O-N 2.83Å; R31-T35 WeakPolarHBondContact O-CB 3.41Å; R31-T35 PolarHBondContact O-N 3.49Å; R31-T35 PolarHBondContact O-OG1 2.86Å |
| 32 | A | 83.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -38.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 | L30-A32 PolarHBondContact O-N 2.96Š|
| 33 | E | 90.1 | Very high | 85.5 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -36.5 | -179.6 | -66.3 | 66.1 | -147.7 | 0 | 0 | 111.5 | L30 R31 Y91 | L30-E33 VanDerWaalsContact CA-OE2 3.24Å; L30-E33 WeakPolarHBondContact CA-OE2 3.36Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-E33 VanDerWaalsContact O-N 3.1Å; R31-E33 VanDerWaalsContact C-N 3.35Å; E33-Y91 PolarHBondContact O-OH 3.17Å |
| 34 | L | 93.1 | Very high | 86.4 | Confident | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.5 | -178.9 | -52.7 | -173.3 | 0 | 0 | 0 | 113.7 | L30 R31 I42 L43 Y91 I95 I98 | L30-L34 HydrophobicContact CB-CD1 4.41Å; L30-L34 HydrophobicContact CB-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.76Å; R31-L34 PolarHBondContact O-N 2.83Å; L34-I42 WeakPolarHBondContact O-CA 3.24Å; L34-L43 PolarHBondContact O-N 3.21Å; L34-Y91 HydrophobicContact CD2-CE1 4.17Å; L34-I95 HydrophobicContact CB-CG1 4.45Å; L34-I95 HydrophobicContact CD2-CG1 3.84Å; L34-I95 HydrophobicContact CG-CG1 4.47Å; L34-I98 HydrophobicContact CD1-CB 4.13Å; L34-I98 HydrophobicContact CD1-CD1 3.98Å; L34-I98 HydrophobicContact CD1-CG2 3.82Å; L34-I98 HydrophobicContact CD2-CD1 4.31Å |
| 35 | T | 93 | Very high | 87.4 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 133.8 | -176.3 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | R31 L40 D41 | R31-T35 WeakPolarHBondContact O-CB 3.41Å; R31-T35 PolarHBondContact O-N 3.49Å; R31-T35 PolarHBondContact O-OG1 2.86Å; T35-L40 VanDerWaalsContact CG2-C 3.47Å; T35-L40 VanDerWaalsContact CG2-CA 3.48Å; T35-L40 HydrophobicContact CG2-CB 4.18Å; T35-D41 WeakPolarHBondContact CA-O 2.99Å |
| 36 | C | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -69.3 | 125.9 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | I38 C39 L40 D41 L43 C57 | C36-I38 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact CB-SG 3.54Å; C36-L40 WeakPolarHBondContact O-CA 3.18Å; C36-L40 PolarHBondContact O-N 3.15Å; C36-D41 PolarHBondContact N-O 3.31Å; C36-L43 HydrophobicContact CB-CD2 3.65Å; C36-L43 HydrophobicContact CB-CG 4.22Å; C36-C57 VanDerWaalsContact CB-SG 3.59Å; C36-C57 PolarHBondContact SG-N 3.05Å | ||
| 37 | P | 94.2 | Very high | 89.7 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8 | -178.8 | 30.2 | -38.5 | 0 | 0 | 0 | 113.7 | R55 F56 | P37-R55 VanDerWaalsContact CD-O 3.28Å; P37-R55 WeakPolarHBondContact CD-O 3.49Å; P37-F56 HydrophobicContact CG-CD1 3.5Å; P37-F56 VanDerWaalsContact CG-CD1 3.5Å; P37-F56 HydrophobicContact CG-CE1 3.33Å; P37-F56 HydrophobicContact CG-CZ 4.4Å |
| 38 | I | 94.2 | Very high | 91 | Very high | 15 Ų | 15 | 66.2 Ų | 66.2 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -68.6 | 176.5 | -51.9 | 168.3 | 0 | 0 | 0 | 109.2 | C36 L40 F56 C60 I61 A64 P73 R190 V193 T197 | C36-I38 PolarHBondContact O-N 3.18Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.3Å; I38-F56 HydrophobicContact CD1-CB 4.29Å; I38-F56 HydrophobicContact CD1-CD1 3.61Å; I38-F56 HydrophobicContact CD1-CE1 4.33Å; I38-F56 HydrophobicContact CD1-CG 4.19Å; I38-F56 HydrophobicContact CG1-CD1 3.82Å; I38-F56 HydrophobicContact CG1-CE1 4.32Å; I38-C60 HydrophobicContact CB-CB 4.04Å; I38-C60 HydrophobicContact CD1-CB 3.81Å; I38-C60 HydrophobicContact CG2-CB 4.19Å; I38-I61 HydrophobicContact CD1-CB 4.12Å; I38-I61 HydrophobicContact CD1-CD1 4.18Å; I38-A64 HydrophobicContact CD1-CB 4.43Å; I38-P73 HydrophobicContact CD1-CG 3.98Å; I38-P73 HydrophobicContact CG1-CB 4.14Å; I38-P73 HydrophobicContact CG1-CG 4.03Å; I38-R190 PolarHBondContact O-NH1 3.2Å; I38-V193 HydrophobicContact CG2-CG1 4.18Å; I38-V193 WeakPolarHBondContact O-CG1 3.11Å; I38-T197 HydrophobicContact CG2-CG2 3.64Å |
| 39 | C | 93.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.2 | -176.7 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | C36 D41 R190 T197 | C36-C39 VanDerWaalsContact CB-SG 3.54Å; C39-D41 PolarHBondContact O-N 2.91Å; C39-R190 PolarHBondContact O-NH1 3.46Å; C39-R190 PolarHBondContact O-NH2 2.86Å; C39-T197 HydrophobicContact CB-CG2 4.41Å |
| 40 | L | 90.2 | Very high | 93.3 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 42% | 0.419 | 28% | 0.281 | S | S | . | . | trans | 52.1 | 26.5 | -172.6 | -43.1 | 173.9 | 0 | 0 | 0 | 114.6 | T35 C36 I38 R190 | T35-L40 VanDerWaalsContact CG2-C 3.47Å; T35-L40 VanDerWaalsContact CG2-CA 3.48Å; T35-L40 HydrophobicContact CG2-CB 4.18Å; C36-L40 WeakPolarHBondContact O-CA 3.18Å; C36-L40 PolarHBondContact O-N 3.15Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.3Å; L40-R190 VanDerWaalsContact CG-NH1 3.31Å | ||
| 41 | D | 90.7 | Very high | 93.8 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -105.7 | 170.8 | 166.5 | -54.3 | -40.2 | 0 | 0 | 0 | 109 | T35 C36 C39 L43 K198 | T35-D41 WeakPolarHBondContact CA-O 2.99Å; C36-D41 PolarHBondContact N-O 3.31Å; C39-D41 PolarHBondContact O-N 2.91Å; D41-L43 PolarHBondContact O-N 3.3Å; D41-K198 IonicContact OD1-NZ 3.58Å; D41-K198 PolarHBondContact OD1-NZ 3.1Å; D41-K198 WeakPolarHBondContact OD2-CE 3.05Å; D41-K198 IonicContact OD2-NZ 3.5Å; D41-K198 PolarHBondContact OD2-NZ 3.19Å |
| 42 | I | 92.6 | Very high | 94.5 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 46% | 0.456 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -56.4 | 137.3 | 174.6 | -62.4 | 167.6 | 0 | 0 | 0 | 109.5 | L34 I95 | L34-I42 WeakPolarHBondContact O-CA 3.24Å; I42-I95 HydrophobicContact CG2-CG2 3.59Å |
| 43 | L | 96.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | trans | -56.3 | 137.5 | 178 | -75.8 | 162.5 | 0 | 0 | 0 | 111.3 | L34 C36 D41 T46 R55 F56 Y91 I95 | L34-L43 PolarHBondContact O-N 3.21Å; C36-L43 HydrophobicContact CB-CD2 3.65Å; C36-L43 HydrophobicContact CB-CG 4.22Å; D41-L43 PolarHBondContact O-N 3.3Å; L43-T46 HydrophobicContact CD1-CG2 4.44Å; L43-R55 HydrophobicContact CD1-CB 4.04Å; L43-R55 HydrophobicContact CD2-CB 4.45Å; L43-F56 VanDerWaalsContact CD2-CA 3.49Å; L43-Y91 HydrophobicContact CD1-CD1 4.15Å; L43-Y91 HydrophobicContact CD1-CE1 3.63Å; L43-I95 HydrophobicContact CB-CD1 3.64Å; L43-I95 HydrophobicContact CD1-CD1 4.49Å | ||
| 44 | K | 95.8 | Very high | 95.6 | Very high | 151 Ų | 151 | 54.4 Ų | 54.4 | 66% | 0.657 | 27% | 0.267 | S | S | * | . | trans | -138.4 | 137 | 178.5 | -64.2 | -179.5 | -177.4 | -177.2 | 0 | 109.8 | T46 C57 | K44-T46 VanDerWaalsContact C-N 3.31Å; K44-T46 PolarHBondContact O-N 2.91Å; K44-C57 PolarHBondContact N-SG 2.86Å; K44-C57 VanDerWaalsContact N-SG 3.36Å; K44-C57 VanDerWaalsContact O-CA 3.24Å; K44-C57 WeakPolarHBondContact O-CA 3.23Å; K44-C57 WeakPolarHBondContact O-CB 3.46Å | ||
| 45 | E | 98 | Very high | 95.8 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 46.1 | 60.7 | -170.8 | -67.3 | -176.2 | -140.5 | 0 | 0 | 109.6 | V47 K58 | E45-V47 PolarHBondContact O-N 2.92Å; E45-K58 HydrophobicContact CB-CB 3.99Å; E45-K58 HydrophobicContact CB-CD 4.26Å; E45-K58 VanDerWaalsContact O-CB 3.23Å; E45-K58 WeakPolarHBondContact O-CB 3.45Å; E45-K58 PolarHBondContact O-N 2.77Å; E45-K58 WeakPolarHBondContact OE2-CD 3.18Å; E45-K58 IonicContact OE2-NZ 3.25Å; E45-K58 PolarHBondContact OE2-NZ 2.83Å |
| 46 | T | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 131.8 | -167.9 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | L43 K44 R55 D88 Y91 D92 | L43-T46 HydrophobicContact CD1-CG2 4.44Å; K44-T46 VanDerWaalsContact C-N 3.31Å; K44-T46 PolarHBondContact O-N 2.91Å; T46-R55 HydrophobicContact CG2-CB 3.94Å; T46-R55 HydrophobicContact CG2-CG 4.07Å; T46-D88 HydrophobicContact CG2-CB 4.24Å; T46-D88 PolarHBondContact O-N 3.38Å; T46-Y91 HydrophobicContact CG2-CD1 3.93Å; T46-Y91 HydrophobicContact CG2-CG 4.37Å; T46-D92 WeakPolarHBondContact CB-OD1 3.23Å; T46-D92 PolarHBondContact N-OD1 3.01Å; T46-D92 PolarHBondContact N-OD2 3.49Å; T46-D92 PolarHBondContact OG1-OD1 3.45Å |
| 47 | V | 98.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.8 | 168.6 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | E45 R55 F56 K58 I61 L85 V86 | E45-V47 PolarHBondContact O-N 2.92Å; V47-R55 WeakPolarHBondContact O-CA 3.29Å; V47-F56 WeakPolarHBondContact CG2-O 3.1Å; V47-F56 PolarHBondContact N-O 2.86Å; V47-F56 PolarHBondContact O-N 3.37Å; V47-K58 HydrophobicContact CG1-CB 3.81Å; V47-K58 HydrophobicContact CG1-CG 4.1Å; V47-I61 HydrophobicContact CG2-CG2 3.41Å; V47-I61 VanDerWaalsContact CG2-CG2 3.41Å; V47-L85 HydrophobicContact CB-CB 4.48Å; V47-L85 HydrophobicContact CG2-CD1 4.41Å; V47-V86 CarbonylContact C-O 3.47Å; V47-V86 VanDerWaalsContact CA-O 3.3Å; V47-V86 WeakPolarHBondContact CA-O 3.22Å |
| 48 | R | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 59 Ų | 59 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.7 | 177.7 | 65 | -165.4 | -69.6 | -110.7 | 7.4 | 111.6 | H54 R55 L85 V86 D88 | R48-H54 WeakPolarHBondContact CA-O 3.4Å; R48-R55 HydrophobicContact CB-CG 4.19Å; R48-L85 WeakPolarHBondContact O-CA 3.29Å; R48-V86 HydrophobicContact CG-CB 4.32Å; R48-V86 PolarHBondContact N-O 3.03Å; R48-V86 PolarHBondContact O-N 3.37Å; R48-D88 WeakPolarHBondContact CD-OD2 3.2Å; R48-D88 HydrophobicContact CG-CB 4.34Å; R48-D88 IonicContact NE-OD2 3.98Å |
| 49 | S | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 138 | 168.2 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E51 C52 L53 H54 L79 | S49-E51 VanDerWaalsContact C-N 3.33Å; S49-E51 PolarHBondContact OG-N 3.27Å; S49-E51 VanDerWaalsContact OG-N 3.17Å; S49-C52 VanDerWaalsContact CB-SG 3.52Å; S49-C52 PolarHBondContact OG-N 3.27Å; S49-C52 PolarHBondContact OG-SG 3.06Å; S49-L53 VanDerWaalsContact O-CA 3.25Å; S49-L53 WeakPolarHBondContact O-CA 3.34Å; S49-L53 VanDerWaalsContact O-CD2 3.31Å; S49-L53 WeakPolarHBondContact O-CD2 3.26Å; S49-L53 PolarHBondContact O-N 2.83Å; S49-L53 VanDerWaalsContact O-N 3.09Å; S49-H54 PolarHBondContact N-O 3.03Å; S49-L79 WeakPolarHBondContact OG-CD2 3.28Å |
| 50 | K | 97.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -34.8 | 170.7 | -69 | 177.7 | 179.7 | 171.5 | 0 | 112.8 | R83 S84 V86 | K50-R83 WeakPolarHBondContact CE-O 3.46Å; K50-R83 PolarHBondContact NZ-O 3.12Å; K50-S84 WeakPolarHBondContact CG-O 3.48Å; K50-S84 PolarHBondContact N-O 2.79Å; K50-V86 HydrophobicContact CD-CG2 4.05Å; K50-V86 HydrophobicContact CG-CG2 3.6Å |
| 51 | E | 95.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 66% | 0.659 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -42.9 | -172.4 | -61.4 | -60.7 | 138.3 | 0 | 0 | 112.6 | S49 | S49-E51 VanDerWaalsContact C-N 3.33Å; S49-E51 PolarHBondContact OG-N 3.27Å; S49-E51 VanDerWaalsContact OG-N 3.17Å |
| 52 | C | 97.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 0.6 | -169.2 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | S49 H54 C72 A77 | S49-C52 VanDerWaalsContact CB-SG 3.52Å; S49-C52 PolarHBondContact OG-N 3.27Å; S49-C52 PolarHBondContact OG-SG 3.06Å; C52-H54 PolarHBondContact O-N 3.43Å; C52-H54 PolarHBondContact SG-ND1 3.06Å; C52-C72 VanDerWaalsContact SG-SG 3.65Å; C52-A77 HydrophobicContact CB-CB 4.15Å |
| 53 | L | 97.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 44% | 0.44 | 25% | 0.25 | S | C | . | . | trans | 58.7 | 5.6 | 175.7 | -47.1 | -173.2 | 0 | 0 | 0 | 116.7 | S49 | S49-L53 VanDerWaalsContact O-CA 3.25Å; S49-L53 WeakPolarHBondContact O-CA 3.34Å; S49-L53 VanDerWaalsContact O-CD2 3.31Å; S49-L53 WeakPolarHBondContact O-CD2 3.26Å; S49-L53 PolarHBondContact O-N 2.83Å; S49-L53 VanDerWaalsContact O-N 3.09Å | ||
| 54 | H | 98.4 | Very high | 96.8 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.292 | 26% | 0.256 | S | S | . | . | trans | -61 | 144.2 | 170.2 | -67 | 112.2 | 0 | 0 | 0 | 111.3 | R48 S49 C52 F56 T74 C75 | R48-H54 WeakPolarHBondContact CA-O 3.4Å; S49-H54 PolarHBondContact N-O 3.03Å; C52-H54 PolarHBondContact O-N 3.43Å; C52-H54 PolarHBondContact SG-ND1 3.06Å; H54-F56 HydrophobicContact CB-CE2 3.88Å; H54-F56 HydrophobicContact CB-CZ 3.78Å; H54-T74 VanDerWaalsContact CD2-CG2 3.47Å; H54-T74 WeakPolarHBondContact CD2-CG2 3.33Å; H54-T74 WeakPolarHBondContact NE2-CG2 3.26Å; H54-C75 VanDerWaalsContact CE1-CB 3.49Å; H54-C75 WeakPolarHBondContact CE1-CB 3.36Å; H54-C75 PolarHBondContact CE1-SG 2.8Å; H54-C75 PolarHBondContact ND1-SG 2.85Å | ||
| 55 | R | 98.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 143.7 | -172.1 | -67.5 | -175.8 | 175.3 | 91.9 | -3 | 112 | P37 L43 T46 V47 R48 D88 Y91 | P37-R55 VanDerWaalsContact CD-O 3.28Å; P37-R55 WeakPolarHBondContact CD-O 3.49Å; L43-R55 HydrophobicContact CD1-CB 4.04Å; L43-R55 HydrophobicContact CD2-CB 4.45Å; T46-R55 HydrophobicContact CG2-CB 3.94Å; T46-R55 HydrophobicContact CG2-CG 4.07Å; V47-R55 WeakPolarHBondContact O-CA 3.29Å; R48-R55 HydrophobicContact CB-CG 4.19Å; R55-D88 IonicContact CZ-OD2 3.45Å; R55-D88 IonicContact NE-OD2 2.88Å; R55-D88 PolarHBondContact NE-OD2 2.88Å; R55-D88 IonicContact NH2-OD2 3.09Å; R55-D88 PolarHBondContact NH2-OD2 3.38Å; R55-D88 VanDerWaalsContact NH2-OD2 3.09Å; R55-Y91 VanDerWaalsContact CZ-CD2 3.46Å |
| 56 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159 | -179.9 | -48.7 | -84.1 | 0 | 0 | 0 | 110.1 | P37 I38 L43 V47 H54 K58 I61 P73 | P37-F56 HydrophobicContact CG-CD1 3.5Å; P37-F56 VanDerWaalsContact CG-CD1 3.5Å; P37-F56 HydrophobicContact CG-CE1 3.33Å; P37-F56 HydrophobicContact CG-CZ 4.4Å; I38-F56 HydrophobicContact CD1-CB 4.29Å; I38-F56 HydrophobicContact CD1-CD1 3.61Å; I38-F56 HydrophobicContact CD1-CE1 4.33Å; I38-F56 HydrophobicContact CD1-CG 4.19Å; I38-F56 HydrophobicContact CG1-CD1 3.82Å; I38-F56 HydrophobicContact CG1-CE1 4.32Å; L43-F56 VanDerWaalsContact CD2-CA 3.49Å; V47-F56 WeakPolarHBondContact CG2-O 3.1Å; V47-F56 PolarHBondContact N-O 2.86Å; V47-F56 PolarHBondContact O-N 3.37Å; H54-F56 HydrophobicContact CB-CE2 3.88Å; H54-F56 HydrophobicContact CB-CZ 3.78Å; F56-K58 PolarHBondContact O-N 3.4Å; F56-I61 HydrophobicContact CB-CB 3.69Å; F56-I61 HydrophobicContact CB-CG1 4.49Å; F56-I61 HydrophobicContact CB-CG2 3.95Å; F56-I61 HydrophobicContact CD1-CD1 4.46Å; F56-I61 HydrophobicContact CD2-CB 4.16Å; F56-I61 HydrophobicContact CD2-CD1 4.12Å; F56-I61 HydrophobicContact CD2-CG1 4.04Å; F56-I61 HydrophobicContact CE2-CD1 4.29Å; F56-I61 HydrophobicContact CG-CB 3.93Å; F56-I61 HydrophobicContact CG-CD1 4.23Å; F56-I61 HydrophobicContact CG-CG1 4.23Å; F56-P73 HydrophobicContact CE1-CB 4Å; F56-P73 HydrophobicContact CE1-CG 3.94Å; F56-P73 HydrophobicContact CZ-CG 4.38Å |
| 57 | C | 98.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.9 | 162.5 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | C36 K44 E59 C60 I61 | C36-C57 VanDerWaalsContact CB-SG 3.59Å; C36-C57 PolarHBondContact SG-N 3.05Å; K44-C57 PolarHBondContact N-SG 2.86Å; K44-C57 VanDerWaalsContact N-SG 3.36Å; K44-C57 VanDerWaalsContact O-CA 3.24Å; K44-C57 WeakPolarHBondContact O-CA 3.23Å; K44-C57 WeakPolarHBondContact O-CB 3.46Å; C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 2.84Å; C57-C60 HydrophobicContact CB-CB 3.98Å; C57-C60 PolarHBondContact O-N 2.84Å; C57-I61 PolarHBondContact O-N 2.83Å; C57-I61 VanDerWaalsContact O-N 3.1Å |
| 58 | K | 97.8 | Very high | 94.7 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -48.8 | -45.4 | 179.1 | 178.5 | -177.6 | 167.1 | -164.3 | 0 | 113.4 | E45 V47 F56 G62 | E45-K58 HydrophobicContact CB-CB 3.99Å; E45-K58 HydrophobicContact CB-CD 4.26Å; E45-K58 VanDerWaalsContact O-CB 3.23Å; E45-K58 WeakPolarHBondContact O-CB 3.45Å; E45-K58 PolarHBondContact O-N 2.77Å; E45-K58 WeakPolarHBondContact OE2-CD 3.18Å; E45-K58 IonicContact OE2-NZ 3.25Å; E45-K58 PolarHBondContact OE2-NZ 2.83Å; V47-K58 HydrophobicContact CG1-CB 3.81Å; V47-K58 HydrophobicContact CG1-CG 4.1Å; F56-K58 PolarHBondContact O-N 3.4Å; K58-G62 WeakPolarHBondContact O-CA 3.13Å; K58-G62 PolarHBondContact O-N 2.96Å |
| 59 | E | 95.5 | Very high | 94.1 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | 178.3 | -64.5 | -166.6 | 162.8 | 0 | 0 | 113.2 | C57 G62 R63 | C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 2.84Å; E59-G62 PolarHBondContact O-N 3.14Å; E59-R63 WeakPolarHBondContact O-CB 3.38Å; E59-R63 PolarHBondContact O-N 3.41Å; E59-R63 IonicContact OE2-NH2 2.7Å; E59-R63 PolarHBondContact OE2-NH2 3.11Å |
| 60 | C | 96.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -52.4 | -176.5 | -72.7 | 0 | 0 | 0 | 0 | 110.8 | I38 C57 G62 R63 A64 T197 | I38-C60 HydrophobicContact CB-CB 4.04Å; I38-C60 HydrophobicContact CD1-CB 3.81Å; I38-C60 HydrophobicContact CG2-CB 4.19Å; C57-C60 HydrophobicContact CB-CB 3.98Å; C57-C60 PolarHBondContact O-N 2.84Å; C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 2.86Å; C60-R63 PolarHBondContact O-N 2.91Å; C60-A64 PolarHBondContact O-N 3.42Å; C60-T197 HydrophobicContact CB-CG2 4.34Å |
| 61 | I | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -32.7 | 177 | -169.2 | 63.5 | 0 | 0 | 0 | 111.3 | I38 V47 F56 C57 R63 A64 L65 P73 L79 L85 | I38-I61 HydrophobicContact CD1-CB 4.12Å; I38-I61 HydrophobicContact CD1-CD1 4.18Å; V47-I61 HydrophobicContact CG2-CG2 3.41Å; V47-I61 VanDerWaalsContact CG2-CG2 3.41Å; F56-I61 HydrophobicContact CB-CB 3.69Å; F56-I61 HydrophobicContact CB-CG1 4.49Å; F56-I61 HydrophobicContact CB-CG2 3.95Å; F56-I61 HydrophobicContact CD1-CD1 4.46Å; F56-I61 HydrophobicContact CD2-CB 4.16Å; F56-I61 HydrophobicContact CD2-CD1 4.12Å; F56-I61 HydrophobicContact CD2-CG1 4.04Å; F56-I61 HydrophobicContact CE2-CD1 4.29Å; F56-I61 HydrophobicContact CG-CB 3.93Å; F56-I61 HydrophobicContact CG-CD1 4.23Å; F56-I61 HydrophobicContact CG-CG1 4.23Å; C57-I61 PolarHBondContact O-N 2.83Å; C57-I61 VanDerWaalsContact O-N 3.1Å; I61-R63 VanDerWaalsContact C-N 3.31Å; I61-R63 PolarHBondContact O-N 2.92Å; I61-A64 HydrophobicContact CD1-CB 4.5Å; I61-A64 PolarHBondContact O-N 3.1Å; I61-L65 HydrophobicContact CD1-CG 4.4Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.24Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.19Å; I61-L65 PolarHBondContact O-N 2.82Å; I61-P73 HydrophobicContact CD1-CG 3.8Å; I61-L79 HydrophobicContact CD1-CD1 4.11Å; I61-L85 HydrophobicContact CB-CD1 4.39Å; I61-L85 HydrophobicContact CG1-CD1 3.87Å; I61-L85 HydrophobicContact CG1-CD2 4.24Å; I61-L85 HydrophobicContact CG2-CD1 3.57Å |
