| 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 | 50.9 | Low | 59.7 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 83% | 0.828 | 61% | 0.614 | S | S | * | * | 0 | -28.8 | 0 | -87.5 | -175.9 | 159.8 | 0 | 0 | 113.4 | T3 F4 R19 | M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-F4 PolarHBondContact O-N 3.4Å; M1-R19 PolarHBondContact SD-NH2 3.24Å | |||
| 2 | A | 52.2 | Low | 59.3 | Low | 74 Ų | 74 | 101.8 Ų | 101.8 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -50.4 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | F4 C5 S6 | A2-F4 PolarHBondContact O-N 3.14Å; A2-F4 VanDerWaalsContact O-N 3.1Å; A2-C5 PolarHBondContact O-N 3.33Å; A2-C5 VanDerWaalsContact O-N 3.09Å; A2-S6 PolarHBondContact O-N 3.1Å |
| 3 | T | 59.7 | Low | 59.1 | Low | 103 Ų | 103 | 104.5 Ų | 104.5 | 63% | 0.632 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.4 | -23.6 | -177.1 | 24.3 | 0 | 0 | 0 | 0 | 116.1 | M1 S6 L7 | M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-S6 WeakPolarHBondContact CA-OG 3.43Å; T3-S6 PolarHBondContact O-OG 3.34Å; T3-L7 WeakPolarHBondContact O-CD1 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å |
| 4 | F | 61.4 | Low | 58.9 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 61% | 0.614 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.4 | -42 | 175.5 | 178.7 | -103.3 | 0 | 0 | 0 | 111.4 | M1 A2 L7 V8 | M1-F4 PolarHBondContact O-N 3.4Å; A2-F4 PolarHBondContact O-N 3.14Å; A2-F4 VanDerWaalsContact O-N 3.1Å; F4-L7 PolarHBondContact O-N 3.07Å; F4-V8 HydrophobicContact CD2-CG2 4.49Å; F4-V8 HydrophobicContact CE1-CG2 4.34Å; F4-V8 HydrophobicContact CE2-CG2 4.15Å; F4-V8 HydrophobicContact CZ-CG2 4.07Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.33Å |
| 5 | C | 59.8 | Low | 58.9 | Low | 23 Ų | 23 | 107.1 Ų | 107.1 | 16% | 0.155 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -79.9 | -30.4 | -175.5 | -84.3 | 0 | 0 | 0 | 0 | 114.3 | A2 L7 V8 D9 C16 | A2-C5 PolarHBondContact O-N 3.33Å; A2-C5 VanDerWaalsContact O-N 3.09Å; C5-L7 PolarHBondContact O-N 3.34Å; C5-L7 VanDerWaalsContact O-N 3.07Å; C5-V8 PolarHBondContact O-N 3.32Å; C5-D9 PolarHBondContact O-N 3.09Å; C5-C16 HydrophobicContact CB-CB 3.77Å; C5-C16 WeakPolarHBondContact CB-SG 3.46Å; C5-C16 WeakPolarHBondContact SG-CA 2.87Å; C5-C16 WeakPolarHBondContact SG-CB 2.93Å; C5-C16 CovalentContact SG-SG 2.01Å; C5-C16 PolarHBondContact SG-SG 2.01Å |
| 6 | S | 59.4 | Low | 59.1 | Low | 96 Ų | 96 | 101.9 Ų | 101.9 | 67% | 0.671 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -8.7 | 170 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | A2 T3 | A2-S6 PolarHBondContact O-N 3.1Å; T3-S6 WeakPolarHBondContact CA-OG 3.43Å; T3-S6 PolarHBondContact O-OG 3.34Å |
| 7 | L | 64.6 | Low | 59.3 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 76% | 0.759 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -11.1 | 177.7 | -69.7 | 173.2 | 0 | 0 | 0 | 114.1 | T3 F4 C5 | T3-L7 WeakPolarHBondContact O-CD1 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å; F4-L7 PolarHBondContact O-N 3.07Å; C5-L7 PolarHBondContact O-N 3.34Å; C5-L7 VanDerWaalsContact O-N 3.07Å |
| 8 | V | 70.8 | Confident | 58.9 | Low | 68 Ų | 68 | 103.1 Ų | 103.1 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.3 | -7.6 | -168.7 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | F4 C5 L10 | F4-V8 HydrophobicContact CD2-CG2 4.49Å; F4-V8 HydrophobicContact CE1-CG2 4.34Å; F4-V8 HydrophobicContact CE2-CG2 4.15Å; F4-V8 HydrophobicContact CZ-CG2 4.07Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.33Å; C5-V8 PolarHBondContact O-N 3.32Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 HydrophobicContact CB-CG 4.39Å; V8-L10 HydrophobicContact CG1-CD2 3.77Å; V8-L10 HydrophobicContact CG1-CG 3.93Å; V8-L10 PolarHBondContact O-N 3.36Å |
| 9 | D | 62.8 | Low | 58.8 | Low | 149 Ų | 149 | 105.8 Ų | 105.8 | 80% | 0.797 | 56% | 0.563 | S | S | * | * | trans | 45.3 | 50.8 | 174.8 | -158.6 | 28 | 0 | 0 | 0 | 113.8 | C5 S11 | C5-D9 PolarHBondContact O-N 3.09Å; D9-S11 PolarHBondContact O-N 3.34Å | ||
| 10 | L | 61.4 | Low | 58.9 | Low | 61 Ų | 61 | 101.9 Ų | 101.9 | 32% | 0.319 | 54% | 0.543 | S | S | . | . | trans | -70.2 | 122.8 | -179.1 | -66.4 | 177.2 | 0 | 0 | 0 | 110.6 | V8 D12 | V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 HydrophobicContact CB-CG 4.39Å; V8-L10 HydrophobicContact CG1-CD2 3.77Å; V8-L10 HydrophobicContact CG1-CG 3.93Å; V8-L10 PolarHBondContact O-N 3.36Å; L10-D12 PolarHBondContact O-N 3.2Å | ||
| 11 | S | 53.7 | Low | 58.6 | Low | 136 Ų | 136 | 104 Ų | 104 | 95% | 0.951 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -63.3 | -21.4 | 177.8 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | D9 | D9-S11 PolarHBondContact O-N 3.34Š|
| 12 | D | 54.3 | Low | 58.9 | Low | 58 Ų | 58 | 104.9 Ų | 104.9 | 31% | 0.31 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -108.9 | 95.4 | 163 | -179 | -12.4 | 0 | 0 | 0 | 108.6 | L10 D14 Y15 | L10-D12 PolarHBondContact O-N 3.2Å; D12-D14 PolarHBondContact O-N 3.16Å; D12-D14 WeakPolarHBondContact OD1-CB 3.23Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D12-Y15 HydrophobicContact CB-CD2 3.94Å; D12-Y15 HydrophobicContact CB-CE2 4.41Å; D12-Y15 PolarHBondContact O-N 3.31Å; D12-Y15 VanDerWaalsContact OD2-CD2 3.3Å; D12-Y15 WeakPolarHBondContact OD2-CD2 3.28Å; D12-Y15 VanDerWaalsContact OD2-CE2 3.28Å; D12-Y15 WeakPolarHBondContact OD2-CE2 3.38Å |
| 13 | Q | 57.7 | Low | 59.3 | Low | 137 Ų | 137 | 102.9 Ų | 102.9 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -67.6 | -12.8 | 179.3 | -67.9 | -167.2 | -2.3 | 0 | 0 | 113.3 | Y15 C16 | Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 2.81Å; Q13-C16 WeakPolarHBondContact O-CB 3.09Å; Q13-C16 PolarHBondContact O-N 3.18Å; Q13-C16 PolarHBondContact O-SG 3.13Å |
| 14 | D | 55.7 | Low | 59.3 | Low | 76 Ų | 76 | 103.2 Ų | 103.2 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -78 | -17.3 | 179.8 | -72.8 | -20.6 | 0 | 0 | 0 | 112.7 | D12 C16 Y17 R439 | D12-D14 PolarHBondContact O-N 3.16Å; D12-D14 WeakPolarHBondContact OD1-CB 3.23Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D14-C16 PolarHBondContact O-N 3.25Å; D14-Y17 PolarHBondContact O-N 3.19Å; D14-R439 IonicContact OD2-CZ 3.18Å; D14-R439 IonicContact OD2-NE 3.59Å; D14-R439 IonicContact OD2-NH1 3.95Å; D14-R439 IonicContact OD2-NH2 2.65Å; D14-R439 PolarHBondContact OD2-NH2 3.19Å |
| 15 | Y | 58.3 | Low | 59.1 | Low | 173 Ų | 173 | 102.6 Ų | 102.6 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -61.1 | -19.7 | 168.2 | -89.3 | -92.8 | 0 | 0 | 0 | 112.7 | D12 Q13 Y17 | D12-Y15 HydrophobicContact CB-CD2 3.94Å; D12-Y15 HydrophobicContact CB-CE2 4.41Å; D12-Y15 PolarHBondContact O-N 3.31Å; D12-Y15 VanDerWaalsContact OD2-CD2 3.3Å; D12-Y15 WeakPolarHBondContact OD2-CD2 3.28Å; D12-Y15 VanDerWaalsContact OD2-CE2 3.28Å; D12-Y15 WeakPolarHBondContact OD2-CE2 3.38Å; Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 2.81Å; Y15-Y17 PolarHBondContact O-N 3.22Å |
| 16 | C | 62.7 | Low | 58.7 | Low | 24 Ų | 24 | 105.3 Ų | 105.3 | 16% | 0.162 | 55% | 0.552 | C | S | . | * | G | 310 helix | trans | -68.4 | -14.2 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 113.8 | C5 Q13 D14 P18 | C5-C16 HydrophobicContact CB-CB 3.77Å; C5-C16 WeakPolarHBondContact CB-SG 3.46Å; C5-C16 WeakPolarHBondContact SG-CA 2.87Å; C5-C16 WeakPolarHBondContact SG-CB 2.93Å; C5-C16 CovalentContact SG-SG 2.01Å; C5-C16 PolarHBondContact SG-SG 2.01Å; Q13-C16 WeakPolarHBondContact O-CB 3.09Å; Q13-C16 PolarHBondContact O-N 3.18Å; Q13-C16 PolarHBondContact O-SG 3.13Å; D14-C16 PolarHBondContact O-N 3.25Å; C16-P18 VanDerWaalsContact O-CD 3.23Å; C16-P18 WeakPolarHBondContact O-CD 3.11Å |
| 17 | Y | 62.5 | Low | 58.5 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 44% | 0.443 | 53% | 0.534 | S | S | . | . | trans | -120.2 | 62.7 | -175.8 | -53.2 | -84 | 0 | 0 | 0 | 111.8 | D14 Y15 R19 V20 L26 | D14-Y17 PolarHBondContact O-N 3.19Å; Y15-Y17 PolarHBondContact O-N 3.22Å; Y17-R19 PolarHBondContact O-N 2.89Å; Y17-V20 VanDerWaalsContact CB-CG2 3.5Å; Y17-V20 VanDerWaalsContact O-CG2 3.28Å; Y17-V20 WeakPolarHBondContact O-CG2 3.49Å; Y17-V20 PolarHBondContact O-N 2.88Å; Y17-L26 HydrophobicContact CD1-CD1 4.06Å; Y17-L26 HydrophobicContact CG-CD1 4.45Å | ||
| 18 | P | 52.4 | Low | 58 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 72% | 0.721 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 5.6 | 179.6 | 31.1 | -37.9 | 0 | 0 | 0 | 114.2 | C16 | C16-P18 VanDerWaalsContact O-CD 3.23Å; C16-P18 WeakPolarHBondContact O-CD 3.11Å |
| 19 | R | 57.5 | Low | 57 | Low | 155 Ų | 155 | 102 Ų | 102 | 59% | 0.585 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 16.6 | 173.6 | -73.9 | -170.5 | -80.6 | 178.7 | -6.7 | 113.7 | M1 Y17 L21 K22 S23 | M1-R19 PolarHBondContact SD-NH2 3.24Å; Y17-R19 PolarHBondContact O-N 2.89Å; R19-L21 VanDerWaalsContact C-N 3.31Å; R19-L21 PolarHBondContact O-N 2.93Å; R19-K22 CarbonylContact O-C 3.53Å; R19-K22 WeakPolarHBondContact O-CA 3.22Å; R19-K22 PolarHBondContact O-N 2.96Å; R19-S23 PolarHBondContact O-N 3.22Å; R19-S23 VanDerWaalsContact O-N 3.16Å |
| 20 | V | 59.9 | Low | 56.4 | Low | 28 Ų | 28 | 99.2 Ų | 99.2 | 17% | 0.17 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -41.5 | -58.9 | 170.4 | 160.9 | 0 | 0 | 0 | 0 | 110.6 | Y17 K22 S23 L26 N27 L30 | Y17-V20 VanDerWaalsContact CB-CG2 3.5Å; Y17-V20 VanDerWaalsContact O-CG2 3.28Å; Y17-V20 WeakPolarHBondContact O-CG2 3.49Å; Y17-V20 PolarHBondContact O-N 2.88Å; V20-K22 PolarHBondContact O-N 3.15Å; V20-S23 PolarHBondContact O-N 3.26Å; V20-L26 HydrophobicContact CG2-CB 4.42Å; V20-L26 HydrophobicContact CG2-CD1 4.16Å; V20-N27 PolarHBondContact O-OD1 3.46Å; V20-L30 HydrophobicContact CG1-CD1 3.29Å; V20-L30 HydrophobicContact CG1-CD2 4.27Å; V20-L30 HydrophobicContact CG1-CG 4.33Å |
| 21 | L | 53.3 | Low | 55.7 | Low | 147 Ų | 147 | 98.3 Ų | 98.3 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -59.3 | -5.5 | -179.2 | -63.3 | 179.6 | 0 | 0 | 0 | 115.8 | R19 N27 L30 | R19-L21 VanDerWaalsContact C-N 3.31Å; R19-L21 PolarHBondContact O-N 2.93Å; L21-N27 VanDerWaalsContact C-ND2 3.31Å; L21-N27 WeakPolarHBondContact CA-OD1 3.36Å; L21-N27 PolarHBondContact O-ND2 2.96Å; L21-N27 VanDerWaalsContact O-ND2 3.15Å; L21-L30 HydrophobicContact CD2-CD1 4.21Å |
| 22 | K | 57.5 | Low | 55.4 | Low | 185 Ų | 185 | 97.7 Ų | 97.7 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -120.6 | -2.4 | 177.4 | -64.2 | -170.1 | 176.5 | -172.5 | 0 | 114.1 | R19 V20 | R19-K22 CarbonylContact O-C 3.53Å; R19-K22 WeakPolarHBondContact O-CA 3.22Å; R19-K22 PolarHBondContact O-N 2.96Å; V20-K22 PolarHBondContact O-N 3.15Å |
| 23 | S | 59.3 | Low | 55.4 | Low | 33 Ų | 33 | 95.7 Ų | 95.7 | 23% | 0.231 | 49% | 0.493 | C | S | . | . | trans | -100.5 | 119.4 | 174.5 | 166.8 | 0 | 0 | 0 | 0 | 108.3 | R19 V20 D25 L26 N27 | R19-S23 PolarHBondContact O-N 3.22Å; R19-S23 VanDerWaalsContact O-N 3.16Å; V20-S23 PolarHBondContact O-N 3.26Å; S23-D25 PolarHBondContact O-N 2.98Å; S23-L26 PolarHBondContact O-N 3.23Å; S23-L26 PolarHBondContact OG-N 2.88Å; S23-N27 WeakPolarHBondContact O-CB 3.22Å; S23-N27 PolarHBondContact O-N 2.94Å; S23-N27 PolarHBondContact O-ND2 2.94Å | ||
| 24 | T | 59.4 | Low | 55.5 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 67% | 0.669 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -52.2 | -42.1 | 175 | 38.3 | 0 | 0 | 0 | 0 | 112 | N27 S28 | T24-N27 PolarHBondContact O-N 2.95Å; T24-S28 PolarHBondContact O-N 3.27Å |
| 25 | D | 57.1 | Low | 55.8 | Low | 127 Ų | 127 | 93.6 Ų | 93.6 | 68% | 0.679 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75.5 | -38.2 | -169 | -38.8 | -23.2 | 0 | 0 | 0 | 110.2 | S23 S28 | S23-D25 PolarHBondContact O-N 2.98Å; D25-S28 PolarHBondContact O-OG 3.44Å |
| 26 | L | 53.3 | Low | 55.9 | Low | 80 Ų | 80 | 86.7 Ų | 86.7 | 42% | 0.419 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -79.3 | -19.2 | 171.6 | -60.8 | 175.3 | 0 | 0 | 0 | 113.5 | Y17 V20 S23 L30 | Y17-L26 HydrophobicContact CD1-CD1 4.06Å; Y17-L26 HydrophobicContact CG-CD1 4.45Å; V20-L26 HydrophobicContact CG2-CB 4.42Å; V20-L26 HydrophobicContact CG2-CD1 4.16Å; S23-L26 PolarHBondContact O-N 3.23Å; S23-L26 PolarHBondContact OG-N 2.88Å; L26-L30 WeakPolarHBondContact O-CG 3.3Å |
| 27 | N | 55.1 | Low | 55.7 | Low | 52 Ų | 52 | 92.2 Ų | 92.2 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -84.5 | -27.1 | 178.2 | -85.7 | -24.3 | 0 | 0 | 0 | 113.8 | V20 L21 S23 T24 N29 L30 | V20-N27 PolarHBondContact O-OD1 3.46Å; L21-N27 VanDerWaalsContact C-ND2 3.31Å; L21-N27 WeakPolarHBondContact CA-OD1 3.36Å; L21-N27 PolarHBondContact O-ND2 2.96Å; L21-N27 VanDerWaalsContact O-ND2 3.15Å; S23-N27 WeakPolarHBondContact O-CB 3.22Å; S23-N27 PolarHBondContact O-N 2.94Å; S23-N27 PolarHBondContact O-ND2 2.94Å; T24-N27 PolarHBondContact O-N 2.95Å; N27-N29 PolarHBondContact O-N 3.41Å; N27-L30 HydrophobicContact CB-CD1 4.46Å; N27-L30 PolarHBondContact O-N 2.83Å; N27-L30 VanDerWaalsContact OD1-CD1 3.22Å; N27-L30 WeakPolarHBondContact OD1-CD1 3.28Å |
| 28 | S | 52.9 | Low | 55.7 | Low | 74 Ų | 74 | 95.9 Ų | 95.9 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -36.5 | -167 | 54 | 0 | 0 | 0 | 0 | 115.1 | T24 D25 | T24-S28 PolarHBondContact O-N 3.27Å; D25-S28 PolarHBondContact O-OG 3.44Å |
| 29 | N | 50.3 | Low | 56.7 | Low | 114 Ų | 114 | 92.1 Ų | 92.1 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 8.2 | -176.3 | -56.6 | -22.9 | 0 | 0 | 0 | 113.6 | N27 Q32 | N27-N29 PolarHBondContact O-N 3.41Å; N29-Q32 PolarHBondContact O-N 3.24Å |
| 30 | L | 49.6 | Very low | 58 | Low | 91 Ų | 91 | 85.2 Ų | 85.2 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 131.4 | 178.4 | -63.5 | 176.6 | 0 | 0 | 0 | 111 | V20 L21 L26 N27 Q32 | V20-L30 HydrophobicContact CG1-CD1 3.29Å; V20-L30 HydrophobicContact CG1-CD2 4.27Å; V20-L30 HydrophobicContact CG1-CG 4.33Å; L21-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 WeakPolarHBondContact O-CG 3.3Å; N27-L30 HydrophobicContact CB-CD1 4.46Å; N27-L30 PolarHBondContact O-N 2.83Å; N27-L30 VanDerWaalsContact OD1-CD1 3.22Å; N27-L30 WeakPolarHBondContact OD1-CD1 3.28Å; L30-Q32 VanDerWaalsContact C-N 3.32Å |
| 31 | G | 47.3 | Very low | 59.4 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 25.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N349 | G31-N349 PolarHBondContact O-ND2 3.03Å; G31-N349 PolarHBondContact O-OD1 3.34Å |
| 32 | Q | 47.7 | Very low | 61.1 | Low | 123 Ų | 123 | 78.8 Ų | 78.8 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -99.4 | 138.6 | 149.9 | -64.1 | -176.6 | 1 | 0 | 0 | 107.4 | N29 L30 V34 | N29-Q32 PolarHBondContact O-N 3.24Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-V34 PolarHBondContact O-N 2.94Å |
| 33 | V | 54.2 | Low | 62.8 | Low | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | trans | -64.5 | 136.3 | 165.7 | -173.2 | 0 | 0 | 0 | 0 | 107 | E35 L41 Q42 N349 L350 | V33-E35 PolarHBondContact O-N 3.36Å; V33-L41 HydrophobicContact CB-CD1 3.59Å; V33-L41 HydrophobicContact CB-CG 4.44Å; V33-L41 HydrophobicContact CG1-CD1 3.63Å; V33-L41 HydrophobicContact CG1-CG 3.98Å; V33-L41 HydrophobicContact CG2-CD1 3.93Å; V33-Q42 VanDerWaalsContact CG1-O 3.22Å; V33-Q42 WeakPolarHBondContact CG1-O 3.19Å; V33-N349 HydrophobicContact CG2-CB 3.49Å; V33-N349 VanDerWaalsContact CG2-CB 3.49Å; V33-L350 HydrophobicContact CG2-CD2 4.21Å | ||
| 34 | V | 58.7 | Low | 64.5 | Low | 83 Ų | 83 | 68.4 Ų | 68.4 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | trans | -69.4 | 99.2 | 175 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | Q32 Q42 | Q32-V34 PolarHBondContact O-N 2.94Å; V34-Q42 WeakPolarHBondContact O-CB 3.47Å; V34-Q42 WeakPolarHBondContact O-CG 3.37Å; V34-Q42 PolarHBondContact O-N 3.12Å | ||
| 35 | E | 63.4 | Low | 66.2 | Low | 85 Ų | 85 | 63.2 Ų | 63.2 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 133.2 | 157.9 | -73.8 | -171.4 | 179.1 | 0 | 0 | 108.1 | V33 C40 K379 | V33-E35 PolarHBondContact O-N 3.36Å; E35-C40 CarbonylContact C-O 3.5Å; E35-C40 WeakPolarHBondContact CA-O 3.46Å; E35-K379 IonicContact OE1-NZ 2.68Å; E35-K379 PolarHBondContact OE1-NZ 3.22Å |
| 36 | D | 60.4 | Low | 67.9 | Low | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | trans | -66.2 | 170.7 | 172.2 | 95.5 | -39.1 | 0 | 0 | 0 | 110.8 | K38 G39 C40 Q42 | D36-K38 PolarHBondContact O-N 3.01Å; D36-K38 WeakPolarHBondContact OD1-CA 3.27Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.3Å; D36-K38 PolarHBondContact OD1-N 3.05Å; D36-G39 PolarHBondContact O-N 2.98Å; D36-G39 PolarHBondContact OD1-N 3Å; D36-C40 HydrophobicContact CB-CB 4.49Å; D36-C40 PolarHBondContact N-O 3.29Å; D36-C40 VanDerWaalsContact OD1-CB 3.23Å; D36-C40 WeakPolarHBondContact OD1-CB 3.41Å; D36-C40 PolarHBondContact OD1-N 2.65Å; D36-Q42 HydrophobicContact CB-CG 4.43Å | ||
| 37 | P | 57 | Low | 70 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 92% | 0.916 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 6 | 177.3 | -25.2 | 36 | 0 | 0 | 0 | 116.2 | ||
| 38 | K | 63.2 | Low | 71.9 | Confident | 189 Ų | 189 | 54 Ų | 54 | 82% | 0.822 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 2.9 | 174.5 | -50.9 | 168.5 | -174.3 | 163.6 | 0 | 112.4 | D36 | D36-K38 PolarHBondContact O-N 3.01Å; D36-K38 WeakPolarHBondContact OD1-CA 3.27Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.3Å; D36-K38 PolarHBondContact OD1-N 3.05Å |
| 39 | G | 73.6 | Confident | 74 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 86.6 | 15.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D36 | D36-G39 PolarHBondContact O-N 2.98Å; D36-G39 PolarHBondContact OD1-N 3Å |
| 40 | C | 84.6 | Confident | 76.2 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -90.2 | 127.9 | -176.3 | -158 | 0 | 0 | 0 | 0 | 112.4 | E35 D36 Q42 S380 I381 C382 | E35-C40 CarbonylContact C-O 3.5Å; E35-C40 WeakPolarHBondContact CA-O 3.46Å; D36-C40 HydrophobicContact CB-CB 4.49Å; D36-C40 PolarHBondContact N-O 3.29Å; D36-C40 VanDerWaalsContact OD1-CB 3.23Å; D36-C40 WeakPolarHBondContact OD1-CB 3.41Å; D36-C40 PolarHBondContact OD1-N 2.65Å; C40-Q42 PolarHBondContact O-N 2.83Å; C40-Q42 VanDerWaalsContact O-N 3.17Å; C40-S380 PolarHBondContact SG-O 2.97Å; C40-S380 VanDerWaalsContact SG-O 3.36Å; C40-I381 VanDerWaalsContact SG-C 3.51Å; C40-C382 HydrophobicContact CB-CB 3.9Å; C40-C382 WeakPolarHBondContact CB-SG 3.49Å; C40-C382 WeakPolarHBondContact SG-CB 3.4Å; C40-C382 PolarHBondContact SG-N 2.75Å; C40-C382 CovalentContact SG-SG 2.03Å; C40-C382 PolarHBondContact SG-SG 3.12Å | ||
| 41 | L | 88.8 | Confident | 78.4 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 106.6 | -177.2 | -168 | 77.2 | 0 | 0 | 0 | 110.9 | V33 L350 L353 S380 I381 C382 | V33-L41 HydrophobicContact CB-CD1 3.59Å; V33-L41 HydrophobicContact CB-CG 4.44Å; V33-L41 HydrophobicContact CG1-CD1 3.63Å; V33-L41 HydrophobicContact CG1-CG 3.98Å; V33-L41 HydrophobicContact CG2-CD1 3.93Å; L41-L350 HydrophobicContact CD2-CD2 3.89Å; L41-L353 HydrophobicContact CD2-CD1 3.8Å; L41-S380 PolarHBondContact N-O 3.07Å; L41-I381 HydrophobicContact CB-CG1 4.49Å; L41-I381 HydrophobicContact CD2-CG1 4.2Å; L41-C382 PolarHBondContact O-N 3.47Å |
| 42 | Q | 90.1 | Very high | 80.8 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.9 | -179.1 | -68 | -170.7 | 29.1 | 0 | 0 | 112.6 | V33 V34 D36 C40 C382 T388 P436 | V33-Q42 VanDerWaalsContact CG1-O 3.22Å; V33-Q42 WeakPolarHBondContact CG1-O 3.19Å; V34-Q42 WeakPolarHBondContact O-CB 3.47Å; V34-Q42 WeakPolarHBondContact O-CG 3.37Å; V34-Q42 PolarHBondContact O-N 3.12Å; D36-Q42 HydrophobicContact CB-CG 4.43Å; C40-Q42 PolarHBondContact O-N 2.83Å; C40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-C382 WeakPolarHBondContact CA-O 3.39Å; Q42-T388 PolarHBondContact OE1-OG1 3.33Å; Q42-P436 VanDerWaalsContact O-CD 3.31Å; Q42-P436 WeakPolarHBondContact O-CD 3.45Å |
| 43 | V | 93.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.6 | 170.3 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | I381 C382 M383 G384 F433 | V43-I381 HydrophobicContact CB-CG2 4.47Å; V43-I381 HydrophobicContact CG1-CG2 4.11Å; V43-I381 HydrophobicContact CG2-CG2 3.56Å; V43-C382 PolarHBondContact N-O 2.89Å; V43-M383 HydrophobicContact CG2-CE 3.55Å; V43-M383 CarbonylContact O-C 3.53Å; V43-M383 WeakPolarHBondContact O-CA 3.38Å; V43-G384 PolarHBondContact O-N 3.28Å; V43-F433 HydrophobicContact CB-CD1 4.45Å; V43-F433 HydrophobicContact CG2-CD1 4.15Å; V43-F433 HydrophobicContact CG2-CE1 4.29Å |
| 44 | C | 93.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 168.1 | 166.2 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | C389 L394 M434 | C44-C389 HydrophobicContact CB-CB 3.83Å; C44-C389 WeakPolarHBondContact CB-SG 3.36Å; C44-C389 WeakPolarHBondContact SG-CA 3.05Å; C44-C389 WeakPolarHBondContact SG-CB 3.04Å; C44-C389 CovalentContact SG-SG 2.03Å; C44-C389 PolarHBondContact SG-SG 2.81Å; C44-L394 HydrophobicContact CB-CB 4.26Å; C44-L394 HydrophobicContact CB-CD1 3.92Å; C44-L394 HydrophobicContact CB-CD2 4.23Å; C44-L394 HydrophobicContact CB-CG 4.37Å; C44-M434 HydrophobicContact CB-CB 4.42Å; C44-M434 PolarHBondContact N-O 2.91Å; C44-M434 WeakPolarHBondContact O-CA 3.28Å; C44-M434 WeakPolarHBondContact O-CB 3.13Å; C44-M434 PolarHBondContact O-N 2.78Å; C44-M434 VanDerWaalsContact O-O 3.11Å |
| 45 | L | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 159.4 | -178 | -57.7 | 177.5 | 0 | 0 | 0 | 111.7 | M383 L394 I395 H398 F415 F431 K432 F433 | L45-M383 HydrophobicContact CD1-CE 4.28Å; L45-M383 HydrophobicContact CD1-SD 3.7Å; L45-M383 HydrophobicContact CG-CE 4.44Å; L45-M383 HydrophobicContact CG-SD 3.95Å; L45-L394 CarbonylContact O-C 3.34Å; L45-L394 WeakPolarHBondContact O-CA 3.32Å; L45-I395 HydrophobicContact CB-CG1 3.95Å; L45-I395 PolarHBondContact N-O 2.89Å; L45-I395 PolarHBondContact O-N 3.4Å; L45-H398 HydrophobicContact CD1-CB 3.81Å; L45-F415 HydrophobicContact CD1-CE1 3.74Å; L45-F415 HydrophobicContact CD1-CZ 3.66Å; L45-F415 HydrophobicContact CD2-CE1 3.66Å; L45-F415 HydrophobicContact CD2-CZ 4.43Å; L45-F415 HydrophobicContact CG-CE1 4.37Å; L45-F431 HydrophobicContact CB-CB 4.41Å; L45-F431 HydrophobicContact CB-CD1 4.39Å; L45-F431 HydrophobicContact CD1-CB 4.24Å; L45-F431 HydrophobicContact CD1-CD1 4.27Å; L45-F431 HydrophobicContact CD1-CG 4.31Å; L45-F431 HydrophobicContact CD2-CB 4.46Å; L45-K432 WeakPolarHBondContact CA-O 3.19Å; L45-F433 HydrophobicContact CD2-CD1 4.27Å |
| 46 | T | 94.3 | Very high | 88.6 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.3 | 166.9 | -66.7 | 0 | 0 | 0 | 0 | 108.8 | G393 F431 K432 | T46-G393 WeakPolarHBondContact CB-O 3.38Å; T46-G393 PolarHBondContact OG1-O 3.2Å; T46-F431 WeakPolarHBondContact O-CA 3.46Å; T46-K432 PolarHBondContact N-O 3Å; T46-K432 PolarHBondContact O-N 3.45Å |
| 47 | E | 95.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 140.7 | 169.5 | -61.6 | -172.5 | -158 | 0 | 0 | 110.5 | N50 I395 T429 F431 F461 P463 S464 E465 | E47-N50 PolarHBondContact OE2-ND2 2.98Å; E47-I395 HydrophobicContact CG-CD1 4.23Å; E47-T429 HydrophobicContact CB-CG2 4.25Å; E47-T429 HydrophobicContact CG-CG2 3.83Å; E47-F431 HydrophobicContact CG-CD1 4.38Å; E47-F431 HydrophobicContact CG-CE1 4.1Å; E47-F461 HydrophobicContact CB-CE1 4.08Å; E47-F461 HydrophobicContact CB-CZ 3.69Å; E47-F461 VanDerWaalsContact O-CE1 3.24Å; E47-F461 WeakPolarHBondContact O-CE1 3.44Å; E47-P463 HydrophobicContact CB-CB 4.48Å; E47-P463 WeakPolarHBondContact OE2-CA 3.32Å; E47-S464 WeakPolarHBondContact OE1-CB 3.22Å; E47-S464 PolarHBondContact OE1-N 3.2Å; E47-S464 PolarHBondContact OE2-N 3.03Å; E47-E465 PolarHBondContact OE1-N 2.85Å |
| 48 | V | 95.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 26.6 Ų | 26.6 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | -24.4 | 177.6 | 180 | 0 | 0 | 0 | 0 | 112.5 | M68 Y414 V430 K432 | V48-M68 HydrophobicContact CG1-CE 3.72Å; V48-M68 HydrophobicContact CG1-SD 4.25Å; V48-Y414 HydrophobicContact CB-CE1 4.34Å; V48-Y414 HydrophobicContact CG1-CE1 4.23Å; V48-Y414 HydrophobicContact CG2-CD1 4.5Å; V48-Y414 HydrophobicContact CG2-CE1 3.99Å; V48-V430 PolarHBondContact N-O 2.74Å; V48-K432 HydrophobicContact CG2-CB 3.95Å |
| 49 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 146.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L52 I70 Y80 T429 V430 | A49-L52 HydrophobicContact CB-CD1 3.82Å; A49-I70 HydrophobicContact CB-CD1 3.7Å; A49-Y80 HydrophobicContact CB-CD1 4.21Å; A49-Y80 HydrophobicContact CB-CE1 3.5Å; A49-Y80 HydrophobicContact CB-CE2 4.26Å; A49-T429 CarbonylContact O-C 3.54Å; A49-T429 VanDerWaalsContact O-CA 3.27Å; A49-T429 WeakPolarHBondContact O-CA 3.39Å; A49-T429 WeakPolarHBondContact O-CG2 3.2Å; A49-V430 HydrophobicContact CB-CB 4.23Å; A49-V430 HydrophobicContact CB-CG2 4.14Å; A49-V430 PolarHBondContact O-N 2.81Å |
| 50 | N | 96.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 19.1 Ų | 19.1 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 177.4 | 178.6 | 63.5 | 33.1 | 0 | 0 | 0 | 111.2 | E47 L52 G428 T429 F461 I462 S464 | E47-N50 PolarHBondContact OE2-ND2 2.98Å; N50-L52 PolarHBondContact O-N 3.46Å; N50-G428 CarbonylContact C-O 3.5Å; N50-G428 WeakPolarHBondContact CA-O 3.2Å; N50-T429 HydrophobicContact CB-CG2 4.19Å; N50-F461 HydrophobicContact CB-CE2 4.3Å; N50-F461 WeakPolarHBondContact ND2-CE2 3.2Å; N50-I462 PolarHBondContact ND2-O 3.43Å; N50-S464 PolarHBondContact ND2-N 2.72Å; N50-S464 PolarHBondContact ND2-OG 3.35Å |
| 51 | S | 95.8 | Very high | 95.8 | Very high | 79 Ų | 79 | 18.8 Ų | 18.8 | 55% | 0.552 | 10% | 0.098 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 60.9 | 25.4 | -175.4 | -51.9 | 0 | 0 | 0 | 0 | 114.8 | P426 G428 | S51-P426 WeakPolarHBondContact CA-O 3.28Å; S51-G428 PolarHBondContact N-O 3.15Å |
| 52 | L | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 148.8 | -177.1 | -68.2 | 160.7 | 0 | 0 | 0 | 112.1 | A49 N50 N54 P55 I70 E72 P426 T427 G428 V430 | A49-L52 HydrophobicContact CB-CD1 3.82Å; N50-L52 PolarHBondContact O-N 3.46Å; L52-N54 PolarHBondContact O-N 3.47Å; L52-P55 HydrophobicContact CB-CB 3.97Å; L52-P55 HydrophobicContact CB-CG 3.79Å; L52-P55 HydrophobicContact CD1-CB 4Å; L52-P55 HydrophobicContact CD1-CG 4.05Å; L52-I70 HydrophobicContact CD1-CG2 3.85Å; L52-I70 HydrophobicContact CD2-CG2 4.2Å; L52-E72 WeakPolarHBondContact CA-OE1 3.46Å; L52-E72 HydrophobicContact CD2-CG 4.22Å; L52-P426 CarbonylContact O-C 3.52Å; L52-P426 WeakPolarHBondContact O-CA 3.03Å; L52-T427 PolarHBondContact O-N 2.94Å; L52-G428 PolarHBondContact N-O 3.35Å; L52-G428 WeakPolarHBondContact O-CA 3.37Å; L52-G428 PolarHBondContact O-N 3.07Å; L52-V430 HydrophobicContact CD1-CG2 3.73Å |
| 53 | R | 96.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 19.7 Ų | 19.7 | 38% | 0.377 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -90.6 | 95 | 179.6 | -64.2 | -170.3 | 177.3 | -146 | -2 | 111.9 | E72 Q73 L74 S425 P426 | R53-E72 HydrophobicContact CB-CB 4.31Å; R53-E72 HydrophobicContact CB-CG 4.26Å; R53-E72 PolarHBondContact N-OE1 3.22Å; R53-E72 WeakPolarHBondContact O-CA 3.41Å; R53-E72 VanDerWaalsContact O-CB 3.26Å; R53-E72 WeakPolarHBondContact O-CB 3.25Å; R53-Q73 PolarHBondContact O-N 2.93Å; R53-L74 HydrophobicContact CB-CD1 4.37Å; R53-S425 WeakPolarHBondContact CA-O 3.44Å; R53-P426 HydrophobicContact CG-CB 4.18Å |
| 54 | N | 96.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 38.1 | 69.2 | -174.7 | -151.4 | 40.8 | 0 | 0 | 0 | 112.8 | L52 V56 Q73 I403 | L52-N54 PolarHBondContact O-N 3.47Å; N54-V56 PolarHBondContact O-N 3.27Å; N54-Q73 HydrophobicContact CB-CB 4.26Å; N54-Q73 PolarHBondContact ND2-OE1 3.14Å; N54-Q73 PolarHBondContact O-N 3.32Å; N54-Q73 VanDerWaalsContact O-N 3.15Å; N54-I403 VanDerWaalsContact OD1-CD1 3.22Å; N54-I403 WeakPolarHBondContact OD1-CD1 3.23Å |
| 55 | P | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 113.5 | -173.6 | 30.3 | -36.6 | 0 | 0 | 0 | 110.8 | L52 I70 A71 I403 L416 | L52-P55 HydrophobicContact CB-CB 3.97Å; L52-P55 HydrophobicContact CB-CG 3.79Å; L52-P55 HydrophobicContact CD1-CB 4Å; L52-P55 HydrophobicContact CD1-CG 4.05Å; P55-I70 HydrophobicContact CB-CG2 4.18Å; P55-A71 CarbonylContact C-O 3.57Å; P55-A71 VanDerWaalsContact CA-O 3.31Å; P55-A71 WeakPolarHBondContact CA-O 3.38Å; P55-I403 HydrophobicContact CG-CD1 4.08Å; P55-I403 WeakPolarHBondContact O-CD1 3.22Å; P55-I403 WeakPolarHBondContact O-CG2 3.47Å; P55-L416 HydrophobicContact CB-CD2 4.13Å; P55-L416 HydrophobicContact CG-CB 4.47Å; P55-L416 WeakPolarHBondContact O-CD2 3.43Å |
| 56 | V | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -20.8 | -172.7 | -71.8 | 0 | 0 | 0 | 0 | 113.9 | N54 A71 Q73 F110 W258 R259 I403 S404 | N54-V56 PolarHBondContact O-N 3.27Å; V56-A71 HydrophobicContact CG2-CB 4.39Å; V56-A71 PolarHBondContact N-O 3.43Å; V56-Q73 HydrophobicContact CG1-CB 3.94Å; V56-Q73 HydrophobicContact CG1-CG 4.35Å; V56-F110 HydrophobicContact CG2-CD1 4.47Å; V56-F110 VanDerWaalsContact CG2-O 3.32Å; V56-F110 WeakPolarHBondContact CG2-O 3.34Å; V56-W258 HydrophobicContact CB-CH2 4.35Å; V56-W258 HydrophobicContact CB-CZ2 4.34Å; V56-W258 HydrophobicContact CG1-CH2 4.17Å; V56-W258 HydrophobicContact CG1-CZ2 4.28Å; V56-R259 PolarHBondContact O-NH2 3.41Å; V56-I403 HydrophobicContact CG1-CG2 4.25Å; V56-S404 WeakPolarHBondContact O-CB 3.32Å; V56-S404 PolarHBondContact O-OG 3.05Å |
| 57 | L | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 140 | -169.7 | 179.9 | 66.7 | 0 | 0 | 0 | 110.9 | L59 I70 A71 M113 | L57-L59 HydrophobicContact CD2-CD2 3.97Å; L57-L59 HydrophobicContact CG-CD2 4.11Å; L57-I70 WeakPolarHBondContact O-CA 3.35Å; L57-A71 HydrophobicContact CB-CB 4.19Å; L57-A71 PolarHBondContact O-N 2.85Å; L57-M113 HydrophobicContact CD2-CB 3.55Å |