| 62 | G | 94.7 | Very high | 94 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K58 E59 C60 R66 | K58-G62 WeakPolarHBondContact O-CA 3.13Å; K58-G62 PolarHBondContact O-N 2.96Å; E59-G62 PolarHBondContact O-N 3.14Å; C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 2.86Å; G62-R66 WeakPolarHBondContact O-CG 3.1Å |
| 63 | R | 92.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -47.6 | 174.2 | -84.5 | -175.8 | -75.1 | -172.6 | -15 | 112.1 | E59 C60 I61 L65 R66 T67 L196 T197 S204 | E59-R63 WeakPolarHBondContact O-CB 3.38Å; E59-R63 PolarHBondContact O-N 3.41Å; E59-R63 IonicContact OE2-NH2 2.7Å; E59-R63 PolarHBondContact OE2-NH2 3.11Å; C60-R63 PolarHBondContact O-N 2.91Å; I61-R63 VanDerWaalsContact C-N 3.31Å; I61-R63 PolarHBondContact O-N 2.92Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.45Å; R63-R66 WeakPolarHBondContact O-CB 3.48Å; R63-R66 PolarHBondContact O-N 3.07Å; R63-T67 PolarHBondContact O-N 2.88Å; R63-T67 PolarHBondContact O-OG1 2.89Å; R63-L196 HydrophobicContact CB-CD1 4.25Å; R63-L196 HydrophobicContact CB-CG 4.45Å; R63-L196 WeakPolarHBondContact CD-O 3.42Å; R63-L196 VanDerWaalsContact CZ-O 3.3Å; R63-L196 PolarHBondContact NE-O 3.11Å; R63-L196 PolarHBondContact NH1-O 2.69Å; R63-T197 VanDerWaalsContact CZ-C 3.41Å; R63-T197 VanDerWaalsContact CZ-CA 3.44Å; R63-T197 VanDerWaalsContact NH1-CA 3.33Å; R63-T197 PolarHBondContact NH1-O 3.32Å; R63-T197 VanDerWaalsContact NH1-O 3.13Å; R63-T197 PolarHBondContact NH2-O 3.14Å; R63-S204 PolarHBondContact NH1-OG 3.13Å |
| 64 | A | 90.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I38 C60 I61 R66 T67 | I38-A64 HydrophobicContact CD1-CB 4.43Å; C60-A64 PolarHBondContact O-N 3.42Å; I61-A64 HydrophobicContact CD1-CB 4.5Å; I61-A64 PolarHBondContact O-N 3.1Å; A64-R66 VanDerWaalsContact C-N 3.27Å; A64-R66 PolarHBondContact O-N 3.39Å; A64-T67 PolarHBondContact O-N 2.94Å |
| 65 | L | 92.7 | Very high | 93.6 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -23.1 | 177.8 | -67.9 | 177 | 0 | 0 | 0 | 113.5 | I61 R63 L79 L85 | I61-L65 HydrophobicContact CD1-CG 4.4Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.24Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.19Å; I61-L65 PolarHBondContact O-N 2.82Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.45Å; L65-L79 HydrophobicContact CD2-CB 3.84Å; L65-L79 HydrophobicContact CD2-CD1 4.44Å; L65-L85 HydrophobicContact CD1-CD1 3.92Å |
| 66 | R | 89 | Confident | 93.5 | Very high | 147 Ų | 147 | 64.1 Ų | 64.1 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.5 | -27 | 175.5 | -75.9 | -169.3 | -60.8 | -114.1 | 13.8 | 112.8 | G62 R63 A64 G68 | G62-R66 WeakPolarHBondContact O-CG 3.1Å; R63-R66 WeakPolarHBondContact O-CB 3.48Å; R63-R66 PolarHBondContact O-N 3.07Å; A64-R66 VanDerWaalsContact C-N 3.27Å; A64-R66 PolarHBondContact O-N 3.39Å; R66-G68 PolarHBondContact O-N 3.29Å; R66-G68 VanDerWaalsContact O-N 3.15Å |
| 67 | T | 83 | Confident | 93.4 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.9 | 176 | -47.8 | 0 | 0 | 0 | 0 | 112.6 | R63 A64 | R63-T67 PolarHBondContact O-N 2.88Å; R63-T67 PolarHBondContact O-OG1 2.89Å; A64-T67 PolarHBondContact O-N 2.94Å |
| 68 | G | 83 | Confident | 93.3 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -17.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R66 R70 | R66-G68 PolarHBondContact O-N 3.29Å; R66-G68 VanDerWaalsContact O-N 3.15Å; G68-R70 PolarHBondContact O-N 2.8Å; G68-R70 VanDerWaalsContact O-N 3.11Å |
| 69 | N | 86.1 | Confident | 93.3 | Very high | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | trans | -74 | 100.6 | 173.1 | -71.9 | -18.3 | 0 | 0 | 0 | 110.3 | E71 | N69-E71 PolarHBondContact O-N 3.14Š| ||
| 70 | R | 93.8 | Very high | 93.2 | Very high | 146 Ų | 146 | 63.9 Ų | 63.9 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | trans | -90.7 | 47.2 | -177.7 | -64.2 | 180 | -168.5 | -108.1 | 1.1 | 112.2 | G68 L79 P80 | G68-R70 PolarHBondContact O-N 2.8Å; G68-R70 VanDerWaalsContact O-N 3.11Å; R70-L79 WeakPolarHBondContact CB-O 3.09Å; R70-L79 CarbonylContact O-C 3.55Å; R70-L79 PolarHBondContact O-N 2.91Å; R70-P80 PolarHBondContact NH1-O 3.27Å | ||
| 71 | E | 95.8 | Very high | 93 | Very high | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -132.2 | 153.5 | -177.3 | -68.3 | -176.4 | 179.9 | 0 | 0 | 110.7 | N69 P73 A77 | N69-E71 PolarHBondContact O-N 3.14Å; E71-P73 WeakPolarHBondContact O-CD 3.34Å; E71-A77 CarbonylContact C-O 3.48Å; E71-A77 WeakPolarHBondContact CA-O 3.22Å |
| 72 | C | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 36% | 0.36 | C | S | . | . | trans | -65.8 | 122.7 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | C52 T74 C75 R76 A77 L79 | C52-C72 VanDerWaalsContact SG-SG 3.65Å; C72-T74 PolarHBondContact O-N 3.28Å; C72-C75 PolarHBondContact O-N 2.87Å; C72-R76 VanDerWaalsContact O-CA 3.24Å; C72-R76 WeakPolarHBondContact O-CA 3.26Å; C72-R76 PolarHBondContact O-N 2.84Å; C72-A77 HydrophobicContact CB-CB 4.21Å; C72-A77 WeakPolarHBondContact CB-O 3.48Å; C72-A77 PolarHBondContact N-O 2.91Å; C72-L79 HydrophobicContact CB-CD1 4.02Å; C72-L79 HydrophobicContact CB-CG 4.25Å | ||
| 73 | P | 94.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 80.3 Ų | 80.3 | 42% | 0.416 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.2 | 177.9 | -28 | 36.3 | 0 | 0 | 0 | 114.6 | I38 F56 I61 E71 | I38-P73 HydrophobicContact CD1-CG 3.98Å; I38-P73 HydrophobicContact CG1-CB 4.14Å; I38-P73 HydrophobicContact CG1-CG 4.03Å; F56-P73 HydrophobicContact CE1-CB 4Å; F56-P73 HydrophobicContact CE1-CG 3.94Å; F56-P73 HydrophobicContact CZ-CG 4.38Å; I61-P73 HydrophobicContact CD1-CG 3.8Å; E71-P73 WeakPolarHBondContact O-CD 3.34Å |
| 74 | T | 94.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 80.2 Ų | 80.2 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -46.7 | -179 | -46.4 | 0 | 0 | 0 | 0 | 113 | H54 C72 | H54-T74 VanDerWaalsContact CD2-CG2 3.47Å; H54-T74 WeakPolarHBondContact CD2-CG2 3.33Å; H54-T74 WeakPolarHBondContact NE2-CG2 3.26Å; C72-T74 PolarHBondContact O-N 3.28Å |
| 75 | C | 97.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 80.5 Ų | 80.5 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 4.9 | -170.5 | 69.8 | 0 | 0 | 0 | 0 | 115 | H54 C72 A77 | H54-C75 VanDerWaalsContact CE1-CB 3.49Å; H54-C75 WeakPolarHBondContact CE1-CB 3.36Å; H54-C75 PolarHBondContact CE1-SG 2.8Å; H54-C75 PolarHBondContact ND1-SG 2.85Å; C72-C75 PolarHBondContact O-N 2.87Å; C75-A77 PolarHBondContact O-N 3.46Å; C75-A77 VanDerWaalsContact SG-CB 3.56Å |
| 76 | R | 95.8 | Very high | 93.7 | Very high | 198 Ų | 198 | 82.1 Ų | 82.1 | 75% | 0.747 | 41% | 0.407 | S | S | * | . | trans | 61.1 | 7.8 | -178.7 | -52.4 | -177.9 | -171.7 | 174 | 1.9 | 116.1 | C72 K78 | C72-R76 VanDerWaalsContact O-CA 3.24Å; C72-R76 WeakPolarHBondContact O-CA 3.26Å; C72-R76 PolarHBondContact O-N 2.84Å; R76-K78 PolarHBondContact O-N 3.35Å | ||
| 77 | A | 96.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 79.7 Ų | 79.7 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | trans | -54.8 | 141.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | C52 E71 C72 C75 L79 | C52-A77 HydrophobicContact CB-CB 4.15Å; E71-A77 CarbonylContact C-O 3.48Å; E71-A77 WeakPolarHBondContact CA-O 3.22Å; C72-A77 HydrophobicContact CB-CB 4.21Å; C72-A77 WeakPolarHBondContact CB-O 3.48Å; C72-A77 PolarHBondContact N-O 2.91Å; C75-A77 PolarHBondContact O-N 3.46Å; C75-A77 VanDerWaalsContact SG-CB 3.56Å; A77-L79 PolarHBondContact O-N 3.12Å | ||
| 78 | K | 96.3 | Very high | 94.9 | Very high | 155 Ų | 155 | 76.9 Ų | 76.9 | 67% | 0.674 | 39% | 0.392 | S | S | * | . | B | Isolated β-bridge | trans | -63.2 | 128.3 | -175.5 | -164.8 | 176.3 | -176.9 | 172.9 | 0 | 111.1 | R76 P80 | R76-K78 PolarHBondContact O-N 3.35Å; K78-P80 HydrophobicContact CD-CG 4.33Å; K78-P80 HydrophobicContact CG-CG 4.06Å; K78-P80 WeakPolarHBondContact O-CD 3.31Å |
| 79 | L | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -121.3 | 78.9 | 173.4 | -64.2 | -177.1 | 0 | 0 | 0 | 109.3 | S49 I61 L65 R70 C72 A77 S81 L85 | S49-L79 WeakPolarHBondContact OG-CD2 3.28Å; I61-L79 HydrophobicContact CD1-CD1 4.11Å; L65-L79 HydrophobicContact CD2-CB 3.84Å; L65-L79 HydrophobicContact CD2-CD1 4.44Å; R70-L79 WeakPolarHBondContact CB-O 3.09Å; R70-L79 CarbonylContact O-C 3.55Å; R70-L79 PolarHBondContact O-N 2.91Å; C72-L79 HydrophobicContact CB-CD1 4.02Å; C72-L79 HydrophobicContact CB-CG 4.25Å; A77-L79 PolarHBondContact O-N 3.12Å; L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 2.83Å; L79-S81 VanDerWaalsContact O-N 3.14Å; L79-L85 HydrophobicContact CD1-CD2 4.4Å | ||
| 80 | P | 93.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | trans | -57.6 | -33.3 | -171.2 | -25.8 | 32.5 | 0 | 0 | 0 | 114.7 | R70 K78 S84 | R70-P80 PolarHBondContact NH1-O 3.27Å; K78-P80 HydrophobicContact CD-CG 4.33Å; K78-P80 HydrophobicContact CG-CG 4.06Å; K78-P80 WeakPolarHBondContact O-CD 3.31Å; P80-S84 WeakPolarHBondContact CD-OG 3.42Å | ||
| 81 | S | 93.6 | Very high | 96.3 | Very high | 33 Ų | 33 | 72 Ų | 72 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -159.8 | 173.9 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | L79 R83 S84 | L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 2.83Å; L79-S81 VanDerWaalsContact O-N 3.14Å; S81-R83 PolarHBondContact O-N 3.34Å; S81-R83 WeakPolarHBondContact OG-CB 3.35Å; S81-R83 PolarHBondContact OG-N 2.91Å; S81-S84 WeakPolarHBondContact O-CB 3.4Å; S81-S84 PolarHBondContact O-N 3.02Å; S81-S84 PolarHBondContact O-OG 2.99Å |
| 82 | K | 93.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 68.7 Ų | 68.7 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -55.7 | -22.3 | 172.1 | -68.5 | -173.7 | 176 | -173.9 | 0 | 113.8 | S84 L85 | K82-S84 PolarHBondContact O-N 3.31Å; K82-L85 WeakPolarHBondContact O-CB 3.38Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-L85 VanDerWaalsContact O-N 3.07Å |
| 83 | R | 95.4 | Very high | 96.3 | Very high | 207 Ų | 207 | 71.8 Ų | 71.8 | 78% | 0.781 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -68 | -15.2 | 176.3 | -61.6 | -177.3 | -69.9 | -179.7 | -2.4 | 113.7 | K50 S81 | K50-R83 WeakPolarHBondContact CE-O 3.46Å; K50-R83 PolarHBondContact NZ-O 3.12Å; S81-R83 PolarHBondContact O-N 3.34Å; S81-R83 WeakPolarHBondContact OG-CB 3.35Å; S81-R83 PolarHBondContact OG-N 2.91Å |
| 84 | S | 95.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 72.3 Ų | 72.3 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -81.4 | -3 | 173 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | K50 P80 S81 K82 | K50-S84 WeakPolarHBondContact CG-O 3.48Å; K50-S84 PolarHBondContact N-O 2.79Å; P80-S84 WeakPolarHBondContact CD-OG 3.42Å; S81-S84 WeakPolarHBondContact O-CB 3.4Å; S81-S84 PolarHBondContact O-N 3.02Å; S81-S84 PolarHBondContact O-OG 2.99Å; K82-S84 PolarHBondContact O-N 3.31Å |
| 85 | L | 98.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.7 | 178.2 | -55.1 | 173 | 0 | 0 | 0 | 110 | V47 R48 I61 L65 L79 K82 | V47-L85 HydrophobicContact CB-CB 4.48Å; V47-L85 HydrophobicContact CG2-CD1 4.41Å; R48-L85 WeakPolarHBondContact O-CA 3.29Å; I61-L85 HydrophobicContact CB-CD1 4.39Å; I61-L85 HydrophobicContact CG1-CD1 3.87Å; I61-L85 HydrophobicContact CG1-CD2 4.24Å; I61-L85 HydrophobicContact CG2-CD1 3.57Å; L65-L85 HydrophobicContact CD1-CD1 3.92Å; L79-L85 HydrophobicContact CD1-CD2 4.4Å; K82-L85 WeakPolarHBondContact O-CB 3.38Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-L85 VanDerWaalsContact O-N 3.07Å |
| 86 | V | 98.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 70.6 Ų | 70.6 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.1 | 177 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | V47 R48 K50 | V47-V86 CarbonylContact C-O 3.47Å; V47-V86 VanDerWaalsContact CA-O 3.3Å; V47-V86 WeakPolarHBondContact CA-O 3.22Å; R48-V86 HydrophobicContact CG-CB 4.32Å; R48-V86 PolarHBondContact N-O 3.03Å; R48-V86 PolarHBondContact O-N 3.37Å; K50-V86 HydrophobicContact CD-CG2 4.05Å; K50-V86 HydrophobicContact CG-CG2 3.6Å |
| 87 | P | 98.7 | Very high | 95.4 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 142.2 | 168.5 | -24 | 34.8 | 0 | 0 | 0 | 112 | P89 | P87-P89 VanDerWaalsContact C-CD 3.49Å; P87-P89 WeakPolarHBondContact O-CD 3.49Å |
| 88 | D | 98.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | trans | -125.9 | 68.7 | 179.6 | -166.2 | -3.8 | 0 | 0 | 0 | 110.3 | T46 R48 R55 T90 Y91 D92 | T46-D88 HydrophobicContact CG2-CB 4.24Å; T46-D88 PolarHBondContact O-N 3.38Å; R48-D88 WeakPolarHBondContact CD-OD2 3.2Å; R48-D88 HydrophobicContact CG-CB 4.34Å; R48-D88 IonicContact NE-OD2 3.98Å; R55-D88 IonicContact CZ-OD2 3.45Å; R55-D88 IonicContact NE-OD2 2.88Å; R55-D88 PolarHBondContact NE-OD2 2.88Å; R55-D88 IonicContact NH2-OD2 3.09Å; R55-D88 PolarHBondContact NH2-OD2 3.38Å; R55-D88 VanDerWaalsContact NH2-OD2 3.09Å; D88-T90 PolarHBondContact O-N 3.4Å; D88-Y91 WeakPolarHBondContact O-CB 3.48Å; D88-Y91 PolarHBondContact O-N 3.13Å; D88-Y91 PolarHBondContact OD1-N 2.9Å; D88-D92 PolarHBondContact O-N 2.64Å | ||
| 89 | P | 98 | Very high | 94 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66 | -23.4 | -176 | 27.9 | -35.9 | 0 | 0 | 0 | 113 | P87 Y91 D92 S93 | P87-P89 VanDerWaalsContact C-CD 3.49Å; P87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.13Å; P89-D92 PolarHBondContact O-N 2.95Å; P89-S93 PolarHBondContact O-N 3.03Å; P89-S93 PolarHBondContact O-OG 3.4Å |
| 90 | T | 97.6 | Very high | 93.1 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 58% | 0.577 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 171.5 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | D88 S93 I94 | D88-T90 PolarHBondContact O-N 3.4Å; T90-S93 WeakPolarHBondContact O-CB 3.23Å; T90-S93 PolarHBondContact O-N 3.21Å; T90-I94 HydrophobicContact CG2-CD1 4.38Å; T90-I94 WeakPolarHBondContact O-CG1 3.41Å; T90-I94 PolarHBondContact O-N 3.34Å |
| 91 | Y | 97.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 66 Ų | 66 | 12% | 0.122 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 177.1 | -153.4 | -97.5 | 0 | 0 | 0 | 112.4 | E33 L34 L43 T46 R55 D88 P89 S93 I94 I95 | E33-Y91 PolarHBondContact O-OH 3.17Å; L34-Y91 HydrophobicContact CD2-CE1 4.17Å; L43-Y91 HydrophobicContact CD1-CD1 4.15Å; L43-Y91 HydrophobicContact CD1-CE1 3.63Å; T46-Y91 HydrophobicContact CG2-CD1 3.93Å; T46-Y91 HydrophobicContact CG2-CG 4.37Å; R55-Y91 VanDerWaalsContact CZ-CD2 3.46Å; D88-Y91 WeakPolarHBondContact O-CB 3.48Å; D88-Y91 PolarHBondContact O-N 3.13Å; D88-Y91 PolarHBondContact OD1-N 2.9Å; P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.13Å; Y91-S93 VanDerWaalsContact C-N 3.27Å; Y91-S93 PolarHBondContact O-N 3.06Å; Y91-I94 PolarHBondContact O-N 3.02Å; Y91-I95 HydrophobicContact CD1-CD1 3.59Å; Y91-I95 HydrophobicContact CD1-CG1 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CG1 4.2Å; Y91-I95 WeakPolarHBondContact O-CG1 3.29Å; Y91-I95 PolarHBondContact O-N 3.12Å |
| 92 | D | 96.8 | Very high | 90 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 172 | -67.7 | -37.8 | 0 | 0 | 0 | 111.3 | T46 D88 P89 I94 I95 N96 | T46-D92 WeakPolarHBondContact CB-OD1 3.23Å; T46-D92 PolarHBondContact N-OD1 3.01Å; T46-D92 PolarHBondContact N-OD2 3.49Å; T46-D92 PolarHBondContact OG1-OD1 3.45Å; D88-D92 PolarHBondContact O-N 2.64Å; P89-D92 PolarHBondContact O-N 2.95Å; D92-I94 PolarHBondContact O-N 3.38Å; D92-I95 PolarHBondContact O-N 2.89Å; D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.31Å |
| 93 | S | 95.7 | Very high | 88.1 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | P89 T90 Y91 N96 I97 | P89-S93 PolarHBondContact O-N 3.03Å; P89-S93 PolarHBondContact O-OG 3.4Å; T90-S93 WeakPolarHBondContact O-CB 3.23Å; T90-S93 PolarHBondContact O-N 3.21Å; Y91-S93 VanDerWaalsContact C-N 3.27Å; Y91-S93 PolarHBondContact O-N 3.06Å; S93-N96 PolarHBondContact O-N 2.86Å; S93-I97 WeakPolarHBondContact O-CG1 3.31Å; S93-I97 PolarHBondContact O-N 3.25Å |
| 94 | I | 92.2 | Very high | 85.8 | Confident | 74 Ų | 74 | 65 Ų | 65 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.5 | -68.7 | 164.5 | 0 | 0 | 0 | 110.9 | T90 Y91 D92 N96 I97 I98 | T90-I94 HydrophobicContact CG2-CD1 4.38Å; T90-I94 WeakPolarHBondContact O-CG1 3.41Å; T90-I94 PolarHBondContact O-N 3.34Å; Y91-I94 PolarHBondContact O-N 3.02Å; D92-I94 PolarHBondContact O-N 3.38Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 PolarHBondContact O-N 2.88Å; I94-I97 PolarHBondContact O-N 2.98Å; I94-I98 HydrophobicContact CG2-CD1 3.64Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.2Å; I94-I98 VanDerWaalsContact O-N 3.14Å |
| 95 | I | 92.3 | Very high | 83.3 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 176.7 | -71.2 | 160 | 0 | 0 | 0 | 110.5 | L34 I42 L43 Y91 D92 I97 I98 S99 | L34-I95 HydrophobicContact CB-CG1 4.45Å; L34-I95 HydrophobicContact CD2-CG1 3.84Å; L34-I95 HydrophobicContact CG-CG1 4.47Å; I42-I95 HydrophobicContact CG2-CG2 3.59Å; L43-I95 HydrophobicContact CB-CD1 3.64Å; L43-I95 HydrophobicContact CD1-CD1 4.49Å; Y91-I95 HydrophobicContact CD1-CD1 3.59Å; Y91-I95 HydrophobicContact CD1-CG1 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CG1 4.2Å; Y91-I95 WeakPolarHBondContact O-CG1 3.29Å; Y91-I95 PolarHBondContact O-N 3.12Å; D92-I95 PolarHBondContact O-N 2.89Å; I95-I97 PolarHBondContact O-N 2.89Å; I95-I98 PolarHBondContact O-N 2.97Å; I95-S99 VanDerWaalsContact O-CB 3.27Å; I95-S99 WeakPolarHBondContact O-CB 3.32Å; I95-S99 PolarHBondContact O-N 3.25Å; I95-S99 PolarHBondContact O-OG 3.4Å |