| 58 | M | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.9 | 158.9 | 171.5 | 178.7 | 131.2 | 0 | 0 | 108.3 | M68 F69 I70 A406 Y414 L416 V430 | M58-M68 HydrophobicContact CE-CB 4.3Å; M58-M68 HydrophobicContact CE-CG 3.87Å; M58-M68 HydrophobicContact CE-SD 3.64Å; M58-M68 HydrophobicContact CG-CB 4.44Å; M58-M68 HydrophobicContact SD-CB 4.3Å; M58-M68 HydrophobicContact SD-CG 4.45Å; M58-M68 HydrophobicContact SD-SD 4.19Å; M58-F69 CarbonylContact C-O 3.32Å; M58-F69 VanDerWaalsContact CA-O 3.25Å; M58-F69 WeakPolarHBondContact CA-O 3.44Å; M58-I70 HydrophobicContact CB-CG1 4.1Å; M58-I70 HydrophobicContact CG-CG1 3.94Å; M58-I70 HydrophobicContact SD-CD1 4.26Å; M58-I70 HydrophobicContact SD-CG1 4.2Å; M58-A406 HydrophobicContact CB-CB 3.57Å; M58-A406 HydrophobicContact CE-CB 4.42Å; M58-A406 HydrophobicContact CG-CB 3.97Å; M58-A406 WeakPolarHBondContact O-CB 3.37Å; M58-Y414 HydrophobicContact CE-CD1 3.73Å; M58-Y414 HydrophobicContact CE-CD2 3.56Å; M58-Y414 HydrophobicContact CE-CE1 3.94Å; M58-Y414 HydrophobicContact CE-CE2 3.87Å; M58-Y414 HydrophobicContact CE-CG 3.54Å; M58-Y414 HydrophobicContact SD-CD1 4.2Å; M58-Y414 HydrophobicContact SD-CG 4.28Å; M58-L416 HydrophobicContact CB-CD1 4.09Å; M58-L416 HydrophobicContact CB-CD2 4.14Å; M58-V430 HydrophobicContact SD-CG1 3.92Å |
| 59 | L | 98.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 12% | 0.12 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 164.2 | 173.6 | 73.4 | 166.5 | 0 | 0 | 0 | 112.3 | L57 F69 M113 F115 | L57-L59 HydrophobicContact CD2-CD2 3.97Å; L57-L59 HydrophobicContact CG-CD2 4.11Å; L59-F69 HydrophobicContact CD2-CB 3.91Å; L59-F69 HydrophobicContact CG-CB 4.49Å; L59-F69 PolarHBondContact N-O 2.78Å; L59-F69 PolarHBondContact O-N 2.64Å; L59-M113 HydrophobicContact CD1-CB 4.39Å; L59-M113 HydrophobicContact CD1-CG 4.36Å; L59-M113 WeakPolarHBondContact CD1-O 3.4Å; L59-M113 HydrophobicContact CD2-CB 4.31Å; L59-M113 HydrophobicContact CD2-SD 4.23Å; L59-F115 HydrophobicContact CD1-CD2 3.53Å; L59-F115 HydrophobicContact CD1-CE2 3.85Å; L59-F115 HydrophobicContact CD2-CE2 4.45Å; L59-F115 HydrophobicContact CG-CD2 3.98Å; L59-F115 HydrophobicContact CG-CE2 3.87Å |
| 60 | H | 97.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 22.6 Ų | 22.6 | 19% | 0.19 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 160 | 171.4 | 71.1 | 82.3 | 0 | 0 | 0 | 111.8 | G62 F115 R264 E407 D408 E409 | H60-G62 PolarHBondContact ND1-N 2.91Å; H60-F115 VanDerWaalsContact O-CD2 3.29Å; H60-F115 WeakPolarHBondContact O-CD2 3.39Å; H60-R264 PolarHBondContact NE2-NH1 3.05Å; H60-E407 IonicContact NE2-OE1 3.3Å; H60-D408 PolarHBondContact CD2-O 3.05Å; H60-D408 VanDerWaalsContact CD2-O 3.31Å; H60-E409 HydrophobicContact CB-CB 3.97Å; H60-E409 PolarHBondContact CD2-N 2.88Å |
| 61 | S | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | trans | -84.3 | -21.1 | -174.6 | 31.8 | 0 | 0 | 0 | 0 | 116.1 | D63 F69 Y119 | S61-D63 VanDerWaalsContact C-N 3.31Å; S61-D63 WeakPolarHBondContact CB-OD1 3.39Å; S61-D63 PolarHBondContact OG-OD1 3.13Å; S61-D63 PolarHBondContact OG-OD2 3.03Å; S61-F69 WeakPolarHBondContact OG-CE2 3.31Å; S61-Y119 WeakPolarHBondContact O-CD1 3.29Å | ||
| 62 | G | 95.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 18.2 Ų | 18.2 | 51% | 0.505 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 70.2 | 32.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H60 E409 | H60-G62 PolarHBondContact ND1-N 2.91Å; G62-E409 VanDerWaalsContact C-OE1 3.26Å; G62-E409 WeakPolarHBondContact CA-OE1 3.06Å; G62-E409 PolarHBondContact N-OE1 3.48Å |
| 63 | D | 96.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -122.9 | 15.3 | -175.3 | 69.2 | -12 | 0 | 0 | 0 | 112.8 | S61 T65 R67 Y119 R120 E409 | S61-D63 VanDerWaalsContact C-N 3.31Å; S61-D63 WeakPolarHBondContact CB-OD1 3.39Å; S61-D63 PolarHBondContact OG-OD1 3.13Å; S61-D63 PolarHBondContact OG-OD2 3.03Å; D63-T65 PolarHBondContact O-N 2.04Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.33Å; D63-T65 PolarHBondContact OD1-N 3.06Å; D63-T65 PolarHBondContact OD1-OG1 3.03Å; D63-T65 PolarHBondContact OD2-OG1 2.91Å; D63-R67 IonicContact OD2-CZ 3.27Å; D63-R67 IonicContact OD2-NE 3.9Å; D63-R67 IonicContact OD2-NH2 2.67Å; D63-R67 PolarHBondContact OD2-NH2 2.95Å; D63-Y119 HydrophobicContact CB-CD1 4.31Å; D63-R120 HydrophobicContact CB-CB 3.83Å; D63-R120 HydrophobicContact CB-CG 4.12Å; D63-E409 PolarHBondContact N-OE1 3Å |
| 64 | D | 96 | Very high | 97.5 | Very high | 77 Ų | 77 | 14.7 Ų | 14.7 | 41% | 0.412 | 9% | 0.087 | S | C | . | . | S | Bend | trans | 62.9 | 10.6 | -178 | -50.1 | -83.8 | 0 | 0 | 0 | 114.2 | R120 E409 P449 L450 | D64-R120 IonicContact OD2-CZ 3.8Å; D64-R120 IonicContact OD2-NH1 3.83Å; D64-R120 PolarHBondContact OD2-NH1 2.87Å; D64-E409 VanDerWaalsContact C-OE2 3.3Å; D64-E409 WeakPolarHBondContact CA-OE2 3.04Å; D64-E409 PolarHBondContact N-OE1 3.48Å; D64-P449 CarbonylContact O-C 3.57Å; D64-P449 VanDerWaalsContact O-CA 3.25Å; D64-P449 WeakPolarHBondContact O-CA 3.2Å; D64-L450 HydrophobicContact CB-CD1 3.92Å; D64-L450 HydrophobicContact CB-CG 3.87Å; D64-L450 PolarHBondContact O-N 3.38Å |
| 65 | T | 96.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 4% | 0.043 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -84.8 | -13.3 | -178.5 | 64.9 | 0 | 0 | 0 | 0 | 114 | D63 R67 M152 E409 L450 V452 | D63-T65 PolarHBondContact O-N 2.04Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.33Å; D63-T65 PolarHBondContact OD1-N 3.06Å; D63-T65 PolarHBondContact OD1-OG1 3.03Å; D63-T65 PolarHBondContact OD2-OG1 2.91Å; T65-R67 PolarHBondContact O-N 2.73Å; T65-R67 WeakPolarHBondContact OG1-CG 3.27Å; T65-R67 PolarHBondContact OG1-NE 2.81Å; T65-M152 HydrophobicContact CG2-CE 4.21Å; T65-E409 PolarHBondContact N-OE2 3.36Å; T65-L450 HydrophobicContact CG2-CB 4.34Å; T65-V452 HydrophobicContact CG2-CG2 4.26Å |
| 66 | H | 96 | Very high | 97.6 | Very high | 28 Ų | 28 | 16.1 Ų | 16.1 | 13% | 0.13 | 9% | 0.093 | C | C | . | . | trans | 48.5 | 38.6 | -170.8 | -67.3 | -104.7 | 0 | 0 | 0 | 112.8 | R82 E409 P449 | H66-R82 HydrophobicContact CB-CB 4.27Å; H66-R82 HydrophobicContact CB-CG 4.21Å; H66-E409 VanDerWaalsContact CA-OE2 3.29Å; H66-E409 WeakPolarHBondContact CA-OE2 3.46Å; H66-E409 IonicContact CD2-OE2 3.41Å; H66-E409 PolarHBondContact CD2-OE2 3.42Å; H66-E409 IonicContact CG-OE2 2.65Å; H66-E409 PolarHBondContact N-OE2 2.75Å; H66-E409 IonicContact NE2-OE2 3.97Å; H66-P449 HydrophobicContact CB-CB 4.33Å | ||
| 67 | R | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | trans | -81.3 | 139.2 | 168.9 | -71.6 | -177.5 | -67.1 | 162.2 | 5.9 | 110.2 | D63 T65 F69 V79 L81 M152 N153 V452 | D63-R67 IonicContact OD2-CZ 3.27Å; D63-R67 IonicContact OD2-NE 3.9Å; D63-R67 IonicContact OD2-NH2 2.67Å; D63-R67 PolarHBondContact OD2-NH2 2.95Å; T65-R67 PolarHBondContact O-N 2.73Å; T65-R67 WeakPolarHBondContact OG1-CG 3.27Å; T65-R67 PolarHBondContact OG1-NE 2.81Å; R67-F69 HydrophobicContact CB-CD2 4.45Å; R67-F69 HydrophobicContact CB-CE2 3.71Å; R67-F69 HydrophobicContact CB-CZ 4.15Å; R67-V79 HydrophobicContact CG-CG1 4.43Å; R67-L81 HydrophobicContact CG-CD2 4Å; R67-M152 PolarHBondContact NH1-O 2.94Å; R67-N153 PolarHBondContact NH1-OD1 3.47Å; R67-V452 HydrophobicContact CG-CG2 3.64Å | ||
| 68 | M | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 6% | 0.064 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.8 | 173.3 | -59.9 | 173.4 | -64.7 | 0 | 0 | 108 | V48 M58 Y80 Y414 | V48-M68 HydrophobicContact CG1-CE 3.72Å; V48-M68 HydrophobicContact CG1-SD 4.25Å; M58-M68 HydrophobicContact CE-CB 4.3Å; M58-M68 HydrophobicContact CE-CG 3.87Å; M58-M68 HydrophobicContact CE-SD 3.64Å; M58-M68 HydrophobicContact CG-CB 4.44Å; M58-M68 HydrophobicContact SD-CB 4.3Å; M58-M68 HydrophobicContact SD-CG 4.45Å; M58-M68 HydrophobicContact SD-SD 4.19Å; M68-Y80 PolarHBondContact N-O 3.13Å; M68-Y80 PolarHBondContact O-N 3.03Å; M68-Y414 HydrophobicContact SD-CE1 4.19Å |
| 69 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.7 | 176.2 | -62.9 | -99.2 | 0 | 0 | 0 | 107.1 | M58 L59 S61 R67 V77 W78 V79 F91 F115 | M58-F69 CarbonylContact C-O 3.32Å; M58-F69 VanDerWaalsContact CA-O 3.25Å; M58-F69 WeakPolarHBondContact CA-O 3.44Å; L59-F69 HydrophobicContact CD2-CB 3.91Å; L59-F69 HydrophobicContact CG-CB 4.49Å; L59-F69 PolarHBondContact N-O 2.78Å; L59-F69 PolarHBondContact O-N 2.64Å; S61-F69 WeakPolarHBondContact OG-CE2 3.31Å; R67-F69 HydrophobicContact CB-CD2 4.45Å; R67-F69 HydrophobicContact CB-CE2 3.71Å; R67-F69 HydrophobicContact CB-CZ 4.15Å; F69-V77 HydrophobicContact CB-CG1 4Å; F69-V77 HydrophobicContact CD1-CG1 4.39Å; F69-W78 WeakPolarHBondContact CA-O 3.22Å; F69-V79 HydrophobicContact CD1-CG2 4.08Å; F69-V79 HydrophobicContact CE1-CG2 3.86Å; F69-F91 HydrophobicContact CD1-CB 4.17Å; F69-F91 HydrophobicContact CD1-CD1 4.23Å; F69-F91 HydrophobicContact CD1-CD2 4.18Å; F69-F91 AromaticContact CD1-CG 3.95Å; F69-F91 HydrophobicContact CD1-CG 3.95Å; F69-F91 HydrophobicContact CE1-CB 4.33Å; F69-F91 HydrophobicContact CE1-CD1 4.41Å; F69-F91 AromaticContact CE1-CD2 3.62Å; F69-F91 HydrophobicContact CE1-CD2 3.62Å; F69-F91 AromaticContact CE1-CE2 3.94Å; F69-F91 HydrophobicContact CE1-CE2 3.94Å; F69-F91 AromaticContact CE1-CG 3.89Å; F69-F91 HydrophobicContact CE1-CG 3.89Å; F69-F91 HydrophobicContact CE1-CZ 4.46Å; F69-F115 HydrophobicContact CB-CE2 4.37Å; F69-F115 HydrophobicContact CD1-CE2 4.41Å; F69-F115 AromaticContact CD1-CZ 3.85Å; F69-F115 HydrophobicContact CD1-CZ 3.85Å; F69-F115 AromaticContact CD2-CE2 3.55Å; F69-F115 HydrophobicContact CD2-CE2 3.55Å; F69-F115 AromaticContact CD2-CZ 3.67Å; F69-F115 HydrophobicContact CD2-CZ 3.67Å; F69-F115 AromaticContact CE1-CZ 3.84Å; F69-F115 HydrophobicContact CE1-CZ 3.84Å; F69-F115 AromaticContact CE2-CE2 3.87Å; F69-F115 HydrophobicContact CE2-CE2 3.87Å; F69-F115 AromaticContact CE2-CZ 3.68Å; F69-F115 HydrophobicContact CE2-CZ 3.68Å; F69-F115 AromaticContact CG-CE2 3.85Å; F69-F115 HydrophobicContact CG-CE2 3.85Å; F69-F115 AromaticContact CG-CZ 3.77Å; F69-F115 HydrophobicContact CG-CZ 3.77Å; F69-F115 HydrophobicContact CZ-CE2 4.41Å; F69-F115 AromaticContact CZ-CZ 3.76Å; F69-F115 HydrophobicContact CZ-CZ 3.76Å |
| 70 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.8 | -175.9 | -60 | 178.1 | 0 | 0 | 0 | 108.5 | A49 L52 P55 L57 M58 W78 Y80 V430 | A49-I70 HydrophobicContact CB-CD1 3.7Å; L52-I70 HydrophobicContact CD1-CG2 3.85Å; L52-I70 HydrophobicContact CD2-CG2 4.2Å; P55-I70 HydrophobicContact CB-CG2 4.18Å; L57-I70 WeakPolarHBondContact O-CA 3.35Å; M58-I70 HydrophobicContact CB-CG1 4.1Å; M58-I70 HydrophobicContact CG-CG1 3.94Å; M58-I70 HydrophobicContact SD-CD1 4.26Å; M58-I70 HydrophobicContact SD-CG1 4.2Å; I70-W78 PolarHBondContact N-O 2.03Å; I70-W78 PolarHBondContact O-N 3.09Å; I70-Y80 HydrophobicContact CB-CD2 4.35Å; I70-Y80 HydrophobicContact CB-CE2 4.27Å; I70-Y80 HydrophobicContact CD1-CD2 3.66Å; I70-Y80 HydrophobicContact CD1-CE2 3.78Å; I70-Y80 HydrophobicContact CD1-CG 4.14Å; I70-Y80 HydrophobicContact CG1-CD2 4.08Å; I70-Y80 HydrophobicContact CG1-CE2 4.34Å; I70-V430 HydrophobicContact CD1-CG2 4.03Å; I70-V430 HydrophobicContact CG2-CG2 4.35Å |
| 71 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P55 V56 L57 F76 V77 F110 | P55-A71 CarbonylContact C-O 3.57Å; P55-A71 VanDerWaalsContact CA-O 3.31Å; P55-A71 WeakPolarHBondContact CA-O 3.38Å; V56-A71 HydrophobicContact CG2-CB 4.39Å; V56-A71 PolarHBondContact N-O 3.43Å; L57-A71 HydrophobicContact CB-CB 4.19Å; L57-A71 PolarHBondContact O-N 2.85Å; A71-F76 CarbonylContact C-O 3.51Å; A71-F76 WeakPolarHBondContact CA-O 3.21Å; A71-V77 HydrophobicContact CB-CG2 3.99Å; A71-F110 HydrophobicContact CB-CD1 3.67Å; A71-F110 HydrophobicContact CB-CE1 3.48Å; A71-F110 VanDerWaalsContact CB-CE1 3.48Å; A71-F110 HydrophobicContact CB-CZ 4.5Å |
| 72 | E | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 21 Ų | 21 | 5% | 0.051 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.5 | 171.4 | -66.1 | -178.6 | 135.3 | 0 | 0 | 109.2 | L52 R53 L74 G75 F76 W78 | L52-E72 WeakPolarHBondContact CA-OE1 3.46Å; L52-E72 HydrophobicContact CD2-CG 4.22Å; R53-E72 HydrophobicContact CB-CB 4.31Å; R53-E72 HydrophobicContact CB-CG 4.26Å; R53-E72 PolarHBondContact N-OE1 3.22Å; R53-E72 WeakPolarHBondContact O-CA 3.41Å; R53-E72 VanDerWaalsContact O-CB 3.26Å; R53-E72 WeakPolarHBondContact O-CB 3.25Å; E72-L74 PolarHBondContact O-N 2.8Å; E72-G75 PolarHBondContact O-N 2.78Å; E72-F76 HydrophobicContact CB-CB 4.41Å; E72-F76 PolarHBondContact N-O 3.2Å; E72-W78 VanDerWaalsContact CD-NE1 3.34Å; E72-W78 PolarHBondContact OE2-NE1 2.93Å |
| 73 | Q | 97.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.2 | 179.8 | -173.2 | 177.4 | 13 | 0 | 0 | 113.2 | R53 N54 V56 G75 D106 R108 F110 A423 | R53-Q73 PolarHBondContact O-N 2.93Å; N54-Q73 HydrophobicContact CB-CB 4.26Å; N54-Q73 PolarHBondContact ND2-OE1 3.14Å; N54-Q73 PolarHBondContact O-N 3.32Å; N54-Q73 VanDerWaalsContact O-N 3.15Å; V56-Q73 HydrophobicContact CG1-CB 3.94Å; V56-Q73 HydrophobicContact CG1-CG 4.35Å; Q73-G75 PolarHBondContact O-N 2.78Å; Q73-D106 PolarHBondContact NE2-O 2.9Å; Q73-R108 PolarHBondContact NE2-O 2.88Å; Q73-F110 PolarHBondContact O-N 3.18Å; Q73-A423 HydrophobicContact CB-CB 4.17Å; Q73-A423 HydrophobicContact CG-CB 4.08Å |
| 74 | L | 97.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -4.1 | 174.8 | -101.4 | 170.9 | 0 | 0 | 0 | 115.8 | R53 E72 F76 S95 T100 A423 M424 | R53-L74 HydrophobicContact CB-CD1 4.37Å; E72-L74 PolarHBondContact O-N 2.8Å; L74-F76 HydrophobicContact CB-CD2 4.02Å; L74-F76 HydrophobicContact CB-CE2 4.19Å; L74-S95 VanDerWaalsContact O-CA 3.27Å; L74-S95 WeakPolarHBondContact O-CA 3.48Å; L74-S95 VanDerWaalsContact O-CB 3.32Å; L74-S95 WeakPolarHBondContact O-CB 3.16Å; L74-T100 HydrophobicContact CD2-CG2 4.16Å; L74-A423 WeakPolarHBondContact CD1-O 3.13Å; L74-A423 HydrophobicContact CG-CB 4.48Å; L74-A423 WeakPolarHBondContact CG-O 3.37Å; L74-M424 HydrophobicContact CD1-CE 4.11Å; L74-M424 HydrophobicContact CD1-SD 4.26Å; L74-M424 HydrophobicContact CD2-CE 3.66Å; L74-M424 HydrophobicContact CD2-SD 4.49Å; L74-M424 HydrophobicContact CG-CE 3.9Å |
| 75 | G | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 89.9 | 15.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E72 Q73 M94 | E72-G75 PolarHBondContact O-N 2.78Å; Q73-G75 PolarHBondContact O-N 2.78Å; G75-M94 PolarHBondContact O-N 2.99Å |
| 76 | F | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 18% | 0.184 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.6 | 168.1 | -61.3 | -76.6 | 0 | 0 | 0 | 110.4 | A71 E72 L74 W78 L92 D93 S95 | A71-F76 CarbonylContact C-O 3.51Å; A71-F76 WeakPolarHBondContact CA-O 3.21Å; E72-F76 HydrophobicContact CB-CB 4.41Å; E72-F76 PolarHBondContact N-O 3.2Å; L74-F76 HydrophobicContact CB-CD2 4.02Å; L74-F76 HydrophobicContact CB-CE2 4.19Å; F76-W78 HydrophobicContact CB-CZ2 4.45Å; F76-L92 WeakPolarHBondContact CA-O 3.35Å; F76-D93 HydrophobicContact CD1-CB 4.1Å; F76-D93 HydrophobicContact CE1-CB 4.2Å; F76-D93 VanDerWaalsContact CE1-OD1 3.31Å; F76-D93 WeakPolarHBondContact CE1-OD1 3.44Å; F76-D93 WeakPolarHBondContact CE1-OD2 3.44Å; F76-S95 WeakPolarHBondContact CZ-OG 3.38Å |
| 77 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.1 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | F69 A71 P90 F91 L92 F110 M113 | F69-V77 HydrophobicContact CB-CG1 4Å; F69-V77 HydrophobicContact CD1-CG1 4.39Å; A71-V77 HydrophobicContact CB-CG2 3.99Å; V77-P90 CarbonylContact O-C 3.46Å; V77-P90 WeakPolarHBondContact O-CA 3.24Å; V77-P90 VanDerWaalsContact O-CB 3.29Å; V77-P90 WeakPolarHBondContact O-CB 3.23Å; V77-F91 HydrophobicContact CB-CB 4.29Å; V77-F91 HydrophobicContact CB-CD1 4.44Å; V77-F91 HydrophobicContact CG1-CB 4.21Å; V77-F91 HydrophobicContact CG1-CD1 4.22Å; V77-F91 WeakPolarHBondContact O-CB 3.31Å; V77-F91 PolarHBondContact O-N 3.08Å; V77-L92 HydrophobicContact CB-CB 4.05Å; V77-L92 HydrophobicContact CG2-CB 3.97Å; V77-L92 HydrophobicContact CG2-CD2 4.28Å; V77-L92 PolarHBondContact N-O 2.74Å; V77-F110 HydrophobicContact CG2-CE1 4.24Å; V77-F110 HydrophobicContact CG2-CE2 4.44Å; V77-F110 HydrophobicContact CG2-CZ 3.93Å; V77-M113 HydrophobicContact CG1-SD 4.26Å; V77-M113 HydrophobicContact CG2-SD 4.35Å |
| 78 | W | 98.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.3 | -178 | -65 | 100.8 | 0 | 0 | 0 | 112 | F69 I70 E72 F76 Y80 R86 P90 | F69-W78 WeakPolarHBondContact CA-O 3.22Å; I70-W78 PolarHBondContact N-O 2.03Å; I70-W78 PolarHBondContact O-N 3.09Å; E72-W78 VanDerWaalsContact CD-NE1 3.34Å; E72-W78 PolarHBondContact OE2-NE1 2.93Å; F76-W78 HydrophobicContact CB-CZ2 4.45Å; W78-Y80 HydrophobicContact CB-CD2 4.2Å; W78-Y80 HydrophobicContact CB-CE2 3.75Å; W78-R86 HydrophobicContact CB-CG 4.38Å; W78-P90 HydrophobicContact CD2-CB 4.29Å; W78-P90 HydrophobicContact CE3-CB 4.03Å; W78-P90 HydrophobicContact CH2-CB 4.33Å; W78-P90 HydrophobicContact CH2-CG 4.4Å; W78-P90 HydrophobicContact CZ3-CB 4.05Å; W78-P90 HydrophobicContact CZ3-CG 4.37Å |
| 79 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.7 | 172.2 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | R67 F69 L81 R86 L87 F91 N153 | R67-V79 HydrophobicContact CG-CG1 4.43Å; F69-V79 HydrophobicContact CD1-CG2 4.08Å; F69-V79 HydrophobicContact CE1-CG2 3.86Å; V79-L81 HydrophobicContact CG1-CD2 4.16Å; V79-R86 WeakPolarHBondContact O-CA 3.4Å; V79-L87 HydrophobicContact CB-CB 4.41Å; V79-L87 HydrophobicContact CB-CD1 3.83Å; V79-L87 HydrophobicContact CB-CG 3.96Å; V79-L87 HydrophobicContact CG1-CD1 3.87Å; V79-L87 HydrophobicContact CG1-CG 4.15Å; V79-L87 HydrophobicContact CG2-CD1 4.39Å; V79-L87 PolarHBondContact O-N 3.31Å; V79-F91 HydrophobicContact CG2-CB 3.74Å; V79-F91 HydrophobicContact CG2-CD2 4.48Å; V79-N153 HydrophobicContact CG2-CB 4.3Å |
| 80 | Y | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.2 | 167.9 | -72.8 | -106.9 | 0 | 0 | 0 | 109.4 | A49 M68 I70 W78 R86 | A49-Y80 HydrophobicContact CB-CD1 4.21Å; A49-Y80 HydrophobicContact CB-CE1 3.5Å; A49-Y80 HydrophobicContact CB-CE2 4.26Å; M68-Y80 PolarHBondContact N-O 3.13Å; M68-Y80 PolarHBondContact O-N 3.03Å; I70-Y80 HydrophobicContact CB-CD2 4.35Å; I70-Y80 HydrophobicContact CB-CE2 4.27Å; I70-Y80 HydrophobicContact CD1-CD2 3.66Å; I70-Y80 HydrophobicContact CD1-CE2 3.78Å; I70-Y80 HydrophobicContact CD1-CG 4.14Å; I70-Y80 HydrophobicContact CG1-CD2 4.08Å; I70-Y80 HydrophobicContact CG1-CE2 4.34Å; W78-Y80 HydrophobicContact CB-CD2 4.2Å; W78-Y80 HydrophobicContact CB-CE2 3.75Å; Y80-R86 HydrophobicContact CD1-CB 3.98Å; Y80-R86 HydrophobicContact CD1-CG 4.25Å; Y80-R86 HydrophobicContact CD2-CG 3.96Å; Y80-R86 HydrophobicContact CE1-CB 3.75Å; Y80-R86 HydrophobicContact CE1-CG 3.94Å; Y80-R86 HydrophobicContact CE2-CB 4.35Å; Y80-R86 HydrophobicContact CE2-CG 3.61Å; Y80-R86 HydrophobicContact CG-CB 4.39Å; Y80-R86 HydrophobicContact CG-CG 4.26Å; Y80-R86 VanDerWaalsContact CZ-CD 3.46Å; Y80-R86 WeakPolarHBondContact OH-CD 3.41Å |
| 81 | L | 97.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -97 | 163.5 | 179.4 | -54.9 | -176.7 | 0 | 0 | 0 | 111.2 | R67 V79 D83 G84 S85 L87 V452 V454 K458 | R67-L81 HydrophobicContact CG-CD2 4Å; V79-L81 HydrophobicContact CG1-CD2 4.16Å; L81-D83 WeakPolarHBondContact CB-OD1 3.37Å; L81-D83 PolarHBondContact O-N 2.83Å; L81-D83 VanDerWaalsContact O-N 3.1Å; L81-G84 WeakPolarHBondContact O-CA 3.42Å; L81-G84 PolarHBondContact O-N 2.81Å; L81-S85 PolarHBondContact N-O 3.47Å; L81-L87 HydrophobicContact CD1-CD2 3.99Å; L81-L87 HydrophobicContact CD2-CD2 4.45Å; L81-L87 HydrophobicContact CG-CD2 4.2Å; L81-V452 HydrophobicContact CD2-CB 4.26Å; L81-V452 HydrophobicContact CD2-CG1 3.93Å; L81-V452 HydrophobicContact CD2-CG2 4.22Å; L81-V454 HydrophobicContact CD1-CG2 4.1Å; L81-K458 HydrophobicContact CD1-CD 4.08Å; L81-K458 HydrophobicContact CD1-CG 4.49Å | ||
| 82 | R | 91.9 | Very high | 97.1 | Very high | 129 Ų | 129 | 34.9 Ų | 34.9 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.9 | 176.3 | -163.4 | -175.9 | -179.7 | -122.8 | -6.1 | 114.5 | H66 G84 | H66-R82 HydrophobicContact CB-CB 4.27Å; H66-R82 HydrophobicContact CB-CG 4.21Å; R82-G84 PolarHBondContact O-N 2.75Å |
| 83 | D | 91.3 | Very high | 97.1 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 56% | 0.561 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 7.2 | 171.2 | 63.5 | 19.1 | 0 | 0 | 0 | 113.1 | L81 S85 K458 | L81-D83 WeakPolarHBondContact CB-OD1 3.37Å; L81-D83 PolarHBondContact O-N 2.83Å; L81-D83 VanDerWaalsContact O-N 3.1Å; D83-S85 PolarHBondContact O-N 3.02Å; D83-S85 VanDerWaalsContact OD1-CB 3.22Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.23Å; D83-S85 PolarHBondContact OD1-OG 2.96Å; D83-K458 IonicContact OD2-NZ 2.67Å; D83-K458 PolarHBondContact OD2-NZ 2.96Å |
| 84 | G | 93.5 | Very high | 97 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 79.6 | -15.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L81 R82 F461 | L81-G84 WeakPolarHBondContact O-CA 3.42Å; L81-G84 PolarHBondContact O-N 2.81Å; R82-G84 PolarHBondContact O-N 2.75Å; G84-F461 VanDerWaalsContact O-CB 3.23Å; G84-F461 WeakPolarHBondContact O-CB 3.16Å |
| 85 | S | 96.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 136.2 | -172 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | L81 D83 F459 | L81-S85 PolarHBondContact N-O 3.47Å; D83-S85 PolarHBondContact O-N 3.02Å; D83-S85 VanDerWaalsContact OD1-CB 3.22Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.23Å; D83-S85 PolarHBondContact OD1-OG 2.96Å; S85-F459 CarbonylContact C-O 3.57Å; S85-F459 WeakPolarHBondContact CA-O 2.97Å; S85-F459 WeakPolarHBondContact CB-O 3.49Å |
| 86 | R | 97.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144 | 172.4 | -161.8 | -174.2 | 78.6 | -176.6 | -0.5 | 110.2 | W78 V79 Y80 F459 | W78-R86 HydrophobicContact CB-CG 4.38Å; V79-R86 WeakPolarHBondContact O-CA 3.4Å; Y80-R86 HydrophobicContact CD1-CB 3.98Å; Y80-R86 HydrophobicContact CD1-CG 4.25Å; Y80-R86 HydrophobicContact CD2-CG 3.96Å; Y80-R86 HydrophobicContact CE1-CB 3.75Å; Y80-R86 HydrophobicContact CE1-CG 3.94Å; Y80-R86 HydrophobicContact CE2-CB 4.35Å; Y80-R86 HydrophobicContact CE2-CG 3.61Å; Y80-R86 HydrophobicContact CG-CB 4.39Å; Y80-R86 HydrophobicContact CG-CG 4.26Å; Y80-R86 VanDerWaalsContact CZ-CD 3.46Å; Y80-R86 WeakPolarHBondContact OH-CD 3.41Å; R86-F459 PolarHBondContact N-O 3.38Å; R86-F459 PolarHBondContact O-N 3.41Å |
| 87 | L | 98.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 157 | 170.8 | -56.5 | -167.7 | 0 | 0 | 0 | 112.2 | V79 L81 N153 V454 K458 | V79-L87 HydrophobicContact CB-CB 4.41Å; V79-L87 HydrophobicContact CB-CD1 3.83Å; V79-L87 HydrophobicContact CB-CG 3.96Å; V79-L87 HydrophobicContact CG1-CD1 3.87Å; V79-L87 HydrophobicContact CG1-CG 4.15Å; V79-L87 HydrophobicContact CG2-CD1 4.39Å; V79-L87 PolarHBondContact O-N 3.31Å; L81-L87 HydrophobicContact CD1-CD2 3.99Å; L81-L87 HydrophobicContact CD2-CD2 4.45Å; L81-L87 HydrophobicContact CG-CD2 4.2Å; L87-N153 HydrophobicContact CD1-CB 3.62Å; L87-V454 HydrophobicContact CD1-CG1 4.44Å; L87-V454 HydrophobicContact CD2-CG1 3.62Å; L87-V454 HydrophobicContact CD2-CG2 4Å; L87-K458 HydrophobicContact CD2-CG 4.06Å |
| 88 | E | 96.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -71.8 | -35.4 | 178.8 | 179.4 | 161.8 | -131.7 | 0 | 0 | 113.6 | K457 F459 | E88-K457 HydrophobicContact CB-CB 4.12Å; E88-K457 WeakPolarHBondContact CB-O 3.37Å; E88-K457 PolarHBondContact N-O 2.85Å; E88-K457 IonicContact OE1-NZ 3.53Å; E88-K457 PolarHBondContact OE1-NZ 2.76Å; E88-K457 WeakPolarHBondContact OE2-CB 3.27Å; E88-K457 WeakPolarHBondContact OE2-CG 3.37Å; E88-K457 PolarHBondContact OE2-N 2.73Å; E88-K457 IonicContact OE2-NZ 3.48Å; E88-K457 PolarHBondContact OE2-NZ 2.68Å; E88-F459 HydrophobicContact CB-CD2 4.45Å; E88-F459 HydrophobicContact CB-CE2 3.75Å; E88-F459 HydrophobicContact CG-CE2 3.97Å |
| 89 | R | 97.1 | Very high | 96.3 | Very high | 159 Ų | 159 | 48 Ų | 48 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -100.9 | 138.7 | 176.8 | -170.3 | -177.1 | 173.9 | 168.8 | -0 | 109.4 | ||
| 90 | P | 97.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | trans | -67.3 | 156.2 | 169.6 | 30.3 | -35.5 | 0 | 0 | 0 | 111.1 | V77 W78 D93 | V77-P90 CarbonylContact O-C 3.46Å; V77-P90 WeakPolarHBondContact O-CA 3.24Å; V77-P90 VanDerWaalsContact O-CB 3.29Å; V77-P90 WeakPolarHBondContact O-CB 3.23Å; W78-P90 HydrophobicContact CD2-CB 4.29Å; W78-P90 HydrophobicContact CE3-CB 4.03Å; W78-P90 HydrophobicContact CH2-CB 4.33Å; W78-P90 HydrophobicContact CH2-CG 4.4Å; W78-P90 HydrophobicContact CZ3-CB 4.05Å; W78-P90 HydrophobicContact CZ3-CG 4.37Å; P90-D93 HydrophobicContact CG-CB 4.31Å | ||
| 91 | F | 98.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -61.9 | -47.9 | 168 | 179.6 | -107.2 | 0 | 0 | 0 | 110.9 | F69 V77 V79 M113 F115 F125 V147 N153 A155 | F69-F91 HydrophobicContact CD1-CB 4.17Å; F69-F91 HydrophobicContact CD1-CD1 4.23Å; F69-F91 HydrophobicContact CD1-CD2 4.18Å; F69-F91 AromaticContact CD1-CG 3.95Å; F69-F91 HydrophobicContact CD1-CG 3.95Å; F69-F91 HydrophobicContact CE1-CB 4.33Å; F69-F91 HydrophobicContact CE1-CD1 4.41Å; F69-F91 AromaticContact CE1-CD2 3.62Å; F69-F91 HydrophobicContact CE1-CD2 3.62Å; F69-F91 AromaticContact CE1-CE2 3.94Å; F69-F91 HydrophobicContact CE1-CE2 3.94Å; F69-F91 AromaticContact CE1-CG 3.89Å; F69-F91 HydrophobicContact CE1-CG 3.89Å; F69-F91 HydrophobicContact CE1-CZ 4.46Å; V77-F91 HydrophobicContact CB-CB 4.29Å; V77-F91 HydrophobicContact CB-CD1 4.44Å; V77-F91 HydrophobicContact CG1-CB 4.21Å; V77-F91 HydrophobicContact CG1-CD1 4.22Å; V77-F91 WeakPolarHBondContact O-CB 3.31Å; V77-F91 PolarHBondContact O-N 3.08Å; V79-F91 HydrophobicContact CG2-CB 3.74Å; V79-F91 HydrophobicContact CG2-CD2 4.48Å; F91-M113 HydrophobicContact CD1-CE 4.18Å; F91-M113 HydrophobicContact CE1-CE 3.63Å; F91-M113 HydrophobicContact CZ-CE 4.46Å; F91-F115 HydrophobicContact CE1-CE1 4.46Å; F91-F115 HydrophobicContact CZ-CE1 4.11Å; F91-F115 HydrophobicContact CZ-CZ 4.44Å; F91-F125 HydrophobicContact CD1-CZ 4.46Å; F91-F125 HydrophobicContact CE1-CD1 4Å; F91-F125 HydrophobicContact CE1-CD2 4.38Å; F91-F125 AromaticContact CE1-CE1 3.51Å; F91-F125 HydrophobicContact CE1-CE1 3.51Å; F91-F125 AromaticContact CE1-CE2 3.93Å; F91-F125 HydrophobicContact CE1-CE2 3.93Å; F91-F125 HydrophobicContact CE1-CG 4.41Å; F91-F125 AromaticContact CE1-CZ 3.47Å; F91-F125 HydrophobicContact CE1-CZ 3.47Å; F91-F125 VanDerWaalsContact CE1-CZ 3.47Å; F91-F125 AromaticContact CZ-CD1 3.84Å; F91-F125 HydrophobicContact CZ-CD1 3.84Å; F91-F125 AromaticContact CZ-CE1 3.47Å; F91-F125 HydrophobicContact CZ-CE1 3.47Å; F91-F125 VanDerWaalsContact CZ-CE1 3.47Å; F91-F125 AromaticContact CZ-CZ 3.94Å; F91-F125 HydrophobicContact CZ-CZ 3.94Å; F91-V147 HydrophobicContact CE2-CG2 4.03Å; F91-N153 WeakPolarHBondContact CA-O 3.4Å; F91-A155 HydrophobicContact CD1-CB 4.49Å; F91-A155 HydrophobicContact CE1-CB 4.26Å; F91-A155 HydrophobicContact CZ-CB 4.41Å; F91-A155 WeakPolarHBondContact O-CB 3.44Å; F91-A155 PolarHBondContact O-N 3.26Å |
| 92 | L | 98.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 141.8 | -178.3 | 179.3 | 64.5 | 0 | 0 | 0 | 109.2 | F76 V77 M94 F110 F125 I127 M145 A155 | F76-L92 WeakPolarHBondContact CA-O 3.35Å; V77-L92 HydrophobicContact CB-CB 4.05Å; V77-L92 HydrophobicContact CG2-CB 3.97Å; V77-L92 HydrophobicContact CG2-CD2 4.28Å; V77-L92 PolarHBondContact N-O 2.74Å; L92-M94 HydrophobicContact CD1-CG 3.82Å; L92-M94 HydrophobicContact CD1-SD 4.38Å; L92-M94 HydrophobicContact CD2-CE 4.38Å; L92-M94 HydrophobicContact CD2-CG 4.06Å; L92-M94 HydrophobicContact CD2-SD 4.06Å; L92-M94 HydrophobicContact CG-CG 3.86Å; L92-M94 HydrophobicContact CG-SD 4.47Å; L92-F110 HydrophobicContact CD2-CE2 4.16Å; L92-F125 HydrophobicContact CD2-CE2 4.27Å; L92-I127 HydrophobicContact CD2-CG2 4.09Å; L92-M145 HydrophobicContact CD1-CE 3.85Å; L92-M145 HydrophobicContact CD1-SD 3.81Å; L92-M145 HydrophobicContact CD2-SD 4.09Å; L92-A155 HydrophobicContact CB-CB 4.39Å; L92-A155 HydrophobicContact CD1-CB 4.03Å |
| 93 | D | 98 | Very high | 95.9 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 111.8 | 170.6 | 177.9 | 1.2 | 0 | 0 | 0 | 107.5 | F76 P90 S95 | F76-D93 HydrophobicContact CD1-CB 4.1Å; F76-D93 HydrophobicContact CE1-CB 4.2Å; F76-D93 VanDerWaalsContact CE1-OD1 3.31Å; F76-D93 WeakPolarHBondContact CE1-OD1 3.44Å; F76-D93 WeakPolarHBondContact CE1-OD2 3.44Å; P90-D93 HydrophobicContact CG-CB 4.31Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.23Å; D93-S95 PolarHBondContact OD1-N 2.68Å; D93-S95 PolarHBondContact OD1-OG 2.67Å |
| 94 | M | 96.3 | Very high | 96 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | trans | -120.6 | 24.3 | 172.6 | -60 | -165.2 | -43.7 | 0 | 0 | 111.3 | G75 L92 G96 E97 V98 F110 I127 Y129 M145 | G75-M94 PolarHBondContact O-N 2.99Å; L92-M94 HydrophobicContact CD1-CG 3.82Å; L92-M94 HydrophobicContact CD1-SD 4.38Å; L92-M94 HydrophobicContact CD2-CE 4.38Å; L92-M94 HydrophobicContact CD2-CG 4.06Å; L92-M94 HydrophobicContact CD2-SD 4.06Å; L92-M94 HydrophobicContact CG-CG 3.86Å; L92-M94 HydrophobicContact CG-SD 4.47Å; M94-G96 PolarHBondContact O-N 3.25Å; M94-E97 HydrophobicContact CB-CB 4.35Å; M94-E97 PolarHBondContact O-N 3.03Å; M94-V98 HydrophobicContact CB-CG2 3.98Å; M94-V98 HydrophobicContact CE-CG2 4.15Å; M94-V98 WeakPolarHBondContact O-CG2 3.04Å; M94-V98 PolarHBondContact O-N 2.58Å; M94-F110 HydrophobicContact CE-CD2 3.59Å; M94-F110 HydrophobicContact CE-CE2 3.71Å; M94-I127 HydrophobicContact CE-CD1 3.7Å; M94-I127 HydrophobicContact SD-CD1 3.51Å; M94-I127 VanDerWaalsContact SD-CD1 3.51Å; M94-Y129 HydrophobicContact CE-CD1 3.84Å; M94-Y129 HydrophobicContact CE-CD2 3.93Å; M94-Y129 HydrophobicContact CE-CE1 4.01Å; M94-Y129 HydrophobicContact CE-CE2 4.05Å; M94-Y129 HydrophobicContact CE-CG 3.8Å; M94-Y129 HydrophobicContact SD-CE1 4.49Å; M94-M145 HydrophobicContact SD-SD 4.42Å | ||
| 95 | S | 95.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.1 | -173.6 | 61.7 | 0 | 0 | 0 | 0 | 115.1 | L74 F76 D93 | L74-S95 VanDerWaalsContact O-CA 3.27Å; L74-S95 WeakPolarHBondContact O-CA 3.48Å; L74-S95 VanDerWaalsContact O-CB 3.32Å; L74-S95 WeakPolarHBondContact O-CB 3.16Å; F76-S95 WeakPolarHBondContact CZ-OG 3.38Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.23Å; D93-S95 PolarHBondContact OD1-N 2.68Å; D93-S95 PolarHBondContact OD1-OG 2.67Å |
| 96 | G | 94.1 | Very high | 95.5 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 81% | 0.814 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -15.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | M94 | M94-G96 PolarHBondContact O-N 3.25Š|
| 97 | E | 93.5 | Very high | 95.4 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -31.3 | -179.8 | -69.2 | -74.2 | 136.3 | 0 | 0 | 112.2 | M94 L99 Y129 | M94-E97 HydrophobicContact CB-CB 4.35Å; M94-E97 PolarHBondContact O-N 3.03Å; E97-L99 PolarHBondContact O-N 3.46Å; E97-Y129 HydrophobicContact CB-CE2 4.15Å |