| 96 | N | 90.3 | Very high | 80.3 | Confident | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.8 | -50.1 | -179.2 | -69.9 | -15.5 | 0 | 0 | 0 | 111.2 | D92 S93 I94 I98 S99 E100 | D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.31Å; S93-N96 PolarHBondContact O-N 2.86Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 PolarHBondContact O-N 2.88Å; N96-I98 VanDerWaalsContact C-N 3.31Å; N96-I98 PolarHBondContact O-N 2.99Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 VanDerWaalsContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.75Å; N96-E100 WeakPolarHBondContact O-CB 3.39Å; N96-E100 VanDerWaalsContact O-CG 3.29Å; N96-E100 WeakPolarHBondContact O-CG 3.2Å; N96-E100 PolarHBondContact O-N 3.45Å |
| 97 | I | 87.6 | Confident | 77.3 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.4 | -46 | 178 | -65.8 | 164.7 | 0 | 0 | 0 | 111.6 | S93 I94 I95 S101 | S93-I97 WeakPolarHBondContact O-CG1 3.31Å; S93-I97 PolarHBondContact O-N 3.25Å; I94-I97 PolarHBondContact O-N 2.98Å; I95-I97 PolarHBondContact O-N 2.89Å; I97-S101 PolarHBondContact O-N 3.42Å; I97-S101 PolarHBondContact O-OG 3.47Å |
| 98 | I | 85.2 | Confident | 74.3 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.9 | -39.3 | -178.4 | -64.3 | 164.9 | 0 | 0 | 0 | 110.8 | P27 L30 L34 I94 I95 N96 C102 | P27-I98 HydrophobicContact CB-CG2 3.82Å; P27-I98 HydrophobicContact CG-CG2 4.35Å; L30-I98 HydrophobicContact CD1-CD1 3.75Å; L30-I98 HydrophobicContact CD1-CG1 4.45Å; L30-I98 HydrophobicContact CD1-CG2 4.4Å; L34-I98 HydrophobicContact CD1-CB 4.13Å; L34-I98 HydrophobicContact CD1-CD1 3.98Å; L34-I98 HydrophobicContact CD1-CG2 3.82Å; L34-I98 HydrophobicContact CD2-CD1 4.31Å; I94-I98 HydrophobicContact CG2-CD1 3.64Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.2Å; I94-I98 VanDerWaalsContact O-N 3.14Å; I95-I98 PolarHBondContact O-N 2.97Å; N96-I98 VanDerWaalsContact C-N 3.31Å; N96-I98 PolarHBondContact O-N 2.99Å; I98-C102 PolarHBondContact O-N 3.22Å; I98-C102 PolarHBondContact O-SG 2.93Å |
| 99 | S | 80.3 | Confident | 71.4 | Confident | 30 Ų | 30 | 79 Ų | 79 | 21% | 0.21 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73.7 | -37.4 | -177.7 | 73 | 0 | 0 | 0 | 0 | 113.2 | I95 N96 S101 C102 Q103 | I95-S99 VanDerWaalsContact O-CB 3.27Å; I95-S99 WeakPolarHBondContact O-CB 3.32Å; I95-S99 PolarHBondContact O-N 3.25Å; I95-S99 PolarHBondContact O-OG 3.4Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 VanDerWaalsContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.75Å; S99-S101 VanDerWaalsContact C-N 3.34Å; S99-C102 WeakPolarHBondContact O-CB 3.27Å; S99-C102 PolarHBondContact O-N 2.98Å; S99-C102 VanDerWaalsContact O-N 3.15Å; S99-Q103 PolarHBondContact O-N 3.19Å |
| 100 | E | 75.8 | Confident | 68.1 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.3 | -73.2 | 169.5 | -165.4 | 0 | 0 | 111 | N96 C102 Q103 Q104 | N96-E100 WeakPolarHBondContact O-CB 3.39Å; N96-E100 VanDerWaalsContact O-CG 3.29Å; N96-E100 WeakPolarHBondContact O-CG 3.2Å; N96-E100 PolarHBondContact O-N 3.45Å; E100-C102 PolarHBondContact O-N 3.38Å; E100-Q103 PolarHBondContact O-N 3.24Å; E100-Q103 VanDerWaalsContact O-N 3.14Å; E100-Q104 PolarHBondContact O-N 3.48Å |
| 101 | S | 63.3 | Low | 64.7 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -27.7 | 174.4 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | I97 S99 S105 | I97-S101 PolarHBondContact O-N 3.42Å; I97-S101 PolarHBondContact O-OG 3.47Å; S99-S101 VanDerWaalsContact C-N 3.34Å; S101-S105 PolarHBondContact O-OG 3.43Å |
| 102 | C | 60 | Low | 61.3 | Low | 42 Ų | 42 | 85.8 Ų | 85.8 | 28% | 0.284 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -78 | -38.5 | 174.6 | -58.3 | 0 | 0 | 0 | 0 | 113 | P27 I98 S99 E100 Q104 S105 A106 | P27-C102 WeakPolarHBondContact CB-SG 3.45Å; P27-C102 WeakPolarHBondContact CG-SG 3.32Å; I98-C102 PolarHBondContact O-N 3.22Å; I98-C102 PolarHBondContact O-SG 2.93Å; S99-C102 WeakPolarHBondContact O-CB 3.27Å; S99-C102 PolarHBondContact O-N 2.98Å; S99-C102 VanDerWaalsContact O-N 3.15Å; E100-C102 PolarHBondContact O-N 3.38Å; C102-Q104 VanDerWaalsContact C-N 3.26Å; C102-Q104 PolarHBondContact O-N 2.86Å; C102-S105 PolarHBondContact O-N 3.48Å; C102-S105 VanDerWaalsContact O-N 3.09Å; C102-S105 PolarHBondContact O-OG 2.76Å; C102-A106 PolarHBondContact O-N 3.32Å |
| 103 | Q | 53.3 | Low | 57.9 | Low | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.5 | -32.7 | -175.3 | -71.1 | 176.4 | 24.9 | 0 | 0 | 111.1 | S99 E100 S105 A107 | S99-Q103 PolarHBondContact O-N 3.19Å; E100-Q103 PolarHBondContact O-N 3.24Å; E100-Q103 VanDerWaalsContact O-N 3.14Å; Q103-S105 PolarHBondContact O-N 3.35Å; Q103-A107 PolarHBondContact O-N 3.02Å |
| 104 | Q | 46.9 | Very low | 54.4 | Low | 163 Ų | 163 | 92.8 Ų | 92.8 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.7 | -23 | 173.1 | -68.9 | 172.6 | 2.8 | 0 | 0 | 113.3 | E100 C102 | E100-Q104 PolarHBondContact O-N 3.48Å; C102-Q104 VanDerWaalsContact C-N 3.26Å; C102-Q104 PolarHBondContact O-N 2.86Å |
| 105 | S | 43 | Very low | 51.1 | Low | 71 Ų | 71 | 99 Ų | 99 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -99 | -31.3 | 176.6 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | S101 C102 Q103 Q108 | S101-S105 PolarHBondContact O-OG 3.43Å; C102-S105 PolarHBondContact O-N 3.48Å; C102-S105 VanDerWaalsContact O-N 3.09Å; C102-S105 PolarHBondContact O-OG 2.76Å; Q103-S105 PolarHBondContact O-N 3.35Å; S105-Q108 PolarHBondContact O-N 3.46Å |
| 106 | A | 35.7 | Very low | 47.9 | Very low | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.9 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C102 Q108 L109 | C102-A106 PolarHBondContact O-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.42Å; A106-L109 PolarHBondContact O-N 3.05Å |
| 107 | A | 34.5 | Very low | 44.8 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -11 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q103 | Q103-A107 PolarHBondContact O-N 3.02Š|
| 108 | Q | 36.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 107.1 Ų | 107.1 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -3 | 175.7 | -164.3 | 165.7 | -20.5 | 0 | 0 | 113.9 | S105 A106 | S105-Q108 PolarHBondContact O-N 3.46Å; A106-Q108 PolarHBondContact O-N 3.42Å |
| 109 | L | 37.5 | Very low | 39.1 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | -114.2 | 8.6 | -173.9 | -65.4 | 175.5 | 0 | 0 | 0 | 115.5 | A106 A111 | A106-L109 PolarHBondContact O-N 3.05Å; L109-A111 PolarHBondContact O-N 3.33Å | ||
| 110 | D | 28.2 | Very low | 36.5 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -83.8 | 30.3 | 170 | -72.6 | -38.5 | 0 | 0 | 0 | 113 | ||||
| 111 | A | 26.1 | Very low | 34.2 | Very low | 62 Ų | 62 | 118.6 Ų | 118.6 | 51% | 0.512 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -101.2 | 123.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L109 E113 | L109-A111 PolarHBondContact O-N 3.33Å; A111-E113 PolarHBondContact O-N 2.96Å |
| 112 | P | 26.3 | Very low | 32.2 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -78.5 | 93.7 | -176.5 | 31.2 | -32 | 0 | 0 | 0 | 110.3 | ||||
| 113 | E | 25.5 | Very low | 30.5 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -120 | 120.1 | 170.4 | -59.7 | -172.9 | 159.3 | 0 | 0 | 106.6 | A111 | A111-E113 PolarHBondContact O-N 2.96Š| ||
| 114 | G | 23 | Very low | 29.2 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | 100.5 | 115.9 | 68.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | S116 | G114-S116 PolarHBondContact O-N 3.33Š| |||
| 115 | E | 21.9 | Very low | 28.3 | Very low | 206 Ų | 206 | 121.6 Ų | 121.6 | 96% | 0.963 | 75% | 0.753 | S | S | * | * | trans | -50.2 | 123.9 | -172.5 | -65 | 157.9 | 145.5 | 0 | 0 | 113.8 | ||||
| 116 | S | 25.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -154.3 | 106.4 | 158.7 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | G114 | G114-S116 PolarHBondContact O-N 3.33Š| ||
| 117 | N | 24.8 | Very low | 27 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 59.6 | 110.8 | 141.4 | -59.7 | -21.5 | 0 | 0 | 0 | 120.8 | ||||
| 118 | A | 23.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -57.7 | 137.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | S | 28.9 | Very low | 26.1 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -121.2 | 108.4 | 157.3 | 52.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 120 | E | 25.9 | Very low | 25.5 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.3 | 178.5 | -62.8 | -176 | 140.7 | 0 | 0 | 111.5 | ||
| 121 | P | 28.1 | Very low | 25.7 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 120.2 | 163 | 10 | 7.2 | 0 | 0 | 0 | 110.6 | ||
| 122 | T | 21.9 | Very low | 26.2 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.8 | 176.1 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 123 | C | 22.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 75% | 0.75 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 144.2 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 124 | S | 27.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -147.5 | 108 | 164.8 | -72.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 125 | S | 26.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -67.5 | 139.3 | 177.6 | 40.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 126 | R | 26.2 | Very low | 29.8 | Very low | 251 Ų | 251 | 130.6 Ų | 130.6 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -146.3 | 125 | 150.2 | -70.6 | -167.1 | -179.2 | -160.4 | -0.6 | 111.3 | ||||
| 127 | L | 26.1 | Very low | 31.8 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -79.9 | 131.8 | 172.3 | -73.1 | 153.4 | 0 | 0 | 0 | 110.1 | ||||
| 128 | S | 29.7 | Very low | 34 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -158.9 | 118.7 | 155 | -86.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 129 | G | 22.3 | Very low | 36.6 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 145 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 130 | S | 25.9 | Very low | 39.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -175.5 | 135.6 | 148.6 | -78.2 | 0 | 0 | 0 | 0 | 108.5 | L132 | S130-L132 PolarHBondContact O-N 2.81Š| ||
| 131 | T | 31.2 | Very low | 42.6 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | 10.4 | 93.8 | 164.4 | -44.8 | 0 | 0 | 0 | 0 | 116.3 | I133 | T131-I133 PolarHBondContact O-N 3.49Š| ||
| 132 | L | 36 | Very low | 45.5 | Very low | 161 Ų | 161 | 115.1 Ų | 115.1 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | -69.5 | 84.4 | -177.8 | -64 | 165.7 | 0 | 0 | 0 | 111.3 | S130 P134 | S130-L132 PolarHBondContact O-N 2.81Å; L132-P134 WeakPolarHBondContact O-CD 3.14Å | ||
| 133 | I | 36 | Very low | 48.8 | Very low | 133 Ų | 133 | 112.7 Ų | 112.7 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | -69.3 | 121.3 | 132.5 | -59.2 | 174.8 | 0 | 0 | 0 | 103.1 | T131 T135 | T131-I133 PolarHBondContact O-N 3.49Å; I133-T135 PolarHBondContact O-N 3.36Å | ||
| 134 | P | 40 | Very low | 52.2 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | trans | -61.7 | 87.2 | 172.9 | -19.9 | 32.9 | 0 | 0 | 0 | 108.2 | L132 E136 | L132-P134 WeakPolarHBondContact O-CD 3.14Å; P134-E136 PolarHBondContact O-N 2.93Å | ||
| 135 | T | 44.5 | Very low | 55.3 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | trans | -69.8 | 92.7 | 160.4 | 46.6 | 0 | 0 | 0 | 0 | 103.5 | I133 S137 | I133-T135 PolarHBondContact O-N 3.36Å; T135-S137 PolarHBondContact O-N 3.04Å | ||
| 136 | E | 53.4 | Low | 58.6 | Low | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | trans | -53.5 | 105.7 | 173.8 | -67.2 | -176.4 | 158.5 | 0 | 0 | 107 | P134 C174 | P134-E136 PolarHBondContact O-N 2.93Å; E136-C174 HydrophobicContact CG-CB 4.45Å | ||
| 137 | S | 66.7 | Low | 62 | Low | 29 Ų | 29 | 89.7 Ų | 89.7 | 20% | 0.203 | 52% | 0.521 | C | S | . | . | trans | -65.3 | 138.1 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 106.8 | T135 E139 D140 | T135-S137 PolarHBondContact O-N 3.04Å; S137-E139 PolarHBondContact O-N 3.3Å; S137-E139 WeakPolarHBondContact OG-CG 3.14Å; S137-E139 PolarHBondContact OG-OE1 3.33Å; S137-D140 PolarHBondContact O-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.43Å | ||
| 138 | P | 71.7 | Confident | 65.3 | Low | 111 Ų | 111 | 82.7 Ų | 82.7 | 72% | 0.721 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.8 | -177.8 | 23 | -32.9 | 0 | 0 | 0 | 112.4 | D140 Q141 | P138-D140 VanDerWaalsContact C-N 3.34Å; P138-Q141 PolarHBondContact O-N 3.4Å |
| 139 | E | 77.4 | Confident | 68.2 | Low | 161 Ų | 161 | 77.5 Ų | 77.5 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -66.9 | -26.3 | 175.1 | 60.8 | -169.8 | 178 | 0 | 0 | 114.2 | S137 | S137-E139 PolarHBondContact O-N 3.3Å; S137-E139 WeakPolarHBondContact OG-CG 3.14Å; S137-E139 PolarHBondContact OG-OE1 3.33Å |
| 140 | D | 89.5 | Confident | 71.3 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 24% | 0.235 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -86.1 | -7.8 | -179.6 | -76.3 | -29 | 0 | 0 | 0 | 113.3 | S137 P138 I142 S175 V176 | S137-D140 PolarHBondContact O-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.43Å; P138-D140 VanDerWaalsContact C-N 3.34Å; D140-I142 PolarHBondContact O-N 3.49Å; D140-S175 WeakPolarHBondContact O-CB 3Å; D140-S175 PolarHBondContact O-N 3.31Å; D140-S175 PolarHBondContact O-OG 2.98Å; D140-V176 HydrophobicContact CB-CG2 4.23Å; D140-V176 WeakPolarHBondContact OD2-CG2 3.35Å |
| 141 | Q | 90.6 | Very high | 74 | Confident | 73 Ų | 73 | 76 Ų | 76 | 34% | 0.341 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125 | -178.4 | -67.5 | -172.9 | 38.9 | 0 | 0 | 111.5 | P138 | P138-Q141 PolarHBondContact O-N 3.4Å |
| 142 | I | 90.8 | Very high | 76.8 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.6 | 176.7 | 59.6 | 165.8 | 0 | 0 | 0 | 111.3 | D140 F144 R172 A173 I239 L255 | D140-I142 PolarHBondContact O-N 3.49Å; I142-F144 HydrophobicContact CD1-CD1 3.81Å; I142-F144 HydrophobicContact CD1-CE1 4.02Å; I142-F144 HydrophobicContact CG1-CD1 4.06Å; I142-F144 HydrophobicContact CG1-CE1 4.22Å; I142-R172 WeakPolarHBondContact O-CA 3.04Å; I142-A173 WeakPolarHBondContact CG1-O 3.47Å; I142-A173 PolarHBondContact N-O 2.85Å; I142-A173 PolarHBondContact O-N 3.1Å; I142-I239 HydrophobicContact CD1-CB 3.91Å; I142-I239 HydrophobicContact CD1-CG1 4.49Å; I142-I239 HydrophobicContact CD1-CG2 3.38Å; I142-L255 HydrophobicContact CD1-CD1 4.37Å |
| 143 | L | 90.3 | Very high | 79.2 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.8 | 173.9 | -85 | 60.4 | 0 | 0 | 0 | 108.3 | F170 V171 R172 | L143-F170 HydrophobicContact CB-CE1 4.01Å; L143-F170 HydrophobicContact CB-CE2 4.28Å; L143-F170 HydrophobicContact CB-CZ 3.6Å; L143-F170 HydrophobicContact CD2-CE1 3.39Å; L143-F170 HydrophobicContact CD2-CZ 3.55Å; L143-F170 HydrophobicContact CG-CE1 3.69Å; L143-F170 HydrophobicContact CG-CZ 3.81Å; L143-V171 WeakPolarHBondContact CA-O 3.49Å; L143-R172 HydrophobicContact CD1-CB 4.2Å; L143-R172 HydrophobicContact CD1-CG 3.97Å |
| 144 | F | 93.7 | Very high | 81.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 161.6 | 178.3 | 56.6 | -96.4 | 0 | 0 | 0 | 112 | I142 V171 A173 L183 L255 F257 | I142-F144 HydrophobicContact CD1-CD1 3.81Å; I142-F144 HydrophobicContact CD1-CE1 4.02Å; I142-F144 HydrophobicContact CG1-CD1 4.06Å; I142-F144 HydrophobicContact CG1-CE1 4.22Å; F144-V171 HydrophobicContact CD2-CB 4.15Å; F144-V171 HydrophobicContact CE1-CB 4.46Å; F144-V171 HydrophobicContact CE1-CG1 4.37Å; F144-V171 HydrophobicContact CE2-CB 3.62Å; F144-V171 HydrophobicContact CE2-CG1 3.98Å; F144-V171 HydrophobicContact CE2-CG2 4.15Å; F144-V171 HydrophobicContact CZ-CB 3.79Å; F144-V171 HydrophobicContact CZ-CG1 3.66Å; F144-V171 PolarHBondContact N-O 2.85Å; F144-V171 VanDerWaalsContact N-O 3.1Å; F144-V171 PolarHBondContact O-N 3.05Å; F144-A173 HydrophobicContact CE1-CB 4.04Å; F144-A173 HydrophobicContact CZ-CB 4.34Å; F144-L183 HydrophobicContact CE2-CD2 3.95Å; F144-L183 HydrophobicContact CZ-CD2 3.68Å; F144-L255 HydrophobicContact CB-CB 3.84Å; F144-L255 WeakPolarHBondContact CB-O 3.34Å; F144-F257 HydrophobicContact CB-CD2 4.42Å; F144-F257 HydrophobicContact CB-CE2 4.39Å; F144-F257 HydrophobicContact CD1-CE2 4.49Å; F144-F257 AromaticContact CD2-CD2 3.49Å; F144-F257 HydrophobicContact CD2-CD2 3.49Å; F144-F257 VanDerWaalsContact CD2-CD2 3.49Å; F144-F257 AromaticContact CD2-CE2 3.84Å; F144-F257 HydrophobicContact CD2-CE2 3.84Å; F144-F257 AromaticContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CE2 4.22Å; F144-F257 HydrophobicContact CG-CD2 4.05Å; F144-F257 AromaticContact CG-CE2 3.99Å; F144-F257 HydrophobicContact CG-CE2 3.99Å |
| 145 | H | 93.4 | Very high | 84.3 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.3 | 175.8 | -72.1 | -88.6 | 0 | 0 | 0 | 110.6 | L147 F170 L255 F257 | H145-L147 HydrophobicContact CB-CD2 4.14Å; H145-L147 HydrophobicContact CB-CG 4.15Å; H145-F170 AromaticContact CE1-CD2 3.6Å; H145-F170 AromaticContact CE1-CE2 3.95Å; H145-F170 AromaticContact ND1-CD2 3.89Å; H145-F170 AromaticContact NE2-CD2 3.75Å; H145-F170 AromaticContact NE2-CE2 3.65Å; H145-L255 PolarHBondContact N-O 2.9Å; H145-L255 VanDerWaalsContact N-O 3.13Å; H145-F257 PolarHBondContact O-N 3.3Å |
| 146 | L | 96.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 102.3 | 171.1 | -176.5 | 60.2 | 0 | 0 | 0 | 107.7 | H169 V171 F186 L187 I220 F257 Y259 | L146-H169 HydrophobicContact CB-CB 4.26Å; L146-H169 PolarHBondContact N-O 3.15Å; L146-H169 PolarHBondContact O-N 3.34Å; L146-V171 HydrophobicContact CB-CG2 4.15Å; L146-V171 HydrophobicContact CD2-CG2 4.3Å; L146-F186 HydrophobicContact CD2-CD1 4.18Å; L146-F186 HydrophobicContact CD2-CE1 4.28Å; L146-L187 HydrophobicContact CD2-CD1 3.87Å; L146-L187 HydrophobicContact CD2-CD2 3.64Å; L146-L187 HydrophobicContact CD2-CG 3.7Å; L146-L187 HydrophobicContact CG-CD1 4.43Å; L146-L187 HydrophobicContact CG-CD2 4.26Å; L146-I220 HydrophobicContact CD1-CD1 4.3Å; L146-F257 CarbonylContact C-O 3.57Å; L146-F257 WeakPolarHBondContact CA-O 3.5Å; L146-F257 HydrophobicContact CD1-CB 3.54Å; L146-Y259 HydrophobicContact CD1-CD1 4.16Å; L146-Y259 HydrophobicContact CG-CD1 3.88Å |