| 98 | V | 96.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | trans | -74.1 | 122.7 | -173.1 | 168.4 | 0 | 0 | 0 | 0 | 112 | M94 T100 G109 F110 Y129 | M94-V98 HydrophobicContact CB-CG2 3.98Å; M94-V98 HydrophobicContact CE-CG2 4.15Å; M94-V98 WeakPolarHBondContact O-CG2 3.04Å; M94-V98 PolarHBondContact O-N 2.58Å; V98-T100 HydrophobicContact CG1-CG2 4.39Å; V98-T100 PolarHBondContact O-N 3.34Å; V98-G109 VanDerWaalsContact CG1-CA 3.48Å; V98-F110 VanDerWaalsContact CG1-N 3.34Å; V98-F110 HydrophobicContact CG2-CB 4.33Å; V98-Y129 HydrophobicContact CG2-CD2 3.82Å; V98-Y129 HydrophobicContact CG2-CG 4.44Å | ||
| 99 | L | 96.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | trans | -76.2 | 111.4 | 169.3 | 178.4 | 67.9 | 0 | 0 | 0 | 110.3 | E97 R108 G109 S130 Q132 D138 | E97-L99 PolarHBondContact O-N 3.46Å; L99-R108 CarbonylContact O-C 3.49Å; L99-R108 WeakPolarHBondContact O-CB 3.28Å; L99-G109 VanDerWaalsContact O-CA 3.31Å; L99-G109 WeakPolarHBondContact O-CA 3.4Å; L99-G109 PolarHBondContact O-N 2.86Å; L99-G109 VanDerWaalsContact O-N 3.16Å; L99-S130 WeakPolarHBondContact CB-O 3.29Å; L99-S130 PolarHBondContact N-O 2.78Å; L99-Q132 HydrophobicContact CD1-CB 4.22Å; L99-Q132 HydrophobicContact CD2-CB 4.11Å; L99-D138 HydrophobicContact CD2-CB 4.17Å; L99-D138 VanDerWaalsContact CD2-CG 3.43Å; L99-D138 WeakPolarHBondContact CD2-OD2 3.45Å | ||
| 100 | T | 95.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | trans | -153 | 170.3 | 170.6 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | L74 V98 R108 A423 M424 | L74-T100 HydrophobicContact CD2-CG2 4.16Å; V98-T100 HydrophobicContact CG1-CG2 4.39Å; V98-T100 PolarHBondContact O-N 3.34Å; T100-R108 WeakPolarHBondContact CB-O 3.27Å; T100-R108 PolarHBondContact OG1-O 2.92Å; T100-A423 HydrophobicContact CG2-CB 4.07Å; T100-A423 WeakPolarHBondContact OG1-CB 3.33Å; T100-M424 HydrophobicContact CG2-CE 4.29Å | ||
| 101 | T | 94.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -138 | 167.4 | -179.1 | 75.8 | 0 | 0 | 0 | 0 | 111.9 | W103 D106 | T101-W103 PolarHBondContact O-N 2.84Å; T101-W103 WeakPolarHBondContact OG1-CB 3.04Å; T101-W103 PolarHBondContact OG1-N 3.31Å; T101-D106 VanDerWaalsContact CB-OD2 3.32Å; T101-D106 WeakPolarHBondContact CB-OD2 3.2Å; T101-D106 WeakPolarHBondContact CG2-OD2 3.44Å; T101-D106 PolarHBondContact OG1-OD2 2.92Å | ||
| 102 | P | 93.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -72.6 | -4.5 | 169.3 | 29.5 | -37.7 | 0 | 0 | 0 | 114.8 | S422 M424 | P102-S422 PolarHBondContact O-OG 3.22Å; P102-M424 HydrophobicContact CB-CG 3.79Å |
| 103 | W | 94.6 | Very high | 95.4 | Very high | 194 Ų | 194 | 46.4 Ų | 46.4 | 74% | 0.735 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -62.8 | 144.4 | -175.6 | -64 | 117.8 | 0 | 0 | 0 | 111.6 | T101 G105 D106 | T101-W103 PolarHBondContact O-N 2.84Å; T101-W103 WeakPolarHBondContact OG1-CB 3.04Å; T101-W103 PolarHBondContact OG1-N 3.31Å; W103-G105 PolarHBondContact O-N 3.1Å; W103-D106 HydrophobicContact CB-CB 4.45Å; W103-D106 PolarHBondContact O-N 2.56Å |
| 104 | L | 92.7 | Very high | 95.5 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 55% | 0.55 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 119.4 | -179.9 | -169.3 | 81.1 | 0 | 0 | 0 | 109.4 | Y420 P421 | L104-Y420 HydrophobicContact CD1-CD1 4.14Å; L104-Y420 HydrophobicContact CD1-CD2 4.14Å; L104-Y420 HydrophobicContact CD1-CE1 3.84Å; L104-Y420 HydrophobicContact CD1-CE2 3.83Å; L104-Y420 HydrophobicContact CD1-CG 4.3Å; L104-P421 WeakPolarHBondContact CA-O 3.44Å; L104-P421 HydrophobicContact CD1-CG 3.88Å; L104-P421 HydrophobicContact CG-CG 4.33Å |
| 105 | G | 87.2 | Confident | 95.6 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W103 E107 P421 | W103-G105 PolarHBondContact O-N 3.1Å; G105-E107 PolarHBondContact O-N 2.93Å; G105-P421 PolarHBondContact N-O 3.1Å |
| 106 | D | 94.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | trans | -62.5 | 123.9 | 161.2 | -166.7 | -18.2 | 0 | 0 | 0 | 108.6 | Q73 T101 W103 R108 | Q73-D106 PolarHBondContact NE2-O 2.9Å; T101-D106 VanDerWaalsContact CB-OD2 3.32Å; T101-D106 WeakPolarHBondContact CB-OD2 3.2Å; T101-D106 WeakPolarHBondContact CG2-OD2 3.44Å; T101-D106 PolarHBondContact OG1-OD2 2.92Å; W103-D106 HydrophobicContact CB-CB 4.45Å; W103-D106 PolarHBondContact O-N 2.56Å; D106-R108 VanDerWaalsContact C-N 3.3Å; D106-R108 WeakPolarHBondContact OD1-CB 3.44Å; D106-R108 IonicContact OD1-CZ 3.65Å; D106-R108 PolarHBondContact OD1-N 2.9Å; D106-R108 IonicContact OD1-NE 2.93Å; D106-R108 PolarHBondContact OD1-NE 2.89Å; D106-R108 IonicContact OD1-NH2 3.46Å; D106-R108 PolarHBondContact OD1-NH2 3.22Å; D106-R108 IonicContact OD2-CZ 3.6Å; D106-R108 IonicContact OD2-NE 3.59Å; D106-R108 IonicContact OD2-NH2 2.75Å; D106-R108 PolarHBondContact OD2-NH2 3.17Å | ||
| 107 | E | 94.8 | Very high | 95.9 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | trans | -80 | -12.5 | -178.8 | -67.1 | -178.8 | -120.4 | 0 | 0 | 112.3 | G105 L111 N172 H173 N256 | G105-E107 PolarHBondContact O-N 2.93Å; E107-L111 WeakPolarHBondContact O-CD2 3.37Å; E107-N172 VanDerWaalsContact OE1-CB 3.26Å; E107-N172 WeakPolarHBondContact OE1-CB 3.39Å; E107-N172 PolarHBondContact OE1-ND2 2.89Å; E107-H173 IonicContact OE1-CD2 2.71Å; E107-H173 PolarHBondContact OE1-N 3.35Å; E107-H173 VanDerWaalsContact OE2-CA 3.22Å; E107-H173 WeakPolarHBondContact OE2-CA 3.41Å; E107-H173 PolarHBondContact OE2-N 3.4Å; E107-N256 PolarHBondContact OE2-ND2 2.9Å | ||
| 108 | R | 96.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | trans | -83.3 | 143.8 | -176.5 | -62.5 | 169.1 | -63.1 | 168.8 | 9.5 | 112.8 | Q73 L99 T100 D106 S130 D138 N174 | Q73-R108 PolarHBondContact NE2-O 2.88Å; L99-R108 CarbonylContact O-C 3.49Å; L99-R108 WeakPolarHBondContact O-CB 3.28Å; T100-R108 WeakPolarHBondContact CB-O 3.27Å; T100-R108 PolarHBondContact OG1-O 2.92Å; D106-R108 VanDerWaalsContact C-N 3.3Å; D106-R108 WeakPolarHBondContact OD1-CB 3.44Å; D106-R108 IonicContact OD1-CZ 3.65Å; D106-R108 PolarHBondContact OD1-N 2.9Å; D106-R108 IonicContact OD1-NE 2.93Å; D106-R108 PolarHBondContact OD1-NE 2.89Å; D106-R108 IonicContact OD1-NH2 3.46Å; D106-R108 PolarHBondContact OD1-NH2 3.22Å; D106-R108 IonicContact OD2-CZ 3.6Å; D106-R108 IonicContact OD2-NE 3.59Å; D106-R108 IonicContact OD2-NH2 2.75Å; D106-R108 PolarHBondContact OD2-NH2 3.17Å; R108-S130 WeakPolarHBondContact CA-OG 3.33Å; R108-S130 WeakPolarHBondContact CB-OG 3.36Å; R108-D138 WeakPolarHBondContact CD-OD2 3.33Å; R108-D138 IonicContact CZ-OD2 3.75Å; R108-D138 IonicContact NE-OD2 3.99Å; R108-D138 IonicContact NH1-OD2 2.73Å; R108-D138 PolarHBondContact NH1-OD2 3.31Å; R108-N174 WeakPolarHBondContact CG-OD1 3.33Å | ||
| 109 | G | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 159.9 | -152.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V98 L99 Y129 S130 | V98-G109 VanDerWaalsContact CG1-CA 3.48Å; L99-G109 VanDerWaalsContact O-CA 3.31Å; L99-G109 WeakPolarHBondContact O-CA 3.4Å; L99-G109 PolarHBondContact O-N 2.86Å; L99-G109 VanDerWaalsContact O-N 3.16Å; G109-Y129 CarbonylContact O-C 3.6Å; G109-Y129 VanDerWaalsContact O-CA 3.24Å; G109-Y129 WeakPolarHBondContact O-CA 3.41Å; G109-Y129 WeakPolarHBondContact O-CB 3.2Å; G109-S130 PolarHBondContact N-OG 3.24Å; G109-S130 VanDerWaalsContact N-OG 3.16Å; G109-S130 PolarHBondContact O-N 2.9Å |
| 110 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.4 | 158.1 | -170.6 | -84.9 | 0 | 0 | 0 | 107.9 | V56 A71 Q73 V77 L92 M94 V98 M113 I127 | V56-F110 HydrophobicContact CG2-CD1 4.47Å; V56-F110 VanDerWaalsContact CG2-O 3.32Å; V56-F110 WeakPolarHBondContact CG2-O 3.34Å; A71-F110 HydrophobicContact CB-CD1 3.67Å; A71-F110 HydrophobicContact CB-CE1 3.48Å; A71-F110 VanDerWaalsContact CB-CE1 3.48Å; A71-F110 HydrophobicContact CB-CZ 4.5Å; Q73-F110 PolarHBondContact O-N 3.18Å; V77-F110 HydrophobicContact CG2-CE1 4.24Å; V77-F110 HydrophobicContact CG2-CE2 4.44Å; V77-F110 HydrophobicContact CG2-CZ 3.93Å; L92-F110 HydrophobicContact CD2-CE2 4.16Å; M94-F110 HydrophobicContact CE-CD2 3.59Å; M94-F110 HydrophobicContact CE-CE2 3.71Å; V98-F110 VanDerWaalsContact CG1-N 3.34Å; V98-F110 HydrophobicContact CG2-CB 4.33Å; F110-M113 HydrophobicContact CE1-CB 4.22Å; F110-M113 HydrophobicContact CZ-CB 4.02Å; F110-M113 HydrophobicContact CZ-SD 4.49Å; F110-I127 HydrophobicContact CE2-CB 4.11Å; F110-I127 HydrophobicContact CE2-CG2 3.79Å; F110-I127 HydrophobicContact CZ-CB 4.45Å; F110-I127 HydrophobicContact CZ-CG2 3.88Å |
| 111 | L | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -28.8 | -169.5 | -53.1 | 176.7 | 0 | 0 | 0 | 113.5 | E107 Y128 N174 G176 W258 R259 | E107-L111 WeakPolarHBondContact O-CD2 3.37Å; L111-Y128 HydrophobicContact CB-CD1 4.11Å; L111-Y128 HydrophobicContact CD1-CD1 4.29Å; L111-Y128 HydrophobicContact CD1-CE1 4.08Å; L111-Y128 PolarHBondContact N-O 2.99Å; L111-N174 HydrophobicContact CD1-CB 3.99Å; L111-G176 CarbonylContact C-O 3.42Å; L111-W258 HydrophobicContact CB-CZ3 4.27Å; L111-W258 HydrophobicContact CD2-CH2 3.99Å; L111-W258 HydrophobicContact CD2-CZ3 4.03Å; L111-R259 PolarHBondContact O-NH1 2.75Å; L111-R259 PolarHBondContact O-NH2 3.22Å |
| 112 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I127 Y128 G176 | G112-I127 CarbonylContact O-C 3.59Å; G112-I127 WeakPolarHBondContact O-CA 3.32Å; G112-Y128 PolarHBondContact N-O 2.96Å; G112-Y128 PolarHBondContact O-N 3.19Å; G112-G176 WeakPolarHBondContact CA-O 3.44Å; G112-G176 PolarHBondContact N-O 3.05Å |
| 113 | M | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 145.1 | 170.5 | -171 | 179 | 154.5 | 0 | 0 | 108.9 | L57 L59 V77 F91 F110 F115 F125 F126 I127 | L57-M113 HydrophobicContact CD2-CB 3.55Å; L59-M113 HydrophobicContact CD1-CB 4.39Å; L59-M113 HydrophobicContact CD1-CG 4.36Å; L59-M113 WeakPolarHBondContact CD1-O 3.4Å; L59-M113 HydrophobicContact CD2-CB 4.31Å; L59-M113 HydrophobicContact CD2-SD 4.23Å; V77-M113 HydrophobicContact CG1-SD 4.26Å; V77-M113 HydrophobicContact CG2-SD 4.35Å; F91-M113 HydrophobicContact CD1-CE 4.18Å; F91-M113 HydrophobicContact CE1-CE 3.63Å; F91-M113 HydrophobicContact CZ-CE 4.46Å; F110-M113 HydrophobicContact CE1-CB 4.22Å; F110-M113 HydrophobicContact CZ-CB 4.02Å; F110-M113 HydrophobicContact CZ-SD 4.49Å; M113-F115 HydrophobicContact CE-CD1 4.25Å; M113-F115 HydrophobicContact CE-CD2 4.29Å; M113-F115 HydrophobicContact CE-CE1 3.6Å; M113-F115 HydrophobicContact CE-CE2 3.66Å; M113-F115 HydrophobicContact CE-CZ 3.27Å; M113-F125 HydrophobicContact CE-CB 4.18Å; M113-F125 HydrophobicContact CE-CD2 3.66Å; M113-F125 HydrophobicContact CE-CE2 4.16Å; M113-F125 HydrophobicContact CE-CG 3.95Å; M113-F125 HydrophobicContact CG-CD2 4.26Å; M113-F125 HydrophobicContact SD-CD2 4.36Å; M113-F126 CarbonylContact C-O 3.5Å; M113-F126 WeakPolarHBondContact CA-O 3.21Å; M113-F126 WeakPolarHBondContact CG-O 3.17Å; M113-I127 HydrophobicContact CG-CG2 4.12Å |
| 114 | A | 98.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | F125 F126 L178 F180 L186 | A114-F125 CarbonylContact O-C 3.53Å; A114-F125 WeakPolarHBondContact O-CA 3.33Å; A114-F126 PolarHBondContact N-O 2.82Å; A114-F126 PolarHBondContact O-N 2.92Å; A114-L178 HydrophobicContact CB-CB 3.77Å; A114-F180 HydrophobicContact CB-CD2 4.15Å; A114-F180 HydrophobicContact CB-CE2 4.1Å; A114-L186 HydrophobicContact CB-CD1 4.45Å |
| 115 | F | 98.8 | Very high | 97 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 143.9 | 169 | -71.6 | -76.3 | 0 | 0 | 0 | 110.3 | L59 H60 F69 F91 M113 Y119 F125 F180 | L59-F115 HydrophobicContact CD1-CD2 3.53Å; L59-F115 HydrophobicContact CD1-CE2 3.85Å; L59-F115 HydrophobicContact CD2-CE2 4.45Å; L59-F115 HydrophobicContact CG-CD2 3.98Å; L59-F115 HydrophobicContact CG-CE2 3.87Å; H60-F115 VanDerWaalsContact O-CD2 3.29Å; H60-F115 WeakPolarHBondContact O-CD2 3.39Å; F69-F115 HydrophobicContact CB-CE2 4.37Å; F69-F115 HydrophobicContact CD1-CE2 4.41Å; F69-F115 AromaticContact CD1-CZ 3.85Å; F69-F115 HydrophobicContact CD1-CZ 3.85Å; F69-F115 AromaticContact CD2-CE2 3.55Å; F69-F115 HydrophobicContact CD2-CE2 3.55Å; F69-F115 AromaticContact CD2-CZ 3.67Å; F69-F115 HydrophobicContact CD2-CZ 3.67Å; F69-F115 AromaticContact CE1-CZ 3.84Å; F69-F115 HydrophobicContact CE1-CZ 3.84Å; F69-F115 AromaticContact CE2-CE2 3.87Å; F69-F115 HydrophobicContact CE2-CE2 3.87Å; F69-F115 AromaticContact CE2-CZ 3.68Å; F69-F115 HydrophobicContact CE2-CZ 3.68Å; F69-F115 AromaticContact CG-CE2 3.85Å; F69-F115 HydrophobicContact CG-CE2 3.85Å; F69-F115 AromaticContact CG-CZ 3.77Å; F69-F115 HydrophobicContact CG-CZ 3.77Å; F69-F115 HydrophobicContact CZ-CE2 4.41Å; F69-F115 AromaticContact CZ-CZ 3.76Å; F69-F115 HydrophobicContact CZ-CZ 3.76Å; F91-F115 HydrophobicContact CE1-CE1 4.46Å; F91-F115 HydrophobicContact CZ-CE1 4.11Å; F91-F115 HydrophobicContact CZ-CZ 4.44Å; M113-F115 HydrophobicContact CE-CD1 4.25Å; M113-F115 HydrophobicContact CE-CD2 4.29Å; M113-F115 HydrophobicContact CE-CE1 3.6Å; M113-F115 HydrophobicContact CE-CE2 3.66Å; M113-F115 HydrophobicContact CE-CZ 3.27Å; F115-Y119 HydrophobicContact CB-CG 4.26Å; F115-Y119 AromaticContact CD1-CD1 3.79Å; F115-Y119 HydrophobicContact CD1-CD1 3.79Å; F115-Y119 AromaticContact CD1-CD2 3.54Å; F115-Y119 HydrophobicContact CD1-CD2 3.54Å; F115-Y119 AromaticContact CD1-CE1 3.82Å; F115-Y119 HydrophobicContact CD1-CE1 3.82Å; F115-Y119 AromaticContact CD1-CE2 3.56Å; F115-Y119 HydrophobicContact CD1-CE2 3.56Å; F115-Y119 AromaticContact CD1-CG 3.65Å; F115-Y119 HydrophobicContact CD1-CG 3.65Å; F115-Y119 AromaticContact CD1-CZ 3.69Å; F115-Y119 HydrophobicContact CE1-CD1 4.27Å; F115-Y119 HydrophobicContact CE1-CD2 4.14Å; F115-Y119 AromaticContact CE1-CE1 3.8Å; F115-Y119 HydrophobicContact CE1-CE1 3.8Å; F115-Y119 AromaticContact CE1-CE2 3.65Å; F115-Y119 HydrophobicContact CE1-CE2 3.65Å; F115-Y119 HydrophobicContact CE1-CG 4.41Å; F115-Y119 AromaticContact CE1-CZ 3.45Å; F115-Y119 VanDerWaalsContact CE1-CZ 3.45Å; F115-Y119 HydrophobicContact CG-CD1 4.38Å; F115-Y119 HydrophobicContact CG-CG 4.31Å; F115-F125 HydrophobicContact CD1-CB 3.71Å; F115-F125 HydrophobicContact CE1-CB 4.12Å; F115-F125 HydrophobicContact CE1-CG 4.47Å; F115-F125 HydrophobicContact CG-CB 4.41Å; F115-F180 VanDerWaalsContact O-CD2 3.27Å; F115-F180 WeakPolarHBondContact O-CD2 3.33Å; F115-F180 WeakPolarHBondContact O-CE2 3.42Å |
| 116 | H | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | trans | -64.4 | 146.6 | 175.2 | -165.5 | -105.1 | 0 | 0 | 0 | 110.6 | K118 Y119 N122 R124 F126 F180 D222 | H116-K118 PolarHBondContact ND1-N 2.96Å; H116-K118 PolarHBondContact O-N 2.9Å; H116-Y119 VanDerWaalsContact O-CB 3.22Å; H116-Y119 WeakPolarHBondContact O-CB 3.35Å; H116-Y119 PolarHBondContact O-N 3.46Å; H116-N122 PolarHBondContact ND1-ND2 2.95Å; H116-R124 HydrophobicContact CB-CB 4.07Å; H116-R124 WeakPolarHBondContact CB-O 3.34Å; H116-R124 PolarHBondContact N-O 2.88Å; H116-F126 HydrophobicContact CB-CE2 4.21Å; H116-F126 AromaticContact CD2-CE2 3.82Å; H116-F180 AromaticContact CD2-CE1 3.84Å; H116-F180 AromaticContact CD2-CZ 3.66Å; H116-D222 IonicContact CE1-OD1 2.88Å; H116-D222 PolarHBondContact CE1-OD1 2.86Å; H116-D222 VanDerWaalsContact CE1-OD1 3.27Å; H116-D222 IonicContact CE1-OD2 3.57Å; H116-D222 IonicContact NE2-OD1 3.34Å; H116-D222 PolarHBondContact NE2-OD1 2.85Å; H116-D222 IonicContact NE2-OD2 2.73Å | ||
| 117 | P | 97.8 | Very high | 97.8 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 52% | 0.519 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -6.5 | 176.6 | -25.1 | 36.2 | 0 | 0 | 0 | 114.9 | F180 | P117-F180 VanDerWaalsContact CD-CD1 3.47Å; P117-F180 HydrophobicContact CG-CB 3.65Å; P117-F180 HydrophobicContact CG-CD1 3.61Å; P117-F180 HydrophobicContact CG-CD2 4.19Å; P117-F180 HydrophobicContact CG-CE1 4.31Å; P117-F180 HydrophobicContact CG-CG 3.54Å |
| 118 | K | 97.3 | Very high | 98 | Very high | 107 Ų | 107 | 31.2 Ų | 31.2 | 47% | 0.465 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 20.9 | 175.3 | -50.5 | 171.3 | -170.6 | 158.8 | 0 | 112 | H116 R120 L121 N122 D222 | H116-K118 PolarHBondContact ND1-N 2.96Å; H116-K118 PolarHBondContact O-N 2.9Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 3.2Å; K118-L121 WeakPolarHBondContact O-CA 3.45Å; K118-L121 WeakPolarHBondContact O-CB 3.37Å; K118-L121 PolarHBondContact O-N 2.63Å; K118-N122 PolarHBondContact O-N 3.29Å; K118-N122 PolarHBondContact O-OD1 3.4Å; K118-D222 IonicContact NZ-OD2 2.71Å; K118-D222 PolarHBondContact NZ-OD2 3.15Å |
| 119 | Y | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.8 | -42.9 | -173.5 | 171 | -111.3 | 0 | 0 | 0 | 113 | S61 D63 F115 H116 L121 N122 G123 R124 V147 | S61-Y119 WeakPolarHBondContact O-CD1 3.29Å; D63-Y119 HydrophobicContact CB-CD1 4.31Å; F115-Y119 HydrophobicContact CB-CG 4.26Å; F115-Y119 AromaticContact CD1-CD1 3.79Å; F115-Y119 HydrophobicContact CD1-CD1 3.79Å; F115-Y119 AromaticContact CD1-CD2 3.54Å; F115-Y119 HydrophobicContact CD1-CD2 3.54Å; F115-Y119 AromaticContact CD1-CE1 3.82Å; F115-Y119 HydrophobicContact CD1-CE1 3.82Å; F115-Y119 AromaticContact CD1-CE2 3.56Å; F115-Y119 HydrophobicContact CD1-CE2 3.56Å; F115-Y119 AromaticContact CD1-CG 3.65Å; F115-Y119 HydrophobicContact CD1-CG 3.65Å; F115-Y119 AromaticContact CD1-CZ 3.69Å; F115-Y119 HydrophobicContact CE1-CD1 4.27Å; F115-Y119 HydrophobicContact CE1-CD2 4.14Å; F115-Y119 AromaticContact CE1-CE1 3.8Å; F115-Y119 HydrophobicContact CE1-CE1 3.8Å; F115-Y119 AromaticContact CE1-CE2 3.65Å; F115-Y119 HydrophobicContact CE1-CE2 3.65Å; F115-Y119 HydrophobicContact CE1-CG 4.41Å; F115-Y119 AromaticContact CE1-CZ 3.45Å; F115-Y119 VanDerWaalsContact CE1-CZ 3.45Å; F115-Y119 HydrophobicContact CG-CD1 4.38Å; F115-Y119 HydrophobicContact CG-CG 4.31Å; H116-Y119 VanDerWaalsContact O-CB 3.22Å; H116-Y119 WeakPolarHBondContact O-CB 3.35Å; H116-Y119 PolarHBondContact O-N 3.46Å; Y119-L121 PolarHBondContact O-N 3.1Å; Y119-N122 WeakPolarHBondContact CA-OD1 3.49Å; Y119-N122 PolarHBondContact O-N 2.93Å; Y119-G123 VanDerWaalsContact CD2-C 3.43Å; Y119-G123 WeakPolarHBondContact CE2-O 3.18Å; Y119-G123 WeakPolarHBondContact O-CA 3.35Å; Y119-G123 PolarHBondContact O-N 2.67Å; Y119-R124 WeakPolarHBondContact CD2-O 3.36Å; Y119-V147 HydrophobicContact CE2-CB 4.13Å; Y119-V147 HydrophobicContact CE2-CG1 4.21Å |
| 120 | R | 95.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 29.8 Ų | 29.8 | 57% | 0.566 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -56 | -21.1 | 174.8 | -174.9 | 172.7 | 165.7 | -165 | -8.7 | 114.4 | D63 D64 K118 | D63-R120 HydrophobicContact CB-CB 3.83Å; D63-R120 HydrophobicContact CB-CG 4.12Å; D64-R120 IonicContact OD2-CZ 3.8Å; D64-R120 IonicContact OD2-NH1 3.83Å; D64-R120 PolarHBondContact OD2-NH1 2.87Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 3.2Å |
| 121 | L | 96.1 | Very high | 98 | Very high | 155 Ų | 155 | 30.3 Ų | 30.3 | 81% | 0.812 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -106.7 | -33 | 179.8 | -58.9 | 177.5 | 0 | 0 | 0 | 113.7 | K118 Y119 | K118-L121 WeakPolarHBondContact O-CA 3.45Å; K118-L121 WeakPolarHBondContact O-CB 3.37Å; K118-L121 PolarHBondContact O-N 2.63Å; Y119-L121 PolarHBondContact O-N 3.1Å |
| 122 | N | 97.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 34.5 Ų | 34.5 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -119 | -6.8 | -170.5 | 73.9 | 7.1 | 0 | 0 | 0 | 115.1 | H116 K118 Y119 R124 | H116-N122 PolarHBondContact ND1-ND2 2.95Å; K118-N122 PolarHBondContact O-N 3.29Å; K118-N122 PolarHBondContact O-OD1 3.4Å; Y119-N122 WeakPolarHBondContact CA-OD1 3.49Å; Y119-N122 PolarHBondContact O-N 2.93Å; N122-R124 HydrophobicContact CB-CG 4.48Å; N122-R124 PolarHBondContact O-N 3.01Å; N122-R124 VanDerWaalsContact O-N 3.11Å; N122-R124 PolarHBondContact OD1-N 3.18Å |
| 123 | G | 98 | Very high | 97.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | 68.3 | 2.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y119 K146 V147 | Y119-G123 VanDerWaalsContact CD2-C 3.43Å; Y119-G123 WeakPolarHBondContact CE2-O 3.18Å; Y119-G123 WeakPolarHBondContact O-CA 3.35Å; Y119-G123 PolarHBondContact O-N 2.67Å; G123-K146 CarbonylContact O-C 3.47Å; G123-K146 VanDerWaalsContact O-CA 3.3Å; G123-K146 WeakPolarHBondContact O-CA 3.37Å; G123-V147 PolarHBondContact O-N 3.43Å | ||
| 124 | R | 98.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 137.2 | -170.1 | -67.4 | 164.9 | 73.2 | -144.7 | 3.3 | 112.6 | H116 Y119 N122 E144 M145 K146 V221 D222 | H116-R124 HydrophobicContact CB-CB 4.07Å; H116-R124 WeakPolarHBondContact CB-O 3.34Å; H116-R124 PolarHBondContact N-O 2.88Å; Y119-R124 WeakPolarHBondContact CD2-O 3.36Å; N122-R124 HydrophobicContact CB-CG 4.48Å; N122-R124 PolarHBondContact O-N 3.01Å; N122-R124 VanDerWaalsContact O-N 3.11Å; N122-R124 PolarHBondContact OD1-N 3.18Å; R124-E144 IonicContact CZ-OE1 2.7Å; R124-E144 IonicContact CZ-OE2 3.99Å; R124-E144 VanDerWaalsContact NE-CD 3.26Å; R124-E144 IonicContact NE-OE1 2.66Å; R124-E144 PolarHBondContact NE-OE1 3.34Å; R124-E144 IonicContact NE-OE2 3.24Å; R124-E144 VanDerWaalsContact NH2-CD 3.34Å; R124-E144 IonicContact NH2-OE1 3.96Å; R124-E144 PolarHBondContact NH2-OE1 2.93Å; R124-E144 IonicContact NH2-OE2 3.1Å; R124-E144 PolarHBondContact NH2-OE2 3.1Å; R124-M145 WeakPolarHBondContact CA-O 3.45Å; R124-K146 HydrophobicContact CG-CG 4.12Å; R124-V221 PolarHBondContact NH2-O 3.31Å; R124-D222 IonicContact CZ-OD1 3.45Å; R124-D222 IonicContact NH1-OD1 2.73Å; R124-D222 PolarHBondContact NH1-OD1 2.86Å |
| 125 | F | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 164.5 | 168.9 | 67.5 | -90.2 | 0 | 0 | 0 | 110.1 | F91 L92 M113 A114 F115 I127 E144 M145 A155 | F91-F125 HydrophobicContact CD1-CZ 4.46Å; F91-F125 HydrophobicContact CE1-CD1 4Å; F91-F125 HydrophobicContact CE1-CD2 4.38Å; F91-F125 AromaticContact CE1-CE1 3.51Å; F91-F125 HydrophobicContact CE1-CE1 3.51Å; F91-F125 AromaticContact CE1-CE2 3.93Å; F91-F125 HydrophobicContact CE1-CE2 3.93Å; F91-F125 HydrophobicContact CE1-CG 4.41Å; F91-F125 AromaticContact CE1-CZ 3.47Å; F91-F125 HydrophobicContact CE1-CZ 3.47Å; F91-F125 VanDerWaalsContact CE1-CZ 3.47Å; F91-F125 AromaticContact CZ-CD1 3.84Å; F91-F125 HydrophobicContact CZ-CD1 3.84Å; F91-F125 AromaticContact CZ-CE1 3.47Å; F91-F125 HydrophobicContact CZ-CE1 3.47Å; F91-F125 VanDerWaalsContact CZ-CE1 3.47Å; F91-F125 AromaticContact CZ-CZ 3.94Å; F91-F125 HydrophobicContact CZ-CZ 3.94Å; L92-F125 HydrophobicContact CD2-CE2 4.27Å; M113-F125 HydrophobicContact CE-CB 4.18Å; M113-F125 HydrophobicContact CE-CD2 3.66Å; M113-F125 HydrophobicContact CE-CE2 4.16Å; M113-F125 HydrophobicContact CE-CG 3.95Å; M113-F125 HydrophobicContact CG-CD2 4.26Å; M113-F125 HydrophobicContact SD-CD2 4.36Å; A114-F125 CarbonylContact O-C 3.53Å; A114-F125 WeakPolarHBondContact O-CA 3.33Å; F115-F125 HydrophobicContact CD1-CB 3.71Å; F115-F125 HydrophobicContact CE1-CB 4.12Å; F115-F125 HydrophobicContact CE1-CG 4.47Å; F115-F125 HydrophobicContact CG-CB 4.41Å; F125-I127 HydrophobicContact CD2-CG2 4.02Å; F125-I127 HydrophobicContact CE2-CG2 3.84Å; F125-E144 CarbonylContact O-C 3.47Å; F125-E144 WeakPolarHBondContact O-CA 3.04Å; F125-M145 HydrophobicContact CD1-CB 4.38Å; F125-M145 HydrophobicContact CD2-CB 4.22Å; F125-M145 HydrophobicContact CE1-CB 3.8Å; F125-M145 HydrophobicContact CE2-CB 3.63Å; F125-M145 HydrophobicContact CE2-CG 4.2Å; F125-M145 HydrophobicContact CE2-SD 4.01Å; F125-M145 HydrophobicContact CZ-CB 3.38Å; F125-M145 HydrophobicContact CZ-CG 4.23Å; F125-M145 HydrophobicContact CZ-SD 4Å; F125-M145 PolarHBondContact N-O 3.06Å; F125-M145 PolarHBondContact O-N 2.95Å; F125-M145 VanDerWaalsContact O-O 3.11Å; F125-A155 HydrophobicContact CE1-CB 4Å; F125-A155 HydrophobicContact CZ-CB 3.67Å |
| 126 | F | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.3 | -175.2 | -59.2 | -95.7 | 0 | 0 | 0 | 109.1 | M113 A114 H116 S143 E144 I163 L178 F180 L186 V221 | M113-F126 CarbonylContact C-O 3.5Å; M113-F126 WeakPolarHBondContact CA-O 3.21Å; M113-F126 WeakPolarHBondContact CG-O 3.17Å; A114-F126 PolarHBondContact N-O 2.82Å; A114-F126 PolarHBondContact O-N 2.92Å; H116-F126 HydrophobicContact CB-CE2 4.21Å; H116-F126 AromaticContact CD2-CE2 3.82Å; F126-S143 CarbonylContact C-O 3.53Å; F126-S143 VanDerWaalsContact CA-O 3.25Å; F126-S143 WeakPolarHBondContact CA-O 3.23Å; F126-E144 HydrophobicContact CD1-CB 3.84Å; F126-E144 HydrophobicContact CD1-CG 4.26Å; F126-E144 HydrophobicContact CE1-CB 3.6Å; F126-E144 HydrophobicContact CE1-CG 3.72Å; F126-E144 HydrophobicContact CZ-CB 4.34Å; F126-E144 HydrophobicContact CZ-CG 3.94Å; F126-I163 HydrophobicContact CD1-CG1 4.36Å; F126-I163 HydrophobicContact CE1-CG1 4.39Å; F126-L178 HydrophobicContact CB-CD1 4.02Å; F126-F180 AromaticContact CD2-CE2 3.85Å; F126-F180 HydrophobicContact CD2-CE2 3.85Å; F126-F180 AromaticContact CD2-CZ 3.72Å; F126-F180 HydrophobicContact CD2-CZ 3.72Å; F126-F180 HydrophobicContact CE2-CE2 4.15Å; F126-F180 AromaticContact CE2-CZ 3.63Å; F126-F180 HydrophobicContact CE2-CZ 3.63Å; F126-F180 HydrophobicContact CZ-CZ 4.43Å; F126-L186 HydrophobicContact CB-CD2 4.27Å; F126-L186 HydrophobicContact CD1-CD2 3.89Å; F126-L186 HydrophobicContact CE1-CD2 4.47Å; F126-L186 HydrophobicContact CG-CD2 4Å; F126-V221 HydrophobicContact CD1-CG1 4.47Å; F126-V221 HydrophobicContact CE1-CB 3.85Å; F126-V221 HydrophobicContact CE1-CG1 3.78Å; F126-V221 HydrophobicContact CE1-CG2 4.14Å; F126-V221 HydrophobicContact CE2-CG2 4.16Å; F126-V221 HydrophobicContact CZ-CB 3.75Å; F126-V221 HydrophobicContact CZ-CG1 4.12Å; F126-V221 HydrophobicContact CZ-CG2 3.6Å |
| 127 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.6 | -175.8 | 48 | 165.1 | 0 | 0 | 0 | 110.4 | L92 M94 F110 G112 M113 F125 Y129 I142 S143 M145 | L92-I127 HydrophobicContact CD2-CG2 4.09Å; M94-I127 HydrophobicContact CE-CD1 3.7Å; M94-I127 HydrophobicContact SD-CD1 3.51Å; M94-I127 VanDerWaalsContact SD-CD1 3.51Å; F110-I127 HydrophobicContact CE2-CB 4.11Å; F110-I127 HydrophobicContact CE2-CG2 3.79Å; F110-I127 HydrophobicContact CZ-CB 4.45Å; F110-I127 HydrophobicContact CZ-CG2 3.88Å; G112-I127 CarbonylContact O-C 3.59Å; G112-I127 WeakPolarHBondContact O-CA 3.32Å; M113-I127 HydrophobicContact CG-CG2 4.12Å; F125-I127 HydrophobicContact CD2-CG2 4.02Å; F125-I127 HydrophobicContact CE2-CG2 3.84Å; I127-Y129 HydrophobicContact CD1-CD1 4.12Å; I127-Y129 HydrophobicContact CD1-CE1 3.77Å; I127-Y129 HydrophobicContact CG1-CD1 4.49Å; I127-Y129 HydrophobicContact CG1-CE1 4.42Å; I127-I142 VanDerWaalsContact O-CA 3.29Å; I127-I142 WeakPolarHBondContact O-CA 3.19Å; I127-S143 WeakPolarHBondContact CG1-O 3.43Å; I127-S143 PolarHBondContact N-O 3.24Å; I127-S143 PolarHBondContact O-N 3.24Å; I127-M145 HydrophobicContact CD1-CG 4.03Å; I127-M145 HydrophobicContact CD1-SD 3.63Å; I127-M145 HydrophobicContact CG1-CG 4.41Å; I127-M145 HydrophobicContact CG1-SD 4.45Å |
| 128 | Y | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 120.1 | 176.6 | -171.7 | -62.7 | 0 | 0 | 0 | 108.3 | L111 G112 I140 R141 I142 N174 G176 L178 I188 F189 T190 | L111-Y128 HydrophobicContact CB-CD1 4.11Å; L111-Y128 HydrophobicContact CD1-CD1 4.29Å; L111-Y128 HydrophobicContact CD1-CE1 4.08Å; L111-Y128 PolarHBondContact N-O 2.99Å; G112-Y128 PolarHBondContact N-O 2.96Å; G112-Y128 PolarHBondContact O-N 3.19Å; Y128-I140 HydrophobicContact CE1-CB 3.88Å; Y128-I140 HydrophobicContact CE1-CD1 4.37Å; Y128-I140 HydrophobicContact CE1-CG2 3.57Å; Y128-I140 HydrophobicContact CE2-CD1 4.25Å; Y128-I140 WeakPolarHBondContact OH-CD1 3.5Å; Y128-R141 WeakPolarHBondContact CA-O 3.33Å; Y128-I142 HydrophobicContact CD2-CD1 3.94Å; Y128-I142 HydrophobicContact CD2-CG1 3.55Å; Y128-I142 HydrophobicContact CE2-CD1 4Å; Y128-I142 HydrophobicContact CE2-CG1 4.11Å; Y128-I142 HydrophobicContact CG-CG1 4.2Å; Y128-N174 WeakPolarHBondContact CE1-O 3.43Å; Y128-N174 PolarHBondContact OH-O 2.93Å; Y128-G176 VanDerWaalsContact CE1-CA 3.42Å; Y128-L178 HydrophobicContact CD2-CD2 4.02Å; Y128-L178 HydrophobicContact CD2-CG 4.34Å; Y128-I188 HydrophobicContact CD2-CG2 3.93Å; Y128-I188 HydrophobicContact CE2-CG2 3.66Å; Y128-F189 PolarHBondContact OH-O 2.82Å; Y128-T190 HydrophobicContact CE2-CG2 4.45Å |
| 129 | Y | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.8 | -176.9 | 67.8 | -68.1 | 0 | 0 | 0 | 112.9 | M94 E97 V98 G109 I127 I131 R141 E160 | M94-Y129 HydrophobicContact CE-CD1 3.84Å; M94-Y129 HydrophobicContact CE-CD2 3.93Å; M94-Y129 HydrophobicContact CE-CE1 4.01Å; M94-Y129 HydrophobicContact CE-CE2 4.05Å; M94-Y129 HydrophobicContact CE-CG 3.8Å; M94-Y129 HydrophobicContact SD-CE1 4.49Å; E97-Y129 HydrophobicContact CB-CE2 4.15Å; V98-Y129 HydrophobicContact CG2-CD2 3.82Å; V98-Y129 HydrophobicContact CG2-CG 4.44Å; G109-Y129 CarbonylContact O-C 3.6Å; G109-Y129 VanDerWaalsContact O-CA 3.24Å; G109-Y129 WeakPolarHBondContact O-CA 3.41Å; G109-Y129 WeakPolarHBondContact O-CB 3.2Å; I127-Y129 HydrophobicContact CD1-CD1 4.12Å; I127-Y129 HydrophobicContact CD1-CE1 3.77Å; I127-Y129 HydrophobicContact CG1-CD1 4.49Å; I127-Y129 HydrophobicContact CG1-CE1 4.42Å; Y129-I131 HydrophobicContact CD2-CG2 3.59Å; Y129-I131 HydrophobicContact CE2-CG2 3.29Å; Y129-R141 HydrophobicContact CD1-CB 4.39Å; Y129-R141 HydrophobicContact CE1-CB 4.07Å; Y129-R141 HydrophobicContact CE1-CG 4.04Å; Y129-R141 PolarHBondContact N-O 3.39Å; Y129-R141 PolarHBondContact O-N 3.06Å; Y129-R141 WeakPolarHBondContact OH-CD 3.22Å; Y129-R141 PolarHBondContact OH-NH1 2.95Å; Y129-E160 PolarHBondContact OH-OE1 3.35Å |
| 130 | S | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.8 | 172.9 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | L99 R108 G109 K139 | L99-S130 WeakPolarHBondContact CB-O 3.29Å; L99-S130 PolarHBondContact N-O 2.78Å; R108-S130 WeakPolarHBondContact CA-OG 3.33Å; R108-S130 WeakPolarHBondContact CB-OG 3.36Å; G109-S130 PolarHBondContact N-OG 3.24Å; G109-S130 VanDerWaalsContact N-OG 3.16Å; G109-S130 PolarHBondContact O-N 2.9Å; S130-K139 CarbonylContact C-O 3.36Å; S130-K139 WeakPolarHBondContact CA-O 3.37Å |
| 131 | I | 97 | Very high | 95.5 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 166.7 | 173 | 64.1 | 171.8 | 0 | 0 | 0 | 109.9 | Y129 D138 K139 R141 | Y129-I131 HydrophobicContact CD2-CG2 3.59Å; Y129-I131 HydrophobicContact CE2-CG2 3.29Å; I131-D138 WeakPolarHBondContact O-CA 3.47Å; I131-K139 HydrophobicContact CD1-CB 4.26Å; I131-K139 HydrophobicContact CD1-CD 4.38Å; I131-K139 HydrophobicContact CG1-CB 3.79Å; I131-K139 PolarHBondContact N-O 3.24Å; I131-K139 PolarHBondContact O-N 2.75Å; I131-R141 HydrophobicContact CD1-CB 4.03Å; I131-R141 HydrophobicContact CG1-CB 4.39Å; I131-R141 HydrophobicContact CG2-CB 4.4Å |
| 132 | Q | 94.6 | Very high | 95.7 | Very high | 90 Ų | 90 | 36.5 Ų | 36.5 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 115.1 | 169 | -168.3 | 170 | 86.6 | 0 | 0 | 111.3 | L99 G135 D138 | L99-Q132 HydrophobicContact CD1-CB 4.22Å; L99-Q132 HydrophobicContact CD2-CB 4.11Å; Q132-G135 VanDerWaalsContact OE1-C 3.26Å; Q132-G135 PolarHBondContact OE1-O 3.14Å; Q132-D138 PolarHBondContact NE2-OD1 3.4Å |
| 133 | F | 91.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 34.1 Ų | 34.1 | 41% | 0.408 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.8 | 176.7 | -167.2 | -90.6 | 0 | 0 | 0 | 110.9 | G135 K136 V137 K139 | F133-G135 PolarHBondContact O-N 2.91Å; F133-K136 PolarHBondContact O-N 3.05Å; F133-V137 HydrophobicContact CB-CB 4.44Å; F133-V137 PolarHBondContact N-O 2.95Å; F133-V137 PolarHBondContact O-N 2.8Å; F133-K139 HydrophobicContact CB-CD 4.04Å |
| 134 | D | 88.6 | Confident | 95.7 | Very high | 126 Ų | 126 | 34.2 Ų | 34.2 | 67% | 0.674 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 24.6 | -177.3 | -74.3 | -10.3 | 0 | 0 | 0 | 115.8 | K136 | D134-K136 WeakPolarHBondContact O-CG 3.09Å; D134-K136 PolarHBondContact O-N 2.88Å |
| 135 | G | 85.1 | Confident | 95.7 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 56% | 0.557 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 23.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q132 F133 | Q132-G135 VanDerWaalsContact OE1-C 3.26Å; Q132-G135 PolarHBondContact OE1-O 3.14Å; F133-G135 PolarHBondContact O-N 2.91Å |
| 136 | K | 88 | Confident | 95.7 | Very high | 172 Ų | 172 | 38 Ų | 38 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -144.7 | -33.2 | -169.8 | -69.1 | 170.2 | -168 | 160.3 | 0 | 115.7 | F133 D134 | F133-K136 PolarHBondContact O-N 3.05Å; D134-K136 WeakPolarHBondContact O-CG 3.09Å; D134-K136 PolarHBondContact O-N 2.88Å |
| 137 | V | 91.6 | Very high | 95.7 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 106.1 | -174.3 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | F133 K139 E167 | F133-V137 HydrophobicContact CB-CB 4.44Å; F133-V137 PolarHBondContact N-O 2.95Å; F133-V137 PolarHBondContact O-N 2.8Å; V137-K139 HydrophobicContact CG1-CG 4.28Å; V137-E167 HydrophobicContact CG1-CB 4.24Å; V137-E167 HydrophobicContact CG1-CG 3.98Å |
| 138 | D | 95.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.6 | 170.2 | -71.9 | 16.2 | 0 | 0 | 0 | 108.7 | L99 R108 I131 Q132 E168 | L99-D138 HydrophobicContact CD2-CB 4.17Å; L99-D138 VanDerWaalsContact CD2-CG 3.43Å; L99-D138 WeakPolarHBondContact CD2-OD2 3.45Å; R108-D138 WeakPolarHBondContact CD-OD2 3.33Å; R108-D138 IonicContact CZ-OD2 3.75Å; R108-D138 IonicContact NE-OD2 3.99Å; R108-D138 IonicContact NH1-OD2 2.73Å; R108-D138 PolarHBondContact NH1-OD2 3.31Å; I131-D138 WeakPolarHBondContact O-CA 3.47Å; Q132-D138 PolarHBondContact NE2-OD1 3.4Å; D138-E168 HydrophobicContact CB-CB 4.3Å; D138-E168 PolarHBondContact O-N 3.18Å |
| 139 | K | 97.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.9 | 178.1 | -65.6 | 178.1 | 168.5 | 178.6 | 0 | 110 | S130 I131 F133 V137 E165 I166 E167 | S130-K139 CarbonylContact C-O 3.36Å; S130-K139 WeakPolarHBondContact CA-O 3.37Å; I131-K139 HydrophobicContact CD1-CB 4.26Å; I131-K139 HydrophobicContact CD1-CD 4.38Å; I131-K139 HydrophobicContact CG1-CB 3.79Å; I131-K139 PolarHBondContact N-O 3.24Å; I131-K139 PolarHBondContact O-N 2.75Å; F133-K139 HydrophobicContact CB-CD 4.04Å; V137-K139 HydrophobicContact CG1-CG 4.28Å; K139-E165 HydrophobicContact CD-CB 4.34Å; K139-E165 WeakPolarHBondContact CD-OE2 3.44Å; K139-E165 IonicContact NZ-OE2 2.71Å; K139-E165 PolarHBondContact NZ-OE2 3.29Å; K139-I166 CarbonylContact C-O 3.58Å; K139-I166 WeakPolarHBondContact CA-O 3.45Å; K139-I166 VanDerWaalsContact CB-O 3.31Å; K139-I166 WeakPolarHBondContact CB-O 3.47Å; K139-E167 HydrophobicContact CG-CG 4.11Å |
| 140 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.1 | 155 | 53.8 | 176.4 | 0 | 0 | 0 | 109 | Y128 E165 I166 E168 N174 T190 L213 | Y128-I140 HydrophobicContact CE1-CB 3.88Å; Y128-I140 HydrophobicContact CE1-CD1 4.37Å; Y128-I140 HydrophobicContact CE1-CG2 3.57Å; Y128-I140 HydrophobicContact CE2-CD1 4.25Å; Y128-I140 WeakPolarHBondContact OH-CD1 3.5Å; I140-E165 WeakPolarHBondContact O-CA 3.29Å; I140-I166 HydrophobicContact CD1-CB 3.98Å; I140-I166 HydrophobicContact CD1-CD1 3.81Å; I140-I166 HydrophobicContact CD1-CG1 4.35Å; I140-I166 HydrophobicContact CG1-CB 3.71Å; I140-I166 HydrophobicContact CG1-CD1 4.34Å; I140-I166 HydrophobicContact CG1-CG1 4.36Å; I140-I166 PolarHBondContact N-O 3.3Å; I140-I166 PolarHBondContact O-N 2.84Å; I140-E168 VanDerWaalsContact CD1-OE1 3.31Å; I140-E168 WeakPolarHBondContact CD1-OE1 3.38Å; I140-E168 HydrophobicContact CG1-CG 4.45Å; I140-E168 WeakPolarHBondContact CG1-OE1 3.31Å; I140-E168 HydrophobicContact CG2-CG 3.94Å; I140-N174 HydrophobicContact CG2-CB 4.35Å; I140-T190 HydrophobicContact CD1-CG2 3.74Å; I140-L213 HydrophobicContact CD1-CD2 4.48Å |
| 141 | R | 98.2 | Very high | 95.2 | Very high | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.7 | 172.2 | -178.9 | -177.4 | -80.1 | 167.7 | 5.3 | 109.5 | Y128 Y129 I131 S143 E160 V162 E165 | Y128-R141 WeakPolarHBondContact CA-O 3.33Å; Y129-R141 HydrophobicContact CD1-CB 4.39Å; Y129-R141 HydrophobicContact CE1-CB 4.07Å; Y129-R141 HydrophobicContact CE1-CG 4.04Å; Y129-R141 PolarHBondContact N-O 3.39Å; Y129-R141 PolarHBondContact O-N 3.06Å; Y129-R141 WeakPolarHBondContact OH-CD 3.22Å; Y129-R141 PolarHBondContact OH-NH1 2.95Å; I131-R141 HydrophobicContact CD1-CB 4.03Å; I131-R141 HydrophobicContact CG1-CB 4.39Å; I131-R141 HydrophobicContact CG2-CB 4.4Å; R141-S143 WeakPolarHBondContact CD-OG 3.37Å; R141-S143 WeakPolarHBondContact CG-OG 3.46Å; R141-E160 IonicContact NH1-OE1 3.92Å; R141-V162 HydrophobicContact CG-CG1 4.05Å; R141-E165 HydrophobicContact CB-CG 4.38Å; R141-E165 HydrophobicContact CG-CG 4.21Å; R141-E165 IonicContact CZ-OE1 3.29Å; R141-E165 VanDerWaalsContact CZ-OE1 3.29Å; R141-E165 IonicContact NE-OE1 2.91Å; R141-E165 PolarHBondContact NE-OE1 2.91Å; R141-E165 IonicContact NH2-OE1 2.78Å; R141-E165 PolarHBondContact NH2-OE1 2.77Å |
| 142 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.3 | 168.5 | -59.9 | 85.1 | 0 | 0 | 0 | 107.5 | I127 Y128 I163 L164 L178 I188 | I127-I142 VanDerWaalsContact O-CA 3.29Å; I127-I142 WeakPolarHBondContact O-CA 3.19Å; Y128-I142 HydrophobicContact CD2-CD1 3.94Å; Y128-I142 HydrophobicContact CD2-CG1 3.55Å; Y128-I142 HydrophobicContact CE2-CD1 4Å; Y128-I142 HydrophobicContact CE2-CG1 4.11Å; Y128-I142 HydrophobicContact CG-CG1 4.2Å; I142-I163 HydrophobicContact CG2-CB 4.46Å; I142-I163 WeakPolarHBondContact O-CA 3.37Å; I142-I163 WeakPolarHBondContact O-CB 3.48Å; I142-I163 PolarHBondContact O-N 3.24Å; I142-L164 HydrophobicContact CB-CB 4.36Å; I142-L164 HydrophobicContact CD1-CB 4.39Å; I142-L164 PolarHBondContact N-O 2.58Å; I142-L164 PolarHBondContact O-N 2.91Å; I142-L178 HydrophobicContact CG2-CD2 4.35Å; I142-I188 HydrophobicContact CD1-CG2 4.13Å; I142-I188 HydrophobicContact CG1-CD1 4.32Å; I142-I188 HydrophobicContact CG1-CG2 4Å; I142-I188 HydrophobicContact CG2-CD1 4.24Å |
| 143 | S | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.7 | -179.1 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | F126 I127 R141 E160 | F126-S143 CarbonylContact C-O 3.53Å; F126-S143 VanDerWaalsContact CA-O 3.25Å; F126-S143 WeakPolarHBondContact CA-O 3.23Å; I127-S143 WeakPolarHBondContact CG1-O 3.43Å; I127-S143 PolarHBondContact N-O 3.24Å; I127-S143 PolarHBondContact O-N 3.24Å; R141-S143 WeakPolarHBondContact CD-OG 3.37Å; R141-S143 WeakPolarHBondContact CG-OG 3.46Å; S143-E160 VanDerWaalsContact CB-OE1 3.24Å; S143-E160 WeakPolarHBondContact CB-OE1 3.42Å; S143-E160 PolarHBondContact OG-OE1 2.79Å |
| 144 | E | 98.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 144.7 | 164.8 | -179.9 | -176 | 144.8 | 0 | 0 | 109.5 | R124 F125 F126 E160 R161 I163 | R124-E144 IonicContact CZ-OE1 2.7Å; R124-E144 IonicContact CZ-OE2 3.99Å; R124-E144 VanDerWaalsContact NE-CD 3.26Å; R124-E144 IonicContact NE-OE1 2.66Å; R124-E144 PolarHBondContact NE-OE1 3.34Å; R124-E144 IonicContact NE-OE2 3.24Å; R124-E144 VanDerWaalsContact NH2-CD 3.34Å; R124-E144 IonicContact NH2-OE1 3.96Å; R124-E144 PolarHBondContact NH2-OE1 2.93Å; R124-E144 IonicContact NH2-OE2 3.1Å; R124-E144 PolarHBondContact NH2-OE2 3.1Å; F125-E144 CarbonylContact O-C 3.47Å; F125-E144 WeakPolarHBondContact O-CA 3.04Å; F126-E144 HydrophobicContact CD1-CB 3.84Å; F126-E144 HydrophobicContact CD1-CG 4.26Å; F126-E144 HydrophobicContact CE1-CB 3.6Å; F126-E144 HydrophobicContact CE1-CG 3.72Å; F126-E144 HydrophobicContact CZ-CB 4.34Å; F126-E144 HydrophobicContact CZ-CG 3.94Å; E144-E160 CarbonylContact O-C 3.57Å; E144-E160 WeakPolarHBondContact O-CA 3.46Å; E144-R161 HydrophobicContact CB-CB 4.37Å; E144-R161 PolarHBondContact N-O 2.99Å; E144-R161 PolarHBondContact O-N 3.37Å; E144-R161 IonicContact OE2-CZ 3.89Å; E144-R161 IonicContact OE2-NE 2.66Å; E144-R161 PolarHBondContact OE2-NE 3.36Å; E144-R161 IonicContact OE2-NH2 3.6Å; E144-R161 PolarHBondContact OE2-NH2 2.97Å; E144-I163 HydrophobicContact CB-CD1 3.87Å; E144-I163 HydrophobicContact CB-CG1 3.98Å |
| 145 | M | 98.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 172.4 | 169.7 | -62.2 | -170.8 | 86.9 | 0 | 0 | 109.9 | L92 M94 R124 F125 I127 E160 | L92-M145 HydrophobicContact CD1-CE 3.85Å; L92-M145 HydrophobicContact CD1-SD 3.81Å; L92-M145 HydrophobicContact CD2-SD 4.09Å; M94-M145 HydrophobicContact SD-SD 4.42Å; R124-M145 WeakPolarHBondContact CA-O 3.45Å; F125-M145 HydrophobicContact CD1-CB 4.38Å; F125-M145 HydrophobicContact CD2-CB 4.22Å; F125-M145 HydrophobicContact CE1-CB 3.8Å; F125-M145 HydrophobicContact CE2-CB 3.63Å; F125-M145 HydrophobicContact CE2-CG 4.2Å; F125-M145 HydrophobicContact CE2-SD 4.01Å; F125-M145 HydrophobicContact CZ-CB 3.38Å; F125-M145 HydrophobicContact CZ-CG 4.23Å; F125-M145 HydrophobicContact CZ-SD 4Å; F125-M145 PolarHBondContact N-O 3.06Å; F125-M145 PolarHBondContact O-N 2.95Å; F125-M145 VanDerWaalsContact O-O 3.11Å; I127-M145 HydrophobicContact CD1-CG 4.03Å; I127-M145 HydrophobicContact CD1-SD 3.63Å; I127-M145 HydrophobicContact CG1-CG 4.41Å; I127-M145 HydrophobicContact CG1-SD 4.45Å; M145-E160 HydrophobicContact CE-CB 4.37Å; M145-E160 HydrophobicContact CG-CB 4.35Å; M145-E160 HydrophobicContact CG-CG 4.15Å |
| 146 | K | 98.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.1 | 175 | -65.2 | 180 | -178.7 | 174.6 | 0 | 112.3 | G123 R124 A155 D156 S159 | G123-K146 CarbonylContact O-C 3.47Å; G123-K146 VanDerWaalsContact O-CA 3.3Å; G123-K146 WeakPolarHBondContact O-CA 3.37Å; R124-K146 HydrophobicContact CG-CG 4.12Å; K146-A155 WeakPolarHBondContact O-CA 3.4Å; K146-D156 PolarHBondContact O-N 2.76Å; K146-S159 PolarHBondContact N-OG 2.81Å; K146-S159 PolarHBondContact O-OG 2.83Å |
| 147 | V | 98.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 149.1 | 162 | 72.6 | 0 | 0 | 0 | 0 | 110.1 | F91 Y119 G123 M152 V154 | F91-V147 HydrophobicContact CE2-CG2 4.03Å; Y119-V147 HydrophobicContact CE2-CB 4.13Å; Y119-V147 HydrophobicContact CE2-CG1 4.21Å; G123-V147 PolarHBondContact O-N 3.43Å; V147-M152 WeakPolarHBondContact CG2-O 3.46Å; V147-V154 WeakPolarHBondContact CG2-O 3.44Å |
| 148 | S | 97.9 | Very high | 97.3 | Very high | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.5 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | G150 D151 V154 | S148-G150 PolarHBondContact O-N 2.81Å; S148-G150 PolarHBondContact OG-N 2.91Å; S148-D151 CarbonylContact O-C 3.48Å; S148-D151 PolarHBondContact O-N 3.04Å; S148-V154 VanDerWaalsContact CB-O 3.31Å; S148-V154 WeakPolarHBondContact CB-O 3.34Å; S148-V154 PolarHBondContact N-O 2.94Å |
| 149 | D | 94.8 | Very high | 97.4 | Very high | 181 Ų | 181 | 45 Ų | 45 | 97% | 0.968 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -27.5 | 171.2 | -62.2 | -40.1 | 0 | 0 | 0 | 112.6 | ||
| 150 | G | 94.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -26.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | S148 K455 | S148-G150 PolarHBondContact O-N 2.81Å; S148-G150 PolarHBondContact OG-N 2.91Å; G150-K455 WeakPolarHBondContact O-CE 3.45Å; G150-K455 PolarHBondContact O-NZ 3.22Å |
| 151 | D | 96.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 114.6 | -178.1 | -163.3 | -35.5 | 0 | 0 | 0 | 111.9 | S148 N153 V154 K455 | S148-D151 CarbonylContact O-C 3.48Å; S148-D151 PolarHBondContact O-N 3.04Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CB 3.39Å; D151-N153 PolarHBondContact OD1-N 2.98Å; D151-N153 PolarHBondContact OD1-ND2 3.36Å; D151-V154 HydrophobicContact CB-CB 4.31Å; D151-V154 HydrophobicContact CB-CG2 4.13Å; D151-V154 PolarHBondContact O-N 2.71Å; D151-V154 VanDerWaalsContact O-N 3.11Å; D151-K455 WeakPolarHBondContact OD2-CB 3.29Å; D151-K455 VanDerWaalsContact OD2-CD 3.28Å; D151-K455 WeakPolarHBondContact OD2-CD 3.49Å; D151-K455 WeakPolarHBondContact OD2-CG 3.4Å |
| 152 | M | 96.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 30% | 0.3 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -11.8 | -179.7 | 70.7 | -164.6 | -51 | 0 | 0 | 114.6 | T65 R67 V147 V452 K453 | T65-M152 HydrophobicContact CG2-CE 4.21Å; R67-M152 PolarHBondContact NH1-O 2.94Å; V147-M152 WeakPolarHBondContact CG2-O 3.46Å; M152-V452 HydrophobicContact SD-CG1 4.4Å; M152-K453 HydrophobicContact SD-CB 4.04Å |
| 153 | N | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 12.1 | -178.3 | -44.8 | -80.9 | 0 | 0 | 0 | 113.3 | R67 V79 L87 F91 D151 V452 K453 | R67-N153 PolarHBondContact NH1-OD1 3.47Å; V79-N153 HydrophobicContact CG2-CB 4.3Å; L87-N153 HydrophobicContact CD1-CB 3.62Å; F91-N153 WeakPolarHBondContact CA-O 3.4Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CB 3.39Å; D151-N153 PolarHBondContact OD1-N 2.98Å; D151-N153 PolarHBondContact OD1-ND2 3.36Å; N153-V452 VanDerWaalsContact OD1-CG1 3.32Å; N153-V452 WeakPolarHBondContact OD1-CG1 3.39Å; N153-K453 PolarHBondContact ND2-O 3.09Å |
| 154 | V | 98.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 131.9 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | V147 S148 D151 | V147-V154 WeakPolarHBondContact CG2-O 3.44Å; S148-V154 VanDerWaalsContact CB-O 3.31Å; S148-V154 WeakPolarHBondContact CB-O 3.34Å; S148-V154 PolarHBondContact N-O 2.94Å; D151-V154 HydrophobicContact CB-CB 4.31Å; D151-V154 HydrophobicContact CB-CG2 4.13Å; D151-V154 PolarHBondContact O-N 2.71Å; D151-V154 VanDerWaalsContact O-N 3.11Å |
| 155 | A | 98.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F91 L92 F125 K146 P157 | F91-A155 HydrophobicContact CD1-CB 4.49Å; F91-A155 HydrophobicContact CE1-CB 4.26Å; F91-A155 HydrophobicContact CZ-CB 4.41Å; F91-A155 WeakPolarHBondContact O-CB 3.44Å; F91-A155 PolarHBondContact O-N 3.26Å; L92-A155 HydrophobicContact CB-CB 4.39Å; L92-A155 HydrophobicContact CD1-CB 4.03Å; F125-A155 HydrophobicContact CE1-CB 4Å; F125-A155 HydrophobicContact CZ-CB 3.67Å; K146-A155 WeakPolarHBondContact O-CA 3.4Å; A155-P157 WeakPolarHBondContact O-CD 3.49Å |
| 156 | D | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 56 Ų | 56 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | trans | -79.1 | 112.9 | 166.5 | 174.1 | 19.4 | 0 | 0 | 0 | 109.4 | K146 Y158 S159 | K146-D156 PolarHBondContact O-N 2.76Å; D156-Y158 PolarHBondContact O-N 2.91Å; D156-Y158 PolarHBondContact OD1-N 2.86Å; D156-S159 WeakPolarHBondContact O-CB 3.28Å; D156-S159 PolarHBondContact O-N 2.87Å; D156-S159 VanDerWaalsContact O-N 3.14Å; D156-S159 PolarHBondContact O-OG 2.03Å | ||
| 157 | P | 94.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.9 | -179.3 | 30.2 | -36.7 | 0 | 0 | 0 | 113.2 | A155 | A155-P157 WeakPolarHBondContact O-CD 3.49Š|
| 158 | Y | 96.1 | Very high | 96.8 | Very high | 213 Ų | 213 | 56.7 Ų | 56.7 | 84% | 0.835 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.2 | 177.5 | -53.9 | -68.3 | 0 | 0 | 0 | 113.3 | D156 | D156-Y158 PolarHBondContact O-N 2.91Å; D156-Y158 PolarHBondContact OD1-N 2.86Å |
| 159 | S | 97.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | trans | -91.3 | 0.8 | -176.6 | 70.2 | 0 | 0 | 0 | 0 | 115.2 | K146 D156 R161 | K146-S159 PolarHBondContact N-OG 2.81Å; K146-S159 PolarHBondContact O-OG 2.83Å; D156-S159 WeakPolarHBondContact O-CB 3.28Å; D156-S159 PolarHBondContact O-N 2.87Å; D156-S159 VanDerWaalsContact O-N 3.14Å; D156-S159 PolarHBondContact O-OG 2.03Å; S159-R161 PolarHBondContact O-N 2.91Å | ||
| 160 | E | 97.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | trans | -64.6 | 127 | -175.2 | -159.3 | -158.8 | 153.2 | 0 | 0 | 111.9 | Y129 R141 S143 E144 M145 | Y129-E160 PolarHBondContact OH-OE1 3.35Å; R141-E160 IonicContact NH1-OE1 3.92Å; S143-E160 VanDerWaalsContact CB-OE1 3.24Å; S143-E160 WeakPolarHBondContact CB-OE1 3.42Å; S143-E160 PolarHBondContact OG-OE1 2.79Å; E144-E160 CarbonylContact O-C 3.57Å; E144-E160 WeakPolarHBondContact O-CA 3.46Å; M145-E160 HydrophobicContact CE-CB 4.37Å; M145-E160 HydrophobicContact CG-CB 4.35Å; M145-E160 HydrophobicContact CG-CG 4.15Å | ||
| 161 | R | 96.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 104.3 | 171.7 | -175.5 | 176.4 | 77.9 | 113.7 | 6.5 | 108.8 | E144 S159 I163 P230 | E144-R161 HydrophobicContact CB-CB 4.37Å; E144-R161 PolarHBondContact N-O 2.99Å; E144-R161 PolarHBondContact O-N 3.37Å; E144-R161 IonicContact OE2-CZ 3.89Å; E144-R161 IonicContact OE2-NE 2.66Å; E144-R161 PolarHBondContact OE2-NE 3.36Å; E144-R161 IonicContact OE2-NH2 3.6Å; E144-R161 PolarHBondContact OE2-NH2 2.97Å; S159-R161 PolarHBondContact O-N 2.91Å; R161-I163 HydrophobicContact CG-CD1 4.47Å; R161-I163 WeakPolarHBondContact O-CD1 3.23Å; R161-I163 PolarHBondContact O-N 2.97Å; R161-P230 VanDerWaalsContact NH1-CB 3.29Å; R161-P230 PolarHBondContact NH1-O 3.18Å; R161-P230 PolarHBondContact NH2-O 3.21Å |
| 162 | V | 96.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 126.3 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | R141 E165 P230 | R141-V162 HydrophobicContact CG-CG1 4.05Å; V162-E165 HydrophobicContact CG1-CG 4.03Å; V162-P230 WeakPolarHBondContact O-CG 3.49Å |
| 163 | I | 97 | Very high | 96.1 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -45.3 | 179.9 | -58.3 | -54.6 | 0 | 0 | 0 | 110 | F126 I142 E144 R161 I219 P230 Y231 | F126-I163 HydrophobicContact CD1-CG1 4.36Å; F126-I163 HydrophobicContact CE1-CG1 4.39Å; I142-I163 HydrophobicContact CG2-CB 4.46Å; I142-I163 WeakPolarHBondContact O-CA 3.37Å; I142-I163 WeakPolarHBondContact O-CB 3.48Å; I142-I163 PolarHBondContact O-N 3.24Å; E144-I163 HydrophobicContact CB-CD1 3.87Å; E144-I163 HydrophobicContact CB-CG1 3.98Å; R161-I163 HydrophobicContact CG-CD1 4.47Å; R161-I163 WeakPolarHBondContact O-CD1 3.23Å; R161-I163 PolarHBondContact O-N 2.97Å; I163-I219 HydrophobicContact CG2-CD1 3.62Å; I163-P230 HydrophobicContact CD1-CB 4Å; I163-P230 HydrophobicContact CD1-CG 4.36Å; I163-Y231 HydrophobicContact CG2-CD1 3.63Å; I163-Y231 HydrophobicContact CG2-CE1 4.37Å; I163-Y231 HydrophobicContact CG2-CG 4.28Å; I163-Y231 WeakPolarHBondContact O-CD1 3.35Å; I163-Y231 VanDerWaalsContact O-CE1 3.23Å; I163-Y231 WeakPolarHBondContact O-CE1 3.31Å |
| 164 | L | 96.1 | Very high | 95.9 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 141.7 | -177.4 | -174.5 | 61.9 | 0 | 0 | 0 | 110.9 | I142 I166 I188 L212 L217 | I142-L164 HydrophobicContact CB-CB 4.36Å; I142-L164 HydrophobicContact CD1-CB 4.39Å; I142-L164 PolarHBondContact N-O 2.58Å; I142-L164 PolarHBondContact O-N 2.91Å; L164-I166 HydrophobicContact CD2-CD1 3.96Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CD1 4.38Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; L164-I188 HydrophobicContact CD2-CD1 4.39Å; L164-L212 HydrophobicContact CD1-CD1 4.05Å; L164-L212 HydrophobicContact CD2-CD1 4.38Å; L164-L217 HydrophobicContact CD2-CD1 3.92Å |
| 165 | E | 97 | Very high | 95.8 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.4 | 164 | -68.1 | -168.3 | 164.2 | 0 | 0 | 109.2 | K139 I140 R141 V162 | K139-E165 HydrophobicContact CD-CB 4.34Å; K139-E165 WeakPolarHBondContact CD-OE2 3.44Å; K139-E165 IonicContact NZ-OE2 2.71Å; K139-E165 PolarHBondContact NZ-OE2 3.29Å; I140-E165 WeakPolarHBondContact O-CA 3.29Å; R141-E165 HydrophobicContact CB-CG 4.38Å; R141-E165 HydrophobicContact CG-CG 4.21Å; R141-E165 IonicContact CZ-OE1 3.29Å; R141-E165 VanDerWaalsContact CZ-OE1 3.29Å; R141-E165 IonicContact NE-OE1 2.91Å; R141-E165 PolarHBondContact NE-OE1 2.91Å; R141-E165 IonicContact NH2-OE1 2.78Å; R141-E165 PolarHBondContact NH2-OE1 2.77Å; V162-E165 HydrophobicContact CG1-CG 4.03Å |
| 166 | I | 97.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.2 | 174.1 | -50.8 | 165 | 0 | 0 | 0 | 107.6 | K139 I140 L164 T190 L212 L213 L217 | K139-I166 CarbonylContact C-O 3.58Å; K139-I166 WeakPolarHBondContact CA-O 3.45Å; K139-I166 VanDerWaalsContact CB-O 3.31Å; K139-I166 WeakPolarHBondContact CB-O 3.47Å; I140-I166 HydrophobicContact CD1-CB 3.98Å; I140-I166 HydrophobicContact CD1-CD1 3.81Å; I140-I166 HydrophobicContact CD1-CG1 4.35Å; I140-I166 HydrophobicContact CG1-CB 3.71Å; I140-I166 HydrophobicContact CG1-CD1 4.34Å; I140-I166 HydrophobicContact CG1-CG1 4.36Å; I140-I166 PolarHBondContact N-O 3.3Å; I140-I166 PolarHBondContact O-N 2.84Å; L164-I166 HydrophobicContact CD2-CD1 3.96Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CD1 4.38Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; I166-T190 HydrophobicContact CD1-CG2 3.88Å; I166-L212 HydrophobicContact CD1-CB 3.64Å; I166-L212 HydrophobicContact CD1-CD1 4.19Å; I166-L212 HydrophobicContact CG1-CB 3.98Å; I166-L212 HydrophobicContact CG1-CD1 3.95Å; I166-L212 HydrophobicContact CG2-CB 4.12Å; I166-L213 HydrophobicContact CG2-CD2 3.67Å; I166-L213 HydrophobicContact CG2-CG 3.82Å; I166-L217 HydrophobicContact CD1-CD1 4.15Å |
| 167 | E | 96.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 44.9 Ų | 44.9 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.5 | -179.7 | -63.9 | -178.5 | 165.8 | 0 | 0 | 110.9 | V137 K139 P169 | V137-E167 HydrophobicContact CG1-CB 4.24Å; V137-E167 HydrophobicContact CG1-CG 3.98Å; K139-E167 HydrophobicContact CG-CG 4.11Å; E167-P169 WeakPolarHBondContact O-CD 3.47Å |
| 168 | E | 94.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | trans | -96 | 111.3 | -177.5 | -68.1 | -69 | 131.9 | 0 | 0 | 109.6 | D138 I140 A170 N174 L213 | D138-E168 HydrophobicContact CB-CB 4.3Å; D138-E168 PolarHBondContact O-N 3.18Å; I140-E168 VanDerWaalsContact CD1-OE1 3.31Å; I140-E168 WeakPolarHBondContact CD1-OE1 3.38Å; I140-E168 HydrophobicContact CG1-CG 4.45Å; I140-E168 WeakPolarHBondContact CG1-OE1 3.31Å; I140-E168 HydrophobicContact CG2-CG 3.94Å; E168-A170 PolarHBondContact O-N 3.36Å; E168-N174 PolarHBondContact OE2-ND2 3.11Å; E168-L213 WeakPolarHBondContact OE1-CD2 3.25Å | ||
| 169 | P | 94.4 | Very high | 96 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -76.5 | 0.9 | -178.1 | 30.7 | -34.8 | 0 | 0 | 0 | 113.8 | E167 G193 K195 F200 L213 | E167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-G193 WeakPolarHBondContact CG-O 3.15Å; P169-K195 PolarHBondContact O-NZ 2.91Å; P169-F200 HydrophobicContact CB-CD1 4.15Å; P169-F200 HydrophobicContact CB-CE1 3.57Å; P169-F200 HydrophobicContact CB-CE2 4.33Å; P169-F200 HydrophobicContact CB-CZ 3.67Å; P169-F200 HydrophobicContact CG-CD1 4.15Å; P169-F200 HydrophobicContact CG-CD2 4.04Å; P169-F200 HydrophobicContact CG-CE1 3.75Å; P169-F200 HydrophobicContact CG-CE2 3.61Å; P169-F200 HydrophobicContact CG-CG 4.3Å; P169-F200 HydrophobicContact CG-CZ 3.45Å; P169-F200 VanDerWaalsContact CG-CZ 3.45Å; P169-L213 HydrophobicContact CG-CD1 4.13Å |
| 170 | A | 92.6 | Very high | 96 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -152.7 | 169.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E168 N172 G193 K195 | E168-A170 PolarHBondContact O-N 3.36Å; A170-N172 PolarHBondContact O-N 3.29Å; A170-G193 WeakPolarHBondContact CB-O 3.49Å; A170-G193 PolarHBondContact N-O 2.94Å; A170-G193 VanDerWaalsContact N-O 3.09Å; A170-K195 HydrophobicContact CB-CD 4.38Å; A170-K195 HydrophobicContact CB-CG 3.92Å |
| 171 | A | 89.8 | Confident | 96 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 36% | 0.355 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -84.8 | 22.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 172 | N | 93.3 | Very high | 96 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -158.7 | 162.1 | -167.3 | 106.4 | -81.5 | 0 | 0 | 0 | 110.9 | E107 A170 G193 G194 K195 | E107-N172 VanDerWaalsContact OE1-CB 3.26Å; E107-N172 WeakPolarHBondContact OE1-CB 3.39Å; E107-N172 PolarHBondContact OE1-ND2 2.89Å; A170-N172 PolarHBondContact O-N 3.29Å; N172-G193 CarbonylContact O-C 3.47Å; N172-G194 WeakPolarHBondContact O-CA 3.32Å; N172-G194 PolarHBondContact O-N 2.65Å; N172-G194 VanDerWaalsContact OD1-CA 3.28Å; N172-G194 WeakPolarHBondContact OD1-CA 3.45Å; N172-K195 PolarHBondContact OD1-N 2.89Å |
| 173 | H | 96.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | trans | 55.5 | 49 | -162.3 | -47.6 | 160.2 | 0 | 0 | 0 | 114.1 | E107 G175 G191 D192 G194 K195 R255 N256 | E107-H173 IonicContact OE1-CD2 2.71Å; E107-H173 PolarHBondContact OE1-N 3.35Å; E107-H173 VanDerWaalsContact OE2-CA 3.22Å; E107-H173 WeakPolarHBondContact OE2-CA 3.41Å; E107-H173 PolarHBondContact OE2-N 3.4Å; H173-G175 VanDerWaalsContact C-N 3.31Å; H173-G175 PolarHBondContact O-N 2.86Å; H173-G191 CarbonylContact O-C 3.52Å; H173-G191 WeakPolarHBondContact O-CA 3.22Å; H173-D192 WeakPolarHBondContact CB-OD1 3.48Å; H173-D192 IonicContact CE1-OD1 3.8Å; H173-D192 IonicContact CG-OD1 3.47Å; H173-D192 IonicContact ND1-OD1 2.71Å; H173-D192 PolarHBondContact ND1-OD1 2.71Å; H173-D192 IonicContact ND1-OD2 3.55Å; H173-G194 WeakPolarHBondContact ND1-CA 3.45Å; H173-K195 PolarHBondContact CE1-O 3.08Å; H173-R255 VanDerWaalsContact CE1-CZ 3.42Å; H173-R255 PolarHBondContact CE1-NH2 3.27Å; H173-R255 PolarHBondContact NE2-NH1 2.86Å; H173-R255 PolarHBondContact NE2-NH2 3.33Å; H173-N256 VanDerWaalsContact C-OD1 3.29Å; H173-N256 VanDerWaalsContact CA-CG 3.46Å; H173-N256 WeakPolarHBondContact CA-OD1 3.19Å; H173-N256 HydrophobicContact CB-CB 3.89Å | ||
| 174 | N | 95.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | trans | -85.3 | 2.5 | -174.2 | -52 | 124.4 | 0 | 0 | 0 | 113.9 | R108 L111 Y128 I140 E168 | R108-N174 WeakPolarHBondContact CG-OD1 3.33Å; L111-N174 HydrophobicContact CD1-CB 3.99Å; Y128-N174 WeakPolarHBondContact CE1-O 3.43Å; Y128-N174 PolarHBondContact OH-O 2.93Å; I140-N174 HydrophobicContact CG2-CB 4.35Å; E168-N174 PolarHBondContact OE2-ND2 3.11Å | ||
| 175 | G | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | 57.8 | -135.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H173 N256 W258 | H173-G175 VanDerWaalsContact C-N 3.31Å; H173-G175 PolarHBondContact O-N 2.86Å; G175-N256 PolarHBondContact N-OD1 3.38Å; G175-W258 VanDerWaalsContact O-CE3 3.31Å; G175-W258 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 176 | G | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | 125.3 | 3.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.5 | L111 G112 Y128 F189 | L111-G176 CarbonylContact C-O 3.42Å; G112-G176 WeakPolarHBondContact CA-O 3.44Å; G112-G176 PolarHBondContact N-O 3.05Å; Y128-G176 VanDerWaalsContact CE1-CA 3.42Å; G176-F189 PolarHBondContact N-O 2.7Å | ||
| 177 | Q | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | trans | -71.4 | 134.9 | 168.1 | -169.7 | 62.9 | 41.5 | 0 | 0 | 110.8 | L179 F189 C260 | Q177-L179 HydrophobicContact CG-CD2 4.23Å; Q177-F189 HydrophobicContact CB-CB 4.02Å; Q177-F189 HydrophobicContact CB-CD2 3.85Å; Q177-F189 HydrophobicContact CB-CG 4.09Å; Q177-F189 HydrophobicContact CG-CD2 4.15Å; Q177-F189 WeakPolarHBondContact O-CD2 3.28Å; Q177-F189 PolarHBondContact O-N 2.88Å; Q177-F189 VanDerWaalsContact O-N 3.12Å; Q177-C260 HydrophobicContact CG-CB 4.04Å | ||
| 178 | L | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.3 | 160.7 | -67.3 | -177.9 | 0 | 0 | 0 | 108.5 | A114 F126 Y128 I142 L186 I188 | A114-L178 HydrophobicContact CB-CB 3.77Å; F126-L178 HydrophobicContact CB-CD1 4.02Å; Y128-L178 HydrophobicContact CD2-CD2 4.02Å; Y128-L178 HydrophobicContact CD2-CG 4.34Å; I142-L178 HydrophobicContact CG2-CD2 4.35Å; L178-L186 HydrophobicContact CB-CD1 4.36Å; L178-L186 HydrophobicContact CD2-CD1 4.34Å; L178-I188 HydrophobicContact CD2-CB 4.15Å; L178-I188 HydrophobicContact CD2-CG1 3.8Å; L178-I188 HydrophobicContact CD2-CG2 3.97Å |
| 179 | L | 98.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.1 | 169 | 58.6 | 81.5 | 0 | 0 | 0 | 110.8 | Q177 Y187 F189 C260 V262 I276 | Q177-L179 HydrophobicContact CG-CD2 4.23Å; L179-Y187 HydrophobicContact CD1-CD2 4.24Å; L179-Y187 HydrophobicContact CD1-CG 4.12Å; L179-Y187 PolarHBondContact N-O 2.86Å; L179-Y187 PolarHBondContact O-N 3.34Å; L179-F189 HydrophobicContact CD1-CE2 4.35Å; L179-F189 HydrophobicContact CD2-CE2 4Å; L179-F189 HydrophobicContact CD2-CZ 4.35Å; L179-F189 HydrophobicContact CG-CE2 3.89Å; L179-C260 HydrophobicContact CD2-CB 4.04Å; L179-V262 HydrophobicContact CD1-CG2 3.69Å; L179-V262 HydrophobicContact CD2-CG2 4.15Å; L179-V262 HydrophobicContact CG-CG2 4.38Å; L179-I276 HydrophobicContact CD1-CD1 4.21Å; L179-I276 HydrophobicContact CD2-CG2 4.45Å |