| 147 | L | 96 | Very high | 88.5 | Confident | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.3 | -168.1 | -57.1 | 176.6 | 0 | 0 | 0 | 110.6 | H145 P168 F257 Y258 Y259 | H145-L147 HydrophobicContact CB-CD2 4.14Å; H145-L147 HydrophobicContact CB-CG 4.15Å; L147-P168 HydrophobicContact CD2-CB 3.61Å; L147-F257 PolarHBondContact N-O 3.07Å; L147-Y258 HydrophobicContact CB-CD1 3.99Å; L147-Y258 HydrophobicContact CB-CE1 3.93Å; L147-Y258 HydrophobicContact CD1-CE1 4.17Å; L147-Y258 HydrophobicContact CD1-CE2 4.41Å; L147-Y258 CarbonylContact O-C 3.58Å; L147-Y258 WeakPolarHBondContact O-CA 3.34Å; L147-Y259 VanDerWaalsContact C-CD1 3.43Å; L147-Y259 WeakPolarHBondContact O-CD1 3.47Å; L147-Y259 PolarHBondContact O-N 3.41Å |
| 148 | P | 95.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 144.1 | 170.6 | 27.3 | -32.9 | 0 | 0 | 0 | 109.8 | M152 V166 Y259 | P148-M152 HydrophobicContact CB-CE 3.61Å; P148-V166 HydrophobicContact CB-CG1 3.66Å; P148-V166 HydrophobicContact CG-CG1 4.05Å; P148-Y259 HydrophobicContact CB-CE1 4.11Å; P148-Y259 HydrophobicContact CB-CE2 4.44Å; P148-Y259 VanDerWaalsContact N-CE1 3.3Å |
| 149 | Y | 91.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 56 Ų | 56 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 133.4 | 171.9 | -159.2 | -88.2 | 0 | 0 | 0 | 111.2 | G151 M152 L228 Y259 Y260 P272 P273 S274 P275 | Y149-G151 PolarHBondContact O-N 3.25Å; Y149-M152 VanDerWaalsContact O-CB 3.24Å; Y149-M152 WeakPolarHBondContact O-CB 3.49Å; Y149-M152 PolarHBondContact O-N 2.67Å; Y149-L228 HydrophobicContact CD2-CD1 3.98Å; Y149-L228 HydrophobicContact CE2-CD1 3.54Å; Y149-Y259 WeakPolarHBondContact CB-O 3.4Å; Y149-Y259 PolarHBondContact N-O 3.5Å; Y149-Y260 HydrophobicContact CD1-CD2 4.32Å; Y149-Y260 HydrophobicContact CG-CD2 4.11Å; Y149-P272 HydrophobicContact CD1-CB 4.09Å; Y149-P272 HydrophobicContact CD1-CG 4.45Å; Y149-P272 HydrophobicContact CD2-CG 4.48Å; Y149-P272 HydrophobicContact CE1-CB 3.53Å; Y149-P272 HydrophobicContact CE1-CG 4.14Å; Y149-P272 HydrophobicContact CE2-CB 4.36Å; Y149-P272 HydrophobicContact CE2-CG 4.12Å; Y149-P272 PolarHBondContact OH-O 3Å; Y149-P272 VanDerWaalsContact OH-O 3.07Å; Y149-P273 PolarHBondContact OH-O 3.3Å; Y149-S274 WeakPolarHBondContact OH-CA 3.19Å; Y149-S274 PolarHBondContact OH-N 3.1Å; Y149-P275 HydrophobicContact CD1-CG 4.12Å; Y149-P275 HydrophobicContact CD2-CG 4.48Å; Y149-P275 HydrophobicContact CE1-CB 3.97Å; Y149-P275 HydrophobicContact CE1-CG 3.51Å; Y149-P275 HydrophobicContact CE2-CG 3.95Å; Y149-P275 VanDerWaalsContact CZ-CG 3.46Å; Y149-P275 WeakPolarHBondContact OH-CD 3.34Å |
| 150 | P | 86.8 | Confident | 91.3 | Very high | 70 Ų | 70 | 52 Ų | 52 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 127.1 | 176.5 | -27.7 | 33.8 | 0 | 0 | 0 | 112.6 | M152 Y258 P275 | P150-M152 VanDerWaalsContact C-N 3.29Å; P150-M152 PolarHBondContact O-N 2.73Å; P150-Y258 HydrophobicContact CG-CE1 4.31Å; P150-P275 HydrophobicContact CB-CB 3.84Å; P150-P275 HydrophobicContact CB-CG 4.21Å; P150-P275 HydrophobicContact CG-CB 3.86Å; P150-P275 HydrophobicContact CG-CG 3.75Å |
| 151 | G | 83.5 | Confident | 91.6 | Very high | 81 Ų | 81 | 50 Ų | 50 | 84% | 0.835 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 7.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y149 L153 | Y149-G151 PolarHBondContact O-N 3.25Å; G151-L153 PolarHBondContact O-N 2.7Å |
| 152 | M | 88.1 | Confident | 91.8 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | trans | -58.1 | 123 | 171.5 | 178.8 | 169.2 | 67 | 0 | 0 | 110.4 | P148 Y149 P150 L154 V166 Y259 Y260 Y261 | P148-M152 HydrophobicContact CB-CE 3.61Å; Y149-M152 VanDerWaalsContact O-CB 3.24Å; Y149-M152 WeakPolarHBondContact O-CB 3.49Å; Y149-M152 PolarHBondContact O-N 2.67Å; P150-M152 VanDerWaalsContact C-N 3.29Å; P150-M152 PolarHBondContact O-N 2.73Å; M152-L154 HydrophobicContact CG-CD2 4.31Å; M152-V166 HydrophobicContact CE-CB 4.27Å; M152-V166 HydrophobicContact CE-CG1 3.95Å; M152-V166 HydrophobicContact CE-CG2 3.8Å; M152-Y259 HydrophobicContact CE-CD2 4.08Å; M152-Y259 HydrophobicContact CE-CE2 3.51Å; M152-Y260 HydrophobicContact CB-CD2 4.03Å; M152-Y260 HydrophobicContact CB-CE2 4.02Å; M152-Y260 HydrophobicContact CG-CD2 3.92Å; M152-Y260 HydrophobicContact CG-CE2 3.89Å; M152-Y260 HydrophobicContact SD-CD2 3.95Å; M152-Y260 HydrophobicContact SD-CE2 4.46Å; M152-Y260 HydrophobicContact SD-CG 4.23Å; M152-Y261 HydrophobicContact CE-CD2 4.05Å; M152-Y261 HydrophobicContact CE-CE2 4.47Å; M152-Y261 HydrophobicContact SD-CD2 4.06Å; M152-Y261 PolarHBondContact SD-N 2.76Å; M152-Y261 VanDerWaalsContact SD-N 3.4Å | ||
| 153 | L | 87.5 | Confident | 91.9 | Very high | 116 Ų | 116 | 55.5 Ų | 55.5 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | trans | -123.5 | 132.6 | 177 | -175.9 | 66.5 | 0 | 0 | 0 | 109.3 | G151 | G151-L153 PolarHBondContact O-N 2.7Š| ||
| 154 | L | 91.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -107.3 | 101.7 | 177.3 | -57 | -177.1 | 0 | 0 | 0 | 108.8 | M152 F157 S162 L165 V166 Y261 E263 | M152-L154 HydrophobicContact CG-CD2 4.31Å; L154-F157 HydrophobicContact CB-CB 4.23Å; L154-F157 HydrophobicContact CB-CD2 3.85Å; L154-F157 HydrophobicContact CB-CG 4.42Å; L154-F157 HydrophobicContact CD1-CD2 4.18Å; L154-S162 PolarHBondContact O-OG 3.43Å; L154-L165 HydrophobicContact CD1-CB 3.81Å; L154-L165 HydrophobicContact CD1-CD1 3.83Å; L154-L165 HydrophobicContact CD1-CG 4.49Å; L154-V166 HydrophobicContact CD1-CG2 3.86Å; L154-V166 HydrophobicContact CG-CG2 4.02Å; L154-Y261 HydrophobicContact CD1-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CD2 4.26Å; L154-E263 VanDerWaalsContact C-OE1 3.32Å; L154-E263 WeakPolarHBondContact CA-OE1 3.2Å; L154-E263 HydrophobicContact CD2-CG 4.18Å | ||
| 155 | S | 91.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 59% | 0.587 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -84.6 | -21.6 | -173.8 | 65 | 0 | 0 | 0 | 0 | 113.5 | F157 E263 | S155-F157 VanDerWaalsContact C-N 3.33Å; S155-E263 VanDerWaalsContact N-CD 3.33Å; S155-E263 PolarHBondContact N-OE1 3.06Å; S155-E263 PolarHBondContact N-OE2 3.49Å; S155-E263 PolarHBondContact OG-OE2 2.89Å |
| 156 | K | 91.8 | Very high | 92.2 | Very high | 111 Ų | 111 | 51.1 Ų | 51.1 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -84.5 | -10.9 | 177.2 | -61 | -72.8 | -177.1 | 174.5 | 0 | 112.7 | N214 E263 | K156-N214 HydrophobicContact CB-CB 3.99Å; K156-E263 VanDerWaalsContact CB-OE1 3.23Å; K156-E263 WeakPolarHBondContact CB-OE1 3.43Å; K156-E263 HydrophobicContact CG-CB 4.17Å; K156-E263 HydrophobicContact CG-CG 4.37Å; K156-E263 PolarHBondContact N-OE1 2.81Å |
| 157 | F | 93.2 | Very high | 92 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -103.4 | 148.8 | 179.5 | -69 | -92.1 | 0 | 0 | 0 | 110.8 | L154 S155 A161 S162 L165 L195 L210 I211 N214 I215 E263 | L154-F157 HydrophobicContact CB-CB 4.23Å; L154-F157 HydrophobicContact CB-CD2 3.85Å; L154-F157 HydrophobicContact CB-CG 4.42Å; L154-F157 HydrophobicContact CD1-CD2 4.18Å; S155-F157 VanDerWaalsContact C-N 3.33Å; F157-A161 HydrophobicContact CB-CB 4.09Å; F157-A161 HydrophobicContact CD1-CB 4.12Å; F157-S162 VanDerWaalsContact CB-OG 3.28Å; F157-S162 WeakPolarHBondContact CB-OG 3.13Å; F157-S162 PolarHBondContact O-OG 2.84Å; F157-L165 HydrophobicContact CD1-CD1 3.66Å; F157-L165 HydrophobicContact CD2-CD1 4.33Å; F157-L165 HydrophobicContact CE1-CD1 3.54Å; F157-L165 HydrophobicContact CE2-CD1 4.2Å; F157-L165 HydrophobicContact CG-CD1 4.06Å; F157-L165 HydrophobicContact CZ-CD1 3.81Å; F157-L195 HydrophobicContact CD1-CD1 4.46Å; F157-L195 HydrophobicContact CE1-CD1 4.08Å; F157-L210 HydrophobicContact CE1-CB 4.36Å; F157-I211 HydrophobicContact CE1-CD1 4Å; F157-I211 HydrophobicContact CZ-CD1 4.05Å; F157-N214 HydrophobicContact CD2-CB 4.46Å; F157-N214 HydrophobicContact CE2-CB 3.63Å; F157-N214 HydrophobicContact CZ-CB 3.71Å; F157-I215 HydrophobicContact CE2-CD1 4.45Å; F157-I215 HydrophobicContact CE2-CG1 4.03Å; F157-I215 HydrophobicContact CZ-CD1 4.09Å; F157-I215 HydrophobicContact CZ-CG1 3.85Å; F157-E263 WeakPolarHBondContact CD2-OE1 3.07Å |
| 158 | S | 93.4 | Very high | 92 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -61.7 | 154.7 | 170.8 | 71.8 | 0 | 0 | 0 | 0 | 110.2 | N160 A161 S162 | S158-N160 PolarHBondContact O-N 3.27Å; S158-N160 VanDerWaalsContact O-N 3.11Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CB 3.41Å; S158-A161 PolarHBondContact OG-N 3.24Å; S158-S162 PolarHBondContact O-N 3.39Å; S158-S162 PolarHBondContact O-OG 3.43Å; S158-S162 VanDerWaalsContact O-OG 3.06Å | ||
| 159 | A | 91.6 | Very high | 91.9 | Very high | 80 Ų | 80 | 55 Ų | 55 | 66% | 0.661 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.4 | -35.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R163 | A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.14Å |
| 160 | N | 91.3 | Very high | 91.8 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.1 | -51.3 | 174.2 | -174 | -3.9 | 0 | 0 | 0 | 111.3 | S158 S162 R163 I164 | S158-N160 PolarHBondContact O-N 3.27Å; S158-N160 VanDerWaalsContact O-N 3.11Å; N160-S162 VanDerWaalsContact C-N 3.3Å; N160-S162 PolarHBondContact O-N 3.28Å; N160-R163 WeakPolarHBondContact O-CB 3.43Å; N160-R163 PolarHBondContact O-N 3.37Å; N160-R163 VanDerWaalsContact O-N 3.1Å; N160-I164 WeakPolarHBondContact O-CG1 3.32Å; N160-I164 PolarHBondContact O-N 2.77Å; N160-I164 VanDerWaalsContact OD1-CD1 3.27Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.32Å |
| 161 | A | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F157 S158 R163 I164 L165 L195 T203 | F157-A161 HydrophobicContact CB-CB 4.09Å; F157-A161 HydrophobicContact CD1-CB 4.12Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CB 3.41Å; S158-A161 PolarHBondContact OG-N 3.24Å; A161-R163 VanDerWaalsContact C-N 3.35Å; A161-R163 PolarHBondContact O-N 3.33Å; A161-I164 WeakPolarHBondContact O-CB 3.4Å; A161-I164 PolarHBondContact O-N 3.48Å; A161-I164 VanDerWaalsContact O-N 3.12Å; A161-L165 WeakPolarHBondContact O-CG 3.27Å; A161-L165 PolarHBondContact O-N 2.85Å; A161-L195 HydrophobicContact CB-CD2 3.75Å; A161-T203 HydrophobicContact CB-CG2 4.3Å |
| 162 | S | 94.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | L154 F157 S158 N160 I164 L165 V166 | L154-S162 PolarHBondContact O-OG 3.43Å; F157-S162 VanDerWaalsContact CB-OG 3.28Å; F157-S162 WeakPolarHBondContact CB-OG 3.13Å; F157-S162 PolarHBondContact O-OG 2.84Å; S158-S162 PolarHBondContact O-N 3.39Å; S158-S162 PolarHBondContact O-OG 3.43Å; S158-S162 VanDerWaalsContact O-OG 3.06Å; N160-S162 VanDerWaalsContact C-N 3.3Å; N160-S162 PolarHBondContact O-N 3.28Å; S162-I164 VanDerWaalsContact C-N 3.29Å; S162-I164 PolarHBondContact O-N 3.02Å; S162-L165 PolarHBondContact O-N 3.5Å; S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.33Å; S162-V166 WeakPolarHBondContact O-CG2 3.44Å; S162-V166 PolarHBondContact O-N 3.38Å |
| 163 | R | 93.4 | Very high | 92.7 | Very high | 205 Ų | 205 | 60.7 Ų | 60.7 | 77% | 0.774 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.2 | -32.3 | 175.4 | -73 | 173.6 | 67.7 | 174.8 | 2.6 | 113.2 | A159 N160 A161 | A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.14Å; N160-R163 WeakPolarHBondContact O-CB 3.43Å; N160-R163 PolarHBondContact O-N 3.37Å; N160-R163 VanDerWaalsContact O-N 3.1Å; A161-R163 VanDerWaalsContact C-N 3.35Å; A161-R163 PolarHBondContact O-N 3.33Å |
| 164 | I | 94.5 | Very high | 93 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 176.9 | -68.1 | 163.5 | 0 | 0 | 0 | 110.9 | N160 A161 S162 R167 D194 L195 K198 A199 | N160-I164 WeakPolarHBondContact O-CG1 3.32Å; N160-I164 PolarHBondContact O-N 2.77Å; N160-I164 VanDerWaalsContact OD1-CD1 3.27Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.32Å; A161-I164 WeakPolarHBondContact O-CB 3.4Å; A161-I164 PolarHBondContact O-N 3.48Å; A161-I164 VanDerWaalsContact O-N 3.12Å; S162-I164 VanDerWaalsContact C-N 3.29Å; S162-I164 PolarHBondContact O-N 3.02Å; I164-R167 WeakPolarHBondContact O-CD 3.46Å; I164-R167 WeakPolarHBondContact O-CG 3.5Å; I164-D194 HydrophobicContact CG2-CB 3.62Å; I164-L195 HydrophobicContact CB-CD2 4.23Å; I164-L195 HydrophobicContact CD1-CD2 4.45Å; I164-L195 HydrophobicContact CG2-CD2 4.06Å; I164-K198 HydrophobicContact CD1-CB 3.98Å; I164-K198 WeakPolarHBondContact CD1-O 3.4Å; I164-K198 HydrophobicContact CG1-CB 4.13Å; I164-K198 HydrophobicContact CG2-CB 4.11Å; I164-A199 HydrophobicContact CD1-CB 3.79Å |
| 165 | L | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.8 | -33.3 | -177.4 | -66.7 | -178.7 | 0 | 0 | 0 | 113.8 | L154 F157 A161 S162 R167 A191 L195 I211 Y259 Y261 | L154-L165 HydrophobicContact CD1-CB 3.81Å; L154-L165 HydrophobicContact CD1-CD1 3.83Å; L154-L165 HydrophobicContact CD1-CG 4.49Å; F157-L165 HydrophobicContact CD1-CD1 3.66Å; F157-L165 HydrophobicContact CD2-CD1 4.33Å; F157-L165 HydrophobicContact CE1-CD1 3.54Å; F157-L165 HydrophobicContact CE2-CD1 4.2Å; F157-L165 HydrophobicContact CG-CD1 4.06Å; F157-L165 HydrophobicContact CZ-CD1 3.81Å; A161-L165 WeakPolarHBondContact O-CG 3.27Å; A161-L165 PolarHBondContact O-N 2.85Å; S162-L165 PolarHBondContact O-N 3.5Å; L165-R167 PolarHBondContact O-N 3.34Å; L165-A191 HydrophobicContact CD2-CB 3.49Å; L165-A191 VanDerWaalsContact CD2-CB 3.49Å; L165-L195 HydrophobicContact CD1-CD1 4.28Å; L165-L195 HydrophobicContact CD2-CD1 4.27Å; L165-L195 HydrophobicContact CD2-CD2 4.18Å; L165-L195 HydrophobicContact CD2-CG 3.89Å; L165-L195 HydrophobicContact CG-CD1 4.5Å; L165-L195 HydrophobicContact CG-CD2 4.08Å; L165-L195 HydrophobicContact CG-CG 4.27Å; L165-I211 HydrophobicContact CD1-CD1 4.05Å; L165-I211 HydrophobicContact CD2-CD1 4.09Å; L165-Y259 PolarHBondContact O-OH 3.17Å; L165-Y261 HydrophobicContact CB-CE2 4.23Å |
| 166 | V | 94.7 | Very high | 93.4 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -93.3 | 76.7 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | P148 M152 L154 S162 | P148-V166 HydrophobicContact CB-CG1 3.66Å; P148-V166 HydrophobicContact CG-CG1 4.05Å; M152-V166 HydrophobicContact CE-CB 4.27Å; M152-V166 HydrophobicContact CE-CG1 3.95Å; M152-V166 HydrophobicContact CE-CG2 3.8Å; L154-V166 HydrophobicContact CD1-CG2 3.86Å; L154-V166 HydrophobicContact CG-CG2 4.02Å; S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.33Å; S162-V166 WeakPolarHBondContact O-CG2 3.44Å; S162-V166 PolarHBondContact O-N 3.38Å |
| 167 | R | 92.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | trans | -144.8 | 150.9 | -178.7 | 71.5 | -178.5 | -169.9 | 120.8 | -2.5 | 112 | I164 L165 D194 K198 Y259 | I164-R167 WeakPolarHBondContact O-CD 3.46Å; I164-R167 WeakPolarHBondContact O-CG 3.5Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-D194 IonicContact CZ-OD1 2.67Å; R167-D194 IonicContact CZ-OD2 3.61Å; R167-D194 IonicContact NE-OD2 2.69Å; R167-D194 PolarHBondContact NE-OD2 2.91Å; R167-D194 IonicContact NH2-OD1 3.8Å; R167-D194 PolarHBondContact NH2-OD1 3.36Å; R167-D194 IonicContact NH2-OD2 3.18Å; R167-D194 PolarHBondContact NH2-OD2 3.2Å; R167-K198 VanDerWaalsContact CZ-NZ 3.3Å; R167-K198 VanDerWaalsContact NH1-NZ 3.1Å; R167-K198 VanDerWaalsContact NH2-NZ 3.15Å; R167-Y259 PolarHBondContact N-OH 3.3Å; R167-Y259 VanDerWaalsContact N-OH 3.14Å; R167-Y259 PolarHBondContact O-OH 3.09Å | ||
| 168 | P | 94.3 | Very high | 93.9 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | trans | -66.4 | 143.1 | 176.5 | 28.5 | -35.4 | 0 | 0 | 0 | 111.3 | L147 | L147-P168 HydrophobicContact CD2-CB 3.61Š| ||
| 169 | H | 93.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.8 | 170.9 | -57.4 | -62.9 | 0 | 0 | 0 | 110.2 | L146 V171 F186 D194 | L146-H169 HydrophobicContact CB-CB 4.26Å; L146-H169 PolarHBondContact N-O 3.15Å; L146-H169 PolarHBondContact O-N 3.34Å; H169-V171 HydrophobicContact CB-CG2 4.22Å; H169-F186 HydrophobicContact CB-CE1 4.37Å; H169-D194 IonicContact CE1-OD2 2.86Å |
| 170 | F | 90.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 46% | 0.456 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.5 | 170.9 | -169.1 | -109.8 | 0 | 0 | 0 | 107.9 | L143 H145 | L143-F170 HydrophobicContact CB-CE1 4.01Å; L143-F170 HydrophobicContact CB-CE2 4.28Å; L143-F170 HydrophobicContact CB-CZ 3.6Å; L143-F170 HydrophobicContact CD2-CE1 3.39Å; L143-F170 HydrophobicContact CD2-CZ 3.55Å; L143-F170 HydrophobicContact CG-CE1 3.69Å; L143-F170 HydrophobicContact CG-CZ 3.81Å; H145-F170 AromaticContact CE1-CD2 3.6Å; H145-F170 AromaticContact CE1-CE2 3.95Å; H145-F170 AromaticContact ND1-CD2 3.89Å; H145-F170 AromaticContact NE2-CD2 3.75Å; H145-F170 AromaticContact NE2-CE2 3.65Å |
| 171 | V | 92.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127 | -167 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L143 F144 L146 H169 A173 F186 | L143-V171 WeakPolarHBondContact CA-O 3.49Å; F144-V171 HydrophobicContact CD2-CB 4.15Å; F144-V171 HydrophobicContact CE1-CB 4.46Å; F144-V171 HydrophobicContact CE1-CG1 4.37Å; F144-V171 HydrophobicContact CE2-CB 3.62Å; F144-V171 HydrophobicContact CE2-CG1 3.98Å; F144-V171 HydrophobicContact CE2-CG2 4.15Å; F144-V171 HydrophobicContact CZ-CB 3.79Å; F144-V171 HydrophobicContact CZ-CG1 3.66Å; F144-V171 PolarHBondContact N-O 2.85Å; F144-V171 VanDerWaalsContact N-O 3.1Å; F144-V171 PolarHBondContact O-N 3.05Å; L146-V171 HydrophobicContact CB-CG2 4.15Å; L146-V171 HydrophobicContact CD2-CG2 4.3Å; H169-V171 HydrophobicContact CB-CG2 4.22Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; V171-F186 HydrophobicContact CG2-CD1 4.34Å; V171-F186 HydrophobicContact CG2-CE1 3.68Å; V171-F186 HydrophobicContact CG2-CZ 4.01Å |
| 172 | R | 90.8 | Very high | 94.9 | Very high | 167 Ų | 167 | 48.7 Ų | 48.7 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.2 | 164.8 | 179.2 | -176.4 | -65.3 | -169.6 | 0.9 | 107.7 | I142 L143 | I142-R172 WeakPolarHBondContact O-CA 3.04Å; L143-R172 HydrophobicContact CD1-CB 4.2Å; L143-R172 HydrophobicContact CD1-CG 3.97Å |
| 173 | A | 93.9 | Very high | 95 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 161.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I142 F144 V171 C178 | I142-A173 WeakPolarHBondContact CG1-O 3.47Å; I142-A173 PolarHBondContact N-O 2.85Å; I142-A173 PolarHBondContact O-N 3.1Å; F144-A173 HydrophobicContact CE1-CB 4.04Å; F144-A173 HydrophobicContact CZ-CB 4.34Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; A173-C178 HydrophobicContact CB-CB 3.73Å |