| 180 | F | 98.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 20.7 Ų | 20.7 | 13% | 0.127 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.3 | 169.6 | -79.4 | -89.2 | 0 | 0 | 0 | 110.3 | A114 F115 H116 P117 F126 G184 Y185 L186 V221 | A114-F180 HydrophobicContact CB-CD2 4.15Å; A114-F180 HydrophobicContact CB-CE2 4.1Å; F115-F180 VanDerWaalsContact O-CD2 3.27Å; F115-F180 WeakPolarHBondContact O-CD2 3.33Å; F115-F180 WeakPolarHBondContact O-CE2 3.42Å; H116-F180 AromaticContact CD2-CE1 3.84Å; H116-F180 AromaticContact CD2-CZ 3.66Å; P117-F180 VanDerWaalsContact CD-CD1 3.47Å; P117-F180 HydrophobicContact CG-CB 3.65Å; P117-F180 HydrophobicContact CG-CD1 3.61Å; P117-F180 HydrophobicContact CG-CD2 4.19Å; P117-F180 HydrophobicContact CG-CE1 4.31Å; P117-F180 HydrophobicContact CG-CG 3.54Å; F126-F180 AromaticContact CD2-CE2 3.85Å; F126-F180 HydrophobicContact CD2-CE2 3.85Å; F126-F180 AromaticContact CD2-CZ 3.72Å; F126-F180 HydrophobicContact CD2-CZ 3.72Å; F126-F180 HydrophobicContact CE2-CE2 4.15Å; F126-F180 AromaticContact CE2-CZ 3.63Å; F126-F180 HydrophobicContact CE2-CZ 3.63Å; F126-F180 HydrophobicContact CZ-CZ 4.43Å; F180-G184 WeakPolarHBondContact CD1-O 3.29Å; F180-Y185 WeakPolarHBondContact CA-O 3.49Å; F180-Y185 WeakPolarHBondContact CD1-O 3.27Å; F180-L186 HydrophobicContact CD1-CB 4.38Å; F180-L186 HydrophobicContact CD2-CD1 4.26Å; F180-L186 HydrophobicContact CE1-CB 3.82Å; F180-L186 HydrophobicContact CE1-CD1 4.43Å; F180-L186 HydrophobicContact CE2-CD1 3.83Å; F180-L186 HydrophobicContact CZ-CB 3.99Å; F180-L186 HydrophobicContact CZ-CD1 3.92Å; F180-L186 HydrophobicContact CZ-CG 4.43Å; F180-V221 HydrophobicContact CE1-CG2 3.8Å; F180-V221 HydrophobicContact CZ-CG2 3.97Å |
| 181 | G | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 20 Ų | 20 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | trans | -71.3 | 166.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D183 G184 Y185 | G181-D183 WeakPolarHBondContact CA-OD1 3.06Å; G181-D183 PolarHBondContact O-N 2.89Å; G181-G184 PolarHBondContact O-N 2.79Å; G181-Y185 PolarHBondContact N-O 3.4Å | ||
| 182 | Q | 95.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 17.9 Ų | 17.9 | 43% | 0.43 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -7.8 | 176.8 | -56.7 | -157.3 | 15.9 | 0 | 0 | 113.4 | V262 D263 R273 | Q182-V262 HydrophobicContact CG-CG1 4.12Å; Q182-D263 PolarHBondContact NE2-O 3.15Å; Q182-R273 VanDerWaalsContact OE1-CZ 3.24Å |
| 183 | D | 95.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 15.5 Ų | 15.5 | 34% | 0.342 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -8 | 163.9 | 55.4 | 4.4 | 0 | 0 | 0 | 113.1 | G181 Y185 Y187 R218 | G181-D183 WeakPolarHBondContact CA-OD1 3.06Å; G181-D183 PolarHBondContact O-N 2.89Å; D183-Y185 HydrophobicContact CB-CD2 3.97Å; D183-Y185 HydrophobicContact CB-CE2 4.34Å; D183-Y185 PolarHBondContact OD1-N 3.15Å; D183-Y185 WeakPolarHBondContact OD2-CD2 3.39Å; D183-Y187 PolarHBondContact OD2-OH 2.83Å; D183-R218 IonicContact OD2-CZ 3.11Å; D183-R218 IonicContact OD2-NE 3.98Å; D183-R218 PolarHBondContact OD2-NE 3.41Å; D183-R218 IonicContact OD2-NH2 2.73Å; D183-R218 PolarHBondContact OD2-NH2 3.48Å |
| 184 | G | 96.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 15.1 Ų | 15.1 | 34% | 0.34 | 8% | 0.082 | S | C | . | . | S | Bend | trans | 85 | 4.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F180 G181 | F180-G184 WeakPolarHBondContact CD1-O 3.29Å; G181-G184 PolarHBondContact O-N 2.79Å |
| 185 | Y | 98.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 20% | 0.196 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 151.8 | 179.3 | -61.7 | -50.1 | 0 | 0 | 0 | 112.4 | F180 G181 D183 Y187 D220 P234 | F180-Y185 WeakPolarHBondContact CA-O 3.49Å; F180-Y185 WeakPolarHBondContact CD1-O 3.27Å; G181-Y185 PolarHBondContact N-O 3.4Å; D183-Y185 HydrophobicContact CB-CD2 3.97Å; D183-Y185 HydrophobicContact CB-CE2 4.34Å; D183-Y185 PolarHBondContact OD1-N 3.15Å; D183-Y185 WeakPolarHBondContact OD2-CD2 3.39Å; Y185-Y187 WeakPolarHBondContact O-CD2 3.34Å; Y185-D220 HydrophobicContact CD1-CB 3.77Å; Y185-D220 HydrophobicContact CE1-CB 3.63Å; Y185-P234 HydrophobicContact CD1-CG 4Å; Y185-P234 HydrophobicContact CD2-CB 4.03Å; Y185-P234 HydrophobicContact CD2-CG 3.88Å; Y185-P234 HydrophobicContact CE1-CB 4.37Å; Y185-P234 HydrophobicContact CE1-CG 4.13Å; Y185-P234 HydrophobicContact CE2-CB 3.7Å; Y185-P234 HydrophobicContact CE2-CG 4Å; Y185-P234 HydrophobicContact CG-CB 4.48Å; Y185-P234 HydrophobicContact CG-CG 3.87Å |
| 186 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123.2 | 176.1 | 178.8 | 63.8 | 0 | 0 | 0 | 109.1 | A114 F126 L178 F180 I188 R218 I219 V221 | A114-L186 HydrophobicContact CB-CD1 4.45Å; F126-L186 HydrophobicContact CB-CD2 4.27Å; F126-L186 HydrophobicContact CD1-CD2 3.89Å; F126-L186 HydrophobicContact CE1-CD2 4.47Å; F126-L186 HydrophobicContact CG-CD2 4Å; L178-L186 HydrophobicContact CB-CD1 4.36Å; L178-L186 HydrophobicContact CD2-CD1 4.34Å; F180-L186 HydrophobicContact CD1-CB 4.38Å; F180-L186 HydrophobicContact CD2-CD1 4.26Å; F180-L186 HydrophobicContact CE1-CB 3.82Å; F180-L186 HydrophobicContact CE1-CD1 4.43Å; F180-L186 HydrophobicContact CE2-CD1 3.83Å; F180-L186 HydrophobicContact CZ-CB 3.99Å; F180-L186 HydrophobicContact CZ-CD1 3.92Å; F180-L186 HydrophobicContact CZ-CG 4.43Å; L186-I188 HydrophobicContact CD2-CG1 4.38Å; L186-I188 HydrophobicContact CG-CG1 4.19Å; L186-R218 WeakPolarHBondContact O-CA 3.48Å; L186-I219 HydrophobicContact CB-CG1 4.17Å; L186-I219 HydrophobicContact CD2-CD1 4.39Å; L186-I219 PolarHBondContact N-O 3.33Å; L186-I219 PolarHBondContact O-N 2.71Å; L186-V221 HydrophobicContact CB-CG1 3.94Å; L186-V221 HydrophobicContact CB-CG2 4.47Å; L186-V221 HydrophobicContact CD2-CG1 3.86Å |
| 187 | Y | 98.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.2 | 171.3 | -70.4 | -114.3 | 0 | 0 | 0 | 109.7 | L179 D183 Y185 V216 L217 R218 F250 I276 | L179-Y187 HydrophobicContact CD1-CD2 4.24Å; L179-Y187 HydrophobicContact CD1-CG 4.12Å; L179-Y187 PolarHBondContact N-O 2.86Å; L179-Y187 PolarHBondContact O-N 3.34Å; D183-Y187 PolarHBondContact OD2-OH 2.83Å; Y185-Y187 WeakPolarHBondContact O-CD2 3.34Å; Y187-V216 HydrophobicContact CD1-CG1 3.88Å; Y187-L217 VanDerWaalsContact CA-O 3.27Å; Y187-L217 WeakPolarHBondContact CA-O 3.48Å; Y187-R218 HydrophobicContact CD1-CB 4.34Å; Y187-R218 HydrophobicContact CD1-CG 4.44Å; Y187-R218 HydrophobicContact CD2-CG 4.24Å; Y187-R218 HydrophobicContact CE1-CB 4.3Å; Y187-R218 HydrophobicContact CE1-CG 4.11Å; Y187-R218 HydrophobicContact CE2-CG 3.86Å; Y187-R218 VanDerWaalsContact CZ-CD 3.46Å; Y187-R218 WeakPolarHBondContact OH-CD 3.17Å; Y187-R218 PolarHBondContact OH-NE 3Å; Y187-F250 HydrophobicContact CD1-CD1 4.45Å; Y187-F250 AromaticContact CE1-CD1 3.78Å; Y187-F250 HydrophobicContact CE1-CD1 3.78Å; Y187-F250 HydrophobicContact CE1-CD2 4.43Å; Y187-F250 AromaticContact CE1-CE1 3.76Å; Y187-F250 HydrophobicContact CE1-CE1 3.76Å; Y187-F250 HydrophobicContact CE1-CE2 4.39Å; Y187-F250 HydrophobicContact CE1-CG 4.11Å; Y187-F250 HydrophobicContact CE1-CZ 4.05Å; Y187-I276 HydrophobicContact CD1-CD1 3.71Å; Y187-I276 HydrophobicContact CE1-CD1 3.57Å; Y187-I276 HydrophobicContact CE2-CD1 4.48Å; Y187-I276 HydrophobicContact CG-CD1 4.21Å |
| 188 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.8 | -177.2 | -49.8 | 171.5 | 0 | 0 | 0 | 107.9 | Y128 I142 L164 L178 L186 T190 L217 I219 | Y128-I188 HydrophobicContact CD2-CG2 3.93Å; Y128-I188 HydrophobicContact CE2-CG2 3.66Å; I142-I188 HydrophobicContact CD1-CG2 4.13Å; I142-I188 HydrophobicContact CG1-CD1 4.32Å; I142-I188 HydrophobicContact CG1-CG2 4Å; I142-I188 HydrophobicContact CG2-CD1 4.24Å; L164-I188 HydrophobicContact CD2-CD1 4.39Å; L178-I188 HydrophobicContact CD2-CB 4.15Å; L178-I188 HydrophobicContact CD2-CG1 3.8Å; L178-I188 HydrophobicContact CD2-CG2 3.97Å; L186-I188 HydrophobicContact CD2-CG1 4.38Å; L186-I188 HydrophobicContact CG-CG1 4.19Å; I188-T190 HydrophobicContact CG2-CG2 4.25Å; I188-L217 HydrophobicContact CB-CB 4.2Å; I188-L217 PolarHBondContact N-O 2.96Å; I188-L217 PolarHBondContact O-N 3.45Å; I188-I219 HydrophobicContact CD1-CD1 3.85Å; I188-I219 HydrophobicContact CD1-CG1 4.27Å |
| 189 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.5 | -175.4 | -64.9 | -99.4 | 0 | 0 | 0 | 109.9 | Y128 G176 Q177 L179 V216 M257 C260 I276 C278 I292 | Y128-F189 PolarHBondContact OH-O 2.82Å; G176-F189 PolarHBondContact N-O 2.7Å; Q177-F189 HydrophobicContact CB-CB 4.02Å; Q177-F189 HydrophobicContact CB-CD2 3.85Å; Q177-F189 HydrophobicContact CB-CG 4.09Å; Q177-F189 HydrophobicContact CG-CD2 4.15Å; Q177-F189 WeakPolarHBondContact O-CD2 3.28Å; Q177-F189 PolarHBondContact O-N 2.88Å; Q177-F189 VanDerWaalsContact O-N 3.12Å; L179-F189 HydrophobicContact CD1-CE2 4.35Å; L179-F189 HydrophobicContact CD2-CE2 4Å; L179-F189 HydrophobicContact CD2-CZ 4.35Å; L179-F189 HydrophobicContact CG-CE2 3.89Å; F189-V216 HydrophobicContact CD1-CB 4.39Å; F189-V216 HydrophobicContact CD1-CG1 4.07Å; F189-V216 HydrophobicContact CD1-CG2 3.68Å; F189-V216 HydrophobicContact CE1-CB 4.16Å; F189-V216 HydrophobicContact CE1-CG1 3.53Å; F189-V216 HydrophobicContact CE1-CG2 3.55Å; F189-V216 HydrophobicContact CE2-CG1 4.32Å; F189-V216 HydrophobicContact CZ-CG1 3.67Å; F189-M257 HydrophobicContact CD1-CB 4.36Å; F189-M257 HydrophobicContact CD1-SD 4.25Å; F189-C260 HydrophobicContact CD1-CB 4.39Å; F189-C260 WeakPolarHBondContact CD1-SG 3.44Å; F189-C260 HydrophobicContact CE1-CB 4.11Å; F189-C260 VanDerWaalsContact CE1-SG 3.52Å; F189-C260 HydrophobicContact CE2-CB 4.41Å; F189-C260 HydrophobicContact CZ-CB 4.13Å; F189-I276 HydrophobicContact CE1-CG2 4.34Å; F189-I276 HydrophobicContact CZ-CG2 3.91Å; F189-C278 WeakPolarHBondContact CE1-SG 3.44Å; F189-I292 HydrophobicContact CE1-CG1 4.28Å |
| 190 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.3 | -175.9 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | Y128 I140 I166 I188 L212 G214 K215 L217 | Y128-T190 HydrophobicContact CE2-CG2 4.45Å; I140-T190 HydrophobicContact CD1-CG2 3.74Å; I166-T190 HydrophobicContact CD1-CG2 3.88Å; I188-T190 HydrophobicContact CG2-CG2 4.25Å; T190-L212 WeakPolarHBondContact CB-O 3.46Å; T190-L212 PolarHBondContact OG1-O 3.32Å; T190-G214 VanDerWaalsContact O-CA 3.31Å; T190-G214 WeakPolarHBondContact O-CA 3.45Å; T190-G214 PolarHBondContact O-N 3.34Å; T190-K215 PolarHBondContact N-O 3.35Å; T190-K215 PolarHBondContact O-N 3.34Å; T190-K215 VanDerWaalsContact O-N 3.12Å; T190-K215 PolarHBondContact OG1-N 3.23Å; T190-K215 PolarHBondContact OG1-O 3.46Å; T190-L217 HydrophobicContact CG2-CD1 4.37Å |
| 191 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -73.7 | 172.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H173 G193 L213 G214 R255 | H173-G191 CarbonylContact O-C 3.52Å; H173-G191 WeakPolarHBondContact O-CA 3.22Å; G191-G193 PolarHBondContact O-N 2.73Å; G191-L213 CarbonylContact O-C 3.57Å; G191-L213 WeakPolarHBondContact O-CA 3.22Å; G191-L213 WeakPolarHBondContact O-CB 3.33Å; G191-G214 VanDerWaalsContact C-N 3.26Å; G191-G214 PolarHBondContact O-N 2.6Å; G191-R255 CarbonylContact C-O 3.48Å; G191-R255 WeakPolarHBondContact CA-O 3.37Å | ||
| 192 | D | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -70.2 | -6.1 | -172.7 | 68.1 | 11.4 | 0 | 0 | 0 | 114.9 | H173 G194 D198 N205 A206 R255 W300 | H173-D192 WeakPolarHBondContact CB-OD1 3.48Å; H173-D192 IonicContact CE1-OD1 3.8Å; H173-D192 IonicContact CG-OD1 3.47Å; H173-D192 IonicContact ND1-OD1 2.71Å; H173-D192 PolarHBondContact ND1-OD1 2.71Å; H173-D192 IonicContact ND1-OD2 3.55Å; D192-G194 WeakPolarHBondContact OD1-CA 3.4Å; D192-G194 PolarHBondContact OD1-N 2.61Å; D192-D198 HydrophobicContact CB-CB 4.34Å; D192-N205 WeakPolarHBondContact O-CB 3.42Å; D192-N205 PolarHBondContact O-ND2 3.37Å; D192-A206 HydrophobicContact CB-CB 4.37Å; D192-R255 PolarHBondContact N-O 3.18Å; D192-W300 PolarHBondContact OD2-NE1 2.9Å | ||
| 193 | G | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 88.8 | 10.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P169 A170 N172 G191 | P169-G193 WeakPolarHBondContact CG-O 3.15Å; A170-G193 WeakPolarHBondContact CB-O 3.49Å; A170-G193 PolarHBondContact N-O 2.94Å; A170-G193 VanDerWaalsContact N-O 3.09Å; N172-G193 CarbonylContact O-C 3.47Å; G191-G193 PolarHBondContact O-N 2.73Å | ||
| 194 | G | 94.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 96.1 | -171.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | N172 H173 D192 F200 | N172-G194 WeakPolarHBondContact O-CA 3.32Å; N172-G194 PolarHBondContact O-N 2.65Å; N172-G194 VanDerWaalsContact OD1-CA 3.28Å; N172-G194 WeakPolarHBondContact OD1-CA 3.45Å; H173-G194 WeakPolarHBondContact ND1-CA 3.45Å; D192-G194 WeakPolarHBondContact OD1-CA 3.4Å; D192-G194 PolarHBondContact OD1-N 2.61Å; G194-F200 WeakPolarHBondContact O-CE2 3.31Å |
| 195 | K | 94 | Very high | 95.6 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 65.3 | 167.4 | -172.5 | -56.4 | 165.9 | -175.8 | 142.9 | 0 | 113.1 | P169 A170 N172 H173 G197 P199 F200 | P169-K195 PolarHBondContact O-NZ 2.91Å; A170-K195 HydrophobicContact CB-CD 4.38Å; A170-K195 HydrophobicContact CB-CG 3.92Å; N172-K195 PolarHBondContact OD1-N 2.89Å; H173-K195 PolarHBondContact CE1-O 3.08Å; K195-G197 PolarHBondContact O-N 2.98Å; K195-P199 HydrophobicContact CB-CG 3.99Å; K195-P199 HydrophobicContact CD-CG 4.15Å; K195-F200 HydrophobicContact CD-CE1 4.19Å; K195-F200 HydrophobicContact CD-CZ 3.86Å; K195-F200 HydrophobicContact CG-CZ 4.46Å |
| 196 | A | 94.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 59% | 0.587 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 122 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 197 | G | 94.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 39 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | K195 R301 Y309 | K195-G197 PolarHBondContact O-N 2.98Å; G197-R301 WeakPolarHBondContact O-CD 3.37Å; G197-Y309 WeakPolarHBondContact CA-OH 3.36Å |
| 198 | D | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 36.8 | 70.6 | 172.3 | -175.4 | -0.2 | 0 | 0 | 0 | 113 | D192 F200 G204 N205 A206 W300 R301 | D192-D198 HydrophobicContact CB-CB 4.34Å; D198-F200 PolarHBondContact O-N 2.93Å; D198-F200 VanDerWaalsContact OD1-CD2 3.31Å; D198-F200 WeakPolarHBondContact OD1-CD2 3.43Å; D198-G204 WeakPolarHBondContact O-CA 3.11Å; D198-G204 WeakPolarHBondContact OD1-CA 3.44Å; D198-G204 WeakPolarHBondContact OD2-CA 3.43Å; D198-N205 PolarHBondContact OD1-N 2.96Å; D198-N205 PolarHBondContact OD2-N 2.84Å; D198-A206 WeakPolarHBondContact OD2-CB 3.5Å; D198-A206 PolarHBondContact OD2-N 2.9Å; D198-W300 HydrophobicContact CB-CZ2 4.3Å; D198-R301 HydrophobicContact CB-CB 4.21Å; D198-R301 HydrophobicContact CB-CG 4.33Å; D198-R301 PolarHBondContact O-NH1 2.89Å | ||
| 199 | P | 95.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 38 Ų | 38 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | trans | -76.4 | 11.3 | -169.5 | 31.9 | -36.8 | 0 | 0 | 0 | 113.6 | K195 G201 | K195-P199 HydrophobicContact CB-CG 3.99Å; K195-P199 HydrophobicContact CD-CG 4.15Å; P199-G201 PolarHBondContact O-N 2.87Å | ||
| 200 | F | 94.6 | Very high | 95 | Very high | 38 Ų | 38 | 40.6 Ų | 40.6 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.9 | 106 | -166.7 | -54.3 | -59.3 | 0 | 0 | 0 | 112.1 | P169 G194 K195 D198 G204 N205 | P169-F200 HydrophobicContact CB-CD1 4.15Å; P169-F200 HydrophobicContact CB-CE1 3.57Å; P169-F200 HydrophobicContact CB-CE2 4.33Å; P169-F200 HydrophobicContact CB-CZ 3.67Å; P169-F200 HydrophobicContact CG-CD1 4.15Å; P169-F200 HydrophobicContact CG-CD2 4.04Å; P169-F200 HydrophobicContact CG-CE1 3.75Å; P169-F200 HydrophobicContact CG-CE2 3.61Å; P169-F200 HydrophobicContact CG-CG 4.3Å; P169-F200 HydrophobicContact CG-CZ 3.45Å; P169-F200 VanDerWaalsContact CG-CZ 3.45Å; G194-F200 WeakPolarHBondContact O-CE2 3.31Å; K195-F200 HydrophobicContact CD-CE1 4.19Å; K195-F200 HydrophobicContact CD-CZ 3.86Å; K195-F200 HydrophobicContact CG-CZ 4.46Å; D198-F200 PolarHBondContact O-N 2.93Å; D198-F200 VanDerWaalsContact OD1-CD2 3.31Å; D198-F200 WeakPolarHBondContact OD1-CD2 3.43Å; F200-G204 CarbonylContact O-C 3.23Å; F200-G204 VanDerWaalsContact O-C 3.23Å; F200-G204 WeakPolarHBondContact O-CA 3.35Å; F200-G204 PolarHBondContact O-N 2.83Å; F200-N205 HydrophobicContact CB-CB 4.43Å; F200-N205 HydrophobicContact CD2-CB 4.5Å; F200-N205 WeakPolarHBondContact CD2-ND2 3.14Å; F200-N205 PolarHBondContact O-N 2.85Å |
| 201 | G | 90.1 | Very high | 95 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -160.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P199 Y203 | P199-G201 PolarHBondContact O-N 2.87Å; G201-Y203 PolarHBondContact O-N 2.93Å |
| 202 | K | 89 | Confident | 95 | Very high | 159 Ų | 159 | 42 Ų | 42 | 69% | 0.691 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.4 | -168.3 | -168.2 | -179.1 | 170.5 | -160.2 | 0 | 114.1 | ||
| 203 | Y | 89.3 | Confident | 95 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 2.8 | -171.5 | -45.2 | -59.8 | 0 | 0 | 0 | 113.7 | G201 L313 | G201-Y203 PolarHBondContact O-N 2.93Å; Y203-L313 HydrophobicContact CD1-CD2 3.85Å |
| 204 | G | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | 87.2 | 157.7 | -166 | 0 | 0 | 0 | 0 | 0 | 113.4 | D198 F200 A206 N208 | D198-G204 WeakPolarHBondContact O-CA 3.11Å; D198-G204 WeakPolarHBondContact OD1-CA 3.44Å; D198-G204 WeakPolarHBondContact OD2-CA 3.43Å; F200-G204 CarbonylContact O-C 3.23Å; F200-G204 VanDerWaalsContact O-C 3.23Å; F200-G204 WeakPolarHBondContact O-CA 3.35Å; F200-G204 PolarHBondContact O-N 2.83Å; G204-A206 VanDerWaalsContact C-N 3.32Å; G204-N208 VanDerWaalsContact O-CB 3.27Å; G204-N208 WeakPolarHBondContact O-CB 3.45Å; G204-N208 PolarHBondContact O-N 2.97Å | ||
| 205 | N | 97.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -41.8 | 169.5 | -83.4 | -22.3 | 0 | 0 | 0 | 111.9 | D192 D198 F200 Q207 N208 L213 K215 | D192-N205 WeakPolarHBondContact O-CB 3.42Å; D192-N205 PolarHBondContact O-ND2 3.37Å; D198-N205 PolarHBondContact OD1-N 2.96Å; D198-N205 PolarHBondContact OD2-N 2.84Å; F200-N205 HydrophobicContact CB-CB 4.43Å; F200-N205 HydrophobicContact CD2-CB 4.5Å; F200-N205 WeakPolarHBondContact CD2-ND2 3.14Å; F200-N205 PolarHBondContact O-N 2.85Å; N205-Q207 PolarHBondContact O-N 2.85Å; N205-N208 WeakPolarHBondContact O-CA 3.37Å; N205-N208 WeakPolarHBondContact O-CB 3.4Å; N205-N208 PolarHBondContact O-N 2.83Å; N205-L213 CarbonylContact C-O 3.54Å; N205-L213 HydrophobicContact CB-CB 4.02Å; N205-L213 WeakPolarHBondContact ND2-CD1 3.44Å; N205-K215 PolarHBondContact O-NZ 2.94Å |
| 206 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -45.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D192 D198 G204 K215 G253 V254 W300 | D192-A206 HydrophobicContact CB-CB 4.37Å; D198-A206 WeakPolarHBondContact OD2-CB 3.5Å; D198-A206 PolarHBondContact OD2-N 2.9Å; G204-A206 VanDerWaalsContact C-N 3.32Å; A206-K215 PolarHBondContact O-NZ 2.96Å; A206-G253 PolarHBondContact O-N 2.66Å; A206-V254 WeakPolarHBondContact CB-O 3.44Å; A206-W300 HydrophobicContact CB-CG 4.39Å; A206-W300 VanDerWaalsContact CB-O 3.27Å; A206-W300 WeakPolarHBondContact CB-O 3.49Å |
| 207 | Q | 96.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.5 | 172.5 | -67.3 | -57.9 | -57.5 | 0 | 0 | 113.7 | N205 R209 N297 W300 L319 | N205-Q207 PolarHBondContact O-N 2.85Å; Q207-R209 PolarHBondContact O-N 2.96Å; Q207-R209 VanDerWaalsContact O-N 3.14Å; Q207-N297 PolarHBondContact NE2-OD1 2.78Å; Q207-N297 PolarHBondContact OE1-ND2 2.92Å; Q207-W300 WeakPolarHBondContact CG-O 3.36Å; Q207-W300 PolarHBondContact NE2-O 2.94Å; Q207-L319 VanDerWaalsContact OE1-CD1 3.32Å |
| 208 | N | 96.2 | Very high | 96 | Very high | 65 Ų | 65 | 34.3 Ų | 34.3 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | trans | -75.5 | 100.4 | 177.3 | -177.9 | 9.5 | 0 | 0 | 0 | 111.3 | G204 N205 S210 A211 K215 | G204-N208 VanDerWaalsContact O-CB 3.27Å; G204-N208 WeakPolarHBondContact O-CB 3.45Å; G204-N208 PolarHBondContact O-N 2.97Å; N205-N208 WeakPolarHBondContact O-CA 3.37Å; N205-N208 WeakPolarHBondContact O-CB 3.4Å; N205-N208 PolarHBondContact O-N 2.83Å; N208-S210 PolarHBondContact O-N 2.8Å; N208-S210 WeakPolarHBondContact OD1-CB 3.31Å; N208-S210 PolarHBondContact OD1-N 2.82Å; N208-A211 HydrophobicContact CB-CB 4.19Å; N208-A211 WeakPolarHBondContact O-CB 3.35Å; N208-A211 PolarHBondContact O-N 2.86Å; N208-K215 WeakPolarHBondContact O-CE 3.29Å; N208-K215 PolarHBondContact O-NZ 2.71Å; N208-K215 VanDerWaalsContact O-NZ 3.13Å | ||
| 209 | R | 95.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 34.3 Ų | 34.3 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.2 | 178.1 | -58.1 | -179.7 | -54.8 | 137.2 | 17.5 | 113.7 | Q207 A211 F239 D242 A245 R246 Y252 | Q207-R209 PolarHBondContact O-N 2.96Å; Q207-R209 VanDerWaalsContact O-N 3.14Å; R209-A211 VanDerWaalsContact C-N 3.32Å; R209-F239 VanDerWaalsContact NH1-CE1 3.33Å; R209-D242 IonicContact CZ-OD2 3.14Å; R209-D242 IonicContact NH1-OD2 2.68Å; R209-D242 PolarHBondContact NH1-OD2 2.73Å; R209-D242 IonicContact NH2-OD1 3.58Å; R209-D242 IonicContact NH2-OD2 2.76Å; R209-D242 PolarHBondContact NH2-OD2 3.22Å; R209-A245 HydrophobicContact CB-CB 3.87Å; R209-A245 CarbonylContact O-C 3.55Å; R209-A245 WeakPolarHBondContact O-CA 3.4Å; R209-R246 PolarHBondContact O-N 3.32Å; R209-Y252 HydrophobicContact CG-CD1 4.21Å; R209-Y252 HydrophobicContact CG-CD2 3.98Å; R209-Y252 HydrophobicContact CG-CE1 4.31Å; R209-Y252 HydrophobicContact CG-CE2 4.08Å; R209-Y252 HydrophobicContact CG-CG 4.05Å |
| 210 | S | 96.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 31.8 Ų | 31.8 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.7 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 113.6 | N208 D244 R246 | N208-S210 PolarHBondContact O-N 2.8Å; N208-S210 WeakPolarHBondContact OD1-CB 3.31Å; N208-S210 PolarHBondContact OD1-N 2.82Å; S210-D244 PolarHBondContact OG-O 2.95Å; S210-R246 WeakPolarHBondContact O-CG 3.16Å |
| 211 | A | 97.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 13% | 0.132 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -94.2 | 159.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N208 R209 K215 | N208-A211 HydrophobicContact CB-CB 4.19Å; N208-A211 WeakPolarHBondContact O-CB 3.35Å; N208-A211 PolarHBondContact O-N 2.86Å; R209-A211 VanDerWaalsContact C-N 3.32Å; A211-K215 WeakPolarHBondContact O-CE 3.38Å |
| 212 | L | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -100.5 | -1.5 | 172.4 | -64.5 | 178.1 | 0 | 0 | 0 | 113.3 | L164 I166 T190 L217 R246 E248 | L164-L212 HydrophobicContact CD1-CD1 4.05Å; L164-L212 HydrophobicContact CD2-CD1 4.38Å; I166-L212 HydrophobicContact CD1-CB 3.64Å; I166-L212 HydrophobicContact CD1-CD1 4.19Å; I166-L212 HydrophobicContact CG1-CB 3.98Å; I166-L212 HydrophobicContact CG1-CD1 3.95Å; I166-L212 HydrophobicContact CG2-CB 4.12Å; T190-L212 WeakPolarHBondContact CB-O 3.46Å; T190-L212 PolarHBondContact OG1-O 3.32Å; L212-L217 HydrophobicContact CB-CD1 4.33Å; L212-L217 HydrophobicContact CD2-CD1 4.11Å; L212-L217 HydrophobicContact CD2-CD2 3.76Å; L212-R246 HydrophobicContact CD2-CB 3.72Å; L212-R246 HydrophobicContact CD2-CG 3.87Å; L212-R246 HydrophobicContact CG-CG 4.29Å; L212-E248 HydrophobicContact CD2-CB 4.04Å; L212-E248 HydrophobicContact CD2-CG 4.48Å |
| 213 | L | 98.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -95.8 | 145.1 | 177.4 | -65.9 | 174.2 | 0 | 0 | 0 | 111.1 | I140 I166 E168 P169 G191 N205 K215 | I140-L213 HydrophobicContact CD1-CD2 4.48Å; I166-L213 HydrophobicContact CG2-CD2 3.67Å; I166-L213 HydrophobicContact CG2-CG 3.82Å; E168-L213 WeakPolarHBondContact OE1-CD2 3.25Å; P169-L213 HydrophobicContact CG-CD1 4.13Å; G191-L213 CarbonylContact O-C 3.57Å; G191-L213 WeakPolarHBondContact O-CA 3.22Å; G191-L213 WeakPolarHBondContact O-CB 3.33Å; N205-L213 CarbonylContact C-O 3.54Å; N205-L213 HydrophobicContact CB-CB 4.02Å; N205-L213 WeakPolarHBondContact ND2-CD1 3.44Å; L213-K215 PolarHBondContact O-NZ 2.84Å |
| 214 | G | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 63.7 | 50.9 | -173 | 0 | 0 | 0 | 0 | 0 | 110.2 | T190 G191 G253 V254 | T190-G214 VanDerWaalsContact O-CA 3.31Å; T190-G214 WeakPolarHBondContact O-CA 3.45Å; T190-G214 PolarHBondContact O-N 3.34Å; G191-G214 VanDerWaalsContact C-N 3.26Å; G191-G214 PolarHBondContact O-N 2.6Å; G214-G253 PolarHBondContact O-N 3.36Å; G214-V254 VanDerWaalsContact CA-O 3.3Å; G214-V254 WeakPolarHBondContact CA-O 3.27Å |
| 215 | K | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.6 | -173.6 | -57.4 | -64.8 | 166.9 | -72.6 | 0 | 112.5 | T190 N205 A206 N208 A211 L213 L217 V249 V254 | T190-K215 PolarHBondContact N-O 3.35Å; T190-K215 PolarHBondContact O-N 3.34Å; T190-K215 VanDerWaalsContact O-N 3.12Å; T190-K215 PolarHBondContact OG1-N 3.23Å; T190-K215 PolarHBondContact OG1-O 3.46Å; N205-K215 PolarHBondContact O-NZ 2.94Å; A206-K215 PolarHBondContact O-NZ 2.96Å; N208-K215 WeakPolarHBondContact O-CE 3.29Å; N208-K215 PolarHBondContact O-NZ 2.71Å; N208-K215 VanDerWaalsContact O-NZ 3.13Å; A211-K215 WeakPolarHBondContact O-CE 3.38Å; L213-K215 PolarHBondContact O-NZ 2.84Å; K215-L217 HydrophobicContact CB-CD2 3.59Å; K215-L217 HydrophobicContact CB-CG 4.16Å; K215-L217 HydrophobicContact CG-CD2 4.07Å; K215-V249 HydrophobicContact CD-CG1 3.89Å; K215-V249 HydrophobicContact CD-CG2 3.86Å; K215-V249 HydrophobicContact CG-CG2 4.14Å; K215-V254 VanDerWaalsContact N-CG2 3.33Å |
| 216 | V | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.8 | 150.8 | -173.2 | 0 | 0 | 0 | 0 | 107.1 | Y187 F189 F250 A251 M257 I292 | Y187-V216 HydrophobicContact CD1-CG1 3.88Å; F189-V216 HydrophobicContact CD1-CB 4.39Å; F189-V216 HydrophobicContact CD1-CG1 4.07Å; F189-V216 HydrophobicContact CD1-CG2 3.68Å; F189-V216 HydrophobicContact CE1-CB 4.16Å; F189-V216 HydrophobicContact CE1-CG1 3.53Å; F189-V216 HydrophobicContact CE1-CG2 3.55Å; F189-V216 HydrophobicContact CE2-CG1 4.32Å; F189-V216 HydrophobicContact CZ-CG1 3.67Å; V216-F250 HydrophobicContact CG1-CD1 4.43Å; V216-F250 WeakPolarHBondContact O-CA 3.41Å; V216-F250 WeakPolarHBondContact O-CB 3.45Å; V216-F250 PolarHBondContact O-N 2.8Å; V216-A251 HydrophobicContact CB-CB 4.17Å; V216-A251 HydrophobicContact CG2-CB 4.39Å; V216-A251 PolarHBondContact N-O 2.86Å; V216-A251 PolarHBondContact O-N 3.46Å; V216-M257 HydrophobicContact CG2-SD 4.35Å; V216-I292 HydrophobicContact CB-CG2 4.35Å; V216-I292 HydrophobicContact CG1-CG2 4.29Å; V216-I292 HydrophobicContact CG2-CG2 3.97Å |
| 217 | L | 98.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 153.2 | 174.7 | -46.9 | 175.9 | 0 | 0 | 0 | 109.8 | L164 I166 Y187 I188 T190 L212 K215 E248 V249 | L164-L217 HydrophobicContact CD2-CD1 3.92Å; I166-L217 HydrophobicContact CD1-CD1 4.15Å; Y187-L217 VanDerWaalsContact CA-O 3.27Å; Y187-L217 WeakPolarHBondContact CA-O 3.48Å; I188-L217 HydrophobicContact CB-CB 4.2Å; I188-L217 PolarHBondContact N-O 2.96Å; I188-L217 PolarHBondContact O-N 3.45Å; T190-L217 HydrophobicContact CG2-CD1 4.37Å; L212-L217 HydrophobicContact CB-CD1 4.33Å; L212-L217 HydrophobicContact CD2-CD1 4.11Å; L212-L217 HydrophobicContact CD2-CD2 3.76Å; K215-L217 HydrophobicContact CB-CD2 3.59Å; K215-L217 HydrophobicContact CB-CG 4.16Å; K215-L217 HydrophobicContact CG-CD2 4.07Å; L217-E248 CarbonylContact C-O 3.52Å; L217-E248 VanDerWaalsContact CA-O 3.24Å; L217-E248 WeakPolarHBondContact CA-O 2.94Å; L217-E248 HydrophobicContact CD2-CB 4.24Å; L217-V249 HydrophobicContact CD2-CB 4.49Å; L217-V249 HydrophobicContact CD2-CG2 3.8Å |
| 218 | R | 98.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 38 Ų | 38 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 120.1 | 178.6 | -178.2 | -175.2 | 170.8 | -114.7 | 14.4 | 110.3 | D183 L186 Y187 P234 D236 N237 E248 F250 | D183-R218 IonicContact OD2-CZ 3.11Å; D183-R218 IonicContact OD2-NE 3.98Å; D183-R218 PolarHBondContact OD2-NE 3.41Å; D183-R218 IonicContact OD2-NH2 2.73Å; D183-R218 PolarHBondContact OD2-NH2 3.48Å; L186-R218 WeakPolarHBondContact O-CA 3.48Å; Y187-R218 HydrophobicContact CD1-CB 4.34Å; Y187-R218 HydrophobicContact CD1-CG 4.44Å; Y187-R218 HydrophobicContact CD2-CG 4.24Å; Y187-R218 HydrophobicContact CE1-CB 4.3Å; Y187-R218 HydrophobicContact CE1-CG 4.11Å; Y187-R218 HydrophobicContact CE2-CG 3.86Å; Y187-R218 VanDerWaalsContact CZ-CD 3.46Å; Y187-R218 WeakPolarHBondContact OH-CD 3.17Å; Y187-R218 PolarHBondContact OH-NE 3Å; R218-P234 HydrophobicContact CG-CG 4.33Å; R218-P234 WeakPolarHBondContact O-CD 3.1Å; R218-D236 IonicContact CZ-OD1 3.45Å; R218-D236 IonicContact CZ-OD2 3.53Å; R218-D236 IonicContact NH1-OD1 3.39Å; R218-D236 PolarHBondContact NH1-OD1 3.03Å; R218-D236 IonicContact NH1-OD2 3.52Å; R218-D236 IonicContact NH2-OD1 2.71Å; R218-D236 PolarHBondContact NH2-OD1 3.34Å; R218-D236 VanDerWaalsContact NH2-OD1 3.11Å; R218-D236 IonicContact NH2-OD2 2.75Å; R218-D236 PolarHBondContact NH2-OD2 3.46Å; R218-N237 PolarHBondContact NH1-OD1 3.18Å; R218-N237 PolarHBondContact O-ND2 2.69Å; R218-E248 PolarHBondContact N-O 3.18Å; R218-F250 HydrophobicContact CB-CB 3.7Å; R218-F250 HydrophobicContact CB-CD2 4.24Å; R218-F250 HydrophobicContact CB-CG 4.17Å; R218-F250 HydrophobicContact CG-CD2 4.44Å |
| 219 | I | 98.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.4 | -174 | 60.4 | 170.9 | 0 | 0 | 0 | 112.9 | I163 L186 I188 V221 Y231 E248 | I163-I219 HydrophobicContact CG2-CD1 3.62Å; L186-I219 HydrophobicContact CB-CG1 4.17Å; L186-I219 HydrophobicContact CD2-CD1 4.39Å; L186-I219 PolarHBondContact N-O 3.33Å; L186-I219 PolarHBondContact O-N 2.71Å; I188-I219 HydrophobicContact CD1-CD1 3.85Å; I188-I219 HydrophobicContact CD1-CG1 4.27Å; I219-V221 HydrophobicContact CD1-CG1 4.04Å; I219-V221 HydrophobicContact CG1-CG1 4.11Å; I219-Y231 HydrophobicContact CB-CD2 3.75Å; I219-Y231 HydrophobicContact CB-CE2 4.4Å; I219-Y231 HydrophobicContact CB-CG 4.21Å; I219-Y231 HydrophobicContact CD1-CD1 4.18Å; I219-Y231 HydrophobicContact CD1-CD2 4.18Å; I219-Y231 HydrophobicContact CD1-CG 3.86Å; I219-Y231 HydrophobicContact CG2-CD2 3.61Å; I219-Y231 HydrophobicContact CG2-CE2 3.73Å; I219-Y231 HydrophobicContact CG2-CG 4.37Å; I219-E248 HydrophobicContact CG2-CB 4.41Å; I219-E248 HydrophobicContact CG2-CG 4.26Å |
| 220 | D | 97.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 107.2 | 172.1 | 172.3 | 21.8 | 0 | 0 | 0 | 110 | Y185 D222 Y231 R232 P234 | Y185-D220 HydrophobicContact CD1-CB 3.77Å; Y185-D220 HydrophobicContact CE1-CB 3.63Å; D220-D222 PolarHBondContact OD1-N 3.45Å; D220-Y231 CarbonylContact O-C 3.58Å; D220-Y231 WeakPolarHBondContact O-CA 3.34Å; D220-Y231 WeakPolarHBondContact O-CB 3.36Å; D220-R232 HydrophobicContact CB-CB 3.95Å; D220-R232 PolarHBondContact N-O 2.86Å; D220-R232 PolarHBondContact O-N 2.83Å; D220-R232 IonicContact OD2-CZ 3.94Å; D220-R232 IonicContact OD2-NE 3.8Å; D220-R232 IonicContact OD2-NH1 3.6Å; D220-R232 PolarHBondContact OD2-NH1 3.11Å; D220-P234 HydrophobicContact CB-CG 4.4Å |