| 174 | C | 94.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125 | 170.6 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | E136 V176 T177 C178 | E136-C174 HydrophobicContact CG-CB 4.45Å; C174-V176 VanDerWaalsContact C-N 3.29Å; C174-V176 PolarHBondContact O-N 3.25Å; C174-V176 WeakPolarHBondContact SG-CG2 3.45Å; C174-T177 VanDerWaalsContact CB-OG1 3.22Å; C174-T177 WeakPolarHBondContact CB-OG1 3.23Å; C174-T177 PolarHBondContact SG-OG1 2.81Å; C174-T177 VanDerWaalsContact SG-OG1 3.34Å; C174-C178 WeakPolarHBondContact O-CB 3.48Å; C174-C178 PolarHBondContact O-N 3.22Å |
| 175 | S | 95.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.3 | -174.7 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | D140 I239 L240 | D140-S175 WeakPolarHBondContact O-CB 3Å; D140-S175 PolarHBondContact O-N 3.31Å; D140-S175 PolarHBondContact O-OG 2.98Å; S175-I239 PolarHBondContact O-N 3.14Å; S175-L240 WeakPolarHBondContact O-CB 3.41Å; S175-L240 PolarHBondContact O-N 3Å |
| 176 | V | 95.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -24.8 | -177.6 | -63 | 0 | 0 | 0 | 0 | 113.9 | D140 C174 N238 L240 | D140-V176 HydrophobicContact CB-CG2 4.23Å; D140-V176 WeakPolarHBondContact OD2-CG2 3.35Å; C174-V176 VanDerWaalsContact C-N 3.29Å; C174-V176 PolarHBondContact O-N 3.25Å; C174-V176 WeakPolarHBondContact SG-CG2 3.45Å; V176-N238 WeakPolarHBondContact O-CB 3.39Å; V176-N238 PolarHBondContact O-ND2 3.32Å; V176-L240 HydrophobicContact CG1-CB 4.45Å; V176-L240 HydrophobicContact CG1-CD2 3.66Å |
| 177 | T | 96.7 | Very high | 95.5 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -25.5 | -179 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | C174 T179 H182 | C174-T177 VanDerWaalsContact CB-OG1 3.22Å; C174-T177 WeakPolarHBondContact CB-OG1 3.23Å; C174-T177 PolarHBondContact SG-OG1 2.81Å; C174-T177 VanDerWaalsContact SG-OG1 3.34Å; T177-T179 PolarHBondContact O-N 2.9Å; T177-H182 PolarHBondContact O-CE1 2.85Å; T177-H182 PolarHBondContact O-ND1 3.18Å |
| 178 | C | 97.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 10% | 0.095 | 24% | 0.24 | C | C | . | . | trans | -75.3 | 121.7 | 177.8 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | A173 C174 N238 I239 | A173-C178 HydrophobicContact CB-CB 3.73Å; C174-C178 WeakPolarHBondContact O-CB 3.48Å; C174-C178 PolarHBondContact O-N 3.22Å; C178-N238 CarbonylContact O-C 3.5Å; C178-N238 WeakPolarHBondContact O-CA 3.45Å; C178-N238 WeakPolarHBondContact O-CB 3.24Å; C178-I239 HydrophobicContact CB-CG1 4.14Å; C178-I239 WeakPolarHBondContact O-CG1 3.38Å; C178-I239 PolarHBondContact O-N 3.34Å | ||
| 179 | T | 97.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -109.3 | 169.5 | -180 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | T177 A181 H182 L183 D235 S236 M237 N238 | T177-T179 PolarHBondContact O-N 2.9Å; T179-A181 VanDerWaalsContact C-N 3.26Å; T179-A181 PolarHBondContact O-N 2.89Å; T179-H182 PolarHBondContact N-ND1 3.48Å; T179-H182 WeakPolarHBondContact O-CA 3.35Å; T179-H182 VanDerWaalsContact O-CB 3.32Å; T179-H182 WeakPolarHBondContact O-CB 3.3Å; T179-H182 PolarHBondContact O-N 2.84Å; T179-H182 PolarHBondContact OG1-N 3.42Å; T179-H182 PolarHBondContact OG1-ND1 3.02Å; T179-L183 PolarHBondContact O-N 3.06Å; T179-D235 WeakPolarHBondContact CB-O 3.45Å; T179-D235 PolarHBondContact OG1-O 3Å; T179-S236 WeakPolarHBondContact CG2-O 3.36Å; T179-M237 VanDerWaalsContact CA-O 3.23Å; T179-M237 WeakPolarHBondContact CA-O 3.48Å; T179-M237 WeakPolarHBondContact CB-O 3.46Å; T179-N238 HydrophobicContact CG2-CB 4.35Å |
| 180 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -36.5 | 175 | -59.2 | -52.3 | 0 | 0 | 0 | 111.9 | H182 L183 K184 I220 L231 D235 M237 I239 V242 | I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 3.23Å; I180-L183 HydrophobicContact CD1-CD1 3.96Å; I180-L183 WeakPolarHBondContact O-CB 3.08Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-L183 VanDerWaalsContact O-N 3.13Å; I180-K184 PolarHBondContact O-N 3.25Å; I180-I220 HydrophobicContact CD1-CG2 4.46Å; I180-I220 HydrophobicContact CG2-CB 4.11Å; I180-I220 HydrophobicContact CG2-CG1 4.25Å; I180-I220 HydrophobicContact CG2-CG2 4.47Å; I180-L231 HydrophobicContact CD1-CB 4.3Å; I180-L231 HydrophobicContact CD1-CD1 3.49Å; I180-L231 VanDerWaalsContact CD1-CD1 3.49Å; I180-L231 HydrophobicContact CG1-CB 4.1Å; I180-L231 HydrophobicContact CG1-CD1 4.09Å; I180-L231 HydrophobicContact CG2-CB 4.1Å; I180-D235 PolarHBondContact N-O 3.36Å; I180-M237 PolarHBondContact N-O 3Å; I180-M237 VanDerWaalsContact N-O 3.13Å; I180-I239 HydrophobicContact CD1-CD1 4.05Å; I180-V242 HydrophobicContact CD1-CG2 4.09Å; I180-V242 HydrophobicContact CG1-CG2 4.18Å |
| 181 | A | 97.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T179 K184 K185 D235 | T179-A181 VanDerWaalsContact C-N 3.26Å; T179-A181 PolarHBondContact O-N 2.89Å; A181-K184 PolarHBondContact O-N 2.66Å; A181-K185 WeakPolarHBondContact O-CB 3.22Å; A181-K185 PolarHBondContact O-N 3.13Å; A181-D235 HydrophobicContact CB-CB 4.14Å; A181-D235 VanDerWaalsContact CB-O 3.32Å; A181-D235 WeakPolarHBondContact CB-O 3.47Å; A181-D235 PolarHBondContact N-O 3.2Å |
| 182 | H | 98.3 | Very high | 96 | Very high | 95 Ų | 95 | 44.5 Ų | 44.5 | 44% | 0.44 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -37.6 | 174.7 | -64.2 | 153.1 | 0 | 0 | 0 | 112.2 | T177 T179 I180 K185 F186 | T177-H182 PolarHBondContact O-CE1 2.85Å; T177-H182 PolarHBondContact O-ND1 3.18Å; T179-H182 PolarHBondContact N-ND1 3.48Å; T179-H182 WeakPolarHBondContact O-CA 3.35Å; T179-H182 VanDerWaalsContact O-CB 3.32Å; T179-H182 WeakPolarHBondContact O-CB 3.3Å; T179-H182 PolarHBondContact O-N 2.84Å; T179-H182 PolarHBondContact OG1-N 3.42Å; T179-H182 PolarHBondContact OG1-ND1 3.02Å; I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 3.23Å; H182-K185 PolarHBondContact O-N 3.32Å; H182-F186 VanDerWaalsContact O-CB 3.32Å; H182-F186 WeakPolarHBondContact O-CB 3.47Å; H182-F186 PolarHBondContact O-N 2.85Å |
| 183 | L | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 173.7 | -60.4 | -171.5 | 0 | 0 | 0 | 112.2 | F144 T179 I180 K185 F186 L187 I220 I239 F257 | F144-L183 HydrophobicContact CE2-CD2 3.95Å; F144-L183 HydrophobicContact CZ-CD2 3.68Å; T179-L183 PolarHBondContact O-N 3.06Å; I180-L183 HydrophobicContact CD1-CD1 3.96Å; I180-L183 WeakPolarHBondContact O-CB 3.08Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-L183 VanDerWaalsContact O-N 3.13Å; L183-K185 PolarHBondContact O-N 3.33Å; L183-F186 PolarHBondContact O-N 3.36Å; L183-L187 PolarHBondContact O-N 3.26Å; L183-I220 HydrophobicContact CB-CD1 4.44Å; L183-I220 HydrophobicContact CB-CG1 4.4Å; L183-I220 HydrophobicContact CD1-CG2 4.25Å; L183-I239 HydrophobicContact CD1-CD1 3.87Å; L183-I239 HydrophobicContact CG-CD1 4.29Å; L183-F257 HydrophobicContact CD1-CD1 4.5Å; L183-F257 HydrophobicContact CD1-CG 4.47Å |
| 184 | K | 97.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 174.8 | -66.6 | 179.5 | -179.6 | 178.4 | 0 | 110.9 | I180 A181 L187 M188 E217 I218 I220 D235 | I180-K184 PolarHBondContact O-N 3.25Å; A181-K184 PolarHBondContact O-N 2.66Å; K184-L187 PolarHBondContact O-N 3.15Å; K184-M188 PolarHBondContact O-N 2.99Å; K184-E217 IonicContact NZ-OE1 3.51Å; K184-I218 WeakPolarHBondContact CE-O 3.29Å; K184-I218 HydrophobicContact CG-CB 4.32Å; K184-I220 HydrophobicContact CG-CG1 3.95Å; K184-D235 WeakPolarHBondContact CE-OD1 3.43Å; K184-D235 VanDerWaalsContact NZ-CG 3.3Å; K184-D235 IonicContact NZ-OD1 3.11Å; K184-D235 PolarHBondContact NZ-OD1 3.35Å; K184-D235 IonicContact NZ-OD2 3.93Å; K184-D235 PolarHBondContact NZ-OD2 2.82Å; K184-D235 VanDerWaalsContact NZ-OD2 3.11Å |
| 185 | K | 96.5 | Very high | 96.2 | Very high | 156 Ų | 156 | 36.6 Ų | 36.6 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.9 | -42.7 | 177.2 | -171.9 | 178.6 | -178.4 | 178.9 | 0 | 112.2 | A181 H182 L183 M188 M189 | A181-K185 WeakPolarHBondContact O-CB 3.22Å; A181-K185 PolarHBondContact O-N 3.13Å; H182-K185 PolarHBondContact O-N 3.32Å; L183-K185 PolarHBondContact O-N 3.33Å; K185-M188 PolarHBondContact O-N 3.31Å; K185-M189 WeakPolarHBondContact O-CB 3.32Å; K185-M189 PolarHBondContact O-N 3.41Å |
| 186 | F | 96.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 24% | 0.237 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 174.9 | 167.7 | -99.1 | 0 | 0 | 0 | 110.8 | L146 H169 V171 H182 L183 M188 M189 R190 | L146-F186 HydrophobicContact CD2-CD1 4.18Å; L146-F186 HydrophobicContact CD2-CE1 4.28Å; H169-F186 HydrophobicContact CB-CE1 4.37Å; V171-F186 HydrophobicContact CG2-CD1 4.34Å; V171-F186 HydrophobicContact CG2-CE1 3.68Å; V171-F186 HydrophobicContact CG2-CZ 4.01Å; H182-F186 VanDerWaalsContact O-CB 3.32Å; H182-F186 WeakPolarHBondContact O-CB 3.47Å; H182-F186 PolarHBondContact O-N 2.85Å; L183-F186 PolarHBondContact O-N 3.36Å; F186-M188 PolarHBondContact O-N 3.41Å; F186-M189 PolarHBondContact O-N 3.14Å; F186-R190 HydrophobicContact CE1-CB 4.44Å; F186-R190 HydrophobicContact CZ-CB 4.33Å; F186-R190 HydrophobicContact CZ-CG 4.23Å; F186-R190 WeakPolarHBondContact O-CB 3.24Å; F186-R190 PolarHBondContact O-N 3.22Å |
| 187 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 179.8 | -76.6 | 169.6 | 0 | 0 | 0 | 113.3 | L146 L183 K184 R190 A191 I218 I220 Y259 | L146-L187 HydrophobicContact CD2-CD1 3.87Å; L146-L187 HydrophobicContact CD2-CD2 3.64Å; L146-L187 HydrophobicContact CD2-CG 3.7Å; L146-L187 HydrophobicContact CG-CD1 4.43Å; L146-L187 HydrophobicContact CG-CD2 4.26Å; L183-L187 PolarHBondContact O-N 3.26Å; K184-L187 PolarHBondContact O-N 3.15Å; L187-R190 PolarHBondContact O-N 3.44Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.15Å; L187-I218 HydrophobicContact CB-CD1 3.58Å; L187-I218 HydrophobicContact CD1-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å; L187-I220 HydrophobicContact CD1-CD1 3.62Å; L187-Y259 HydrophobicContact CD1-CD1 4.28Å; L187-Y259 HydrophobicContact CD1-CD2 4.12Å; L187-Y259 HydrophobicContact CD1-CG 3.68Å; L187-Y259 HydrophobicContact CD2-CD1 4.05Å; L187-Y259 HydrophobicContact CD2-CD2 4.27Å; L187-Y259 HydrophobicContact CD2-CE1 4.23Å; L187-Y259 HydrophobicContact CD2-CE2 4.45Å; L187-Y259 HydrophobicContact CD2-CG 4.06Å |
| 188 | M | 96.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 174.1 | -80.1 | -62 | -158.7 | 0 | 0 | 111.6 | K184 K185 F186 R190 A191 A192 I211 I215 I218 | K184-M188 PolarHBondContact O-N 2.99Å; K185-M188 PolarHBondContact O-N 3.31Å; F186-M188 PolarHBondContact O-N 3.41Å; M188-R190 VanDerWaalsContact C-N 3.32Å; M188-R190 PolarHBondContact O-N 3.32Å; M188-A191 PolarHBondContact O-N 3.17Å; M188-A192 PolarHBondContact O-N 3.42Å; M188-I211 HydrophobicContact SD-CG2 3.92Å; M188-I215 HydrophobicContact CE-CB 4.19Å; M188-I215 HydrophobicContact CE-CG2 3.64Å; M188-I215 HydrophobicContact SD-CB 4.48Å; M188-I215 HydrophobicContact SD-CG2 4.09Å; M188-I218 HydrophobicContact CE-CD1 4.37Å; M188-I218 HydrophobicContact CE-CG1 4.25Å; M188-I218 HydrophobicContact CG-CD1 3.66Å; M188-I218 HydrophobicContact CG-CG1 4.46Å; M188-I218 HydrophobicContact SD-CD1 3.94Å; M188-I218 HydrophobicContact SD-CG1 4.42Å |
| 189 | M | 93.4 | Very high | 95.7 | Very high | 117 Ų | 117 | 35.3 Ų | 35.3 | 58% | 0.576 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62.3 | -42.7 | 177.6 | 178.8 | -96.3 | -174.2 | 0 | 0 | 110.9 | K185 F186 A192 V193 | K185-M189 WeakPolarHBondContact O-CB 3.32Å; K185-M189 PolarHBondContact O-N 3.41Å; F186-M189 PolarHBondContact O-N 3.14Å; M189-A192 PolarHBondContact O-N 3.14Å; M189-V193 HydrophobicContact CE-CG2 4Å; M189-V193 VanDerWaalsContact O-CG2 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 3.29Å; M189-V193 HydrophobicContact SD-CG2 4.22Å |
| 190 | R | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | -179 | -171.8 | 56.7 | 174.1 | 166 | 1.1 | 112.2 | I38 C39 L40 F186 L187 M188 A192 V193 D194 | I38-R190 PolarHBondContact O-NH1 3.2Å; C39-R190 PolarHBondContact O-NH1 3.46Å; C39-R190 PolarHBondContact O-NH2 2.86Å; L40-R190 VanDerWaalsContact CG-NH1 3.31Å; F186-R190 HydrophobicContact CE1-CB 4.44Å; F186-R190 HydrophobicContact CZ-CB 4.33Å; F186-R190 HydrophobicContact CZ-CG 4.23Å; F186-R190 WeakPolarHBondContact O-CB 3.24Å; F186-R190 PolarHBondContact O-N 3.22Å; L187-R190 PolarHBondContact O-N 3.44Å; M188-R190 VanDerWaalsContact C-N 3.32Å; M188-R190 PolarHBondContact O-N 3.32Å; R190-A192 PolarHBondContact O-N 2.94Å; R190-V193 PolarHBondContact O-N 3.09Å; R190-D194 IonicContact CZ-OD1 3.94Å; R190-D194 VanDerWaalsContact CZ-OD1 3.25Å; R190-D194 IonicContact NE-OD1 2.84Å; R190-D194 PolarHBondContact NE-OD1 3.12Å; R190-D194 IonicContact NE-OD2 3.43Å; R190-D194 IonicContact NH1-OD1 3.25Å; R190-D194 IonicContact NH2-OD1 3.25Å; R190-D194 VanDerWaalsContact O-CB 3.3Å; R190-D194 WeakPolarHBondContact O-CB 3.32Å; R190-D194 VanDerWaalsContact O-CG 3.27Å; R190-D194 PolarHBondContact O-N 3.35Å |
| 191 | A | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L165 L187 M188 D194 L195 I211 | L165-A191 HydrophobicContact CD2-CB 3.49Å; L165-A191 VanDerWaalsContact CD2-CB 3.49Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.15Å; M188-A191 PolarHBondContact O-N 3.17Å; A191-D194 PolarHBondContact O-N 3.49Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.76Å; A191-I211 HydrophobicContact CB-CD1 3.74Å; A191-I211 HydrophobicContact CB-CG1 4.34Å |
| 192 | A | 94.1 | Very high | 94.8 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M188 M189 R190 L196 E208 I211 | M188-A192 PolarHBondContact O-N 3.42Å; M189-A192 PolarHBondContact O-N 3.14Å; R190-A192 PolarHBondContact O-N 2.94Å; A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.86Å; A192-E208 HydrophobicContact CB-CG 4.39Å; A192-I211 HydrophobicContact CB-CG1 4.45Å |
| 193 | V | 93.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | I38 M189 R190 L196 T197 | I38-V193 HydrophobicContact CG2-CG1 4.18Å; I38-V193 WeakPolarHBondContact O-CG1 3.11Å; M189-V193 HydrophobicContact CE-CG2 4Å; M189-V193 VanDerWaalsContact O-CG2 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 3.29Å; M189-V193 HydrophobicContact SD-CG2 4.22Å; R190-V193 PolarHBondContact O-N 3.09Å; V193-L196 PolarHBondContact O-N 2.83Å; V193-T197 HydrophobicContact CG1-CG2 4.38Å; V193-T197 WeakPolarHBondContact O-CB 3.46Å; V193-T197 WeakPolarHBondContact O-CG2 3.48Å; V193-T197 PolarHBondContact O-N 3.43Å; V193-T197 PolarHBondContact O-OG1 3.18Å |
| 194 | D | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 179.7 | -76.4 | -17.8 | 0 | 0 | 0 | 111.4 | I164 R167 H169 R190 A191 L196 T197 K198 | I164-D194 HydrophobicContact CG2-CB 3.62Å; R167-D194 IonicContact CZ-OD1 2.67Å; R167-D194 IonicContact CZ-OD2 3.61Å; R167-D194 IonicContact NE-OD2 2.69Å; R167-D194 PolarHBondContact NE-OD2 2.91Å; R167-D194 IonicContact NH2-OD1 3.8Å; R167-D194 PolarHBondContact NH2-OD1 3.36Å; R167-D194 IonicContact NH2-OD2 3.18Å; R167-D194 PolarHBondContact NH2-OD2 3.2Å; H169-D194 IonicContact CE1-OD2 2.86Å; R190-D194 IonicContact CZ-OD1 3.94Å; R190-D194 VanDerWaalsContact CZ-OD1 3.25Å; R190-D194 IonicContact NE-OD1 2.84Å; R190-D194 PolarHBondContact NE-OD1 3.12Å; R190-D194 IonicContact NE-OD2 3.43Å; R190-D194 IonicContact NH1-OD1 3.25Å; R190-D194 IonicContact NH2-OD1 3.25Å; R190-D194 VanDerWaalsContact O-CB 3.3Å; R190-D194 WeakPolarHBondContact O-CB 3.32Å; R190-D194 VanDerWaalsContact O-CG 3.27Å; R190-D194 PolarHBondContact O-N 3.35Å; A191-D194 PolarHBondContact O-N 3.49Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 2.91Å; D194-T197 PolarHBondContact O-N 3.5Å; D194-K198 WeakPolarHBondContact O-CA 3.45Å; D194-K198 VanDerWaalsContact O-CB 3.23Å; D194-K198 WeakPolarHBondContact O-CB 3.34Å; D194-K198 PolarHBondContact O-N 3.05Å |
| 195 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 172.6 | -69.7 | -173.9 | 0 | 0 | 0 | 112 | F157 A161 I164 L165 A191 T197 A199 T203 S204 A207 I211 | F157-L195 HydrophobicContact CD1-CD1 4.46Å; F157-L195 HydrophobicContact CE1-CD1 4.08Å; A161-L195 HydrophobicContact CB-CD2 3.75Å; I164-L195 HydrophobicContact CB-CD2 4.23Å; I164-L195 HydrophobicContact CD1-CD2 4.45Å; I164-L195 HydrophobicContact CG2-CD2 4.06Å; L165-L195 HydrophobicContact CD1-CD1 4.28Å; L165-L195 HydrophobicContact CD2-CD1 4.27Å; L165-L195 HydrophobicContact CD2-CD2 4.18Å; L165-L195 HydrophobicContact CD2-CG 3.89Å; L165-L195 HydrophobicContact CG-CD1 4.5Å; L165-L195 HydrophobicContact CG-CD2 4.08Å; L165-L195 HydrophobicContact CG-CG 4.27Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.76Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.58Å; L195-A199 HydrophobicContact CD2-CB 4.34Å; L195-A199 WeakPolarHBondContact O-CB 3.5Å; L195-A199 PolarHBondContact O-N 3.49Å; L195-T203 HydrophobicContact CD2-CG2 4.27Å; L195-S204 PolarHBondContact O-OG 3.05Å; L195-A207 HydrophobicContact CB-CB 3.68Å; L195-I211 HydrophobicContact CD1-CD1 3.67Å; L195-I211 HydrophobicContact CD1-CG1 4.02Å |
| 196 | L | 93.2 | Very high | 93.7 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.3 | 177.4 | 67.2 | 0 | 0 | 0 | 111.3 | R63 A192 V193 D194 S204 A207 | R63-L196 HydrophobicContact CB-CD1 4.25Å; R63-L196 HydrophobicContact CB-CG 4.45Å; R63-L196 WeakPolarHBondContact CD-O 3.42Å; R63-L196 VanDerWaalsContact CZ-O 3.3Å; R63-L196 PolarHBondContact NE-O 3.11Å; R63-L196 PolarHBondContact NH1-O 2.69Å; A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.86Å; V193-L196 PolarHBondContact O-N 2.83Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 2.91Å; L196-S204 WeakPolarHBondContact O-CB 3.38Å; L196-S204 PolarHBondContact O-OG 3Å; L196-A207 HydrophobicContact CB-CB 4.37Å |
| 197 | T | 93.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -102 | -11.7 | -170.1 | 57.6 | 0 | 0 | 0 | 0 | 115.4 | I38 C39 C60 R63 V193 D194 L195 | I38-T197 HydrophobicContact CG2-CG2 3.64Å; C39-T197 HydrophobicContact CB-CG2 4.41Å; C60-T197 HydrophobicContact CB-CG2 4.34Å; R63-T197 VanDerWaalsContact CZ-C 3.41Å; R63-T197 VanDerWaalsContact CZ-CA 3.44Å; R63-T197 VanDerWaalsContact NH1-CA 3.33Å; R63-T197 PolarHBondContact NH1-O 3.32Å; R63-T197 VanDerWaalsContact NH1-O 3.13Å; R63-T197 PolarHBondContact NH2-O 3.14Å; V193-T197 HydrophobicContact CG1-CG2 4.38Å; V193-T197 WeakPolarHBondContact O-CB 3.46Å; V193-T197 WeakPolarHBondContact O-CG2 3.48Å; V193-T197 PolarHBondContact O-N 3.43Å; V193-T197 PolarHBondContact O-OG1 3.18Å; D194-T197 PolarHBondContact O-N 3.5Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.58Å |
| 198 | K | 92.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -130 | -17.2 | -173.3 | -56.6 | -177.2 | 177.9 | -167.2 | 0 | 114 | D41 I164 R167 D194 | D41-K198 IonicContact OD1-NZ 3.58Å; D41-K198 PolarHBondContact OD1-NZ 3.1Å; D41-K198 WeakPolarHBondContact OD2-CE 3.05Å; D41-K198 IonicContact OD2-NZ 3.5Å; D41-K198 PolarHBondContact OD2-NZ 3.19Å; I164-K198 HydrophobicContact CD1-CB 3.98Å; I164-K198 WeakPolarHBondContact CD1-O 3.4Å; I164-K198 HydrophobicContact CG1-CB 4.13Å; I164-K198 HydrophobicContact CG2-CB 4.11Å; R167-K198 VanDerWaalsContact CZ-NZ 3.3Å; R167-K198 VanDerWaalsContact NH1-NZ 3.1Å; R167-K198 VanDerWaalsContact NH2-NZ 3.15Å; D194-K198 WeakPolarHBondContact O-CA 3.45Å; D194-K198 VanDerWaalsContact O-CB 3.23Å; D194-K198 WeakPolarHBondContact O-CB 3.34Å; D194-K198 PolarHBondContact O-N 3.05Å |
| 199 | A | 93.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -79 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I164 L195 T203 S204 | I164-A199 HydrophobicContact CD1-CB 3.79Å; L195-A199 HydrophobicContact CD2-CB 4.34Å; L195-A199 WeakPolarHBondContact O-CB 3.5Å; L195-A199 PolarHBondContact O-N 3.49Å; A199-T203 HydrophobicContact CB-CG2 3.5Å; A199-S204 PolarHBondContact O-OG 3.36Å |
| 200 | D | 92.8 | Very high | 93.3 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | trans | -62.6 | 161.1 | 168.4 | 61.9 | -82.2 | 0 | 0 | 0 | 111.5 | E202 T203 S204 | D200-E202 PolarHBondContact O-N 3Å; D200-E202 VanDerWaalsContact O-N 3.15Å; D200-E202 PolarHBondContact OD2-N 3.35Å; D200-T203 PolarHBondContact O-N 3.43Å; D200-T203 WeakPolarHBondContact OD1-CB 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.84Å; D200-T203 PolarHBondContact OD2-N 3.31Å; D200-T203 PolarHBondContact OD2-OG1 2.99Å; D200-S204 WeakPolarHBondContact O-CB 3.27Å; D200-S204 PolarHBondContact O-N 3.48Å; D200-S204 PolarHBondContact O-OG 2.82Å | ||
| 201 | D | 90.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.6 | -32.7 | -173.4 | -90.3 | -19.2 | 0 | 0 | 0 | 113.9 | K205 | D201-K205 WeakPolarHBondContact O-CD 3.4Å; D201-K205 VanDerWaalsContact O-CG 3.24Å; D201-K205 WeakPolarHBondContact O-CG 3.43Å; D201-K205 PolarHBondContact O-N 3.2Å |
| 202 | E | 91.5 | Very high | 93.2 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.7 | -47.4 | -179.2 | -169.4 | 55.9 | -151.4 | 0 | 0 | 110.9 | D200 S204 K205 N206 | D200-E202 PolarHBondContact O-N 3Å; D200-E202 VanDerWaalsContact O-N 3.15Å; D200-E202 PolarHBondContact OD2-N 3.35Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.1Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.76Å; E202-N206 PolarHBondContact O-N 3.45Å; E202-N206 PolarHBondContact O-ND2 3.04Å; E202-N206 PolarHBondContact OE1-ND2 2.87Å; E202-N206 VanDerWaalsContact OE1-ND2 3.1Å |
| 203 | T | 93.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | A161 L195 A199 D200 K205 N206 A207 L210 | A161-T203 HydrophobicContact CB-CG2 4.3Å; L195-T203 HydrophobicContact CD2-CG2 4.27Å; A199-T203 HydrophobicContact CB-CG2 3.5Å; D200-T203 PolarHBondContact O-N 3.43Å; D200-T203 WeakPolarHBondContact OD1-CB 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.84Å; D200-T203 PolarHBondContact OD2-N 3.31Å; D200-T203 PolarHBondContact OD2-OG1 2.99Å; T203-K205 PolarHBondContact O-N 3.46Å; T203-N206 CarbonylContact O-C 3.49Å; T203-N206 PolarHBondContact O-N 3.39Å; T203-A207 WeakPolarHBondContact O-CA 3.2Å; T203-A207 PolarHBondContact O-N 2.98Å; T203-L210 HydrophobicContact CG2-CD1 3.82Å |
| 204 | S | 92.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | -179.6 | -75.4 | 0 | 0 | 0 | 0 | 113.1 | R63 L195 L196 A199 D200 E202 N206 A207 | R63-S204 PolarHBondContact NH1-OG 3.13Å; L195-S204 PolarHBondContact O-OG 3.05Å; L196-S204 WeakPolarHBondContact O-CB 3.38Å; L196-S204 PolarHBondContact O-OG 3Å; A199-S204 PolarHBondContact O-OG 3.36Å; D200-S204 WeakPolarHBondContact O-CB 3.27Å; D200-S204 PolarHBondContact O-N 3.48Å; D200-S204 PolarHBondContact O-OG 2.82Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.1Å; S204-N206 VanDerWaalsContact C-N 3.32Å; S204-A207 WeakPolarHBondContact O-CB 3.33Å |
| 205 | K | 90.9 | Very high | 93.2 | Very high | 149 Ų | 149 | 58 Ų | 58 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 176.7 | -72.9 | 167.7 | -164.7 | 165.1 | 0 | 112.4 | D201 E202 T203 | D201-K205 WeakPolarHBondContact O-CD 3.4Å; D201-K205 VanDerWaalsContact O-CG 3.24Å; D201-K205 WeakPolarHBondContact O-CG 3.43Å; D201-K205 PolarHBondContact O-N 3.2Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.76Å; T203-K205 PolarHBondContact O-N 3.46Å |
| 206 | N | 91.9 | Very high | 93 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7 | -177.1 | -61.2 | -54.9 | 0 | 0 | 0 | 113 | E202 T203 S204 E208 Q209 L210 | E202-N206 PolarHBondContact O-N 3.45Å; E202-N206 PolarHBondContact O-ND2 3.04Å; E202-N206 PolarHBondContact OE1-ND2 2.87Å; E202-N206 VanDerWaalsContact OE1-ND2 3.1Å; T203-N206 CarbonylContact O-C 3.49Å; T203-N206 PolarHBondContact O-N 3.39Å; S204-N206 VanDerWaalsContact C-N 3.32Å; N206-E208 PolarHBondContact O-N 2.66Å; N206-Q209 WeakPolarHBondContact O-CB 3.24Å; N206-Q209 PolarHBondContact O-N 3.34Å; N206-L210 HydrophobicContact CB-CD1 4.18Å; N206-L210 HydrophobicContact CB-CG 4.19Å; N206-L210 WeakPolarHBondContact O-CG 3.42Å; N206-L210 PolarHBondContact O-N 3.21Å |
| 207 | A | 93.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52 | -52.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L195 L196 T203 S204 Q209 L210 I211 | L195-A207 HydrophobicContact CB-CB 3.68Å; L196-A207 HydrophobicContact CB-CB 4.37Å; T203-A207 WeakPolarHBondContact O-CA 3.2Å; T203-A207 PolarHBondContact O-N 2.98Å; S204-A207 WeakPolarHBondContact O-CB 3.33Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.32Å; A207-L210 PolarHBondContact O-N 3.11Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.3Å |
| 208 | E | 92.5 | Very high | 93 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.4 | -70.5 | -168.6 | -161.4 | 0 | 0 | 112.6 | A192 N206 I211 R212 | A192-E208 HydrophobicContact CB-CG 4.39Å; N206-E208 PolarHBondContact O-N 2.66Å; E208-I211 PolarHBondContact O-N 2.82Å; E208-R212 WeakPolarHBondContact O-CB 3.46Å; E208-R212 VanDerWaalsContact O-CG 3.27Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.3Å; E208-R212 IonicContact OE2-NH2 3.8Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å |
| 209 | Q | 93.7 | Very high | 93 | Very high | 105 Ų | 105 | 64 Ų | 64 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 178.7 | -178.7 | 177.2 | -18.1 | 0 | 0 | 111 | N206 A207 I211 R212 Q213 | N206-Q209 WeakPolarHBondContact O-CB 3.24Å; N206-Q209 PolarHBondContact O-N 3.34Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.32Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.15Å; Q209-R212 PolarHBondContact O-N 2.96Å; Q209-Q213 HydrophobicContact CG-CG 4.19Å; Q209-Q213 VanDerWaalsContact O-CB 3.31Å; Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.28Å; Q209-Q213 PolarHBondContact O-N 3.49Å |
| 210 | L | 94.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.8 | -73.3 | 171.9 | 0 | 0 | 0 | 111.8 | F157 T203 N206 A207 N214 | F157-L210 HydrophobicContact CE1-CB 4.36Å; T203-L210 HydrophobicContact CG2-CD1 3.82Å; N206-L210 HydrophobicContact CB-CD1 4.18Å; N206-L210 HydrophobicContact CB-CG 4.19Å; N206-L210 WeakPolarHBondContact O-CG 3.42Å; N206-L210 PolarHBondContact O-N 3.21Å; A207-L210 PolarHBondContact O-N 3.11Å; L210-N214 VanDerWaalsContact O-CB 3.26Å; L210-N214 WeakPolarHBondContact O-CB 3.36Å; L210-N214 PolarHBondContact O-N 3.3Å; L210-N214 PolarHBondContact O-ND2 3.28Å |
| 211 | I | 95.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 176 | -66 | -58 | 0 | 0 | 0 | 110.7 | F157 L165 M188 A191 A192 L195 A207 E208 Q209 Q213 N214 I215 | F157-I211 HydrophobicContact CE1-CD1 4Å; F157-I211 HydrophobicContact CZ-CD1 4.05Å; L165-I211 HydrophobicContact CD1-CD1 4.05Å; L165-I211 HydrophobicContact CD2-CD1 4.09Å; M188-I211 HydrophobicContact SD-CG2 3.92Å; A191-I211 HydrophobicContact CB-CD1 3.74Å; A191-I211 HydrophobicContact CB-CG1 4.34Å; A192-I211 HydrophobicContact CB-CG1 4.45Å; L195-I211 HydrophobicContact CD1-CD1 3.67Å; L195-I211 HydrophobicContact CD1-CG1 4.02Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.3Å; E208-I211 PolarHBondContact O-N 2.82Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.15Å; I211-Q213 VanDerWaalsContact C-N 3.33Å; I211-Q213 PolarHBondContact O-N 3.01Å; I211-N214 PolarHBondContact O-N 2.85Å; I211-I215 HydrophobicContact CD1-CD1 3.74Å; I211-I215 HydrophobicContact CG2-CD1 4.2Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 PolarHBondContact O-N 3.14Å |
| 212 | R | 93.5 | Very high | 93.4 | Very high | 190 Ų | 190 | 55.9 Ų | 55.9 | 72% | 0.717 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | -178 | -71.3 | 177.3 | -170 | -155.6 | 9.9 | 113.6 | E208 Q209 | E208-R212 WeakPolarHBondContact O-CB 3.46Å; E208-R212 VanDerWaalsContact O-CG 3.27Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.3Å; E208-R212 IonicContact OE2-NH2 3.8Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å; Q209-R212 PolarHBondContact O-N 2.96Å |
| 213 | Q | 94 | Very high | 93.5 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -82.5 | -29.2 | -177.8 | -72.4 | -178.1 | -27.9 | 0 | 0 | 113 | Q209 I211 V264 | Q209-Q213 HydrophobicContact CG-CG 4.19Å; Q209-Q213 VanDerWaalsContact O-CB 3.31Å; Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.28Å; Q209-Q213 PolarHBondContact O-N 3.49Å; I211-Q213 VanDerWaalsContact C-N 3.33Å; I211-Q213 PolarHBondContact O-N 3.01Å; Q213-V264 WeakPolarHBondContact O-CG2 3.42Å |
| 214 | N | 94.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -107.4 | -23.6 | -172.9 | -62.4 | -56.8 | 0 | 0 | 0 | 113.9 | K156 F157 L210 I211 E263 V264 | K156-N214 HydrophobicContact CB-CB 3.99Å; F157-N214 HydrophobicContact CD2-CB 4.46Å; F157-N214 HydrophobicContact CE2-CB 3.63Å; F157-N214 HydrophobicContact CZ-CB 3.71Å; L210-N214 VanDerWaalsContact O-CB 3.26Å; L210-N214 WeakPolarHBondContact O-CB 3.36Å; L210-N214 PolarHBondContact O-N 3.3Å; L210-N214 PolarHBondContact O-ND2 3.28Å; I211-N214 PolarHBondContact O-N 2.85Å; N214-E263 CarbonylContact O-C 3.6Å; N214-E263 WeakPolarHBondContact O-CA 3.45Å; N214-V264 PolarHBondContact O-N 2.88Å |
| 215 | I | 94.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.3 | 178.9 | -53.3 | -173.3 | 0 | 0 | 0 | 109.8 | F157 M188 I211 I218 Y261 | F157-I215 HydrophobicContact CE2-CD1 4.45Å; F157-I215 HydrophobicContact CE2-CG1 4.03Å; F157-I215 HydrophobicContact CZ-CD1 4.09Å; F157-I215 HydrophobicContact CZ-CG1 3.85Å; M188-I215 HydrophobicContact CE-CB 4.19Å; M188-I215 HydrophobicContact CE-CG2 3.64Å; M188-I215 HydrophobicContact SD-CB 4.48Å; M188-I215 HydrophobicContact SD-CG2 4.09Å; I211-I215 HydrophobicContact CD1-CD1 3.74Å; I211-I215 HydrophobicContact CG2-CD1 4.2Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 PolarHBondContact O-N 3.14Å; I215-I218 HydrophobicContact CG2-CG1 4.37Å; I215-Y261 HydrophobicContact CD1-CD1 3.69Å; I215-Y261 HydrophobicContact CD1-CE1 3.98Å; I215-Y261 HydrophobicContact CD1-CG 4.01Å; I215-Y261 HydrophobicContact CG2-CD1 3.83Å; I215-Y261 HydrophobicContact CG2-CG 4.48Å |
| 216 | Q | 91.6 | Very high | 92.7 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -48.6 | 179 | -173.7 | 176.3 | 0 | 0 | 0 | 112.1 | H262 V264 | Q216-H262 PolarHBondContact N-O 2.99Å; Q216-V264 HydrophobicContact CB-CG2 3.84Å |
| 217 | E | 91.4 | Very high | 92.5 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 157.5 | -175.4 | -172.7 | -179.2 | -177.5 | 0 | 0 | 110.2 | K184 H262 | K184-E217 IonicContact NZ-OE1 3.51Å; E217-H262 HydrophobicContact CB-CB 4.37Å; E217-H262 PolarHBondContact O-N 3.45Å |
| 218 | I | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124 | 169.7 | -51.1 | -174.7 | 0 | 0 | 0 | 109.4 | K184 L187 M188 I215 I220 Y260 Y261 | K184-I218 WeakPolarHBondContact CE-O 3.29Å; K184-I218 HydrophobicContact CG-CB 4.32Å; L187-I218 HydrophobicContact CB-CD1 3.58Å; L187-I218 HydrophobicContact CD1-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å; M188-I218 HydrophobicContact CE-CD1 4.37Å; M188-I218 HydrophobicContact CE-CG1 4.25Å; M188-I218 HydrophobicContact CG-CD1 3.66Å; M188-I218 HydrophobicContact CG-CG1 4.46Å; M188-I218 HydrophobicContact SD-CD1 3.94Å; M188-I218 HydrophobicContact SD-CG1 4.42Å; I215-I218 HydrophobicContact CG2-CG1 4.37Å; I218-I220 HydrophobicContact CG2-CD1 4.06Å; I218-Y260 WeakPolarHBondContact CA-O 3.31Å; I218-Y261 HydrophobicContact CD1-CD1 3.93Å; I218-Y261 HydrophobicContact CD1-CE1 3.55Å; I218-Y261 HydrophobicContact CG1-CD1 3.81Å; I218-Y261 HydrophobicContact CG1-CE1 3.98Å |
| 219 | T | 93.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136 | 168.4 | -74 | 0 | 0 | 0 | 0 | 110.3 | N232 Y259 Y260 H262 | T219-N232 VanDerWaalsContact CA-OD1 3.24Å; T219-N232 WeakPolarHBondContact CA-OD1 3.3Å; T219-N232 WeakPolarHBondContact CG2-ND2 3.41Å; T219-N232 WeakPolarHBondContact CG2-OD1 3.33Å; T219-N232 PolarHBondContact OG1-ND2 2.91Å; T219-Y259 CarbonylContact O-C 3.47Å; T219-Y259 VanDerWaalsContact O-CA 3.26Å; T219-Y259 WeakPolarHBondContact O-CA 3.47Å; T219-Y260 PolarHBondContact N-O 3.05Å; T219-Y260 PolarHBondContact O-N 3.3Å; T219-H262 PolarHBondContact OG1-CD2 3.5Å; T219-H262 PolarHBondContact OG1-NE2 3.15Å |
| 220 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.5 | 171.5 | -59.1 | -58.3 | 0 | 0 | 0 | 108.8 | L146 I180 L183 K184 L187 I218 L231 N232 F257 Y258 | L146-I220 HydrophobicContact CD1-CD1 4.3Å; I180-I220 HydrophobicContact CD1-CG2 4.46Å; I180-I220 HydrophobicContact CG2-CB 4.11Å; I180-I220 HydrophobicContact CG2-CG1 4.25Å; I180-I220 HydrophobicContact CG2-CG2 4.47Å; L183-I220 HydrophobicContact CB-CD1 4.44Å; L183-I220 HydrophobicContact CB-CG1 4.4Å; L183-I220 HydrophobicContact CD1-CG2 4.25Å; K184-I220 HydrophobicContact CG-CG1 3.95Å; L187-I220 HydrophobicContact CD1-CD1 3.62Å; I218-I220 HydrophobicContact CG2-CD1 4.06Å; I220-L231 HydrophobicContact CG2-CD1 4.22Å; I220-L231 PolarHBondContact O-N 3.42Å; I220-N232 PolarHBondContact N-OD1 3.48Å; I220-N232 VanDerWaalsContact N-OD1 3.14Å; I220-F257 HydrophobicContact CG2-CD1 4.12Å; I220-Y258 CarbonylContact C-O 3.56Å; I220-Y258 WeakPolarHBondContact CA-O 3.48Å |
| 221 | C | 94.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.1 | 171.3 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | L228 I229 F257 Y258 | C221-L228 HydrophobicContact CB-CB 4Å; C221-L228 HydrophobicContact CB-CD1 4.43Å; C221-I229 CarbonylContact C-O 3.51Å; C221-I229 WeakPolarHBondContact CA-O 3.49Å; C221-F257 CarbonylContact O-C 3.59Å; C221-F257 WeakPolarHBondContact O-CA 3.32Å; C221-Y258 PolarHBondContact N-O 3.31Å; C221-Y258 PolarHBondContact O-N 2.97Å |
| 222 | A | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 140.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | L228 I229 L231 L251 F257 | A222-L228 WeakPolarHBondContact O-CA 3.23Å; A222-I229 PolarHBondContact N-O 3.21Å; A222-I229 PolarHBondContact O-N 2.84Å; A222-L231 HydrophobicContact CB-CD1 4.03Å; A222-L231 HydrophobicContact CB-CG 4.47Å; A222-L251 HydrophobicContact CB-CD1 4Å; A222-L251 HydrophobicContact CB-CD2 4.44Å; A222-F257 HydrophobicContact CB-CD1 4.02Å; A222-F257 HydrophobicContact CB-CE1 3.91Å |
| 223 | R | 93.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.6 | 173.3 | -174.9 | -176.5 | -175.8 | 159.3 | 4.6 | 110.8 | G225 E227 L228 L251 Q256 Y258 | R223-G225 PolarHBondContact NE-O 2.94Å; R223-E227 WeakPolarHBondContact CA-O 3.22Å; R223-L228 HydrophobicContact CB-CD2 3.95Å; R223-L228 HydrophobicContact CG-CD2 4.3Å; R223-L251 WeakPolarHBondContact O-CD1 3.2Å; R223-Q256 HydrophobicContact CB-CB 4.05Å; R223-Q256 PolarHBondContact N-O 3.45Å; R223-Y258 HydrophobicContact CB-CD2 4.37Å; R223-Y258 HydrophobicContact CB-CE2 3.95Å; R223-Y258 HydrophobicContact CG-CE2 4.45Å |
| 224 | A | 90.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 106.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | N226 E227 I229 S249 G250 L251 | A224-N226 PolarHBondContact O-N 3.04Å; A224-N226 VanDerWaalsContact O-N 3.08Å; A224-E227 PolarHBondContact N-O 2.95Å; A224-E227 PolarHBondContact O-N 2.62Å; A224-I229 HydrophobicContact CB-CD1 3.54Å; A224-I229 HydrophobicContact CB-CG1 4.07Å; A224-S249 WeakPolarHBondContact CB-O 3.41Å; A224-G250 CarbonylContact C-O 3.58Å; A224-G250 WeakPolarHBondContact CA-O 3.35Å; A224-L251 HydrophobicContact CB-CB 4.41Å |
| 225 | G | 86 | Confident | 91.4 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -114.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R223 G250 | R223-G225 PolarHBondContact NE-O 2.94Å; G225-G250 PolarHBondContact N-O 3.38Å |
| 226 | N | 84 | Confident | 91.5 | Very high | 129 Ų | 129 | 46.3 Ų | 46.3 | 69% | 0.69 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 17.4 | 178.7 | -68.6 | -13.7 | 0 | 0 | 0 | 112.9 | A224 L276 | A224-N226 PolarHBondContact O-N 3.04Å; A224-N226 VanDerWaalsContact O-N 3.08Å; N226-L276 VanDerWaalsContact C-CD1 3.44Å; N226-L276 WeakPolarHBondContact O-CB 3.29Å; N226-L276 VanDerWaalsContact O-CD1 3.26Å; N226-L276 WeakPolarHBondContact O-CD1 3.24Å |
| 227 | E | 86.3 | Confident | 91.8 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 159.6 | -178.8 | -65.1 | -174.8 | -179.4 | 0 | 0 | 111.9 | R223 A224 | R223-E227 WeakPolarHBondContact CA-O 3.22Å; A224-E227 PolarHBondContact N-O 2.95Å; A224-E227 PolarHBondContact O-N 2.62Å |