| 221 | V | 96.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | trans | -90.7 | -7.2 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | R124 F126 F180 L186 I219 G223 | R124-V221 PolarHBondContact NH2-O 3.31Å; F126-V221 HydrophobicContact CD1-CG1 4.47Å; F126-V221 HydrophobicContact CE1-CB 3.85Å; F126-V221 HydrophobicContact CE1-CG1 3.78Å; F126-V221 HydrophobicContact CE1-CG2 4.14Å; F126-V221 HydrophobicContact CE2-CG2 4.16Å; F126-V221 HydrophobicContact CZ-CB 3.75Å; F126-V221 HydrophobicContact CZ-CG1 4.12Å; F126-V221 HydrophobicContact CZ-CG2 3.6Å; F180-V221 HydrophobicContact CE1-CG2 3.8Å; F180-V221 HydrophobicContact CZ-CG2 3.97Å; L186-V221 HydrophobicContact CB-CG1 3.94Å; L186-V221 HydrophobicContact CB-CG2 4.47Å; L186-V221 HydrophobicContact CD2-CG1 3.86Å; I219-V221 HydrophobicContact CD1-CG1 4.04Å; I219-V221 HydrophobicContact CG1-CG1 4.11Å; V221-G223 VanDerWaalsContact C-N 3.34Å | ||
| 222 | D | 93.9 | Very high | 90.5 | Very high | 77 Ų | 77 | 39 Ų | 39 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -89.1 | -0.7 | -179 | -110.3 | 3 | 0 | 0 | 0 | 112.7 | H116 K118 R124 D220 | H116-D222 IonicContact CE1-OD1 2.88Å; H116-D222 PolarHBondContact CE1-OD1 2.86Å; H116-D222 VanDerWaalsContact CE1-OD1 3.27Å; H116-D222 IonicContact CE1-OD2 3.57Å; H116-D222 IonicContact NE2-OD1 3.34Å; H116-D222 PolarHBondContact NE2-OD1 2.85Å; H116-D222 IonicContact NE2-OD2 2.73Å; K118-D222 IonicContact NZ-OD2 2.71Å; K118-D222 PolarHBondContact NZ-OD2 3.15Å; R124-D222 IonicContact CZ-OD1 3.45Å; R124-D222 IonicContact NH1-OD1 2.73Å; R124-D222 PolarHBondContact NH1-OD1 2.86Å; D220-D222 PolarHBondContact OD1-N 3.45Å |
| 223 | G | 80.9 | Confident | 90.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -144.2 | 155.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V221 Y231 R232 | V221-G223 VanDerWaalsContact C-N 3.34Å; G223-Y231 CarbonylContact O-C 3.12Å; G223-R232 WeakPolarHBondContact O-CG 3.42Å; G223-R232 PolarHBondContact O-N 2.91Å |
| 224 | S | 73.3 | Confident | 90.3 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 59% | 0.587 | 24% | 0.239 | S | C | * | . | trans | -91.4 | 146.2 | 176 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | R232 | S224-R232 VanDerWaalsContact O-CD 3.32Å; S224-R232 WeakPolarHBondContact O-CD 3.34Å; S224-R232 VanDerWaalsContact O-CG 3.3Å; S224-R232 WeakPolarHBondContact O-CG 3.41Å | ||
| 225 | D | 78.5 | Confident | 90.1 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -77.8 | 145.8 | 176.5 | -170.8 | -94.2 | 0 | 0 | 0 | 111.9 | V227 G228 K229 Y231 R232 | D225-V227 PolarHBondContact O-N 3Å; D225-V227 VanDerWaalsContact O-N 3.13Å; D225-V227 WeakPolarHBondContact OD1-CB 3.5Å; D225-V227 WeakPolarHBondContact OD1-CG2 3.41Å; D225-V227 PolarHBondContact OD1-N 2.85Å; D225-G228 PolarHBondContact O-N 3.31Å; D225-K229 HydrophobicContact CB-CB 3.76Å; D225-K229 HydrophobicContact CB-CG 4.46Å; D225-K229 PolarHBondContact N-O 3.03Å; D225-K229 VanDerWaalsContact N-O 3.11Å; D225-Y231 WeakPolarHBondContact CB-O 3.47Å; D225-R232 HydrophobicContact CB-CG 4.34Å | ||
| 226 | P | 69.5 | Low | 90 | Very high | 126 Ų | 126 | 47.3 Ų | 47.3 | 82% | 0.818 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.4 | 176.2 | -26.2 | 36.1 | 0 | 0 | 0 | 115 | G228 | P226-G228 VanDerWaalsContact C-N 3.28Š|
| 227 | V | 74 | Confident | 90 | Very high | 135 Ų | 135 | 47.4 Ų | 47.4 | 82% | 0.818 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 11 | 176.4 | -160.1 | 0 | 0 | 0 | 0 | 111.6 | D225 | D225-V227 PolarHBondContact O-N 3Å; D225-V227 VanDerWaalsContact O-N 3.13Å; D225-V227 WeakPolarHBondContact OD1-CB 3.5Å; D225-V227 WeakPolarHBondContact OD1-CG2 3.41Å; D225-V227 PolarHBondContact OD1-N 2.85Å |
| 228 | G | 78 | Confident | 90 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 86.2 | 9.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | D225 P226 | D225-G228 PolarHBondContact O-N 3.31Å; P226-G228 VanDerWaalsContact C-N 3.28Å |
| 229 | K | 87.1 | Confident | 89.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | trans | -63.6 | 143.6 | 168.3 | -67.6 | -178 | 174.1 | 179.4 | 0 | 110.2 | D225 Y231 E248 | D225-K229 HydrophobicContact CB-CB 3.76Å; D225-K229 HydrophobicContact CB-CG 4.46Å; D225-K229 PolarHBondContact N-O 3.03Å; D225-K229 VanDerWaalsContact N-O 3.11Å; K229-Y231 WeakPolarHBondContact CB-O 3.48Å; K229-Y231 HydrophobicContact CD-CE1 4.47Å; K229-Y231 HydrophobicContact CD-CE2 4.06Å; K229-Y231 PolarHBondContact O-N 2.84Å; K229-Y231 VanDerWaalsContact O-N 3.15Å; K229-E248 IonicContact NZ-OE1 2.62Å; K229-E248 PolarHBondContact NZ-OE1 2.79Å | ||
| 230 | P | 91.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -72.3 | -3.7 | 180 | 29 | -34.3 | 0 | 0 | 0 | 114.3 | R161 V162 I163 | R161-P230 VanDerWaalsContact NH1-CB 3.29Å; R161-P230 PolarHBondContact NH1-O 3.18Å; R161-P230 PolarHBondContact NH2-O 3.21Å; V162-P230 WeakPolarHBondContact O-CG 3.49Å; I163-P230 HydrophobicContact CD1-CB 4Å; I163-P230 HydrophobicContact CD1-CG 4.36Å |
| 231 | Y | 95.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -138.3 | 162.6 | 176.3 | 63.3 | -90.8 | 0 | 0 | 0 | 109.6 | I163 I219 D220 G223 D225 K229 I233 E248 | I163-Y231 HydrophobicContact CG2-CD1 3.63Å; I163-Y231 HydrophobicContact CG2-CE1 4.37Å; I163-Y231 HydrophobicContact CG2-CG 4.28Å; I163-Y231 WeakPolarHBondContact O-CD1 3.35Å; I163-Y231 VanDerWaalsContact O-CE1 3.23Å; I163-Y231 WeakPolarHBondContact O-CE1 3.31Å; I219-Y231 HydrophobicContact CB-CD2 3.75Å; I219-Y231 HydrophobicContact CB-CE2 4.4Å; I219-Y231 HydrophobicContact CB-CG 4.21Å; I219-Y231 HydrophobicContact CD1-CD1 4.18Å; I219-Y231 HydrophobicContact CD1-CD2 4.18Å; I219-Y231 HydrophobicContact CD1-CG 3.86Å; I219-Y231 HydrophobicContact CG2-CD2 3.61Å; I219-Y231 HydrophobicContact CG2-CE2 3.73Å; I219-Y231 HydrophobicContact CG2-CG 4.37Å; D220-Y231 CarbonylContact O-C 3.58Å; D220-Y231 WeakPolarHBondContact O-CA 3.34Å; D220-Y231 WeakPolarHBondContact O-CB 3.36Å; G223-Y231 CarbonylContact O-C 3.12Å; D225-Y231 WeakPolarHBondContact CB-O 3.47Å; K229-Y231 WeakPolarHBondContact CB-O 3.48Å; K229-Y231 HydrophobicContact CD-CE1 4.47Å; K229-Y231 HydrophobicContact CD-CE2 4.06Å; K229-Y231 PolarHBondContact O-N 2.84Å; K229-Y231 VanDerWaalsContact O-N 3.15Å; Y231-I233 HydrophobicContact CE2-CD1 3.96Å; Y231-E248 HydrophobicContact CE2-CG 3.96Å; Y231-E248 PolarHBondContact OH-OE1 3.19Å |
| 232 | R | 95.3 | Very high | 89.6 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -105.9 | 162 | 171.4 | -72.3 | 164.8 | 70.1 | -133.3 | 9.1 | 111.8 | D220 G223 S224 D225 | D220-R232 HydrophobicContact CB-CB 3.95Å; D220-R232 PolarHBondContact N-O 2.86Å; D220-R232 PolarHBondContact O-N 2.83Å; D220-R232 IonicContact OD2-CZ 3.94Å; D220-R232 IonicContact OD2-NE 3.8Å; D220-R232 IonicContact OD2-NH1 3.6Å; D220-R232 PolarHBondContact OD2-NH1 3.11Å; G223-R232 WeakPolarHBondContact O-CG 3.42Å; G223-R232 PolarHBondContact O-N 2.91Å; S224-R232 VanDerWaalsContact O-CD 3.32Å; S224-R232 WeakPolarHBondContact O-CD 3.34Å; S224-R232 VanDerWaalsContact O-CG 3.3Å; S224-R232 WeakPolarHBondContact O-CG 3.41Å; D225-R232 HydrophobicContact CB-CG 4.34Å |
| 233 | I | 96.2 | Very high | 89.7 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | trans | -86.6 | 126.8 | 167.6 | -54.2 | -57.2 | 0 | 0 | 0 | 109 | Y231 N237 P247 E248 | Y231-I233 HydrophobicContact CE2-CD1 3.96Å; I233-N237 HydrophobicContact CG2-CB 4.05Å; I233-P247 HydrophobicContact CD1-CB 4.2Å; I233-P247 HydrophobicContact CD1-CG 4.13Å; I233-P247 HydrophobicContact CG1-CB 4.06Å; I233-P247 HydrophobicContact CG1-CG 4.17Å; I233-P247 HydrophobicContact CG2-CB 4.12Å; I233-P247 WeakPolarHBondContact CG2-O 3.39Å; I233-E248 HydrophobicContact CD1-CG 3.83Å | ||
| 234 | P | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.403 | C | S | . | . | trans | -55.8 | 131.6 | 169.6 | -27.8 | 36.1 | 0 | 0 | 0 | 111.2 | Y185 R218 D220 D236 N237 | Y185-P234 HydrophobicContact CD1-CG 4Å; Y185-P234 HydrophobicContact CD2-CB 4.03Å; Y185-P234 HydrophobicContact CD2-CG 3.88Å; Y185-P234 HydrophobicContact CE1-CB 4.37Å; Y185-P234 HydrophobicContact CE1-CG 4.13Å; Y185-P234 HydrophobicContact CE2-CB 3.7Å; Y185-P234 HydrophobicContact CE2-CG 4Å; Y185-P234 HydrophobicContact CG-CB 4.48Å; Y185-P234 HydrophobicContact CG-CG 3.87Å; R218-P234 HydrophobicContact CG-CG 4.33Å; R218-P234 WeakPolarHBondContact O-CD 3.1Å; D220-P234 HydrophobicContact CB-CG 4.4Å; P234-D236 PolarHBondContact O-N 3.05Å; P234-N237 WeakPolarHBondContact O-CB 3.34Å; P234-N237 PolarHBondContact O-N 2.95Å | ||
| 235 | P | 94.8 | Very high | 91.5 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.5 | -170.9 | 28.6 | -36.8 | 0 | 0 | 0 | 113.8 | ||
| 236 | D | 96.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1.6 | 177.1 | 82.4 | -56.7 | 0 | 0 | 0 | 113.8 | R218 P234 K294 | R218-D236 IonicContact CZ-OD1 3.45Å; R218-D236 IonicContact CZ-OD2 3.53Å; R218-D236 IonicContact NH1-OD1 3.39Å; R218-D236 PolarHBondContact NH1-OD1 3.03Å; R218-D236 IonicContact NH1-OD2 3.52Å; R218-D236 IonicContact NH2-OD1 2.71Å; R218-D236 PolarHBondContact NH2-OD1 3.34Å; R218-D236 VanDerWaalsContact NH2-OD1 3.11Å; R218-D236 IonicContact NH2-OD2 2.75Å; R218-D236 PolarHBondContact NH2-OD2 3.46Å; P234-D236 PolarHBondContact O-N 3.05Å; D236-K294 WeakPolarHBondContact O-CE 3.3Å; D236-K294 PolarHBondContact O-NZ 3.4Å; D236-K294 IonicContact OD2-NZ 2.82Å; D236-K294 PolarHBondContact OD2-NZ 3.22Å |
| 237 | N | 98 | Very high | 93.7 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.011 | 36% | 0.359 | C | S | . | . | trans | -54.2 | 132.4 | 177.4 | -95.2 | 14.2 | 0 | 0 | 0 | 110.5 | R218 I233 P234 F239 S240 P247 | R218-N237 PolarHBondContact NH1-OD1 3.18Å; R218-N237 PolarHBondContact O-ND2 2.69Å; I233-N237 HydrophobicContact CG2-CB 4.05Å; P234-N237 WeakPolarHBondContact O-CB 3.34Å; P234-N237 PolarHBondContact O-N 2.95Å; N237-F239 VanDerWaalsContact C-N 3.29Å; N237-F239 PolarHBondContact O-N 3.45Å; N237-S240 VanDerWaalsContact O-CB 3.23Å; N237-S240 WeakPolarHBondContact O-CB 3.22Å; N237-S240 PolarHBondContact O-N 3.07Å; N237-S240 VanDerWaalsContact O-N 3.1Å; N237-S240 PolarHBondContact O-OG 3.49Å; N237-P247 PolarHBondContact ND2-O 2.91Å | ||
| 238 | P | 97.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31.2 | -164.6 | 23 | -32.2 | 0 | 0 | 0 | 113.8 | F250 K294 | P238-F250 VanDerWaalsContact CG-O 3.29Å; P238-F250 WeakPolarHBondContact CG-O 3.36Å; P238-K294 HydrophobicContact CB-CG 4.23Å; P238-K294 HydrophobicContact CG-CG 4.13Å |
| 239 | F | 97.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 12.8 | -179.7 | -51 | -64.4 | 0 | 0 | 0 | 113.4 | R209 N237 R241 D242 A245 V249 Y252 | R209-F239 VanDerWaalsContact NH1-CE1 3.33Å; N237-F239 VanDerWaalsContact C-N 3.29Å; N237-F239 PolarHBondContact O-N 3.45Å; F239-R241 PolarHBondContact O-N 2.74Å; F239-D242 HydrophobicContact CB-CB 4.34Å; F239-D242 PolarHBondContact O-N 2.99Å; F239-D242 VanDerWaalsContact O-N 3.11Å; F239-A245 HydrophobicContact CB-CB 3.71Å; F239-A245 HydrophobicContact CG-CB 4.29Å; F239-V249 HydrophobicContact CD2-CB 4.01Å; F239-V249 HydrophobicContact CD2-CG1 3.69Å; F239-V249 HydrophobicContact CE2-CG1 3.93Å; F239-Y252 HydrophobicContact CE2-CD1 4.02Å; F239-Y252 HydrophobicContact CE2-CE1 4.32Å; F239-Y252 AromaticContact CZ-CD1 3.98Å; F239-Y252 HydrophobicContact CZ-CD1 3.98Å; F239-Y252 AromaticContact CZ-CE1 3.81Å; F239-Y252 HydrophobicContact CZ-CE1 3.81Å |
| 240 | S | 95.6 | Very high | 96.4 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.9 | -177.6 | 58.2 | 0 | 0 | 0 | 0 | 115.8 | N237 | N237-S240 VanDerWaalsContact O-CB 3.23Å; N237-S240 WeakPolarHBondContact O-CB 3.22Å; N237-S240 PolarHBondContact O-N 3.07Å; N237-S240 VanDerWaalsContact O-N 3.1Å; N237-S240 PolarHBondContact O-OG 3.49Å |
| 241 | R | 94.9 | Very high | 96.7 | Very high | 226 Ų | 226 | 52.1 Ų | 52.1 | 85% | 0.853 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 5.9 | 179.4 | -55.9 | -175.9 | -173.6 | -173.5 | 1.1 | 113.3 | F239 | F239-R241 PolarHBondContact O-N 2.74Š|
| 242 | D | 96.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | trans | -93.2 | 116.8 | -179.7 | -173.4 | -25.2 | 0 | 0 | 0 | 108.7 | R209 F239 D244 A245 | R209-D242 IonicContact CZ-OD2 3.14Å; R209-D242 IonicContact NH1-OD2 2.68Å; R209-D242 PolarHBondContact NH1-OD2 2.73Å; R209-D242 IonicContact NH2-OD1 3.58Å; R209-D242 IonicContact NH2-OD2 2.76Å; R209-D242 PolarHBondContact NH2-OD2 3.22Å; F239-D242 HydrophobicContact CB-CB 4.34Å; F239-D242 PolarHBondContact O-N 2.99Å; F239-D242 VanDerWaalsContact O-N 3.11Å; D242-D244 PolarHBondContact O-N 3.25Å; D242-D244 PolarHBondContact OD1-N 2.82Å; D242-A245 HydrophobicContact CB-CB 4Å; D242-A245 PolarHBondContact O-N 2.86Å | ||
| 243 | P | 95.8 | Very high | 97 | Very high | 120 Ų | 120 | 48.2 Ų | 48.2 | 78% | 0.779 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.3 | -177.9 | 30.9 | -36 | 0 | 0 | 0 | 113 | A245 | P243-A245 VanDerWaalsContact C-N 3.31Š|
| 244 | D | 94.8 | Very high | 97.1 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 29.6 | 178.5 | -63.7 | -49.8 | 0 | 0 | 0 | 111.4 | S210 D242 | S210-D244 PolarHBondContact OG-O 2.95Å; D242-D244 PolarHBondContact O-N 3.25Å; D242-D244 PolarHBondContact OD1-N 2.82Å |
| 245 | A | 96.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -149 | 160.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R209 F239 D242 P243 | R209-A245 HydrophobicContact CB-CB 3.87Å; R209-A245 CarbonylContact O-C 3.55Å; R209-A245 WeakPolarHBondContact O-CA 3.4Å; F239-A245 HydrophobicContact CB-CB 3.71Å; F239-A245 HydrophobicContact CG-CB 4.29Å; D242-A245 HydrophobicContact CB-CB 4Å; D242-A245 PolarHBondContact O-N 2.86Å; P243-A245 VanDerWaalsContact C-N 3.31Å |
| 246 | R | 97.3 | Very high | 97.2 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 37% | 0.366 | 21% | 0.214 | S | C | . | . | trans | -84 | 125.6 | 169.9 | -67.1 | -62.9 | -74 | -115.7 | -0.6 | 109.7 | R209 S210 L212 E248 V249 | R209-R246 PolarHBondContact O-N 3.32Å; S210-R246 WeakPolarHBondContact O-CG 3.16Å; L212-R246 HydrophobicContact CD2-CB 3.72Å; L212-R246 HydrophobicContact CD2-CG 3.87Å; L212-R246 HydrophobicContact CG-CG 4.29Å; R246-E248 WeakPolarHBondContact CB-OE2 3.5Å; R246-E248 IonicContact NE-OE2 3.31Å; R246-E248 PolarHBondContact NE-OE2 2.97Å; R246-E248 PolarHBondContact O-N 2.85Å; R246-E248 VanDerWaalsContact O-N 3.13Å; R246-V249 HydrophobicContact CB-CG2 3.9Å; R246-V249 WeakPolarHBondContact O-CB 3.39Å; R246-V249 WeakPolarHBondContact O-CG2 3.34Å; R246-V249 PolarHBondContact O-N 3.3Å | ||
| 247 | P | 97 | Very high | 97.2 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.1 | -176.2 | 30.4 | -37.7 | 0 | 0 | 0 | 112.8 | I233 N237 V249 | I233-P247 HydrophobicContact CD1-CB 4.2Å; I233-P247 HydrophobicContact CD1-CG 4.13Å; I233-P247 HydrophobicContact CG1-CB 4.06Å; I233-P247 HydrophobicContact CG1-CG 4.17Å; I233-P247 HydrophobicContact CG2-CB 4.12Å; I233-P247 WeakPolarHBondContact CG2-O 3.39Å; N237-P247 PolarHBondContact ND2-O 2.91Å; P247-V249 PolarHBondContact O-N 2.86Å |
| 248 | E | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.9 | 170.5 | -61.7 | 80.1 | -159 | 0 | 0 | 113.4 | L212 L217 R218 I219 K229 Y231 I233 R246 | L212-E248 HydrophobicContact CD2-CB 4.04Å; L212-E248 HydrophobicContact CD2-CG 4.48Å; L217-E248 CarbonylContact C-O 3.52Å; L217-E248 VanDerWaalsContact CA-O 3.24Å; L217-E248 WeakPolarHBondContact CA-O 2.94Å; L217-E248 HydrophobicContact CD2-CB 4.24Å; R218-E248 PolarHBondContact N-O 3.18Å; I219-E248 HydrophobicContact CG2-CB 4.41Å; I219-E248 HydrophobicContact CG2-CG 4.26Å; K229-E248 IonicContact NZ-OE1 2.62Å; K229-E248 PolarHBondContact NZ-OE1 2.79Å; Y231-E248 HydrophobicContact CE2-CG 3.96Å; Y231-E248 PolarHBondContact OH-OE1 3.19Å; I233-E248 HydrophobicContact CD1-CG 3.83Å; R246-E248 WeakPolarHBondContact CB-OE2 3.5Å; R246-E248 IonicContact NE-OE2 3.31Å; R246-E248 PolarHBondContact NE-OE2 2.97Å; R246-E248 PolarHBondContact O-N 2.85Å; R246-E248 VanDerWaalsContact O-N 3.13Å |
| 249 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 127.5 | -172.6 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | K215 L217 F239 R246 P247 A251 | K215-V249 HydrophobicContact CD-CG1 3.89Å; K215-V249 HydrophobicContact CD-CG2 3.86Å; K215-V249 HydrophobicContact CG-CG2 4.14Å; L217-V249 HydrophobicContact CD2-CB 4.49Å; L217-V249 HydrophobicContact CD2-CG2 3.8Å; F239-V249 HydrophobicContact CD2-CB 4.01Å; F239-V249 HydrophobicContact CD2-CG1 3.69Å; F239-V249 HydrophobicContact CE2-CG1 3.93Å; R246-V249 HydrophobicContact CB-CG2 3.9Å; R246-V249 WeakPolarHBondContact O-CB 3.39Å; R246-V249 WeakPolarHBondContact O-CG2 3.34Å; R246-V249 PolarHBondContact O-N 3.3Å; P247-V249 PolarHBondContact O-N 2.86Å; V249-A251 WeakPolarHBondContact CG1-O 3.36Å |
| 250 | F | 98.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 38 Ų | 38 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -39.4 | 170.6 | -178.2 | -100.6 | 0 | 0 | 0 | 112.2 | Y187 V216 R218 P238 I292 K294 G295 | Y187-F250 HydrophobicContact CD1-CD1 4.45Å; Y187-F250 AromaticContact CE1-CD1 3.78Å; Y187-F250 HydrophobicContact CE1-CD1 3.78Å; Y187-F250 HydrophobicContact CE1-CD2 4.43Å; Y187-F250 AromaticContact CE1-CE1 3.76Å; Y187-F250 HydrophobicContact CE1-CE1 3.76Å; Y187-F250 HydrophobicContact CE1-CE2 4.39Å; Y187-F250 HydrophobicContact CE1-CG 4.11Å; Y187-F250 HydrophobicContact CE1-CZ 4.05Å; V216-F250 HydrophobicContact CG1-CD1 4.43Å; V216-F250 WeakPolarHBondContact O-CA 3.41Å; V216-F250 WeakPolarHBondContact O-CB 3.45Å; V216-F250 PolarHBondContact O-N 2.8Å; R218-F250 HydrophobicContact CB-CB 3.7Å; R218-F250 HydrophobicContact CB-CD2 4.24Å; R218-F250 HydrophobicContact CB-CG 4.17Å; R218-F250 HydrophobicContact CG-CD2 4.44Å; P238-F250 VanDerWaalsContact CG-O 3.29Å; P238-F250 WeakPolarHBondContact CG-O 3.36Å; F250-I292 HydrophobicContact CD1-CG2 4.35Å; F250-I292 HydrophobicContact CE1-CG2 4.26Å; F250-K294 HydrophobicContact CD2-CB 4.49Å; F250-K294 HydrophobicContact CD2-CG 4.27Å; F250-K294 HydrophobicContact CE1-CB 4.29Å; F250-K294 HydrophobicContact CE2-CB 3.66Å; F250-K294 HydrophobicContact CE2-CD 4.2Å; F250-K294 HydrophobicContact CE2-CG 3.71Å; F250-K294 VanDerWaalsContact CZ-CA 3.46Å; F250-K294 HydrophobicContact CZ-CB 3.55Å; F250-K294 HydrophobicContact CZ-CG 4.15Å; F250-G295 WeakPolarHBondContact O-CA 3.46Å; F250-G295 PolarHBondContact O-N 2.89Å |
| 251 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V216 V249 I292 G296 Y298 | V216-A251 HydrophobicContact CB-CB 4.17Å; V216-A251 HydrophobicContact CG2-CB 4.39Å; V216-A251 PolarHBondContact N-O 2.86Å; V216-A251 PolarHBondContact O-N 3.46Å; V249-A251 WeakPolarHBondContact CG1-O 3.36Å; A251-I292 HydrophobicContact CB-CG2 4.19Å; A251-G296 WeakPolarHBondContact CA-O 3.32Å; A251-G296 WeakPolarHBondContact CB-O 3.26Å; A251-Y298 HydrophobicContact CB-CE2 3.78Å |
| 252 | Y | 98.6 | Very high | 97.4 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 13% | 0.125 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -179.5 | -171.4 | 72.3 | -79.4 | 0 | 0 | 0 | 112.5 | R209 F239 G296 N297 Y298 | R209-Y252 HydrophobicContact CG-CD1 4.21Å; R209-Y252 HydrophobicContact CG-CD2 3.98Å; R209-Y252 HydrophobicContact CG-CE1 4.31Å; R209-Y252 HydrophobicContact CG-CE2 4.08Å; R209-Y252 HydrophobicContact CG-CG 4.05Å; F239-Y252 HydrophobicContact CE2-CD1 4.02Å; F239-Y252 HydrophobicContact CE2-CE1 4.32Å; F239-Y252 AromaticContact CZ-CD1 3.98Å; F239-Y252 HydrophobicContact CZ-CD1 3.98Å; F239-Y252 AromaticContact CZ-CE1 3.81Å; F239-Y252 HydrophobicContact CZ-CE1 3.81Å; Y252-G296 WeakPolarHBondContact CD1-O 3.34Å; Y252-G296 PolarHBondContact N-O 2.89Å; Y252-N297 HydrophobicContact CD1-CB 4.44Å; Y252-N297 HydrophobicContact CD2-CB 4.47Å; Y252-N297 HydrophobicContact CE1-CB 3.85Å; Y252-N297 HydrophobicContact CE2-CB 3.89Å; Y252-N297 WeakPolarHBondContact CE2-ND2 3.43Å; Y252-N297 CarbonylContact O-C 3.42Å; Y252-N297 VanDerWaalsContact O-CA 3.31Å; Y252-N297 WeakPolarHBondContact O-CA 3.31Å; Y252-N297 PolarHBondContact OH-ND2 2.87Å; Y252-Y298 WeakPolarHBondContact O-CD2 3.49Å; Y252-Y298 PolarHBondContact O-N 3.37Å |
| 253 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 72.8 | 29.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A206 G214 N297 Y298 G299 W300 | A206-G253 PolarHBondContact O-N 2.66Å; G214-G253 PolarHBondContact O-N 3.36Å; G253-N297 WeakPolarHBondContact CA-OD1 3.22Å; G253-Y298 CarbonylContact O-C 3.58Å; G253-Y298 WeakPolarHBondContact O-CA 3.17Å; G253-Y298 WeakPolarHBondContact O-CB 3.24Å; G253-G299 PolarHBondContact O-N 2.8Å; G253-W300 WeakPolarHBondContact CA-O 3.35Å; G253-W300 WeakPolarHBondContact O-CB 3.47Å; G253-W300 PolarHBondContact O-N 3.45Å | ||
| 254 | V | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -101.4 | 154.3 | 174.8 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | A206 G214 K215 M257 D280 Y298 | A206-V254 WeakPolarHBondContact CB-O 3.44Å; G214-V254 VanDerWaalsContact CA-O 3.3Å; G214-V254 WeakPolarHBondContact CA-O 3.27Å; K215-V254 VanDerWaalsContact N-CG2 3.33Å; V254-M257 HydrophobicContact CB-CE 3.97Å; V254-M257 HydrophobicContact CB-CG 4.13Å; V254-M257 HydrophobicContact CB-SD 3.96Å; V254-M257 HydrophobicContact CG1-CE 3.38Å; V254-M257 HydrophobicContact CG1-CG 4.4Å; V254-M257 HydrophobicContact CG1-SD 3.59Å; V254-M257 VanDerWaalsContact CG1-SD 3.59Å; V254-M257 HydrophobicContact CG2-SD 4.47Å; V254-D280 VanDerWaalsContact CA-OD2 3.3Å; V254-D280 WeakPolarHBondContact CA-OD2 3.47Å; V254-D280 VanDerWaalsContact CB-OD2 3.28Å; V254-D280 WeakPolarHBondContact CB-OD2 3.36Å; V254-Y298 HydrophobicContact CG1-CD2 3.4Å; V254-Y298 HydrophobicContact CG1-CE2 4.22Å; V254-Y298 HydrophobicContact CG1-CG 4.09Å | ||
| 255 | R | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -98 | -63.6 | -174.1 | -176.6 | 168.9 | -179.4 | -69.6 | -6.1 | 113 | H173 G191 D192 D280 V281 G282 W300 | H173-R255 VanDerWaalsContact CE1-CZ 3.42Å; H173-R255 PolarHBondContact CE1-NH2 3.27Å; H173-R255 PolarHBondContact NE2-NH1 2.86Å; H173-R255 PolarHBondContact NE2-NH2 3.33Å; G191-R255 CarbonylContact C-O 3.48Å; G191-R255 WeakPolarHBondContact CA-O 3.37Å; D192-R255 PolarHBondContact N-O 3.18Å; R255-D280 WeakPolarHBondContact CB-OD1 3.28Å; R255-D280 PolarHBondContact N-OD1 2.93Å; R255-D280 PolarHBondContact N-OD2 2.82Å; R255-V281 VanDerWaalsContact CD-O 3.23Å; R255-V281 WeakPolarHBondContact CD-O 3.39Å; R255-V281 PolarHBondContact NH1-O 2.94Å; R255-G282 VanDerWaalsContact CZ-O 3.25Å; R255-G282 PolarHBondContact NH1-O 3.48Å; R255-W300 VanDerWaalsContact CA-CD1 3.46Å; R255-W300 HydrophobicContact CB-CB 4.18Å; R255-W300 HydrophobicContact CB-CD2 3.86Å; R255-W300 HydrophobicContact CB-CG 3.6Å; R255-W300 VanDerWaalsContact CD-CE2 3.49Å; R255-W300 HydrophobicContact CG-CD2 3.87Å; R255-W300 HydrophobicContact CG-CG 4.08Å; R255-W300 HydrophobicContact CG-CZ2 4.11Å |
| 256 | N | 97.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.032 | 8% | 0.081 | C | C | . | . | trans | -156.9 | 69 | 178.2 | -168.6 | 32.3 | 0 | 0 | 0 | 110.4 | E107 H173 G175 W258 D280 V281 | E107-N256 PolarHBondContact OE2-ND2 2.9Å; H173-N256 VanDerWaalsContact C-OD1 3.29Å; H173-N256 VanDerWaalsContact CA-CG 3.46Å; H173-N256 WeakPolarHBondContact CA-OD1 3.19Å; H173-N256 HydrophobicContact CB-CB 3.89Å; G175-N256 PolarHBondContact N-OD1 3.38Å; N256-W258 PolarHBondContact O-N 2.94Å; N256-W258 VanDerWaalsContact O-N 3.11Å; N256-D280 WeakPolarHBondContact CA-OD1 3.17Å; N256-D280 PolarHBondContact N-OD1 2.84Å; N256-V281 HydrophobicContact CB-CB 4.32Å; N256-V281 PolarHBondContact O-N 2.88Å | ||
| 257 | M | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 110 | 175.4 | -75.6 | -177.2 | 172.5 | 0 | 0 | 111 | F189 V216 V254 C278 G279 D280 D290 I292 Y298 | F189-M257 HydrophobicContact CD1-CB 4.36Å; F189-M257 HydrophobicContact CD1-SD 4.25Å; V216-M257 HydrophobicContact CG2-SD 4.35Å; V254-M257 HydrophobicContact CB-CE 3.97Å; V254-M257 HydrophobicContact CB-CG 4.13Å; V254-M257 HydrophobicContact CB-SD 3.96Å; V254-M257 HydrophobicContact CG1-CE 3.38Å; V254-M257 HydrophobicContact CG1-CG 4.4Å; V254-M257 HydrophobicContact CG1-SD 3.59Å; V254-M257 VanDerWaalsContact CG1-SD 3.59Å; V254-M257 HydrophobicContact CG2-SD 4.47Å; M257-C278 HydrophobicContact CE-CB 4Å; M257-C278 HydrophobicContact CG-CB 4.07Å; M257-C278 HydrophobicContact SD-CB 3.67Å; M257-G279 WeakPolarHBondContact CA-O 3.45Å; M257-D280 HydrophobicContact CE-CB 3.93Å; M257-D280 HydrophobicContact CG-CB 3.71Å; M257-D280 PolarHBondContact N-OD1 3.24Å; M257-D290 HydrophobicContact CE-CB 3.97Å; M257-D290 WeakPolarHBondContact CE-OD2 3.36Å; M257-I292 HydrophobicContact CE-CD1 3.58Å; M257-I292 HydrophobicContact SD-CD1 3.75Å; M257-Y298 HydrophobicContact CE-CD2 4.48Å; M257-Y298 HydrophobicContact CE-CG 4.47Å |
| 258 | W | 95.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 23 Ų | 23 | 15% | 0.148 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -57.8 | -169.7 | 173.9 | -122 | 0 | 0 | 0 | 113.5 | V56 L111 G175 N256 G279 I403 | V56-W258 HydrophobicContact CB-CH2 4.35Å; V56-W258 HydrophobicContact CB-CZ2 4.34Å; V56-W258 HydrophobicContact CG1-CH2 4.17Å; V56-W258 HydrophobicContact CG1-CZ2 4.28Å; L111-W258 HydrophobicContact CB-CZ3 4.27Å; L111-W258 HydrophobicContact CD2-CH2 3.99Å; L111-W258 HydrophobicContact CD2-CZ3 4.03Å; G175-W258 VanDerWaalsContact O-CE3 3.31Å; G175-W258 WeakPolarHBondContact O-CZ3 3.46Å; N256-W258 PolarHBondContact O-N 2.94Å; N256-W258 VanDerWaalsContact O-N 3.11Å; W258-G279 PolarHBondContact N-O 3.11Å; W258-I403 HydrophobicContact CZ2-CG2 4.4Å; W258-I403 PolarHBondContact NE1-O 2.88Å |
| 259 | R | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.9 | 169.4 | -57 | -68 | 141.6 | -155.6 | -0.5 | 111.1 | V56 L111 G279 T337 S404 | V56-R259 PolarHBondContact O-NH2 3.41Å; L111-R259 PolarHBondContact O-NH1 2.75Å; L111-R259 PolarHBondContact O-NH2 3.22Å; R259-G279 PolarHBondContact O-N 2.82Å; R259-T337 WeakPolarHBondContact CB-O 3.37Å; R259-T337 VanDerWaalsContact CG-O 3.28Å; R259-T337 WeakPolarHBondContact CG-O 3.44Å; R259-T337 PolarHBondContact N-O 2.68Å; R259-S404 VanDerWaalsContact CD-OG 3.22Å; R259-S404 WeakPolarHBondContact CD-OG 3.46Å; R259-S404 PolarHBondContact NE-OG 3.02Å |
| 260 | C | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.5 | 170.8 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | Q177 L179 F189 I276 F277 C278 | Q177-C260 HydrophobicContact CG-CB 4.04Å; L179-C260 HydrophobicContact CD2-CB 4.04Å; F189-C260 HydrophobicContact CD1-CB 4.39Å; F189-C260 WeakPolarHBondContact CD1-SG 3.44Å; F189-C260 HydrophobicContact CE1-CB 4.11Å; F189-C260 VanDerWaalsContact CE1-SG 3.52Å; F189-C260 HydrophobicContact CE2-CB 4.41Å; F189-C260 HydrophobicContact CZ-CB 4.13Å; C260-I276 HydrophobicContact CB-CG2 4.27Å; C260-F277 CarbonylContact C-O 3.57Å; C260-F277 WeakPolarHBondContact CA-O 3.17Å; C260-F277 WeakPolarHBondContact CB-O 3.38Å; C260-C278 HydrophobicContact CB-CB 4.08Å; C260-C278 WeakPolarHBondContact CB-SG 3.45Å; C260-C278 WeakPolarHBondContact SG-CB 3.33Å; C260-C278 CovalentContact SG-SG 2.03Å; C260-C278 PolarHBondContact SG-SG 3.07Å |
| 261 | S | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 154.8 | -177.3 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | I276 F277 G339 Y340 | S261-I276 CarbonylContact O-C 3.57Å; S261-I276 VanDerWaalsContact O-CA 3.31Å; S261-I276 WeakPolarHBondContact O-CA 3.3Å; S261-F277 PolarHBondContact N-O 3.17Å; S261-F277 PolarHBondContact O-N 3Å; S261-G339 WeakPolarHBondContact CB-O 3.25Å; S261-G339 PolarHBondContact OG-O 2.97Å; S261-Y340 VanDerWaalsContact CB-CD1 3.4Å; S261-Y340 WeakPolarHBondContact OG-CA 3.5Å |
| 262 | V | 98.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.3 | 173 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | L179 Q182 R264 R275 I276 | L179-V262 HydrophobicContact CD1-CG2 3.69Å; L179-V262 HydrophobicContact CD2-CG2 4.15Å; L179-V262 HydrophobicContact CG-CG2 4.38Å; Q182-V262 HydrophobicContact CG-CG1 4.12Å; V262-R264 PolarHBondContact O-N 3.1Å; V262-R275 WeakPolarHBondContact CA-O 3.12Å; V262-I276 HydrophobicContact CG2-CG1 4.35Å |
| 263 | D | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | trans | -61.5 | 112.3 | 169.8 | -176.3 | -5.6 | 0 | 0 | 0 | 108.8 | Q182 G265 G272 R273 G274 R275 F277 V341 R343 | Q182-D263 PolarHBondContact NE2-O 3.15Å; D263-G265 PolarHBondContact O-N 3.07Å; D263-G265 VanDerWaalsContact O-N 3.08Å; D263-G265 WeakPolarHBondContact OD1-CA 3.37Å; D263-G265 PolarHBondContact OD1-N 3.05Å; D263-G272 WeakPolarHBondContact CB-O 3.01Å; D263-G272 WeakPolarHBondContact OD2-CA 3.3Å; D263-R273 WeakPolarHBondContact O-CA 3.02Å; D263-G274 PolarHBondContact O-N 3.25Å; D263-R275 HydrophobicContact CB-CB 4.3Å; D263-R275 PolarHBondContact N-O 3.27Å; D263-R275 IonicContact OD2-CZ 3.62Å; D263-R275 IonicContact OD2-NE 3.91Å; D263-R275 IonicContact OD2-NH2 3.59Å; D263-R275 PolarHBondContact OD2-NH2 2.98Å; D263-F277 HydrophobicContact CB-CD2 4.42Å; D263-F277 HydrophobicContact CB-CE2 4.02Å; D263-V341 HydrophobicContact CB-CB 4.36Å; D263-V341 HydrophobicContact CB-CG2 4.03Å; D263-R343 VanDerWaalsContact CG-NH2 3.34Å; D263-R343 IonicContact OD1-CZ 2.93Å; D263-R343 VanDerWaalsContact OD1-CZ 3.3Å; D263-R343 IonicContact OD1-NE 3.3Å; D263-R343 PolarHBondContact OD1-NE 2.88Å; D263-R343 IonicContact OD1-NH2 2.63Å; D263-R343 PolarHBondContact OD1-NH2 2.84Å; D263-R343 IonicContact OD2-CZ 2.95Å; D263-R343 IonicContact OD2-NH2 3.71Å; D263-R343 PolarHBondContact OD2-NH2 2.92Å | ||
| 264 | R | 95.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -60.2 | -17.5 | 176.8 | -57.8 | 168.8 | 80 | 120.5 | -15.3 | 111.8 | H60 V262 R273 R343 E407 E409 | H60-R264 PolarHBondContact NE2-NH1 3.05Å; V262-R264 PolarHBondContact O-N 3.1Å; R264-R273 WeakPolarHBondContact O-CG 3.42Å; R264-R273 PolarHBondContact O-NH1 3.3Å; R264-R343 HydrophobicContact CB-CB 4.33Å; R264-R343 HydrophobicContact CB-CG 4.17Å; R264-E407 WeakPolarHBondContact CD-OE1 3.49Å; R264-E407 WeakPolarHBondContact CD-OE2 3.19Å; R264-E407 IonicContact CZ-OE1 2.78Å; R264-E407 IonicContact NE-OE1 3.96Å; R264-E407 IonicContact NH1-OE1 3.52Å; R264-E407 PolarHBondContact NH1-OE1 3.16Å; R264-E407 IonicContact NH1-OE2 3.88Å; R264-E409 PolarHBondContact NH2-O 3.16Å | ||