| 228 | L | 90 | Very high | 92.1 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113 | 171.5 | -68.5 | -169.7 | 0 | 0 | 0 | 110.1 | Y149 C221 A222 R223 Y258 P275 | Y149-L228 HydrophobicContact CD2-CD1 3.98Å; Y149-L228 HydrophobicContact CE2-CD1 3.54Å; C221-L228 HydrophobicContact CB-CB 4Å; C221-L228 HydrophobicContact CB-CD1 4.43Å; A222-L228 WeakPolarHBondContact O-CA 3.23Å; R223-L228 HydrophobicContact CB-CD2 3.95Å; R223-L228 HydrophobicContact CG-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CG 4.09Å; L228-Y258 HydrophobicContact CD2-CD2 3.45Å; L228-Y258 VanDerWaalsContact CD2-CD2 3.45Å; L228-Y258 HydrophobicContact CD2-CE2 3.8Å; L228-Y258 HydrophobicContact CD2-CG 4.07Å; L228-P275 VanDerWaalsContact CD1-CD 3.42Å; L228-P275 HydrophobicContact CD1-CG 3.74Å |
| 229 | I | 90.5 | Very high | 92.2 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.1 | 176.9 | -56.4 | 175.5 | 0 | 0 | 0 | 108.2 | C221 A222 A224 L231 F246 | C221-I229 CarbonylContact C-O 3.51Å; C221-I229 WeakPolarHBondContact CA-O 3.49Å; A222-I229 PolarHBondContact N-O 3.21Å; A222-I229 PolarHBondContact O-N 2.84Å; A224-I229 HydrophobicContact CB-CD1 3.54Å; A224-I229 HydrophobicContact CB-CG1 4.07Å; I229-L231 HydrophobicContact CG2-CD2 4.28Å; I229-F246 HydrophobicContact CD1-CB 4.03Å; I229-F246 HydrophobicContact CD1-CD1 3.67Å; I229-F246 HydrophobicContact CD1-CE1 4.35Å; I229-F246 HydrophobicContact CD1-CG 3.97Å; I229-F246 HydrophobicContact CG2-CD1 4.05Å; I229-F246 HydrophobicContact CG2-CE1 3.71Å; I229-F246 HydrophobicContact CG2-CE2 4.34Å; I229-F246 HydrophobicContact CG2-CG 4.49Å; I229-F246 HydrophobicContact CG2-CZ 3.86Å |
| 230 | S | 91.6 | Very high | 92.2 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.6 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | R271 | S230-R271 PolarHBondContact OG-NH2 3.34Å |
| 231 | L | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -106.4 | 13.4 | -177 | -52.4 | -177.6 | 0 | 0 | 0 | 112.9 | I180 I220 A222 I229 S233 L234 V242 F246 F257 | I180-L231 HydrophobicContact CD1-CB 4.3Å; I180-L231 HydrophobicContact CD1-CD1 3.49Å; I180-L231 VanDerWaalsContact CD1-CD1 3.49Å; I180-L231 HydrophobicContact CG1-CB 4.1Å; I180-L231 HydrophobicContact CG1-CD1 4.09Å; I180-L231 HydrophobicContact CG2-CB 4.1Å; I220-L231 HydrophobicContact CG2-CD1 4.22Å; I220-L231 PolarHBondContact O-N 3.42Å; A222-L231 HydrophobicContact CB-CD1 4.03Å; A222-L231 HydrophobicContact CB-CG 4.47Å; I229-L231 HydrophobicContact CG2-CD2 4.28Å; L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.04Å; L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 WeakPolarHBondContact O-CB 3.35Å; L231-L234 PolarHBondContact O-N 2.92Å; L231-V242 HydrophobicContact CD1-CG1 3.81Å; L231-V242 HydrophobicContact CD1-CG2 4.3Å; L231-V242 HydrophobicContact CD2-CG1 4.25Å; L231-F246 HydrophobicContact CD2-CD2 4.26Å; L231-F246 HydrophobicContact CD2-CE2 3.68Å; L231-F246 HydrophobicContact CD2-CZ 4.34Å; L231-F257 HydrophobicContact CD1-CD1 4.13Å; L231-F257 HydrophobicContact CD1-CE1 3.82Å | ||
| 232 | N | 84.5 | Confident | 92.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.6 | -171.3 | -70.3 | -2.4 | 0 | 0 | 0 | 114.3 | T219 I220 L234 | T219-N232 VanDerWaalsContact CA-OD1 3.24Å; T219-N232 WeakPolarHBondContact CA-OD1 3.3Å; T219-N232 WeakPolarHBondContact CG2-ND2 3.41Å; T219-N232 WeakPolarHBondContact CG2-OD1 3.33Å; T219-N232 PolarHBondContact OG1-ND2 2.91Å; I220-N232 PolarHBondContact N-OD1 3.48Å; I220-N232 VanDerWaalsContact N-OD1 3.14Å; N232-L234 VanDerWaalsContact C-N 3.32Å |
| 233 | S | 88.7 | Confident | 92.3 | Very high | 117 Ų | 117 | 46.3 Ų | 46.3 | 82% | 0.818 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.2 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | L231 | L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.04Å |
| 234 | L | 94.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | trans | -115.9 | 32.8 | -174.3 | -56.5 | 178.9 | 0 | 0 | 0 | 111.6 | L231 N232 S236 M237 F246 | L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 WeakPolarHBondContact O-CB 3.35Å; L231-L234 PolarHBondContact O-N 2.92Å; N232-L234 VanDerWaalsContact C-N 3.32Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.49Å; L234-M237 HydrophobicContact CB-CB 4.06Å; L234-M237 HydrophobicContact CD1-SD 4.23Å; L234-M237 HydrophobicContact CD2-CE 4.24Å; L234-M237 VanDerWaalsContact O-CB 3.23Å; L234-M237 WeakPolarHBondContact O-CB 3.49Å; L234-M237 PolarHBondContact O-N 2.95Å; L234-F246 HydrophobicContact CD1-CE2 3.73Å; L234-F246 HydrophobicContact CD1-CZ 3.8Å | ||
| 235 | D | 94.7 | Very high | 92.5 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -36.5 | -172.2 | -84.3 | -13.7 | 0 | 0 | 0 | 114.2 | T179 I180 A181 K184 M237 | T179-D235 WeakPolarHBondContact CB-O 3.45Å; T179-D235 PolarHBondContact OG1-O 3Å; I180-D235 PolarHBondContact N-O 3.36Å; A181-D235 HydrophobicContact CB-CB 4.14Å; A181-D235 VanDerWaalsContact CB-O 3.32Å; A181-D235 WeakPolarHBondContact CB-O 3.47Å; A181-D235 PolarHBondContact N-O 3.2Å; K184-D235 WeakPolarHBondContact CE-OD1 3.43Å; K184-D235 VanDerWaalsContact NZ-CG 3.3Å; K184-D235 IonicContact NZ-OD1 3.11Å; K184-D235 PolarHBondContact NZ-OD1 3.35Å; K184-D235 IonicContact NZ-OD2 3.93Å; K184-D235 PolarHBondContact NZ-OD2 2.82Å; K184-D235 VanDerWaalsContact NZ-OD2 3.11Å; D235-M237 VanDerWaalsContact C-N 3.34Å |
| 236 | S | 97.2 | Very high | 92.8 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.9 | 178 | -52.6 | 0 | 0 | 0 | 0 | 114 | T179 L234 | T179-S236 WeakPolarHBondContact CG2-O 3.36Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.49Å |
| 237 | M | 97.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 53 Ų | 53 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | trans | -76.4 | 129.1 | -177.2 | -168 | 165.8 | -75.8 | 0 | 0 | 110.5 | T179 I180 L234 D235 T241 V242 | T179-M237 VanDerWaalsContact CA-O 3.23Å; T179-M237 WeakPolarHBondContact CA-O 3.48Å; T179-M237 WeakPolarHBondContact CB-O 3.46Å; I180-M237 PolarHBondContact N-O 3Å; I180-M237 VanDerWaalsContact N-O 3.13Å; L234-M237 HydrophobicContact CB-CB 4.06Å; L234-M237 HydrophobicContact CD1-SD 4.23Å; L234-M237 HydrophobicContact CD2-CE 4.24Å; L234-M237 VanDerWaalsContact O-CB 3.23Å; L234-M237 WeakPolarHBondContact O-CB 3.49Å; L234-M237 PolarHBondContact O-N 2.95Å; D235-M237 VanDerWaalsContact C-N 3.34Å; M237-T241 HydrophobicContact CE-CG2 3.92Å; M237-T241 HydrophobicContact CG-CG2 3.69Å; M237-T241 HydrophobicContact SD-CG2 3.81Å; M237-V242 HydrophobicContact CB-CG2 4.21Å; M237-V242 HydrophobicContact CG-CG2 3.74Å; M237-V242 HydrophobicContact SD-CG2 3.94Å | ||
| 238 | N | 97 | Very high | 93.4 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 161.2 | 175.4 | 68.3 | 32.9 | 0 | 0 | 0 | 112.4 | V176 C178 T179 L240 T241 V242 | V176-N238 WeakPolarHBondContact O-CB 3.39Å; V176-N238 PolarHBondContact O-ND2 3.32Å; C178-N238 CarbonylContact O-C 3.5Å; C178-N238 WeakPolarHBondContact O-CA 3.45Å; C178-N238 WeakPolarHBondContact O-CB 3.24Å; T179-N238 HydrophobicContact CG2-CB 4.35Å; N238-L240 VanDerWaalsContact C-N 3.31Å; N238-L240 PolarHBondContact O-N 3.45Å; N238-L240 PolarHBondContact OD1-N 3.03Å; N238-T241 PolarHBondContact O-N 3.35Å; N238-T241 VanDerWaalsContact O-N 3.12Å; N238-T241 WeakPolarHBondContact OD1-CB 3.34Å; N238-T241 PolarHBondContact OD1-N 2.8Å; N238-T241 PolarHBondContact OD1-OG1 2.71Å; N238-V242 WeakPolarHBondContact O-CG2 3.36Å; N238-V242 PolarHBondContact O-N 3.43Å |
| 239 | I | 96.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -37.7 | -175 | -53.9 | -54 | 0 | 0 | 0 | 112.3 | I142 S175 C178 I180 L183 T241 V242 F243 L255 F257 | I142-I239 HydrophobicContact CD1-CB 3.91Å; I142-I239 HydrophobicContact CD1-CG1 4.49Å; I142-I239 HydrophobicContact CD1-CG2 3.38Å; S175-I239 PolarHBondContact O-N 3.14Å; C178-I239 HydrophobicContact CB-CG1 4.14Å; C178-I239 WeakPolarHBondContact O-CG1 3.38Å; C178-I239 PolarHBondContact O-N 3.34Å; I180-I239 HydrophobicContact CD1-CD1 4.05Å; L183-I239 HydrophobicContact CD1-CD1 3.87Å; L183-I239 HydrophobicContact CG-CD1 4.29Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.78Å; I239-V242 PolarHBondContact O-N 2.76Å; I239-F243 PolarHBondContact O-N 2.84Å; I239-L255 HydrophobicContact CG2-CD1 3.68Å; I239-F257 HydrophobicContact CD1-CE2 4.49Å; I239-F257 HydrophobicContact CD1-CZ 4.08Å; I239-F257 HydrophobicContact CG2-CE2 4.26Å; I239-F257 HydrophobicContact CG2-CZ 4.01Å |
| 240 | L | 95.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.9 | -178.4 | 62.5 | 0 | 0 | 0 | 111.4 | S175 V176 N238 F243 S244 | S175-L240 WeakPolarHBondContact O-CB 3.41Å; S175-L240 PolarHBondContact O-N 3Å; V176-L240 HydrophobicContact CG1-CB 4.45Å; V176-L240 HydrophobicContact CG1-CD2 3.66Å; N238-L240 VanDerWaalsContact C-N 3.31Å; N238-L240 PolarHBondContact O-N 3.45Å; N238-L240 PolarHBondContact OD1-N 3.03Å; L240-F243 PolarHBondContact O-N 3.21Å; L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 2.97Å; L240-S244 PolarHBondContact O-OG 3.32Å; L240-S244 VanDerWaalsContact O-OG 3.12Å |
| 241 | T | 96.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | M237 N238 I239 F243 S244 R245 | M237-T241 HydrophobicContact CE-CG2 3.92Å; M237-T241 HydrophobicContact CG-CG2 3.69Å; M237-T241 HydrophobicContact SD-CG2 3.81Å; N238-T241 PolarHBondContact O-N 3.35Å; N238-T241 VanDerWaalsContact O-N 3.12Å; N238-T241 WeakPolarHBondContact OD1-CB 3.34Å; N238-T241 PolarHBondContact OD1-N 2.8Å; N238-T241 PolarHBondContact OD1-OG1 2.71Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.78Å; T241-F243 VanDerWaalsContact C-N 3.34Å; T241-S244 PolarHBondContact O-N 3.4Å; T241-R245 WeakPolarHBondContact O-CB 3.5Å; T241-R245 PolarHBondContact O-N 3.38Å |
| 242 | V | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 171.6 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | I180 L231 M237 N238 I239 R245 F246 L251 F257 | I180-V242 HydrophobicContact CD1-CG2 4.09Å; I180-V242 HydrophobicContact CG1-CG2 4.18Å; L231-V242 HydrophobicContact CD1-CG1 3.81Å; L231-V242 HydrophobicContact CD1-CG2 4.3Å; L231-V242 HydrophobicContact CD2-CG1 4.25Å; M237-V242 HydrophobicContact CB-CG2 4.21Å; M237-V242 HydrophobicContact CG-CG2 3.74Å; M237-V242 HydrophobicContact SD-CG2 3.94Å; N238-V242 WeakPolarHBondContact O-CG2 3.36Å; N238-V242 PolarHBondContact O-N 3.43Å; I239-V242 PolarHBondContact O-N 2.76Å; V242-R245 PolarHBondContact O-N 3.31Å; V242-F246 HydrophobicContact CG1-CD2 4.04Å; V242-F246 WeakPolarHBondContact O-CD2 3.43Å; V242-F246 PolarHBondContact O-N 3.27Å; V242-L251 HydrophobicContact CG1-CD2 4.15Å; V242-F257 HydrophobicContact CG1-CE1 4.25Å |
| 243 | F | 94.5 | Very high | 93.1 | Very high | 28 Ų | 28 | 66 Ų | 66 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.9 | -55.9 | 176.5 | 176.2 | -108.1 | 0 | 0 | 0 | 111.4 | I239 L240 T241 R245 F246 R247 L251 F253 L255 | I239-F243 PolarHBondContact O-N 2.84Å; L240-F243 PolarHBondContact O-N 3.21Å; T241-F243 VanDerWaalsContact C-N 3.34Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 3.04Å; F243-F246 PolarHBondContact O-N 3.48Å; F243-R247 HydrophobicContact CE2-CB 4.47Å; F243-R247 HydrophobicContact CE2-CG 4.39Å; F243-R247 HydrophobicContact CZ-CB 4.43Å; F243-R247 HydrophobicContact CZ-CG 4.1Å; F243-R247 VanDerWaalsContact O-CB 3.29Å; F243-R247 WeakPolarHBondContact O-CB 3.37Å; F243-R247 PolarHBondContact O-N 3.39Å; F243-L251 HydrophobicContact CD2-CD2 4.4Å; F243-L251 HydrophobicContact CD2-CG 4.29Å; F243-F253 HydrophobicContact CD1-CE2 4.15Å; F243-F253 HydrophobicContact CD1-CZ 4.21Å; F243-F253 AromaticContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CZ 4.04Å; F243-F253 AromaticContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CZ 4.19Å; F243-F253 AromaticContact CE2-CD2 3.84Å; F243-F253 HydrophobicContact CE2-CD2 3.84Å; F243-F253 AromaticContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CZ 4.01Å; F243-F253 HydrophobicContact CG-CE2 4.26Å; F243-F253 HydrophobicContact CG-CZ 4.14Å; F243-F253 AromaticContact CZ-CD2 3.9Å; F243-F253 HydrophobicContact CZ-CD2 3.9Å; F243-F253 AromaticContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CZ 4.09Å; F243-L255 HydrophobicContact CD2-CD2 3.86Å |
| 244 | S | 94 | Very high | 93 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | L240 T241 | L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 2.97Å; L240-S244 PolarHBondContact O-OG 3.32Å; L240-S244 VanDerWaalsContact O-OG 3.12Å; T241-S244 PolarHBondContact O-N 3.4Å |
| 245 | R | 94.1 | Very high | 92.9 | Very high | 133 Ų | 133 | 63 Ų | 63 | 50% | 0.502 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | -179.1 | -178.1 | 172.5 | -179.1 | 164.3 | 4.1 | 113 | T241 V242 F243 | T241-R245 WeakPolarHBondContact O-CB 3.5Å; T241-R245 PolarHBondContact O-N 3.38Å; V242-R245 PolarHBondContact O-N 3.31Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 3.04Å |
| 246 | F | 93 | Very high | 92.9 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -110 | 4.9 | -173.8 | -62.1 | -67.6 | 0 | 0 | 0 | 114.1 | I229 L231 L234 V242 F243 S248 S249 G250 L251 | I229-F246 HydrophobicContact CD1-CB 4.03Å; I229-F246 HydrophobicContact CD1-CD1 3.67Å; I229-F246 HydrophobicContact CD1-CE1 4.35Å; I229-F246 HydrophobicContact CD1-CG 3.97Å; I229-F246 HydrophobicContact CG2-CD1 4.05Å; I229-F246 HydrophobicContact CG2-CE1 3.71Å; I229-F246 HydrophobicContact CG2-CE2 4.34Å; I229-F246 HydrophobicContact CG2-CG 4.49Å; I229-F246 HydrophobicContact CG2-CZ 3.86Å; L231-F246 HydrophobicContact CD2-CD2 4.26Å; L231-F246 HydrophobicContact CD2-CE2 3.68Å; L231-F246 HydrophobicContact CD2-CZ 4.34Å; L234-F246 HydrophobicContact CD1-CE2 3.73Å; L234-F246 HydrophobicContact CD1-CZ 3.8Å; V242-F246 HydrophobicContact CG1-CD2 4.04Å; V242-F246 WeakPolarHBondContact O-CD2 3.43Å; V242-F246 PolarHBondContact O-N 3.27Å; F243-F246 PolarHBondContact O-N 3.48Å; F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.82Å; F246-S249 CarbonylContact O-C 3.57Å; F246-S249 WeakPolarHBondContact O-CA 3.36Å; F246-S249 WeakPolarHBondContact O-CB 3.25Å; F246-S249 PolarHBondContact O-N 3.09Å; F246-G250 PolarHBondContact O-N 2.88Å; F246-L251 HydrophobicContact CB-CB 4.13Å; F246-L251 HydrophobicContact CB-CD2 3.92Å; F246-L251 VanDerWaalsContact O-CB 3.29Å; F246-L251 WeakPolarHBondContact O-CB 3.43Å; F246-L251 PolarHBondContact O-N 2.91Å |
| 247 | R | 92.6 | Very high | 92.9 | Very high | 156 Ų | 156 | 57.3 Ų | 57.3 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -56.3 | -42.8 | 173.9 | -178 | -178.9 | 179.5 | 173.9 | 3.3 | 111.7 | F243 S249 G250 | F243-R247 HydrophobicContact CE2-CB 4.47Å; F243-R247 HydrophobicContact CE2-CG 4.39Å; F243-R247 HydrophobicContact CZ-CB 4.43Å; F243-R247 HydrophobicContact CZ-CG 4.1Å; F243-R247 VanDerWaalsContact O-CB 3.29Å; F243-R247 WeakPolarHBondContact O-CB 3.37Å; F243-R247 PolarHBondContact O-N 3.39Å; R247-S249 PolarHBondContact O-N 3Å; R247-G250 PolarHBondContact O-N 2.84Å; R247-G250 VanDerWaalsContact O-N 3.1Å |
| 248 | S | 89.9 | Confident | 92.8 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 80% | 0.797 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -67.1 | -19.6 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | F246 G250 | F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.82Å; S248-G250 VanDerWaalsContact C-N 3.33Å |
| 249 | S | 88.3 | Confident | 92.7 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -87.7 | 2.8 | 174 | -50.6 | 0 | 0 | 0 | 0 | 113.3 | A224 F246 R247 | A224-S249 WeakPolarHBondContact CB-O 3.41Å; F246-S249 CarbonylContact O-C 3.57Å; F246-S249 WeakPolarHBondContact O-CA 3.36Å; F246-S249 WeakPolarHBondContact O-CB 3.25Å; F246-S249 PolarHBondContact O-N 3.09Å; R247-S249 PolarHBondContact O-N 3Å |
| 250 | G | 89.4 | Confident | 92.6 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 16.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A224 G225 F246 R247 S248 T252 | A224-G250 CarbonylContact C-O 3.58Å; A224-G250 WeakPolarHBondContact CA-O 3.35Å; G225-G250 PolarHBondContact N-O 3.38Å; F246-G250 PolarHBondContact O-N 2.88Å; R247-G250 PolarHBondContact O-N 2.84Å; R247-G250 VanDerWaalsContact O-N 3.1Å; S248-G250 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 3.03Å |
| 251 | L | 90.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -70.8 | 114.8 | 170.4 | -172.7 | 59.7 | 0 | 0 | 0 | 109.6 | A222 R223 A224 V242 F243 F246 L255 | A222-L251 HydrophobicContact CB-CD1 4Å; A222-L251 HydrophobicContact CB-CD2 4.44Å; R223-L251 WeakPolarHBondContact O-CD1 3.2Å; A224-L251 HydrophobicContact CB-CB 4.41Å; V242-L251 HydrophobicContact CG1-CD2 4.15Å; F243-L251 HydrophobicContact CD2-CD2 4.4Å; F243-L251 HydrophobicContact CD2-CG 4.29Å; F246-L251 HydrophobicContact CB-CB 4.13Å; F246-L251 HydrophobicContact CB-CD2 3.92Å; F246-L251 VanDerWaalsContact O-CB 3.29Å; F246-L251 WeakPolarHBondContact O-CB 3.43Å; F246-L251 PolarHBondContact O-N 2.91Å; L251-L255 HydrophobicContact CD1-CD2 3.95Å; L251-L255 HydrophobicContact CD2-CD2 4.22Å; L251-L255 HydrophobicContact CG-CD2 3.85Å | ||
| 252 | T | 88.2 | Confident | 92.3 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | trans | -118 | 167.2 | -176.9 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | G250 P254 | G250-T252 PolarHBondContact O-N 3.03Å; T252-P254 CarbonylContact O-C 3.58Å | ||
| 253 | F | 86.6 | Confident | 92.1 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -89.1 | 150.3 | 169.2 | -72.9 | -78.9 | 0 | 0 | 0 | 111.6 | F243 L255 | F243-F253 HydrophobicContact CD1-CE2 4.15Å; F243-F253 HydrophobicContact CD1-CZ 4.21Å; F243-F253 AromaticContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CZ 4.04Å; F243-F253 AromaticContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CZ 4.19Å; F243-F253 AromaticContact CE2-CD2 3.84Å; F243-F253 HydrophobicContact CE2-CD2 3.84Å; F243-F253 AromaticContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CZ 4.01Å; F243-F253 HydrophobicContact CG-CE2 4.26Å; F243-F253 HydrophobicContact CG-CZ 4.14Å; F243-F253 AromaticContact CZ-CD2 3.9Å; F243-F253 HydrophobicContact CZ-CD2 3.9Å; F243-F253 AromaticContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CZ 4.09Å; F253-L255 HydrophobicContact CD1-CD2 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.84Å; F253-L255 HydrophobicContact CE1-CD1 3.91Å; F253-L255 HydrophobicContact CE1-CD2 4.27Å; F253-L255 HydrophobicContact CE1-CG 3.67Å; F253-L255 HydrophobicContact CZ-CG 4.47Å |