| 265 | G | 95.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | 90.8 | 153 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D263 Y271 R343 | D263-G265 PolarHBondContact O-N 3.07Å; D263-G265 VanDerWaalsContact O-N 3.08Å; D263-G265 WeakPolarHBondContact OD1-CA 3.37Å; D263-G265 PolarHBondContact OD1-N 3.05Å; G265-Y271 WeakPolarHBondContact CA-O 3.29Å; G265-R343 WeakPolarHBondContact O-CD 3.38Å; G265-R343 PolarHBondContact O-NE 2.82Å | ||
| 266 | D | 93.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | trans | -55.8 | 128.1 | 170 | 174.6 | -104.3 | 0 | 0 | 0 | 110.7 | V268 S269 G270 Y271 N351 | D266-V268 PolarHBondContact O-N 3.11Å; D266-V268 PolarHBondContact OD1-N 3.29Å; D266-S269 WeakPolarHBondContact CB-OG 3.39Å; D266-S269 VanDerWaalsContact CG-OG 3.32Å; D266-S269 WeakPolarHBondContact OD1-CB 3.31Å; D266-S269 PolarHBondContact OD1-N 3.32Å; D266-S269 PolarHBondContact OD1-OG 3.26Å; D266-G270 WeakPolarHBondContact O-CA 3.31Å; D266-G270 PolarHBondContact O-N 3.14Å; D266-Y271 PolarHBondContact N-O 2.9Å; D266-N351 PolarHBondContact OD2-ND2 3.1Å | ||
| 267 | P | 86.4 | Confident | 95.7 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.9 | -171.6 | -26.9 | 35.8 | 0 | 0 | 0 | 116.4 | ||
| 268 | V | 89.6 | Confident | 95.8 | Very high | 142 Ų | 142 | 41.5 Ų | 41.5 | 86% | 0.861 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -45.6 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | D266 | D266-V268 PolarHBondContact O-N 3.11Å; D266-V268 PolarHBondContact OD1-N 3.29Å |
| 269 | S | 93.9 | Very high | 95.9 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 57% | 0.573 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.7 | -174.2 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | D266 Y271 | D266-S269 WeakPolarHBondContact CB-OG 3.39Å; D266-S269 VanDerWaalsContact CG-OG 3.32Å; D266-S269 WeakPolarHBondContact OD1-CB 3.31Å; D266-S269 PolarHBondContact OD1-N 3.32Å; D266-S269 PolarHBondContact OD1-OG 3.26Å; S269-Y271 PolarHBondContact O-N 3.33Å; S269-Y271 VanDerWaalsContact O-N 3.15Å; S269-Y271 WeakPolarHBondContact OG-CB 3.49Å; S269-Y271 PolarHBondContact OG-N 2.65Å |
| 270 | G | 94.5 | Very high | 96 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 38% | 0.381 | 22% | 0.224 | S | C | . | . | trans | 65.7 | 6.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114 | D266 R273 | D266-G270 WeakPolarHBondContact O-CA 3.31Å; D266-G270 PolarHBondContact O-N 3.14Å; G270-R273 WeakPolarHBondContact O-CB 3.41Å; G270-R273 PolarHBondContact O-N 3.02Å | ||
| 271 | Y | 94.9 | Very high | 95.9 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 137.3 | -175.5 | 179.3 | -93.9 | 0 | 0 | 0 | 112.1 | G265 D266 S269 R273 R343 E369 K371 | G265-Y271 WeakPolarHBondContact CA-O 3.29Å; D266-Y271 PolarHBondContact N-O 2.9Å; S269-Y271 PolarHBondContact O-N 3.33Å; S269-Y271 VanDerWaalsContact O-N 3.15Å; S269-Y271 WeakPolarHBondContact OG-CB 3.49Å; S269-Y271 PolarHBondContact OG-N 2.65Å; Y271-R273 PolarHBondContact O-N 3.3Å; Y271-R343 PolarHBondContact O-NH2 2.95Å; Y271-E369 WeakPolarHBondContact CE1-OE2 3.36Å; Y271-E369 VanDerWaalsContact OH-CD 3.29Å; Y271-E369 PolarHBondContact OH-OE1 2.71Å; Y271-E369 PolarHBondContact OH-OE2 2.84Å; Y271-K371 HydrophobicContact CD1-CD 4.31Å; Y271-K371 VanDerWaalsContact CD1-NZ 3.34Å; Y271-K371 HydrophobicContact CE1-CD 3.72Å; Y271-K371 HydrophobicContact CE1-CG 4.22Å; Y271-K371 HydrophobicContact CE2-CD 4.32Å |
| 272 | G | 94.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D263 G274 R275 | D263-G272 WeakPolarHBondContact CB-O 3.01Å; D263-G272 WeakPolarHBondContact OD2-CA 3.3Å; G272-G274 PolarHBondContact O-N 3.15Å; G272-R275 VanDerWaalsContact CA-NE 3.31Å; G272-R275 WeakPolarHBondContact O-CB 3.04Å; G272-R275 VanDerWaalsContact O-CG 3.31Å; G272-R275 WeakPolarHBondContact O-CG 3.19Å; G272-R275 PolarHBondContact O-N 3.24Å; G272-R275 PolarHBondContact O-NE 3.02Å; G272-R275 VanDerWaalsContact O-NE 3.11Å |
| 273 | R | 96.9 | Very high | 95.5 | Very high | 155 Ų | 155 | 40.6 Ų | 40.6 | 59% | 0.585 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.7 | -176.1 | -174.2 | 166.4 | 176.9 | 100.3 | 0.8 | 112.8 | Q182 D263 R264 G270 Y271 | Q182-R273 VanDerWaalsContact OE1-CZ 3.24Å; D263-R273 WeakPolarHBondContact O-CA 3.02Å; R264-R273 WeakPolarHBondContact O-CG 3.42Å; R264-R273 PolarHBondContact O-NH1 3.3Å; G270-R273 WeakPolarHBondContact O-CB 3.41Å; G270-R273 PolarHBondContact O-N 3.02Å; Y271-R273 PolarHBondContact O-N 3.3Å |
| 274 | G | 97 | Very high | 95.2 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D263 G272 | D263-G274 PolarHBondContact O-N 3.25Å; G272-G274 PolarHBondContact O-N 3.15Å |
| 275 | R | 97.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 133.5 | 168.2 | -66.6 | -178.9 | -60.4 | -176.1 | 3.8 | 109.8 | V262 D263 G272 F277 I291 E369 | V262-R275 WeakPolarHBondContact CA-O 3.12Å; D263-R275 HydrophobicContact CB-CB 4.3Å; D263-R275 PolarHBondContact N-O 3.27Å; D263-R275 IonicContact OD2-CZ 3.62Å; D263-R275 IonicContact OD2-NE 3.91Å; D263-R275 IonicContact OD2-NH2 3.59Å; D263-R275 PolarHBondContact OD2-NH2 2.98Å; G272-R275 VanDerWaalsContact CA-NE 3.31Å; G272-R275 WeakPolarHBondContact O-CB 3.04Å; G272-R275 VanDerWaalsContact O-CG 3.31Å; G272-R275 WeakPolarHBondContact O-CG 3.19Å; G272-R275 PolarHBondContact O-N 3.24Å; G272-R275 PolarHBondContact O-NE 3.02Å; G272-R275 VanDerWaalsContact O-NE 3.11Å; R275-F277 HydrophobicContact CB-CD2 4.23Å; R275-F277 HydrophobicContact CB-CE2 3.69Å; R275-F277 HydrophobicContact CB-CZ 4.49Å; R275-I291 HydrophobicContact CB-CG2 4.27Å; R275-I291 HydrophobicContact CG-CG2 4.46Å; R275-E369 IonicContact CZ-OE2 2.77Å; R275-E369 IonicContact NH1-OE1 2.84Å; R275-E369 PolarHBondContact NH1-OE1 2.93Å; R275-E369 IonicContact NH1-OE2 3.18Å; R275-E369 PolarHBondContact NH1-OE2 2.89Å; R275-E369 IonicContact NH2-OE2 2.71Å; R275-E369 PolarHBondContact NH2-OE2 2.87Å |
| 276 | I | 98.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.4 | 171.2 | -62.8 | 171.3 | 0 | 0 | 0 | 107.3 | L179 Y187 F189 C260 S261 V262 I291 I292 | L179-I276 HydrophobicContact CD1-CD1 4.21Å; L179-I276 HydrophobicContact CD2-CG2 4.45Å; Y187-I276 HydrophobicContact CD1-CD1 3.71Å; Y187-I276 HydrophobicContact CE1-CD1 3.57Å; Y187-I276 HydrophobicContact CE2-CD1 4.48Å; Y187-I276 HydrophobicContact CG-CD1 4.21Å; F189-I276 HydrophobicContact CE1-CG2 4.34Å; F189-I276 HydrophobicContact CZ-CG2 3.91Å; C260-I276 HydrophobicContact CB-CG2 4.27Å; S261-I276 CarbonylContact O-C 3.57Å; S261-I276 VanDerWaalsContact O-CA 3.31Å; S261-I276 WeakPolarHBondContact O-CA 3.3Å; V262-I276 HydrophobicContact CG2-CG1 4.35Å; I276-I291 CarbonylContact O-C 3.59Å; I276-I291 VanDerWaalsContact O-CA 3.31Å; I276-I291 WeakPolarHBondContact O-CA 3.25Å; I276-I292 HydrophobicContact CB-CB 4.06Å; I276-I292 HydrophobicContact CB-CG1 4.32Å; I276-I292 HydrophobicContact CG2-CB 4.04Å; I276-I292 HydrophobicContact CG2-CG1 3.8Å; I276-I292 PolarHBondContact O-N 2.84Å |
| 277 | F | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.1 | 171.7 | -70.3 | -102.8 | 0 | 0 | 0 | 109.5 | C260 S261 D263 R275 D290 I291 I325 V341 Y354 W376 | C260-F277 CarbonylContact C-O 3.57Å; C260-F277 WeakPolarHBondContact CA-O 3.17Å; C260-F277 WeakPolarHBondContact CB-O 3.38Å; S261-F277 PolarHBondContact N-O 3.17Å; S261-F277 PolarHBondContact O-N 3Å; D263-F277 HydrophobicContact CB-CD2 4.42Å; D263-F277 HydrophobicContact CB-CE2 4.02Å; R275-F277 HydrophobicContact CB-CD2 4.23Å; R275-F277 HydrophobicContact CB-CE2 3.69Å; R275-F277 HydrophobicContact CB-CZ 4.49Å; F277-D290 VanDerWaalsContact CA-O 3.32Å; F277-D290 WeakPolarHBondContact CA-O 3.35Å; F277-I291 HydrophobicContact CD1-CD1 4.31Å; F277-I291 HydrophobicContact CD1-CG1 3.8Å; F277-I291 HydrophobicContact CE1-CD1 3.59Å; F277-I291 HydrophobicContact CE1-CG1 3.6Å; F277-I291 HydrophobicContact CG-CG1 4.41Å; F277-I291 HydrophobicContact CZ-CD1 3.75Å; F277-I291 HydrophobicContact CZ-CG1 4.05Å; F277-I325 HydrophobicContact CD1-CD1 4.04Å; F277-I325 HydrophobicContact CE1-CD1 3.85Å; F277-V341 HydrophobicContact CD2-CG2 3.86Å; F277-V341 HydrophobicContact CE2-CG2 3.59Å; F277-V341 HydrophobicContact CG-CG2 4.48Å; F277-V341 HydrophobicContact CZ-CG2 3.99Å; F277-Y354 HydrophobicContact CB-CD2 3.87Å; F277-Y354 HydrophobicContact CB-CE2 3.3Å; F277-Y354 AromaticContact CD1-CD2 3.74Å; F277-Y354 HydrophobicContact CD1-CD2 3.74Å; F277-Y354 AromaticContact CD1-CE2 3.97Å; F277-Y354 HydrophobicContact CD1-CE2 3.97Å; F277-Y354 HydrophobicContact CD1-CG 4.05Å; F277-Y354 HydrophobicContact CD2-CD2 4.48Å; F277-Y354 HydrophobicContact CE1-CD2 4.41Å; F277-Y354 HydrophobicContact CE1-CG 4.47Å; F277-Y354 AromaticContact CG-CD2 3.79Å; F277-Y354 HydrophobicContact CG-CD2 3.79Å; F277-Y354 AromaticContact CG-CE2 3.78Å; F277-Y354 HydrophobicContact CG-CE2 3.78Å; F277-W376 AromaticContact CE1-CH2 3.51Å; F277-W376 HydrophobicContact CE1-CH2 3.51Å; F277-W376 AromaticContact CE1-CZ2 3.67Å; F277-W376 HydrophobicContact CE1-CZ2 3.67Å; F277-W376 HydrophobicContact CE1-CZ3 4.2Å; F277-W376 AromaticContact CZ-CH2 3.5Å; F277-W376 HydrophobicContact CZ-CH2 3.5Å; F277-W376 VanDerWaalsContact CZ-CH2 3.5Å; F277-W376 AromaticContact CZ-CZ2 3.73Å; F277-W376 HydrophobicContact CZ-CZ2 3.73Å; F277-W376 HydrophobicContact CZ-CZ3 4.49Å |
| 278 | C | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.4 | 175.5 | -70.8 | 0 | 0 | 0 | 0 | 111 | F189 M257 C260 V289 D290 I292 | F189-C278 WeakPolarHBondContact CE1-SG 3.44Å; M257-C278 HydrophobicContact CE-CB 4Å; M257-C278 HydrophobicContact CG-CB 4.07Å; M257-C278 HydrophobicContact SD-CB 3.67Å; C260-C278 HydrophobicContact CB-CB 4.08Å; C260-C278 WeakPolarHBondContact CB-SG 3.45Å; C260-C278 WeakPolarHBondContact SG-CB 3.33Å; C260-C278 CovalentContact SG-SG 2.03Å; C260-C278 PolarHBondContact SG-SG 3.07Å; C278-V289 VanDerWaalsContact O-CA 3.3Å; C278-V289 WeakPolarHBondContact O-CA 3.21Å; C278-V289 WeakPolarHBondContact O-CG1 3.47Å; C278-D290 PolarHBondContact N-O 2.79Å; C278-D290 PolarHBondContact O-N 3.18Å; C278-I292 HydrophobicContact CB-CD1 4.17Å; C278-I292 HydrophobicContact CB-CG1 4.39Å; C278-I292 VanDerWaalsContact SG-CG1 3.52Å |
| 279 | G | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M257 W258 R259 E288 | M257-G279 WeakPolarHBondContact CA-O 3.45Å; W258-G279 PolarHBondContact N-O 3.11Å; R259-G279 PolarHBondContact O-N 2.82Å; G279-E288 WeakPolarHBondContact CA-O 3.4Å |
| 280 | D | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.8 | 175.1 | -157.6 | -11.9 | 0 | 0 | 0 | 110.4 | V254 R255 N256 M257 E288 V336 | V254-D280 VanDerWaalsContact CA-OD2 3.3Å; V254-D280 WeakPolarHBondContact CA-OD2 3.47Å; V254-D280 VanDerWaalsContact CB-OD2 3.28Å; V254-D280 WeakPolarHBondContact CB-OD2 3.36Å; R255-D280 WeakPolarHBondContact CB-OD1 3.28Å; R255-D280 PolarHBondContact N-OD1 2.93Å; R255-D280 PolarHBondContact N-OD2 2.82Å; N256-D280 WeakPolarHBondContact CA-OD1 3.17Å; N256-D280 PolarHBondContact N-OD1 2.84Å; M257-D280 HydrophobicContact CE-CB 3.93Å; M257-D280 HydrophobicContact CG-CB 3.71Å; M257-D280 PolarHBondContact N-OD1 3.24Å; D280-E288 HydrophobicContact CB-CG 4.01Å; D280-E288 PolarHBondContact N-O 2.03Å; D280-E288 PolarHBondContact O-N 2.96Å; D280-V336 WeakPolarHBondContact O-CG1 3.49Å |
| 281 | V | 97.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | trans | -79.6 | 126.6 | -168.6 | 176 | 0 | 0 | 0 | 0 | 111.2 | R255 N256 E287 V336 | R255-V281 VanDerWaalsContact CD-O 3.23Å; R255-V281 WeakPolarHBondContact CD-O 3.39Å; R255-V281 PolarHBondContact NH1-O 2.94Å; N256-V281 HydrophobicContact CB-CB 4.32Å; N256-V281 PolarHBondContact O-N 2.88Å; V281-E287 WeakPolarHBondContact CA-OE2 3.49Å; V281-V336 HydrophobicContact CG2-CG1 4.45Å; V281-V336 WeakPolarHBondContact CG2-O 3.38Å | ||
| 282 | G | 95.3 | Very high | 97 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | trans | -64.4 | 164.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R255 Y286 E287 | R255-G282 VanDerWaalsContact CZ-O 3.25Å; R255-G282 PolarHBondContact NH1-O 3.48Å; G282-Y286 WeakPolarHBondContact CA-O 3.04Å; G282-E287 VanDerWaalsContact N-CD 3.34Å; G282-E287 PolarHBondContact N-OE2 3Å | ||
| 283 | Q | 93.5 | Very high | 97.1 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -90.9 | -49.4 | 178.2 | 179 | 57.7 | 84.5 | 0 | 0 | 112.5 | W300 E304 Y309 | Q283-W300 HydrophobicContact CB-CH2 3.65Å; Q283-W300 HydrophobicContact CB-CZ3 3.83Å; Q283-W300 HydrophobicContact CG-CH2 3.79Å; Q283-W300 HydrophobicContact CG-CZ3 4.38Å; Q283-E304 WeakPolarHBondContact CA-OE1 3.38Å; Q283-E304 WeakPolarHBondContact CB-OE1 3.31Å; Q283-E304 PolarHBondContact N-OE1 2.77Å; Q283-Y309 HydrophobicContact CB-CE2 4.16Å; Q283-Y309 HydrophobicContact CG-CD2 4.44Å; Q283-Y309 HydrophobicContact CG-CE2 3.6Å |
| 284 | N | 90.9 | Very high | 97.2 | Very high | 111 Ų | 111 | 29.5 Ų | 29.5 | 59% | 0.594 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -162.4 | -18.2 | -175.3 | -83 | -58.1 | 0 | 0 | 0 | 113.9 | E304 H330 | N284-E304 PolarHBondContact N-OE1 3.17Å; N284-H330 VanDerWaalsContact C-ND1 3.31Å; N284-H330 PolarHBondContact O-ND1 3.37Å |
| 285 | R | 93.4 | Very high | 97.2 | Very high | 95 Ų | 95 | 29.1 Ų | 29.1 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -118.6 | -47.4 | -171.8 | -56.7 | -168.9 | -157.4 | 151 | 19.8 | 114.2 | E304 E307 C308 S329 H330 | R285-E304 PolarHBondContact N-OE1 2.76Å; R285-E307 WeakPolarHBondContact CD-OE2 3.37Å; R285-E307 IonicContact CZ-OE2 2.73Å; R285-E307 IonicContact NE-OE2 3.7Å; R285-E307 IonicContact NH1-OE2 3.83Å; R285-E307 PolarHBondContact NH1-OE2 2.67Å; R285-C308 PolarHBondContact NH1-O 2.74Å; R285-C308 PolarHBondContact NH2-O 3.41Å; R285-S329 CarbonylContact O-C 3.53Å; R285-S329 WeakPolarHBondContact O-CA 3.32Å; R285-H330 PolarHBondContact O-CD2 2.98Å; R285-H330 PolarHBondContact O-N 3.19Å |
| 286 | Y | 96.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 27.3 Ų | 27.3 | 22% | 0.216 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.3 | -175.1 | -63.9 | -88.4 | 0 | 0 | 0 | 112.6 | G282 E304 E307 Y328 H330 | G282-Y286 WeakPolarHBondContact CA-O 3.04Å; Y286-E304 PolarHBondContact N-OE1 2.88Å; Y286-E307 HydrophobicContact CD2-CB 4.43Å; Y286-E307 HydrophobicContact CE2-CB 4.1Å; Y286-E307 VanDerWaalsContact CE2-CD 3.4Å; Y286-E307 HydrophobicContact CE2-CG 3.78Å; Y286-E307 WeakPolarHBondContact CE2-OE1 3.25Å; Y286-E307 PolarHBondContact OH-OE1 3.48Å; Y286-Y328 VanDerWaalsContact CA-O 3.32Å; Y286-Y328 WeakPolarHBondContact CA-O 3.48Å; Y286-H330 PolarHBondContact N-CD2 2.81Å; Y286-H330 PolarHBondContact N-NE2 2.85Å |
| 287 | E | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.9 | 165.1 | -57.1 | -66.4 | 155.8 | 0 | 0 | 108.7 | V281 G282 A327 Y328 H330 K334 S335 V336 | V281-E287 WeakPolarHBondContact CA-OE2 3.49Å; G282-E287 VanDerWaalsContact N-CD 3.34Å; G282-E287 PolarHBondContact N-OE2 3Å; E287-A327 CarbonylContact O-C 3.58Å; E287-A327 WeakPolarHBondContact O-CA 3.3Å; E287-Y328 HydrophobicContact CB-CD1 4.16Å; E287-Y328 HydrophobicContact CB-CD2 4.08Å; E287-Y328 HydrophobicContact CB-CE1 3.7Å; E287-Y328 HydrophobicContact CB-CE2 3.57Å; E287-Y328 HydrophobicContact CB-CG 4.37Å; E287-Y328 VanDerWaalsContact CB-CZ 3.41Å; E287-Y328 HydrophobicContact CG-CD2 4.31Å; E287-Y328 HydrophobicContact CG-CE2 3.61Å; E287-Y328 PolarHBondContact N-O 3.14Å; E287-Y328 PolarHBondContact O-N 3.34Å; E287-H330 IonicContact OE1-CD2 2.71Å; E287-H330 IonicContact OE1-CE1 3.72Å; E287-H330 PolarHBondContact OE1-CE1 3.12Å; E287-H330 VanDerWaalsContact OE1-CE1 3.24Å; E287-H330 IonicContact OE1-NE2 4Å; E287-H330 PolarHBondContact OE1-NE2 3.46Å; E287-H330 VanDerWaalsContact OE1-NE2 3.1Å; E287-K334 WeakPolarHBondContact OE1-CA 3.42Å; E287-K334 VanDerWaalsContact OE1-O 3.12Å; E287-S335 VanDerWaalsContact CD-CA 3.4Å; E287-S335 VanDerWaalsContact CD-N 3.34Å; E287-S335 WeakPolarHBondContact OE1-CA 3.29Å; E287-S335 PolarHBondContact OE1-N 2.87Å; E287-S335 VanDerWaalsContact OE2-CA 3.25Å; E287-S335 WeakPolarHBondContact OE2-CA 3.32Å; E287-V336 HydrophobicContact CB-CB 4.02Å; E287-V336 HydrophobicContact CB-CG1 4.09Å; E287-V336 PolarHBondContact OE2-N 2.8Å |
| 288 | E | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.5 | -169.7 | 66.6 | -161.6 | 148.5 | 0 | 0 | 115.8 | G279 D280 G305 P324 A327 V336 | G279-E288 WeakPolarHBondContact CA-O 3.4Å; D280-E288 HydrophobicContact CB-CG 4.01Å; D280-E288 PolarHBondContact N-O 2.03Å; D280-E288 PolarHBondContact O-N 2.96Å; E288-G305 WeakPolarHBondContact OE2-CA 3.46Å; E288-G305 PolarHBondContact OE2-N 3Å; E288-P324 HydrophobicContact CB-CB 3.81Å; E288-P324 HydrophobicContact CB-CG 3.94Å; E288-P324 HydrophobicContact CG-CB 4.41Å; E288-P324 WeakPolarHBondContact OE2-CG 3.32Å; E288-A327 HydrophobicContact CB-CB 3.98Å; E288-V336 WeakPolarHBondContact O-CG1 3.34Å |
| 289 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.5 | 180 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | C278 P324 I325 F326 V336 Y354 F356 L367 | C278-V289 VanDerWaalsContact O-CA 3.3Å; C278-V289 WeakPolarHBondContact O-CA 3.21Å; C278-V289 WeakPolarHBondContact O-CG1 3.47Å; V289-P324 CarbonylContact O-C 3.5Å; V289-P324 VanDerWaalsContact O-CB 3.29Å; V289-P324 WeakPolarHBondContact O-CB 3.34Å; V289-I325 HydrophobicContact CB-CG1 4.3Å; V289-I325 HydrophobicContact CG1-CD1 3.98Å; V289-I325 HydrophobicContact CG1-CG1 3.94Å; V289-I325 WeakPolarHBondContact O-CG1 3.27Å; V289-I325 PolarHBondContact O-N 2.83Å; V289-F326 HydrophobicContact CB-CB 4.4Å; V289-F326 PolarHBondContact N-O 2.64Å; V289-F326 PolarHBondContact O-N 2.89Å; V289-V336 HydrophobicContact CG2-CG2 4.23Å; V289-Y354 HydrophobicContact CG1-CD1 4.16Å; V289-Y354 HydrophobicContact CG1-CE1 3.48Å; V289-Y354 VanDerWaalsContact CG1-CE1 3.48Å; V289-Y354 HydrophobicContact CG2-CE1 4.37Å; V289-F356 HydrophobicContact CG2-CD2 4.17Å; V289-F356 HydrophobicContact CG2-CE2 4.02Å; V289-L367 HydrophobicContact CB-CD1 4.37Å; V289-L367 HydrophobicContact CG1-CD1 4.04Å |
| 290 | D | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 156.7 | -174.3 | -73.5 | -65.3 | 0 | 0 | 0 | 113.4 | M257 F277 C278 I292 Y298 P324 | M257-D290 HydrophobicContact CE-CB 3.97Å; M257-D290 WeakPolarHBondContact CE-OD2 3.36Å; F277-D290 VanDerWaalsContact CA-O 3.32Å; F277-D290 WeakPolarHBondContact CA-O 3.35Å; C278-D290 PolarHBondContact N-O 2.79Å; C278-D290 PolarHBondContact O-N 3.18Å; D290-I292 HydrophobicContact CB-CD1 3.92Å; D290-Y298 HydrophobicContact CB-CD1 4.16Å; D290-Y298 HydrophobicContact CB-CE1 4.34Å; D290-Y298 VanDerWaalsContact OD1-CD1 3.31Å; D290-Y298 WeakPolarHBondContact OD1-CD1 3.43Å; D290-P324 WeakPolarHBondContact OD1-CA 3.31Å |
| 291 | I | 98.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 17% | 0.169 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.3 | 161.4 | -61.2 | 178.7 | 0 | 0 | 0 | 108.2 | R275 I276 F277 V293 I325 W376 | R275-I291 HydrophobicContact CB-CG2 4.27Å; R275-I291 HydrophobicContact CG-CG2 4.46Å; I276-I291 CarbonylContact O-C 3.59Å; I276-I291 VanDerWaalsContact O-CA 3.31Å; I276-I291 WeakPolarHBondContact O-CA 3.25Å; F277-I291 HydrophobicContact CD1-CD1 4.31Å; F277-I291 HydrophobicContact CD1-CG1 3.8Å; F277-I291 HydrophobicContact CE1-CD1 3.59Å; F277-I291 HydrophobicContact CE1-CG1 3.6Å; F277-I291 HydrophobicContact CG-CG1 4.41Å; F277-I291 HydrophobicContact CZ-CD1 3.75Å; F277-I291 HydrophobicContact CZ-CG1 4.05Å; I291-V293 PolarHBondContact O-N 3.27Å; I291-I325 HydrophobicContact CD1-CD1 4.14Å; I291-I325 HydrophobicContact CD1-CG2 3.9Å; I291-I325 HydrophobicContact CG1-CD1 3.98Å; I291-I325 HydrophobicContact CG1-CG1 4.38Å; I291-I325 HydrophobicContact CG1-CG2 3.9Å; I291-W376 HydrophobicContact CD1-CZ2 3.77Å |
| 292 | I | 98.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 117.9 | -170.9 | -48.2 | -58 | 0 | 0 | 0 | 111.1 | F189 V216 F250 A251 M257 I276 C278 D290 Y298 | F189-I292 HydrophobicContact CE1-CG1 4.28Å; V216-I292 HydrophobicContact CB-CG2 4.35Å; V216-I292 HydrophobicContact CG1-CG2 4.29Å; V216-I292 HydrophobicContact CG2-CG2 3.97Å; F250-I292 HydrophobicContact CD1-CG2 4.35Å; F250-I292 HydrophobicContact CE1-CG2 4.26Å; A251-I292 HydrophobicContact CB-CG2 4.19Å; M257-I292 HydrophobicContact CE-CD1 3.58Å; M257-I292 HydrophobicContact SD-CD1 3.75Å; I276-I292 HydrophobicContact CB-CB 4.06Å; I276-I292 HydrophobicContact CB-CG1 4.32Å; I276-I292 HydrophobicContact CG2-CB 4.04Å; I276-I292 HydrophobicContact CG2-CG1 3.8Å; I276-I292 PolarHBondContact O-N 2.84Å; C278-I292 HydrophobicContact CB-CD1 4.17Å; C278-I292 HydrophobicContact CB-CG1 4.39Å; C278-I292 VanDerWaalsContact SG-CG1 3.52Å; D290-I292 HydrophobicContact CB-CD1 3.92Å; I292-Y298 WeakPolarHBondContact CA-OH 3.4Å; I292-Y298 HydrophobicContact CD1-CE1 4.28Å; I292-Y298 HydrophobicContact CD1-CE2 4.05Å; I292-Y298 HydrophobicContact CG2-CE2 4.48Å |
| 293 | V | 98.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 41% | 0.412 | 15% | 0.145 | S | C | . | . | trans | -113.8 | 155.3 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | I291 G295 G296 Y298 I322 | I291-V293 PolarHBondContact O-N 3.27Å; V293-G295 PolarHBondContact O-N 3.36Å; V293-G296 PolarHBondContact O-N 3.3Å; V293-G296 VanDerWaalsContact O-N 3.15Å; V293-Y298 PolarHBondContact N-OH 2.93Å; V293-Y298 PolarHBondContact O-OH 2.79Å; V293-I322 HydrophobicContact CG2-CD1 3.28Å | ||
| 294 | K | 98.1 | Very high | 96.8 | Very high | 106 Ų | 106 | 28.4 Ų | 28.4 | 46% | 0.461 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 121.3 | -178.7 | -179.2 | 173.7 | 176.3 | 170.3 | 0 | 111.8 | D236 P238 F250 G296 | D236-K294 WeakPolarHBondContact O-CE 3.3Å; D236-K294 PolarHBondContact O-NZ 3.4Å; D236-K294 IonicContact OD2-NZ 2.82Å; D236-K294 PolarHBondContact OD2-NZ 3.22Å; P238-K294 HydrophobicContact CB-CG 4.23Å; P238-K294 HydrophobicContact CG-CG 4.13Å; F250-K294 HydrophobicContact CD2-CB 4.49Å; F250-K294 HydrophobicContact CD2-CG 4.27Å; F250-K294 HydrophobicContact CE1-CB 4.29Å; F250-K294 HydrophobicContact CE2-CB 3.66Å; F250-K294 HydrophobicContact CE2-CD 4.2Å; F250-K294 HydrophobicContact CE2-CG 3.71Å; F250-K294 VanDerWaalsContact CZ-CA 3.46Å; F250-K294 HydrophobicContact CZ-CB 3.55Å; F250-K294 HydrophobicContact CZ-CG 4.15Å; K294-G296 VanDerWaalsContact C-N 3.26Å |
| 295 | G | 98.2 | Very high | 97 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 26% | 0.258 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 5.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F250 V293 | F250-G295 WeakPolarHBondContact O-CA 3.46Å; F250-G295 PolarHBondContact O-N 2.89Å; V293-G295 PolarHBondContact O-N 3.36Å |
| 296 | G | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | trans | -63.1 | 149 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A251 Y252 V293 K294 | A251-G296 WeakPolarHBondContact CA-O 3.32Å; A251-G296 WeakPolarHBondContact CB-O 3.26Å; Y252-G296 WeakPolarHBondContact CD1-O 3.34Å; Y252-G296 PolarHBondContact N-O 2.89Å; V293-G296 PolarHBondContact O-N 3.3Å; V293-G296 VanDerWaalsContact O-N 3.15Å; K294-G296 VanDerWaalsContact C-N 3.26Å | ||
| 297 | N | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 113.6 | 170.3 | -175.8 | 5.1 | 0 | 0 | 0 | 107.9 | Q207 Y252 G253 G299 L319 D321 I322 | Q207-N297 PolarHBondContact NE2-OD1 2.78Å; Q207-N297 PolarHBondContact OE1-ND2 2.92Å; Y252-N297 HydrophobicContact CD1-CB 4.44Å; Y252-N297 HydrophobicContact CD2-CB 4.47Å; Y252-N297 HydrophobicContact CE1-CB 3.85Å; Y252-N297 HydrophobicContact CE2-CB 3.89Å; Y252-N297 WeakPolarHBondContact CE2-ND2 3.43Å; Y252-N297 CarbonylContact O-C 3.42Å; Y252-N297 VanDerWaalsContact O-CA 3.31Å; Y252-N297 WeakPolarHBondContact O-CA 3.31Å; Y252-N297 PolarHBondContact OH-ND2 2.87Å; G253-N297 WeakPolarHBondContact CA-OD1 3.22Å; N297-G299 PolarHBondContact O-N 2.94Å; N297-G299 PolarHBondContact OD1-N 2.87Å; N297-G299 VanDerWaalsContact OD1-N 3.09Å; N297-L319 PolarHBondContact ND2-O 3.45Å; N297-D321 CarbonylContact O-C 3.44Å; N297-D321 VanDerWaalsContact O-CA 3.25Å; N297-D321 WeakPolarHBondContact O-CA 3.33Å; N297-I322 PolarHBondContact O-N 2.84Å |
| 298 | Y | 97.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | trans | -87.3 | 9.1 | 179.2 | -52.1 | -81.4 | 0 | 0 | 0 | 112.3 | A251 Y252 G253 V254 M257 D290 I292 V293 W300 I322 | A251-Y298 HydrophobicContact CB-CE2 3.78Å; Y252-Y298 WeakPolarHBondContact O-CD2 3.49Å; Y252-Y298 PolarHBondContact O-N 3.37Å; G253-Y298 CarbonylContact O-C 3.58Å; G253-Y298 WeakPolarHBondContact O-CA 3.17Å; G253-Y298 WeakPolarHBondContact O-CB 3.24Å; V254-Y298 HydrophobicContact CG1-CD2 3.4Å; V254-Y298 HydrophobicContact CG1-CE2 4.22Å; V254-Y298 HydrophobicContact CG1-CG 4.09Å; M257-Y298 HydrophobicContact CE-CD2 4.48Å; M257-Y298 HydrophobicContact CE-CG 4.47Å; D290-Y298 HydrophobicContact CB-CD1 4.16Å; D290-Y298 HydrophobicContact CB-CE1 4.34Å; D290-Y298 VanDerWaalsContact OD1-CD1 3.31Å; D290-Y298 WeakPolarHBondContact OD1-CD1 3.43Å; I292-Y298 WeakPolarHBondContact CA-OH 3.4Å; I292-Y298 HydrophobicContact CD1-CE1 4.28Å; I292-Y298 HydrophobicContact CD1-CE2 4.05Å; I292-Y298 HydrophobicContact CG2-CE2 4.48Å; V293-Y298 PolarHBondContact N-OH 2.93Å; V293-Y298 PolarHBondContact O-OH 2.79Å; Y298-W300 VanDerWaalsContact C-N 3.3Å; Y298-W300 PolarHBondContact O-N 2.95Å; Y298-I322 HydrophobicContact CD1-CB 4.29Å; Y298-I322 HydrophobicContact CD1-CG2 4.49Å; Y298-I322 HydrophobicContact CE1-CB 4.21Å; Y298-I322 HydrophobicContact CE1-CD1 4.46Å; Y298-I322 HydrophobicContact CE1-CG2 4.2Å | ||
| 299 | G | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 82.2 | -13.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G253 N297 R301 A302 K303 | G253-G299 PolarHBondContact O-N 2.8Å; N297-G299 PolarHBondContact O-N 2.94Å; N297-G299 PolarHBondContact OD1-N 2.87Å; N297-G299 VanDerWaalsContact OD1-N 3.09Å; G299-R301 PolarHBondContact O-N 2.73Å; G299-A302 VanDerWaalsContact O-CA 3.3Å; G299-A302 WeakPolarHBondContact O-CA 3.5Å; G299-A302 WeakPolarHBondContact O-CB 3.19Å; G299-A302 PolarHBondContact O-N 3.18Å; G299-K303 PolarHBondContact O-N 3.15Å | ||
| 300 | W | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.5 | 173.9 | 177.7 | -107.7 | 0 | 0 | 0 | 110.7 | D192 D198 A206 Q207 G253 R255 Q283 Y298 Y309 | D192-W300 PolarHBondContact OD2-NE1 2.9Å; D198-W300 HydrophobicContact CB-CZ2 4.3Å; A206-W300 HydrophobicContact CB-CG 4.39Å; A206-W300 VanDerWaalsContact CB-O 3.27Å; A206-W300 WeakPolarHBondContact CB-O 3.49Å; Q207-W300 WeakPolarHBondContact CG-O 3.36Å; Q207-W300 PolarHBondContact NE2-O 2.94Å; G253-W300 WeakPolarHBondContact CA-O 3.35Å; G253-W300 WeakPolarHBondContact O-CB 3.47Å; G253-W300 PolarHBondContact O-N 3.45Å; R255-W300 VanDerWaalsContact CA-CD1 3.46Å; R255-W300 HydrophobicContact CB-CB 4.18Å; R255-W300 HydrophobicContact CB-CD2 3.86Å; R255-W300 HydrophobicContact CB-CG 3.6Å; R255-W300 VanDerWaalsContact CD-CE2 3.49Å; R255-W300 HydrophobicContact CG-CD2 3.87Å; R255-W300 HydrophobicContact CG-CG 4.08Å; R255-W300 HydrophobicContact CG-CZ2 4.11Å; Q283-W300 HydrophobicContact CB-CH2 3.65Å; Q283-W300 HydrophobicContact CB-CZ3 3.83Å; Q283-W300 HydrophobicContact CG-CH2 3.79Å; Q283-W300 HydrophobicContact CG-CZ3 4.38Å; Y298-W300 VanDerWaalsContact C-N 3.3Å; Y298-W300 PolarHBondContact O-N 2.95Å; W300-Y309 HydrophobicContact CH2-CD1 4.04Å; W300-Y309 HydrophobicContact CH2-CD2 4.37Å; W300-Y309 AromaticContact CH2-CE1 3.93Å; W300-Y309 HydrophobicContact CH2-CE1 3.93Å; W300-Y309 HydrophobicContact CH2-CE2 4.27Å; W300-Y309 HydrophobicContact CH2-CG 4.26Å; W300-Y309 AromaticContact CZ3-CD1 3.94Å; W300-Y309 HydrophobicContact CZ3-CD1 3.94Å; W300-Y309 HydrophobicContact CZ3-CD2 4.02Å; W300-Y309 HydrophobicContact CZ3-CE1 4.29Å; W300-Y309 HydrophobicContact CZ3-CE2 4.37Å; W300-Y309 AromaticContact CZ3-CG 3.8Å; W300-Y309 HydrophobicContact CZ3-CG 3.8Å |
| 301 | R | 95.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -96 | 16.2 | 3.8 | 70.1 | 161.2 | -147.6 | -122.1 | -3.5 | 116.5 | G197 D198 G299 Y309 D310 L313 | G197-R301 WeakPolarHBondContact O-CD 3.37Å; D198-R301 HydrophobicContact CB-CB 4.21Å; D198-R301 HydrophobicContact CB-CG 4.33Å; D198-R301 PolarHBondContact O-NH1 2.89Å; G299-R301 PolarHBondContact O-N 2.73Å; R301-Y309 HydrophobicContact CB-CD1 4.44Å; R301-Y309 WeakPolarHBondContact O-CD1 2.93Å; R301-D310 IonicContact CZ-OD2 3.55Å; R301-D310 IonicContact NE-OD2 3.27Å; R301-D310 PolarHBondContact NE-OD2 2.8Å; R301-D310 IonicContact NH2-OD2 2.89Å; R301-D310 PolarHBondContact NH2-OD2 3.2Å; R301-D310 WeakPolarHBondContact O-CB 3.41Å; R301-D310 PolarHBondContact O-N 2.87Å; R301-L313 HydrophobicContact CG-CD1 4.16Å |
| 302 | A | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | G299 Y309 D310 L313 C314 L319 | G299-A302 VanDerWaalsContact O-CA 3.3Å; G299-A302 WeakPolarHBondContact O-CA 3.5Å; G299-A302 WeakPolarHBondContact O-CB 3.19Å; G299-A302 PolarHBondContact O-N 3.18Å; A302-Y309 PolarHBondContact O-N 2.85Å; A302-D310 PolarHBondContact O-N 2.94Å; A302-L313 HydrophobicContact CB-CB 3.56Å; A302-C314 WeakPolarHBondContact O-CB 3.43Å; A302-L319 HydrophobicContact CB-CD1 4.1Å; A302-L319 HydrophobicContact CB-CD2 3.6Å |
| 303 | K | 94.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 44 Ų | 44 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 164.7 | 176.9 | -68.6 | -171.8 | -179.1 | 176.4 | 0 | 112.6 | G299 E307 D321 L323 | G299-K303 PolarHBondContact O-N 3.15Å; K303-E307 CarbonylContact C-O 3.58Å; K303-E307 WeakPolarHBondContact CA-O 3.27Å; K303-E307 WeakPolarHBondContact CB-O 3.46Å; K303-D321 WeakPolarHBondContact CD-OD2 3.23Å; K303-D321 WeakPolarHBondContact CE-OD1 3.06Å; K303-D321 WeakPolarHBondContact CE-OD2 3.12Å; K303-D321 IonicContact NZ-OD1 3.85Å; K303-D321 PolarHBondContact NZ-OD1 2.77Å; K303-D321 IonicContact NZ-OD2 3Å; K303-D321 PolarHBondContact NZ-OD2 2.96Å; K303-L323 HydrophobicContact CD-CD2 3.92Å |
| 304 | E | 94.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 106.8 | 172.3 | 175.3 | -177.5 | -163.4 | 0 | 0 | 106.2 | Q283 N284 R285 Y286 E307 Y309 | Q283-E304 WeakPolarHBondContact CA-OE1 3.38Å; Q283-E304 WeakPolarHBondContact CB-OE1 3.31Å; Q283-E304 PolarHBondContact N-OE1 2.77Å; N284-E304 PolarHBondContact N-OE1 3.17Å; R285-E304 PolarHBondContact N-OE1 2.76Å; Y286-E304 PolarHBondContact N-OE1 2.88Å; E304-E307 PolarHBondContact N-O 2.93Å; E304-E307 PolarHBondContact O-N 2.97Å; E304-Y309 WeakPolarHBondContact OE2-CD2 3.37Å |