| 254 | P | 87.2 | Confident | 91.8 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | S | Bend | cis | -68.3 | 140.4 | -7.1 | 29.6 | -34.7 | 0 | 0 | 0 | 111.3 | T252 Q256 | T252-P254 CarbonylContact O-C 3.58Å; P254-Q256 PolarHBondContact O-N 3.26Å |
| 255 | L | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.6 | -178.9 | -65.3 | 175.7 | 0 | 0 | 0 | 110.1 | I142 F144 H145 I239 F243 L251 F253 F257 | I142-L255 HydrophobicContact CD1-CD1 4.37Å; F144-L255 HydrophobicContact CB-CB 3.84Å; F144-L255 WeakPolarHBondContact CB-O 3.34Å; H145-L255 PolarHBondContact N-O 2.9Å; H145-L255 VanDerWaalsContact N-O 3.13Å; I239-L255 HydrophobicContact CG2-CD1 3.68Å; F243-L255 HydrophobicContact CD2-CD2 3.86Å; L251-L255 HydrophobicContact CD1-CD2 3.95Å; L251-L255 HydrophobicContact CD2-CD2 4.22Å; L251-L255 HydrophobicContact CG-CD2 3.85Å; F253-L255 HydrophobicContact CD1-CD2 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.84Å; F253-L255 HydrophobicContact CE1-CD1 3.91Å; F253-L255 HydrophobicContact CE1-CD2 4.27Å; F253-L255 HydrophobicContact CE1-CG 3.67Å; F253-L255 HydrophobicContact CZ-CG 4.47Å; L255-F257 HydrophobicContact CB-CE2 3.93Å; L255-F257 HydrophobicContact CD1-CE2 4.22Å; L255-F257 HydrophobicContact CD1-CZ 4.38Å |
| 256 | Q | 94.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.5 | 174.3 | -65.6 | -173.8 | -13.4 | 0 | 0 | 109.1 | R223 P254 Y258 | R223-Q256 HydrophobicContact CB-CB 4.05Å; R223-Q256 PolarHBondContact N-O 3.45Å; P254-Q256 PolarHBondContact O-N 3.26Å; Q256-Y258 HydrophobicContact CB-CE2 4.38Å |
| 257 | F | 96.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149.3 | 170.1 | -64.5 | -82.6 | 0 | 0 | 0 | 109.8 | F144 H145 L146 L147 L183 I220 C221 A222 L231 I239 V242 L255 | F144-F257 HydrophobicContact CB-CD2 4.42Å; F144-F257 HydrophobicContact CB-CE2 4.39Å; F144-F257 HydrophobicContact CD1-CE2 4.49Å; F144-F257 AromaticContact CD2-CD2 3.49Å; F144-F257 HydrophobicContact CD2-CD2 3.49Å; F144-F257 VanDerWaalsContact CD2-CD2 3.49Å; F144-F257 AromaticContact CD2-CE2 3.84Å; F144-F257 HydrophobicContact CD2-CE2 3.84Å; F144-F257 AromaticContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CE2 4.22Å; F144-F257 HydrophobicContact CG-CD2 4.05Å; F144-F257 AromaticContact CG-CE2 3.99Å; F144-F257 HydrophobicContact CG-CE2 3.99Å; H145-F257 PolarHBondContact O-N 3.3Å; L146-F257 CarbonylContact C-O 3.57Å; L146-F257 WeakPolarHBondContact CA-O 3.5Å; L146-F257 HydrophobicContact CD1-CB 3.54Å; L147-F257 PolarHBondContact N-O 3.07Å; L183-F257 HydrophobicContact CD1-CD1 4.5Å; L183-F257 HydrophobicContact CD1-CG 4.47Å; I220-F257 HydrophobicContact CG2-CD1 4.12Å; C221-F257 CarbonylContact O-C 3.59Å; C221-F257 WeakPolarHBondContact O-CA 3.32Å; A222-F257 HydrophobicContact CB-CD1 4.02Å; A222-F257 HydrophobicContact CB-CE1 3.91Å; L231-F257 HydrophobicContact CD1-CD1 4.13Å; L231-F257 HydrophobicContact CD1-CE1 3.82Å; I239-F257 HydrophobicContact CD1-CE2 4.49Å; I239-F257 HydrophobicContact CD1-CZ 4.08Å; I239-F257 HydrophobicContact CG2-CE2 4.26Å; I239-F257 HydrophobicContact CG2-CZ 4.01Å; V242-F257 HydrophobicContact CG1-CE1 4.25Å; L255-F257 HydrophobicContact CB-CE2 3.93Å; L255-F257 HydrophobicContact CD1-CE2 4.22Å; L255-F257 HydrophobicContact CD1-CZ 4.38Å |
| 258 | Y | 96 | Very high | 86.1 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.4 | 173.8 | -72.5 | -99.3 | 0 | 0 | 0 | 109.6 | L147 P150 I220 C221 R223 L228 Q256 | L147-Y258 HydrophobicContact CB-CD1 3.99Å; L147-Y258 HydrophobicContact CB-CE1 3.93Å; L147-Y258 HydrophobicContact CD1-CE1 4.17Å; L147-Y258 HydrophobicContact CD1-CE2 4.41Å; L147-Y258 CarbonylContact O-C 3.58Å; L147-Y258 WeakPolarHBondContact O-CA 3.34Å; P150-Y258 HydrophobicContact CG-CE1 4.31Å; I220-Y258 CarbonylContact C-O 3.56Å; I220-Y258 WeakPolarHBondContact CA-O 3.48Å; C221-Y258 PolarHBondContact N-O 3.31Å; C221-Y258 PolarHBondContact O-N 2.97Å; R223-Y258 HydrophobicContact CB-CD2 4.37Å; R223-Y258 HydrophobicContact CB-CE2 3.95Å; R223-Y258 HydrophobicContact CG-CE2 4.45Å; L228-Y258 HydrophobicContact CD1-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CG 4.09Å; L228-Y258 HydrophobicContact CD2-CD2 3.45Å; L228-Y258 VanDerWaalsContact CD2-CD2 3.45Å; L228-Y258 HydrophobicContact CD2-CE2 3.8Å; L228-Y258 HydrophobicContact CD2-CG 4.07Å; Q256-Y258 HydrophobicContact CB-CE2 4.38Å |
| 259 | Y | 95.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.1 | 175.6 | 72.6 | -89.9 | 0 | 0 | 0 | 112.2 | L146 L147 P148 Y149 M152 L165 R167 L187 T219 Y261 | L146-Y259 HydrophobicContact CD1-CD1 4.16Å; L146-Y259 HydrophobicContact CG-CD1 3.88Å; L147-Y259 VanDerWaalsContact C-CD1 3.43Å; L147-Y259 WeakPolarHBondContact O-CD1 3.47Å; L147-Y259 PolarHBondContact O-N 3.41Å; P148-Y259 HydrophobicContact CB-CE1 4.11Å; P148-Y259 HydrophobicContact CB-CE2 4.44Å; P148-Y259 VanDerWaalsContact N-CE1 3.3Å; Y149-Y259 WeakPolarHBondContact CB-O 3.4Å; Y149-Y259 PolarHBondContact N-O 3.5Å; M152-Y259 HydrophobicContact CE-CD2 4.08Å; M152-Y259 HydrophobicContact CE-CE2 3.51Å; L165-Y259 PolarHBondContact O-OH 3.17Å; R167-Y259 PolarHBondContact N-OH 3.3Å; R167-Y259 VanDerWaalsContact N-OH 3.14Å; R167-Y259 PolarHBondContact O-OH 3.09Å; L187-Y259 HydrophobicContact CD1-CD1 4.28Å; L187-Y259 HydrophobicContact CD1-CD2 4.12Å; L187-Y259 HydrophobicContact CD1-CG 3.68Å; L187-Y259 HydrophobicContact CD2-CD1 4.05Å; L187-Y259 HydrophobicContact CD2-CD2 4.27Å; L187-Y259 HydrophobicContact CD2-CE1 4.23Å; L187-Y259 HydrophobicContact CD2-CE2 4.45Å; L187-Y259 HydrophobicContact CD2-CG 4.06Å; T219-Y259 CarbonylContact O-C 3.47Å; T219-Y259 VanDerWaalsContact O-CA 3.26Å; T219-Y259 WeakPolarHBondContact O-CA 3.47Å; Y259-Y261 HydrophobicContact CD2-CD2 4.33Å; Y259-Y261 HydrophobicContact CD2-CE1 4.48Å; Y259-Y261 AromaticContact CD2-CE2 3.99Å; Y259-Y261 HydrophobicContact CD2-CE2 3.99Å; Y259-Y261 AromaticContact CE2-CD2 3.98Å; Y259-Y261 HydrophobicContact CE2-CD2 3.98Å; Y259-Y261 AromaticContact CE2-CE2 3.4Å; Y259-Y261 HydrophobicContact CE2-CE2 3.4Å; Y259-Y261 AromaticContact CE2-CZ 3.73Å |
| 260 | Y | 93.6 | Very high | 82.5 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.6 | 174.3 | -171.2 | -86.8 | 0 | 0 | 0 | 110.6 | Y149 M152 I218 T219 H262 P272 | Y149-Y260 HydrophobicContact CD1-CD2 4.32Å; Y149-Y260 HydrophobicContact CG-CD2 4.11Å; M152-Y260 HydrophobicContact CB-CD2 4.03Å; M152-Y260 HydrophobicContact CB-CE2 4.02Å; M152-Y260 HydrophobicContact CG-CD2 3.92Å; M152-Y260 HydrophobicContact CG-CE2 3.89Å; M152-Y260 HydrophobicContact SD-CD2 3.95Å; M152-Y260 HydrophobicContact SD-CE2 4.46Å; M152-Y260 HydrophobicContact SD-CG 4.23Å; I218-Y260 WeakPolarHBondContact CA-O 3.31Å; T219-Y260 PolarHBondContact N-O 3.05Å; T219-Y260 PolarHBondContact O-N 3.3Å; Y260-H262 AromaticContact CD1-CE1 3.66Å; Y260-H262 AromaticContact CD1-ND1 3.85Å; Y260-H262 AromaticContact CD1-NE2 3.83Å; Y260-H262 AromaticContact CE1-CE1 3.88Å; Y260-H262 AromaticContact CE1-ND1 3.76Å; Y260-P272 HydrophobicContact CD1-CG 4.27Å; Y260-P272 HydrophobicContact CD2-CB 4.29Å; Y260-P272 HydrophobicContact CD2-CG 3.82Å; Y260-P272 HydrophobicContact CE2-CB 4.2Å; Y260-P272 HydrophobicContact CE2-CG 4.11Å; Y260-P272 HydrophobicContact CG-CG 3.91Å |
| 261 | Y | 94.3 | Very high | 80.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.6 | 173.7 | -64.1 | -61 | 0 | 0 | 0 | 110.3 | M152 L154 L165 I215 I218 Y259 | M152-Y261 HydrophobicContact CE-CD2 4.05Å; M152-Y261 HydrophobicContact CE-CE2 4.47Å; M152-Y261 HydrophobicContact SD-CD2 4.06Å; M152-Y261 PolarHBondContact SD-N 2.76Å; M152-Y261 VanDerWaalsContact SD-N 3.4Å; L154-Y261 HydrophobicContact CD1-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CD2 4.26Å; L165-Y261 HydrophobicContact CB-CE2 4.23Å; I215-Y261 HydrophobicContact CD1-CD1 3.69Å; I215-Y261 HydrophobicContact CD1-CE1 3.98Å; I215-Y261 HydrophobicContact CD1-CG 4.01Å; I215-Y261 HydrophobicContact CG2-CD1 3.83Å; I215-Y261 HydrophobicContact CG2-CG 4.48Å; I218-Y261 HydrophobicContact CD1-CD1 3.93Å; I218-Y261 HydrophobicContact CD1-CE1 3.55Å; I218-Y261 HydrophobicContact CG1-CD1 3.81Å; I218-Y261 HydrophobicContact CG1-CE1 3.98Å; Y259-Y261 HydrophobicContact CD2-CD2 4.33Å; Y259-Y261 HydrophobicContact CD2-CE1 4.48Å; Y259-Y261 AromaticContact CD2-CE2 3.99Å; Y259-Y261 HydrophobicContact CD2-CE2 3.99Å; Y259-Y261 AromaticContact CE2-CD2 3.98Å; Y259-Y261 HydrophobicContact CE2-CD2 3.98Å; Y259-Y261 AromaticContact CE2-CE2 3.4Å; Y259-Y261 HydrophobicContact CE2-CE2 3.4Å; Y259-Y261 AromaticContact CE2-CZ 3.73Å |
| 262 | H | 91.7 | Very high | 78.9 | Confident | 38 Ų | 38 | 62 Ų | 62 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.9 | 172.1 | -69 | -76.4 | 0 | 0 | 0 | 109.7 | Q216 E217 T219 Y260 | Q216-H262 PolarHBondContact N-O 2.99Å; E217-H262 HydrophobicContact CB-CB 4.37Å; E217-H262 PolarHBondContact O-N 3.45Å; T219-H262 PolarHBondContact OG1-CD2 3.5Å; T219-H262 PolarHBondContact OG1-NE2 3.15Å; Y260-H262 AromaticContact CD1-CE1 3.66Å; Y260-H262 AromaticContact CD1-ND1 3.85Å; Y260-H262 AromaticContact CD1-NE2 3.83Å; Y260-H262 AromaticContact CE1-CE1 3.88Å; Y260-H262 AromaticContact CE1-ND1 3.76Å |
| 263 | E | 90.8 | Very high | 77.1 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 136 | -179.8 | -66.9 | -172.7 | 126.2 | 0 | 0 | 111.6 | L154 S155 K156 F157 N214 G265 T266 | L154-E263 VanDerWaalsContact C-OE1 3.32Å; L154-E263 WeakPolarHBondContact CA-OE1 3.2Å; L154-E263 HydrophobicContact CD2-CG 4.18Å; S155-E263 VanDerWaalsContact N-CD 3.33Å; S155-E263 PolarHBondContact N-OE1 3.06Å; S155-E263 PolarHBondContact N-OE2 3.49Å; S155-E263 PolarHBondContact OG-OE2 2.89Å; K156-E263 VanDerWaalsContact CB-OE1 3.23Å; K156-E263 WeakPolarHBondContact CB-OE1 3.43Å; K156-E263 HydrophobicContact CG-CB 4.17Å; K156-E263 HydrophobicContact CG-CG 4.37Å; K156-E263 PolarHBondContact N-OE1 2.81Å; F157-E263 WeakPolarHBondContact CD2-OE1 3.07Å; N214-E263 CarbonylContact O-C 3.6Å; N214-E263 WeakPolarHBondContact O-CA 3.45Å; E263-G265 PolarHBondContact O-N 3.06Å; E263-T266 HydrophobicContact CB-CG2 3.75Å; E263-T266 PolarHBondContact O-N 2.8Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.33Å |
| 264 | V | 88.8 | Confident | 75.3 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.376 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.1 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | Q213 N214 Q216 T266 | Q213-V264 WeakPolarHBondContact O-CG2 3.42Å; N214-V264 PolarHBondContact O-N 2.88Å; Q216-V264 HydrophobicContact CB-CG2 3.84Å; V264-T266 VanDerWaalsContact C-N 3.31Å; V264-T266 PolarHBondContact O-N 3.01Å |
| 265 | G | 79.7 | Confident | 73.5 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E263 S267 | E263-G265 PolarHBondContact O-N 3.06Å; G265-S267 VanDerWaalsContact C-N 3.26Å; G265-S267 PolarHBondContact O-N 3.07Å |
| 266 | T | 68.1 | Low | 71.3 | Confident | 49 Ų | 49 | 58 Ų | 58 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -91.3 | 43 | 172.2 | 63.8 | 0 | 0 | 0 | 0 | 112 | E263 V264 G268 | E263-T266 HydrophobicContact CB-CG2 3.75Å; E263-T266 PolarHBondContact O-N 2.8Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.33Å; V264-T266 VanDerWaalsContact C-N 3.31Å; V264-T266 PolarHBondContact O-N 3.01Å; T266-G268 PolarHBondContact O-N 3.48Å | ||
| 267 | S | 54.9 | Low | 68.7 | Low | 118 Ų | 118 | 64 Ų | 64 | 83% | 0.825 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 7.3 | -171.3 | -47.7 | 0 | 0 | 0 | 0 | 116.1 | G265 | G265-S267 VanDerWaalsContact C-N 3.26Å; G265-S267 PolarHBondContact O-N 3.07Å |
| 268 | G | 50.5 | Low | 66 | Low | 75 Ų | 75 | 68.9 Ų | 68.9 | 77% | 0.773 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -12.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | T266 S270 | T266-G268 PolarHBondContact O-N 3.48Å; G268-S270 PolarHBondContact O-N 3.48Å |
| 269 | R | 52.5 | Low | 63.2 | Low | 194 Ų | 194 | 74.6 Ų | 74.6 | 73% | 0.732 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -90.4 | 96.5 | 170.2 | -70.1 | -171.8 | -177 | -148.5 | 0.3 | 106.7 | R271 | R269-R271 PolarHBondContact O-N 3.28Š|
| 270 | S | 50.9 | Low | 60.3 | Low | 95 Ų | 95 | 77.7 Ų | 77.7 | 66% | 0.664 | 46% | 0.459 | S | S | * | . | trans | -29.2 | 128.8 | 164.2 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | G268 P272 | G268-S270 PolarHBondContact O-N 3.48Å; S270-P272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | R | 52.1 | Low | 57.7 | Low | 152 Ų | 152 | 81.4 Ų | 81.4 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -21.9 | 120.8 | 166.4 | -178 | -175.6 | -168.9 | 175.1 | 4.5 | 109 | S230 R269 | S230-R271 PolarHBondContact OG-NH2 3.34Å; R269-R271 PolarHBondContact O-N 3.28Å |
| 272 | P | 52.1 | Low | 54.6 | Low | 23 Ų | 23 | 84.6 Ų | 84.6 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 123.6 | -161.9 | 22.1 | -34.7 | 0 | 0 | 0 | 108.7 | Y149 Y260 S270 S274 | Y149-P272 HydrophobicContact CD1-CB 4.09Å; Y149-P272 HydrophobicContact CD1-CG 4.45Å; Y149-P272 HydrophobicContact CD2-CG 4.48Å; Y149-P272 HydrophobicContact CE1-CB 3.53Å; Y149-P272 HydrophobicContact CE1-CG 4.14Å; Y149-P272 HydrophobicContact CE2-CB 4.36Å; Y149-P272 HydrophobicContact CE2-CG 4.12Å; Y149-P272 PolarHBondContact OH-O 3Å; Y149-P272 VanDerWaalsContact OH-O 3.07Å; Y260-P272 HydrophobicContact CD1-CG 4.27Å; Y260-P272 HydrophobicContact CD2-CB 4.29Å; Y260-P272 HydrophobicContact CD2-CG 3.82Å; Y260-P272 HydrophobicContact CE2-CB 4.2Å; Y260-P272 HydrophobicContact CE2-CG 4.11Å; Y260-P272 HydrophobicContact CG-CG 3.91Å; S270-P272 VanDerWaalsContact O-N 3.16Å; P272-S274 PolarHBondContact O-N 2.86Å |
| 273 | P | 51.2 | Low | 51.6 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -56 | 138.4 | 174.5 | 23.5 | -31.9 | 0 | 0 | 0 | 107.2 | Y149 P275 | Y149-P273 PolarHBondContact OH-O 3.3Å; P273-P275 VanDerWaalsContact O-N 3.16Å |
| 274 | S | 48.1 | Very low | 48.8 | Very low | 28 Ų | 28 | 105.7 Ų | 105.7 | 20% | 0.196 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -47.8 | 129.1 | -178.5 | 59.7 | 0 | 0 | 0 | 0 | 108.3 | Y149 P272 L276 V278 | Y149-S274 WeakPolarHBondContact OH-CA 3.19Å; Y149-S274 PolarHBondContact OH-N 3.1Å; P272-S274 PolarHBondContact O-N 2.86Å; S274-L276 CarbonylContact C-O 3.48Å; S274-L276 WeakPolarHBondContact CB-O 3.43Å; S274-L276 CarbonylContact O-C 3.48Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-O 3.39Å; S274-V278 WeakPolarHBondContact OG-CG2 3.4Å; S274-V278 PolarHBondContact OG-N 3.3Å |
| 275 | P | 49.2 | Very low | 46.8 | Very low | 51 Ų | 51 | 107.9 Ų | 107.9 | 33% | 0.331 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -71.6 | -7.3 | -174.4 | 19.8 | -5.7 | 0 | 0 | 0 | 110.9 | Y149 P150 L228 P273 | Y149-P275 HydrophobicContact CD1-CG 4.12Å; Y149-P275 HydrophobicContact CD2-CG 4.48Å; Y149-P275 HydrophobicContact CE1-CB 3.97Å; Y149-P275 HydrophobicContact CE1-CG 3.51Å; Y149-P275 HydrophobicContact CE2-CG 3.95Å; Y149-P275 VanDerWaalsContact CZ-CG 3.46Å; Y149-P275 WeakPolarHBondContact OH-CD 3.34Å; P150-P275 HydrophobicContact CB-CB 3.84Å; P150-P275 HydrophobicContact CB-CG 4.21Å; P150-P275 HydrophobicContact CG-CB 3.86Å; P150-P275 HydrophobicContact CG-CG 3.75Å; L228-P275 VanDerWaalsContact CD1-CD 3.42Å; L228-P275 HydrophobicContact CD1-CG 3.74Å; P273-P275 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 46.5 | Very low | 45.1 | Very low | 56 Ų | 56 | 110.4 Ų | 110.4 | 29% | 0.293 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -112.6 | 119.1 | 169.3 | -48.7 | 172.1 | 0 | 0 | 0 | 104.4 | N226 S274 V278 | N226-L276 VanDerWaalsContact C-CD1 3.44Å; N226-L276 WeakPolarHBondContact O-CB 3.29Å; N226-L276 VanDerWaalsContact O-CD1 3.26Å; N226-L276 WeakPolarHBondContact O-CD1 3.24Å; S274-L276 CarbonylContact C-O 3.48Å; S274-L276 WeakPolarHBondContact CB-O 3.43Å; S274-L276 CarbonylContact O-C 3.48Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-O 3.39Å; L276-V278 PolarHBondContact O-N 3.15Å |
| 277 | E | 40.4 | Very low | 43.8 | Very low | 179 Ų | 179 | 113.8 Ų | 113.8 | 84% | 0.836 | 64% | 0.635 | S | S | * | * | trans | -33.2 | 126.9 | -170.4 | -66.6 | 171.1 | 149 | 0 | 0 | 114.6 | M279 | E277-M279 PolarHBondContact O-N 3.36Š| ||
| 278 | V | 38.3 | Very low | 43.1 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 62% | 0.624 | 62% | 0.624 | S | S | * | * | trans | -66.3 | 104 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | S274 L276 | S274-V278 WeakPolarHBondContact OG-CG2 3.4Å; S274-V278 PolarHBondContact OG-N 3.3Å; L276-V278 PolarHBondContact O-N 3.15Å | ||
| 279 | M | 37.3 | Very low | 42.7 | Very low | 147 Ų | 147 | 116 Ų | 116 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | trans | -94.7 | 118.6 | 147.6 | -70.6 | -155.1 | -64.6 | 0 | 0 | 106.7 | E277 L281 | E277-M279 PolarHBondContact O-N 3.36Å; M279-L281 PolarHBondContact O-N 3.3Å | ||
| 280 | G | 35.3 | Very low | 42 | Very low | 65 Ų | 65 | 110.8 Ų | 110.8 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | trans | -51.6 | 134.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G282 | G280-G282 PolarHBondContact O-N 3.05Š| ||
| 281 | L | 39.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | trans | -59.9 | 93.1 | 158.9 | -69.1 | 172.2 | 0 | 0 | 0 | 107.3 | M279 F283 | M279-L281 PolarHBondContact O-N 3.3Å; L281-F283 PolarHBondContact O-N 2.85Å | ||
| 282 | G | 28.9 | Very low | 40.6 | Very low | 69 Ų | 69 | 108.8 Ų | 108.8 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | trans | -61.9 | 105.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108 | G280 K284 | G280-G282 PolarHBondContact O-N 3.05Å; G282-K284 PolarHBondContact O-N 3.25Å | ||
| 283 | F | 29.3 | Very low | 39.6 | Very low | 209 Ų | 209 | 116 Ų | 116 | 92% | 0.917 | 64% | 0.642 | S | S | * | * | trans | -58.4 | 108.6 | 160.4 | -64.6 | -88 | 0 | 0 | 0 | 106.9 | L281 | L281-F283 PolarHBondContact O-N 2.85Š| ||
| 284 | K | 31.4 | Very low | 38.5 | Very low | 281 Ų | 281 | 118.2 Ų | 118.2 | 100% | 1.222 | 65% | 0.646 | S | S | * | * | trans | -101.5 | 0 | 158 | -86.9 | -172.3 | 175.9 | 179.5 | 0 | 108.2 | G282 | G282-K284 PolarHBondContact O-N 3.25Š|
Retrieved 284 of 284 residues in 239.5 ms
(Link to these results)