| 305 | G | 94.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -139.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E288 E307 | E288-G305 WeakPolarHBondContact OE2-CA 3.46Å; E288-G305 PolarHBondContact OE2-N 3Å; G305-E307 PolarHBondContact O-N 2.93Å |
| 306 | F | 92.9 | Very high | 94.1 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.4 | 176 | -54.2 | -61.7 | 0 | 0 | 0 | 114.1 | L323 P324 A327 | F306-L323 HydrophobicContact CD1-CB 4.34Å; F306-L323 HydrophobicContact CD1-CD1 4.36Å; F306-L323 HydrophobicContact CD1-CD2 4.38Å; F306-L323 HydrophobicContact CE1-CB 4.32Å; F306-P324 HydrophobicContact CD1-CG 4.34Å; F306-P324 HydrophobicContact CE1-CG 3.91Å; F306-P324 WeakPolarHBondContact CE1-O 3.39Å; F306-P324 HydrophobicContact CZ-CG 4.24Å; F306-A327 HydrophobicContact CD2-CB 4.04Å; F306-A327 HydrophobicContact CE2-CB 3.73Å; F306-A327 HydrophobicContact CZ-CB 4.24Å |
| 307 | E | 93.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 158.3 | -176.5 | -82.1 | -170.8 | -154.5 | 0 | 0 | 114 | R285 Y286 K303 E304 G305 | R285-E307 WeakPolarHBondContact CD-OE2 3.37Å; R285-E307 IonicContact CZ-OE2 2.73Å; R285-E307 IonicContact NE-OE2 3.7Å; R285-E307 IonicContact NH1-OE2 3.83Å; R285-E307 PolarHBondContact NH1-OE2 2.67Å; Y286-E307 HydrophobicContact CD2-CB 4.43Å; Y286-E307 HydrophobicContact CE2-CB 4.1Å; Y286-E307 VanDerWaalsContact CE2-CD 3.4Å; Y286-E307 HydrophobicContact CE2-CG 3.78Å; Y286-E307 WeakPolarHBondContact CE2-OE1 3.25Å; Y286-E307 PolarHBondContact OH-OE1 3.48Å; K303-E307 CarbonylContact C-O 3.58Å; K303-E307 WeakPolarHBondContact CA-O 3.27Å; K303-E307 WeakPolarHBondContact CB-O 3.46Å; E304-E307 PolarHBondContact N-O 2.93Å; E304-E307 PolarHBondContact O-N 2.97Å; G305-E307 PolarHBondContact O-N 2.93Å |
| 308 | C | 94.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 56 Ų | 56 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.8 | 166.9 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | R285 C314 | R285-C308 PolarHBondContact NH1-O 2.74Å; R285-C308 PolarHBondContact NH2-O 3.41Å; C308-C314 WeakPolarHBondContact CA-SG 3.44Å; C308-C314 HydrophobicContact CB-CB 3.48Å; C308-C314 VanDerWaalsContact CB-CB 3.48Å; C308-C314 WeakPolarHBondContact CB-SG 3.06Å; C308-C314 WeakPolarHBondContact SG-CB 3.44Å; C308-C314 CovalentContact SG-SG 2.03Å; C308-C314 PolarHBondContact SG-SG 3.36Å |
| 309 | Y | 94.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -89.5 | -74.5 | 167.1 | -176.4 | -93.8 | 0 | 0 | 0 | 110 | G197 Q283 W300 R301 A302 E304 I311 | G197-Y309 WeakPolarHBondContact CA-OH 3.36Å; Q283-Y309 HydrophobicContact CB-CE2 4.16Å; Q283-Y309 HydrophobicContact CG-CD2 4.44Å; Q283-Y309 HydrophobicContact CG-CE2 3.6Å; W300-Y309 HydrophobicContact CH2-CD1 4.04Å; W300-Y309 HydrophobicContact CH2-CD2 4.37Å; W300-Y309 AromaticContact CH2-CE1 3.93Å; W300-Y309 HydrophobicContact CH2-CE1 3.93Å; W300-Y309 HydrophobicContact CH2-CE2 4.27Å; W300-Y309 HydrophobicContact CH2-CG 4.26Å; W300-Y309 AromaticContact CZ3-CD1 3.94Å; W300-Y309 HydrophobicContact CZ3-CD1 3.94Å; W300-Y309 HydrophobicContact CZ3-CD2 4.02Å; W300-Y309 HydrophobicContact CZ3-CE1 4.29Å; W300-Y309 HydrophobicContact CZ3-CE2 4.37Å; W300-Y309 AromaticContact CZ3-CG 3.8Å; W300-Y309 HydrophobicContact CZ3-CG 3.8Å; R301-Y309 HydrophobicContact CB-CD1 4.44Å; R301-Y309 WeakPolarHBondContact O-CD1 2.93Å; A302-Y309 PolarHBondContact O-N 2.85Å; E304-Y309 WeakPolarHBondContact OE2-CD2 3.37Å; Y309-I311 PolarHBondContact O-N 2.97Å |
| 310 | D | 93.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -83.2 | 95.1 | 170.5 | -171 | -29.5 | 0 | 0 | 0 | 109.5 | R301 A302 K312 L313 C314 | R301-D310 IonicContact CZ-OD2 3.55Å; R301-D310 IonicContact NE-OD2 3.27Å; R301-D310 PolarHBondContact NE-OD2 2.8Å; R301-D310 IonicContact NH2-OD2 2.89Å; R301-D310 PolarHBondContact NH2-OD2 3.2Å; R301-D310 WeakPolarHBondContact O-CB 3.41Å; R301-D310 PolarHBondContact O-N 2.87Å; A302-D310 PolarHBondContact O-N 2.94Å; D310-K312 PolarHBondContact O-N 3.11Å; D310-K312 PolarHBondContact OD1-N 2.73Å; D310-L313 HydrophobicContact CB-CB 4.17Å; D310-L313 HydrophobicContact CB-CD1 4Å; D310-L313 HydrophobicContact CB-CG 4.09Å; D310-L313 PolarHBondContact O-N 2.73Å; D310-L313 PolarHBondContact OD1-N 2.74Å; D310-L313 WeakPolarHBondContact OD2-CD1 3.38Å; D310-C314 WeakPolarHBondContact O-CB 3.29Å; D310-C314 PolarHBondContact O-N 3.15Å |
| 311 | I | 91.6 | Very high | 91.6 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 54% | 0.538 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -50.7 | -35.2 | -177.4 | -62 | 171.9 | 0 | 0 | 0 | 112.3 | Y309 Q315 | Y309-I311 PolarHBondContact O-N 2.97Å; I311-Q315 WeakPolarHBondContact O-CB 3.47Å; I311-Q315 VanDerWaalsContact O-CG 3.27Å; I311-Q315 WeakPolarHBondContact O-CG 3.45Å; I311-Q315 PolarHBondContact O-N 3.32Å; I311-Q315 VanDerWaalsContact O-N 3.15Å |
| 312 | K | 91.1 | Very high | 91.7 | Very high | 179 Ų | 179 | 65.7 Ų | 65.7 | 78% | 0.778 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.3 | -33.4 | -178 | -66.2 | 178.9 | -179.7 | 174.9 | 0 | 112.4 | D310 | D310-K312 PolarHBondContact O-N 3.11Å; D310-K312 PolarHBondContact OD1-N 2.73Å |
| 313 | L | 91.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79.3 | -38 | 173.8 | -58.1 | 179.5 | 0 | 0 | 0 | 111.1 | Y203 R301 A302 D310 Q315 N316 | Y203-L313 HydrophobicContact CD1-CD2 3.85Å; R301-L313 HydrophobicContact CG-CD1 4.16Å; A302-L313 HydrophobicContact CB-CB 3.56Å; D310-L313 HydrophobicContact CB-CB 4.17Å; D310-L313 HydrophobicContact CB-CD1 4Å; D310-L313 HydrophobicContact CB-CG 4.09Å; D310-L313 PolarHBondContact O-N 2.73Å; D310-L313 PolarHBondContact OD1-N 2.74Å; D310-L313 WeakPolarHBondContact OD2-CD1 3.38Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.89Å; L313-N316 WeakPolarHBondContact O-CB 3.47Å; L313-N316 PolarHBondContact O-N 3.33Å |
| 314 | C | 91.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -30.9 | 179.8 | -164.8 | 0 | 0 | 0 | 0 | 113.3 | A302 C308 D310 N316 | A302-C314 WeakPolarHBondContact O-CB 3.43Å; C308-C314 WeakPolarHBondContact CA-SG 3.44Å; C308-C314 HydrophobicContact CB-CB 3.48Å; C308-C314 VanDerWaalsContact CB-CB 3.48Å; C308-C314 WeakPolarHBondContact CB-SG 3.06Å; C308-C314 WeakPolarHBondContact SG-CB 3.44Å; C308-C314 CovalentContact SG-SG 2.03Å; C308-C314 PolarHBondContact SG-SG 3.36Å; D310-C314 WeakPolarHBondContact O-CB 3.29Å; D310-C314 PolarHBondContact O-N 3.15Å; C314-N316 VanDerWaalsContact C-N 3.25Å; C314-N316 PolarHBondContact O-N 2.84Å |
| 315 | Q | 90.3 | Very high | 91.9 | Very high | 152 Ų | 152 | 70.4 Ų | 70.4 | 71% | 0.71 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3 | 175.4 | -72.9 | 175.1 | -7.2 | 0 | 0 | 113.9 | I311 L313 A317 | I311-Q315 WeakPolarHBondContact O-CB 3.47Å; I311-Q315 VanDerWaalsContact O-CG 3.27Å; I311-Q315 WeakPolarHBondContact O-CG 3.45Å; I311-Q315 PolarHBondContact O-N 3.32Å; I311-Q315 VanDerWaalsContact O-N 3.15Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.89Å; Q315-A317 PolarHBondContact O-N 2.95Å |
| 316 | N | 89.3 | Confident | 92.1 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | trans | -76.9 | 104.6 | 176.2 | -177.6 | 11.4 | 0 | 0 | 0 | 110.5 | L313 C314 S318 L319 | L313-N316 WeakPolarHBondContact O-CB 3.47Å; L313-N316 PolarHBondContact O-N 3.33Å; C314-N316 VanDerWaalsContact C-N 3.25Å; C314-N316 PolarHBondContact O-N 2.84Å; N316-S318 PolarHBondContact O-N 2.71Å; N316-S318 WeakPolarHBondContact OD1-CB 3.34Å; N316-S318 PolarHBondContact OD1-N 3.39Å; N316-S318 VanDerWaalsContact OD1-N 3.1Å; N316-L319 WeakPolarHBondContact O-CB 3.09Å; N316-L319 PolarHBondContact O-N 3.02Å | ||
| 317 | A | 78.8 | Confident | 92.3 | Very high | 103 Ų | 103 | 67.3 Ų | 67.3 | 85% | 0.851 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -57.3 | -21.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q315 L319 | Q315-A317 PolarHBondContact O-N 2.95Å; A317-L319 VanDerWaalsContact C-N 3.3Å; A317-L319 PolarHBondContact O-N 2.75Å |
| 318 | S | 86 | Confident | 92.5 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -84.7 | 6.5 | 175.4 | -52.8 | 0 | 0 | 0 | 0 | 114.2 | N316 N320 | N316-S318 PolarHBondContact O-N 2.71Å; N316-S318 WeakPolarHBondContact OD1-CB 3.34Å; N316-S318 PolarHBondContact OD1-N 3.39Å; N316-S318 VanDerWaalsContact OD1-N 3.1Å; S318-N320 VanDerWaalsContact C-N 3.31Å |
| 319 | L | 87.1 | Confident | 92.6 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -64 | -37.4 | 176.8 | -175.8 | 68.2 | 0 | 0 | 0 | 111.7 | Q207 N297 A302 N316 A317 D321 | Q207-L319 VanDerWaalsContact OE1-CD1 3.32Å; N297-L319 PolarHBondContact ND2-O 3.45Å; A302-L319 HydrophobicContact CB-CD1 4.1Å; A302-L319 HydrophobicContact CB-CD2 3.6Å; N316-L319 WeakPolarHBondContact O-CB 3.09Å; N316-L319 PolarHBondContact O-N 3.02Å; A317-L319 VanDerWaalsContact C-N 3.3Å; A317-L319 PolarHBondContact O-N 2.75Å; L319-D321 VanDerWaalsContact C-N 3.28Å; L319-D321 HydrophobicContact CD2-CB 3.96Å; L319-D321 HydrophobicContact CG-CB 4.09Å; L319-D321 PolarHBondContact O-N 2.73Å |
| 320 | N | 90.8 | Very high | 92.6 | Very high | 131 Ų | 131 | 62.4 Ų | 62.4 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | trans | 47.2 | 50.6 | -178.1 | -167.8 | 90.2 | 0 | 0 | 0 | 111.9 | S318 | S318-N320 VanDerWaalsContact C-N 3.31Š| ||
| 321 | D | 94.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | trans | -75.1 | 155.3 | 178.7 | 66.4 | -90 | 0 | 0 | 0 | 112.6 | N297 K303 L319 | N297-D321 CarbonylContact O-C 3.44Å; N297-D321 VanDerWaalsContact O-CA 3.25Å; N297-D321 WeakPolarHBondContact O-CA 3.33Å; K303-D321 WeakPolarHBondContact CD-OD2 3.23Å; K303-D321 WeakPolarHBondContact CE-OD1 3.06Å; K303-D321 WeakPolarHBondContact CE-OD2 3.12Å; K303-D321 IonicContact NZ-OD1 3.85Å; K303-D321 PolarHBondContact NZ-OD1 2.77Å; K303-D321 IonicContact NZ-OD2 3Å; K303-D321 PolarHBondContact NZ-OD2 2.96Å; L319-D321 VanDerWaalsContact C-N 3.28Å; L319-D321 HydrophobicContact CD2-CB 3.96Å; L319-D321 HydrophobicContact CG-CB 4.09Å; L319-D321 PolarHBondContact O-N 2.73Å | ||
| 322 | I | 96.5 | Very high | 92.5 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | trans | -107.3 | 122.3 | 170.3 | -58.8 | -178.1 | 0 | 0 | 0 | 105.8 | V293 N297 Y298 | V293-I322 HydrophobicContact CG2-CD1 3.28Å; N297-I322 PolarHBondContact O-N 2.84Å; Y298-I322 HydrophobicContact CD1-CB 4.29Å; Y298-I322 HydrophobicContact CD1-CG2 4.49Å; Y298-I322 HydrophobicContact CE1-CB 4.21Å; Y298-I322 HydrophobicContact CE1-CD1 4.46Å; Y298-I322 HydrophobicContact CE1-CG2 4.2Å | ||
| 323 | L | 95.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 59 Ų | 59 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | trans | -74.6 | 147.3 | 174.5 | -67 | 176.6 | 0 | 0 | 0 | 110.5 | K303 F306 | K303-L323 HydrophobicContact CD-CD2 3.92Å; F306-L323 HydrophobicContact CD1-CB 4.34Å; F306-L323 HydrophobicContact CD1-CD1 4.36Å; F306-L323 HydrophobicContact CD1-CD2 4.38Å; F306-L323 HydrophobicContact CE1-CB 4.32Å | ||
| 324 | P | 97.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | trans | -63.5 | 155.1 | 177.9 | 28.7 | -38.2 | 0 | 0 | 0 | 111.9 | E288 V289 D290 F306 F326 A327 | E288-P324 HydrophobicContact CB-CB 3.81Å; E288-P324 HydrophobicContact CB-CG 3.94Å; E288-P324 HydrophobicContact CG-CB 4.41Å; E288-P324 WeakPolarHBondContact OE2-CG 3.32Å; V289-P324 CarbonylContact O-C 3.5Å; V289-P324 VanDerWaalsContact O-CB 3.29Å; V289-P324 WeakPolarHBondContact O-CB 3.34Å; D290-P324 WeakPolarHBondContact OD1-CA 3.31Å; F306-P324 HydrophobicContact CD1-CG 4.34Å; F306-P324 HydrophobicContact CE1-CG 3.91Å; F306-P324 WeakPolarHBondContact CE1-O 3.39Å; F306-P324 HydrophobicContact CZ-CG 4.24Å; P324-F326 PolarHBondContact O-N 2.85Å; P324-A327 HydrophobicContact CG-CB 4.08Å | ||
| 325 | I | 97.6 | Very high | 93 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -72.1 | -22.8 | 175.9 | 59.1 | 154.4 | 0 | 0 | 0 | 112.6 | F277 V289 I291 L367 W376 | F277-I325 HydrophobicContact CD1-CD1 4.04Å; F277-I325 HydrophobicContact CE1-CD1 3.85Å; V289-I325 HydrophobicContact CB-CG1 4.3Å; V289-I325 HydrophobicContact CG1-CD1 3.98Å; V289-I325 HydrophobicContact CG1-CG1 3.94Å; V289-I325 WeakPolarHBondContact O-CG1 3.27Å; V289-I325 PolarHBondContact O-N 2.83Å; I291-I325 HydrophobicContact CD1-CD1 4.14Å; I291-I325 HydrophobicContact CD1-CG2 3.9Å; I291-I325 HydrophobicContact CG1-CD1 3.98Å; I291-I325 HydrophobicContact CG1-CG1 4.38Å; I291-I325 HydrophobicContact CG1-CG2 3.9Å; I325-L367 HydrophobicContact CD1-CD1 3.79Å; I325-L367 HydrophobicContact CG1-CD1 4.34Å; I325-W376 HydrophobicContact CB-CG 4.12Å; I325-W376 HydrophobicContact CD1-CD2 3.83Å; I325-W376 HydrophobicContact CD1-CE3 4.4Å; I325-W376 HydrophobicContact CD1-CG 3.97Å; I325-W376 HydrophobicContact CD1-CZ2 4.35Å |
| 326 | F | 97.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 141.9 | 174.6 | -178.4 | -107.6 | 0 | 0 | 0 | 109.6 | V289 P324 Y328 F356 L367 E378 | V289-F326 HydrophobicContact CB-CB 4.4Å; V289-F326 PolarHBondContact N-O 2.64Å; V289-F326 PolarHBondContact O-N 2.89Å; P324-F326 PolarHBondContact O-N 2.85Å; F326-Y328 HydrophobicContact CD1-CD1 4.18Å; F326-Y328 AromaticContact CE1-CD1 3.68Å; F326-Y328 HydrophobicContact CE1-CD1 3.68Å; F326-Y328 HydrophobicContact CE1-CG 4.32Å; F326-F356 HydrophobicContact CD1-CE2 4.39Å; F326-F356 AromaticContact CD1-CZ 3.86Å; F326-F356 HydrophobicContact CD1-CZ 3.86Å; F326-F356 HydrophobicContact CE1-CE2 4.36Å; F326-F356 AromaticContact CE1-CZ 3.79Å; F326-F356 HydrophobicContact CE1-CZ 3.79Å; F326-L367 HydrophobicContact CB-CD1 3.61Å; F326-L367 HydrophobicContact CB-CD2 3.88Å; F326-L367 HydrophobicContact CB-CG 4.42Å; F326-L367 HydrophobicContact CD1-CD2 3.81Å; F326-L367 HydrophobicContact CD2-CD2 3.86Å; F326-L367 HydrophobicContact CE1-CD2 4.25Å; F326-L367 HydrophobicContact CE2-CD2 4.31Å; F326-L367 HydrophobicContact CG-CD1 4.21Å; F326-L367 HydrophobicContact CG-CD2 3.58Å; F326-L367 HydrophobicContact CZ-CD2 4.49Å; F326-E378 HydrophobicContact CE2-CB 3.92Å; F326-E378 HydrophobicContact CE2-CG 4.26Å; F326-E378 HydrophobicContact CZ-CB 4.09Å; F326-E378 HydrophobicContact CZ-CG 3.91Å |
| 327 | A | 97.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E287 E288 F306 P324 | E287-A327 CarbonylContact O-C 3.58Å; E287-A327 WeakPolarHBondContact O-CA 3.3Å; E288-A327 HydrophobicContact CB-CB 3.98Å; F306-A327 HydrophobicContact CD2-CB 4.04Å; F306-A327 HydrophobicContact CE2-CB 3.73Å; F306-A327 HydrophobicContact CZ-CB 4.24Å; P324-A327 HydrophobicContact CG-CB 4.08Å |
| 328 | Y | 96.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.3 | -177.6 | 64.8 | -93.3 | 0 | 0 | 0 | 111.6 | Y286 E287 F326 V332 V336 F356 D358 M365 | Y286-Y328 VanDerWaalsContact CA-O 3.32Å; Y286-Y328 WeakPolarHBondContact CA-O 3.48Å; E287-Y328 HydrophobicContact CB-CD1 4.16Å; E287-Y328 HydrophobicContact CB-CD2 4.08Å; E287-Y328 HydrophobicContact CB-CE1 3.7Å; E287-Y328 HydrophobicContact CB-CE2 3.57Å; E287-Y328 HydrophobicContact CB-CG 4.37Å; E287-Y328 VanDerWaalsContact CB-CZ 3.41Å; E287-Y328 HydrophobicContact CG-CD2 4.31Å; E287-Y328 HydrophobicContact CG-CE2 3.61Å; E287-Y328 PolarHBondContact N-O 3.14Å; E287-Y328 PolarHBondContact O-N 3.34Å; F326-Y328 HydrophobicContact CD1-CD1 4.18Å; F326-Y328 AromaticContact CE1-CD1 3.68Å; F326-Y328 HydrophobicContact CE1-CD1 3.68Å; F326-Y328 HydrophobicContact CE1-CG 4.32Å; Y328-V332 HydrophobicContact CD2-CB 4.17Å; Y328-V332 HydrophobicContact CD2-CG1 4.39Å; Y328-V336 HydrophobicContact CE1-CB 4.18Å; Y328-V336 HydrophobicContact CE1-CG2 4.31Å; Y328-V336 WeakPolarHBondContact OH-CA 3.47Å; Y328-V336 WeakPolarHBondContact OH-CB 3.32Å; Y328-F356 HydrophobicContact CE1-CE2 4.06Å; Y328-D358 WeakPolarHBondContact OH-CB 3.48Å; Y328-D358 PolarHBondContact OH-OD2 3.02Å; Y328-M365 HydrophobicContact CD1-CE 4.49Å; Y328-M365 HydrophobicContact CE1-CE 3.96Å |
| 329 | S | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 159.9 | -171.7 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | R285 H331 V332 G333 | R285-S329 CarbonylContact O-C 3.53Å; R285-S329 WeakPolarHBondContact O-CA 3.32Å; S329-H331 PolarHBondContact O-N 2.84Å; S329-V332 PolarHBondContact O-N 3.37Å; S329-G333 PolarHBondContact O-N 3.23Å |
| 330 | H | 94.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 6.7 | 178.5 | -75.6 | -141.6 | 0 | 0 | 0 | 114.4 | N284 R285 Y286 E287 G333 | N284-H330 VanDerWaalsContact C-ND1 3.31Å; N284-H330 PolarHBondContact O-ND1 3.37Å; R285-H330 PolarHBondContact O-CD2 2.98Å; R285-H330 PolarHBondContact O-N 3.19Å; Y286-H330 PolarHBondContact N-CD2 2.81Å; Y286-H330 PolarHBondContact N-NE2 2.85Å; E287-H330 IonicContact OE1-CD2 2.71Å; E287-H330 IonicContact OE1-CE1 3.72Å; E287-H330 PolarHBondContact OE1-CE1 3.12Å; E287-H330 VanDerWaalsContact OE1-CE1 3.24Å; E287-H330 IonicContact OE1-NE2 4Å; E287-H330 PolarHBondContact OE1-NE2 3.46Å; E287-H330 VanDerWaalsContact OE1-NE2 3.1Å; H330-G333 CarbonylContact C-O 3.48Å; H330-G333 VanDerWaalsContact C-O 3.32Å; H330-G333 WeakPolarHBondContact CA-O 3.3Å |
| 331 | H | 91.9 | Very high | 96.2 | Very high | 187 Ų | 187 | 37 Ų | 37 | 87% | 0.866 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -16.7 | 167.1 | -59.7 | -58.6 | 0 | 0 | 0 | 113.1 | S329 | S329-H331 PolarHBondContact O-N 2.84Š|
| 332 | V | 91.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 35 Ų | 35 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -42.4 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | Y328 S329 | Y328-V332 HydrophobicContact CD2-CB 4.17Å; Y328-V332 HydrophobicContact CD2-CG1 4.39Å; S329-V332 PolarHBondContact O-N 3.37Å |
| 333 | G | 93.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -146 | -168.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S329 H330 D358 | S329-G333 PolarHBondContact O-N 3.23Å; H330-G333 CarbonylContact C-O 3.48Å; H330-G333 VanDerWaalsContact C-O 3.32Å; H330-G333 WeakPolarHBondContact CA-O 3.3Å; G333-D358 VanDerWaalsContact CA-OD2 3.24Å; G333-D358 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 334 | K | 94.6 | Very high | 96.2 | Very high | 121 Ų | 121 | 29.5 Ų | 29.5 | 53% | 0.526 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -156.2 | 13.6 | 177.9 | -54.3 | -173.8 | 177.2 | -169.3 | 0 | 115.5 | E287 D358 M360 | E287-K334 WeakPolarHBondContact OE1-CA 3.42Å; E287-K334 VanDerWaalsContact OE1-O 3.12Å; K334-D358 PolarHBondContact N-OD1 2.89Å; K334-D358 PolarHBondContact N-OD2 2.82Å; K334-M360 HydrophobicContact CB-CB 3.79Å; K334-M360 HydrophobicContact CB-CG 4.01Å |
| 335 | S | 96.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | trans | -171.9 | 103.8 | 168.8 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | E287 T337 D358 F359 | E287-S335 VanDerWaalsContact CD-CA 3.4Å; E287-S335 VanDerWaalsContact CD-N 3.34Å; E287-S335 WeakPolarHBondContact OE1-CA 3.29Å; E287-S335 PolarHBondContact OE1-N 2.87Å; E287-S335 VanDerWaalsContact OE2-CA 3.25Å; E287-S335 WeakPolarHBondContact OE2-CA 3.32Å; S335-T337 PolarHBondContact O-N 3.37Å; S335-D358 PolarHBondContact N-OD2 3.15Å; S335-D358 CarbonylContact O-C 3.58Å; S335-D358 VanDerWaalsContact O-CA 3.3Å; S335-D358 WeakPolarHBondContact O-CA 3.23Å; S335-F359 PolarHBondContact O-N 3.44Å | ||
| 336 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123.9 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | D280 V281 E287 E288 V289 Y328 G338 F356 | D280-V336 WeakPolarHBondContact O-CG1 3.49Å; V281-V336 HydrophobicContact CG2-CG1 4.45Å; V281-V336 WeakPolarHBondContact CG2-O 3.38Å; E287-V336 HydrophobicContact CB-CB 4.02Å; E287-V336 HydrophobicContact CB-CG1 4.09Å; E287-V336 PolarHBondContact OE2-N 2.8Å; E288-V336 WeakPolarHBondContact O-CG1 3.34Å; V289-V336 HydrophobicContact CG2-CG2 4.23Å; Y328-V336 HydrophobicContact CE1-CB 4.18Å; Y328-V336 HydrophobicContact CE1-CG2 4.31Å; Y328-V336 WeakPolarHBondContact OH-CA 3.47Å; Y328-V336 WeakPolarHBondContact OH-CB 3.32Å; V336-G338 VanDerWaalsContact C-N 3.28Å; V336-G338 PolarHBondContact O-N 3.06Å; V336-F356 HydrophobicContact CG2-CD2 4.03Å; V336-F356 HydrophobicContact CG2-CE2 4.47Å |
| 337 | T | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -25.7 | 178.8 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | R259 S335 G357 F359 I402 I403 F405 | R259-T337 WeakPolarHBondContact CB-O 3.37Å; R259-T337 VanDerWaalsContact CG-O 3.28Å; R259-T337 WeakPolarHBondContact CG-O 3.44Å; R259-T337 PolarHBondContact N-O 2.68Å; S335-T337 PolarHBondContact O-N 3.37Å; T337-G357 WeakPolarHBondContact CB-O 3.48Å; T337-G357 PolarHBondContact N-O 2.66Å; T337-G357 PolarHBondContact OG1-O 3.1Å; T337-F359 PolarHBondContact OG1-N 3.27Å; T337-I402 HydrophobicContact CG2-CG2 4.25Å; T337-I402 WeakPolarHBondContact CG2-O 3.49Å; T337-I402 PolarHBondContact OG1-O 3.11Å; T337-I403 VanDerWaalsContact CG2-C 3.49Å; T337-I403 WeakPolarHBondContact CG2-O 3.47Å; T337-F405 HydrophobicContact CG2-CD2 3.93Å; T337-F405 HydrophobicContact CG2-CE2 4.12Å |
| 338 | G | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.7 | -173.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V336 F356 F405 | V336-G338 VanDerWaalsContact C-N 3.28Å; V336-G338 PolarHBondContact O-N 3.06Å; G338-F356 WeakPolarHBondContact O-CA 3.48Å; G338-F356 WeakPolarHBondContact O-CB 3.13Å; G338-F405 WeakPolarHBondContact O-CD2 3.24Å; G338-F405 VanDerWaalsContact O-CE2 3.31Å; G338-F405 WeakPolarHBondContact O-CE2 3.49Å |
| 339 | G | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | -169.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S261 Y354 I355 | S261-G339 WeakPolarHBondContact CB-O 3.25Å; S261-G339 PolarHBondContact OG-O 2.97Å; G339-Y354 PolarHBondContact N-OH 2.99Å; G339-Y354 VanDerWaalsContact N-OH 3.07Å; G339-Y354 WeakPolarHBondContact O-CE2 3.49Å; G339-I355 CarbonylContact C-O 3.59Å; G339-I355 WeakPolarHBondContact CA-O 3.31Å |
| 340 | Y | 98.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 32 Ų | 32 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.1 | -175.6 | -76.3 | -112.1 | 0 | 0 | 0 | 111.2 | S261 Y342 I355 F405 E407 L413 | S261-Y340 VanDerWaalsContact CB-CD1 3.4Å; S261-Y340 WeakPolarHBondContact OG-CA 3.5Å; Y340-Y342 PolarHBondContact O-N 3.34Å; Y340-I355 PolarHBondContact N-O 2.79Å; Y340-I355 PolarHBondContact O-N 3.37Å; Y340-F405 HydrophobicContact CD2-CB 3.66Å; Y340-F405 HydrophobicContact CE2-CB 3.82Å; Y340-F405 WeakPolarHBondContact CE2-O 3.31Å; Y340-E407 HydrophobicContact CD1-CB 4.18Å; Y340-E407 HydrophobicContact CD1-CG 4.01Å; Y340-E407 HydrophobicContact CE1-CB 4.28Å; Y340-E407 HydrophobicContact CE1-CG 3.78Å; Y340-L413 HydrophobicContact CD2-CD1 4.35Å; Y340-L413 HydrophobicContact CG-CD1 4.12Å |
| 341 | V | 98.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116.9 | 163.9 | -174 | 0 | 0 | 0 | 0 | 108 | D263 F277 R343 L353 Y354 | D263-V341 HydrophobicContact CB-CB 4.36Å; D263-V341 HydrophobicContact CB-CG2 4.03Å; F277-V341 HydrophobicContact CD2-CG2 3.86Å; F277-V341 HydrophobicContact CE2-CG2 3.59Å; F277-V341 HydrophobicContact CG-CG2 4.48Å; F277-V341 HydrophobicContact CZ-CG2 3.99Å; V341-R343 HydrophobicContact CG1-CG 4.45Å; V341-R343 PolarHBondContact O-N 3.21Å; V341-L353 CarbonylContact C-O 3.58Å; V341-L353 WeakPolarHBondContact CA-O 3.34Å; V341-Y354 HydrophobicContact CG2-CD2 3.98Å |
| 342 | Y | 97.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | trans | -65.5 | 123.6 | 178.8 | 179.1 | -82.9 | 0 | 0 | 0 | 109.9 | Y340 G344 E346 S347 L350 N351 G352 L353 E412 L413 | Y340-Y342 PolarHBondContact O-N 3.34Å; Y342-G344 WeakPolarHBondContact CE1-O 3.4Å; Y342-G344 VanDerWaalsContact CZ-CA 3.45Å; Y342-G344 VanDerWaalsContact OH-C 3.29Å; Y342-G344 WeakPolarHBondContact OH-CA 3.45Å; Y342-E346 PolarHBondContact OH-N 3.23Å; Y342-S347 WeakPolarHBondContact CE1-O 3.4Å; Y342-S347 PolarHBondContact OH-N 2.9Å; Y342-L350 HydrophobicContact CD1-CB 3.62Å; Y342-L350 HydrophobicContact CD2-CB 4.27Å; Y342-L350 HydrophobicContact CD2-CD1 4.34Å; Y342-L350 HydrophobicContact CE1-CB 4.13Å; Y342-L350 HydrophobicContact CG-CB 3.72Å; Y342-N351 WeakPolarHBondContact O-CA 3.34Å; Y342-G352 PolarHBondContact O-N 3.43Å; Y342-L353 PolarHBondContact N-O 3.39Å; Y342-E412 PolarHBondContact OH-OE2 2.9Å; Y342-L413 HydrophobicContact CD2-CB 3.67Å; Y342-L413 HydrophobicContact CE2-CB 4.21Å | ||
| 343 | R | 95.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | trans | -130.1 | 13.4 | 180 | -64.4 | -59.9 | -173.7 | -163.7 | 2 | 113.2 | D263 R264 G265 Y271 V341 N351 | D263-R343 VanDerWaalsContact CG-NH2 3.34Å; D263-R343 IonicContact OD1-CZ 2.93Å; D263-R343 VanDerWaalsContact OD1-CZ 3.3Å; D263-R343 IonicContact OD1-NE 3.3Å; D263-R343 PolarHBondContact OD1-NE 2.88Å; D263-R343 IonicContact OD1-NH2 2.63Å; D263-R343 PolarHBondContact OD1-NH2 2.84Å; D263-R343 IonicContact OD2-CZ 2.95Å; D263-R343 IonicContact OD2-NH2 3.71Å; D263-R343 PolarHBondContact OD2-NH2 2.92Å; R264-R343 HydrophobicContact CB-CB 4.33Å; R264-R343 HydrophobicContact CB-CG 4.17Å; G265-R343 WeakPolarHBondContact O-CD 3.38Å; G265-R343 PolarHBondContact O-NE 2.82Å; Y271-R343 PolarHBondContact O-NH2 2.95Å; V341-R343 HydrophobicContact CG1-CG 4.45Å; V341-R343 PolarHBondContact O-N 3.21Å; R343-N351 WeakPolarHBondContact CD-OD1 3.28Å; R343-N351 PolarHBondContact NH1-OD1 2.75Å | ||
| 344 | G | 92.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 9% | 0.093 | 13% | 0.131 | C | C | . | . | trans | -70.2 | 174 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y342 G411 | Y342-G344 WeakPolarHBondContact CE1-O 3.4Å; Y342-G344 VanDerWaalsContact CZ-CA 3.45Å; Y342-G344 VanDerWaalsContact OH-C 3.29Å; Y342-G344 WeakPolarHBondContact OH-CA 3.45Å; G344-G411 VanDerWaalsContact CA-C 3.46Å; G344-G411 WeakPolarHBondContact CA-O 3.44Å; G344-G411 PolarHBondContact N-O 2.81Å | ||
| 345 | C | 87.1 | Confident | 94.3 | Very high | 51 Ų | 51 | 17.5 Ų | 17.5 | 35% | 0.345 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -105.5 | -29 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | E412 C445 | C345-E412 PolarHBondContact N-OE1 2.84Å; C345-C445 HydrophobicContact CB-CB 3.74Å; C345-C445 WeakPolarHBondContact CB-SG 3.37Å; C345-C445 PolarHBondContact O-SG 2.87Å; C345-C445 WeakPolarHBondContact SG-CA 3.4Å; C345-C445 WeakPolarHBondContact SG-CB 3.43Å; C345-C445 CovalentContact SG-SG 2.04Å; C345-C445 PolarHBondContact SG-SG 2.92Å |
| 346 | E | 89.4 | Confident | 94.4 | Very high | 27 Ų | 27 | 16.6 Ų | 16.6 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -68.7 | -37.3 | -172.8 | -76 | -165.6 | -122.7 | 0 | 0 | 114.1 | Y342 P348 E412 K432 R438 P441 P442 | Y342-E346 PolarHBondContact OH-N 3.23Å; E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 VanDerWaalsContact O-CD 3.28Å; E346-P348 WeakPolarHBondContact O-CD 3.2Å; E346-E412 WeakPolarHBondContact CB-OE1 3.24Å; E346-E412 WeakPolarHBondContact CB-OE2 3.41Å; E346-E412 HydrophobicContact CG-CG 4.43Å; E346-E412 PolarHBondContact N-OE1 2.64Å; E346-K432 IonicContact OE1-NZ 2.86Å; E346-K432 PolarHBondContact OE1-NZ 2.97Å; E346-R438 WeakPolarHBondContact O-CD 3.47Å; E346-R438 IonicContact OE2-CZ 3.25Å; E346-R438 VanDerWaalsContact OE2-CZ 3.25Å; E346-R438 IonicContact OE2-NH1 2.78Å; E346-R438 PolarHBondContact OE2-NH1 3.24Å; E346-R438 IonicContact OE2-NH2 2.8Å; E346-R438 PolarHBondContact OE2-NH2 2.74Å; E346-P441 HydrophobicContact CG-CB 4.24Å; E346-P442 WeakPolarHBondContact O-CD 3.35Å |
| 347 | S | 89.6 | Confident | 94.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -118.7 | 66.1 | -175.6 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | Y342 N349 L350 D435 | Y342-S347 WeakPolarHBondContact CE1-O 3.4Å; Y342-S347 PolarHBondContact OH-N 2.9Å; S347-N349 PolarHBondContact O-N 3.02Å; S347-L350 WeakPolarHBondContact O-CB 3.5Å; S347-L350 PolarHBondContact O-N 3.19Å; S347-D435 PolarHBondContact OG-N 2.85Å |
| 348 | P | 84.4 | Confident | 94.4 | Very high | 67 Ų | 67 | 16.6 Ų | 16.6 | 44% | 0.435 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -60.7 | -24.2 | -165.9 | 24.9 | -35.7 | 0 | 0 | 0 | 114 | E346 L350 N351 | E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 VanDerWaalsContact O-CD 3.28Å; E346-P348 WeakPolarHBondContact O-CD 3.2Å; P348-L350 PolarHBondContact O-N 3.35Å; P348-N351 VanDerWaalsContact O-CB 3.27Å; P348-N351 WeakPolarHBondContact O-CB 3.3Å; P348-N351 PolarHBondContact O-N 2.8Å; P348-N351 VanDerWaalsContact O-N 3.08Å |
| 349 | N | 86.3 | Confident | 94.4 | Very high | 49 Ų | 49 | 18.4 Ų | 18.4 | 26% | 0.262 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -73.7 | -8.3 | -178.5 | -45.1 | -24.9 | 0 | 0 | 0 | 112.5 | G31 V33 S347 D435 S437 | G31-N349 PolarHBondContact O-ND2 3.03Å; G31-N349 PolarHBondContact O-OD1 3.34Å; V33-N349 HydrophobicContact CG2-CB 3.49Å; V33-N349 VanDerWaalsContact CG2-CB 3.49Å; S347-N349 PolarHBondContact O-N 3.02Å; N349-D435 WeakPolarHBondContact CB-OD2 3.3Å; N349-D435 PolarHBondContact ND2-OD2 3.1Å; N349-S437 PolarHBondContact ND2-OG 3.24Å |
| 350 | L | 92.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -92.4 | -8.2 | 171.2 | -54.6 | -179.7 | 0 | 0 | 0 | 112.7 | V33 L41 Y342 S347 P348 G352 L353 I355 | V33-L350 HydrophobicContact CG2-CD2 4.21Å; L41-L350 HydrophobicContact CD2-CD2 3.89Å; Y342-L350 HydrophobicContact CD1-CB 3.62Å; Y342-L350 HydrophobicContact CD2-CB 4.27Å; Y342-L350 HydrophobicContact CD2-CD1 4.34Å; Y342-L350 HydrophobicContact CE1-CB 4.13Å; Y342-L350 HydrophobicContact CG-CB 3.72Å; S347-L350 WeakPolarHBondContact O-CB 3.5Å; S347-L350 PolarHBondContact O-N 3.19Å; P348-L350 PolarHBondContact O-N 3.35Å; L350-G352 PolarHBondContact O-N 3.31Å; L350-L353 HydrophobicContact CD2-CD1 4.34Å; L350-L353 WeakPolarHBondContact O-CB 3.3Å; L350-L353 PolarHBondContact O-N 2.73Å; L350-L353 VanDerWaalsContact O-N 3.1Å; L350-I355 HydrophobicContact CB-CD1 4.31Å; L350-I355 HydrophobicContact CD1-CD1 4.2Å; L350-I355 HydrophobicContact CD2-CD1 4.41Å |
| 351 | N | 92.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 23.6 Ų | 23.6 | 32% | 0.321 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 120.5 | -172.8 | 175 | 39.7 | 0 | 0 | 0 | 112.8 | D266 Y342 R343 P348 | D266-N351 PolarHBondContact OD2-ND2 3.1Å; Y342-N351 WeakPolarHBondContact O-CA 3.34Å; R343-N351 WeakPolarHBondContact CD-OD1 3.28Å; R343-N351 PolarHBondContact NH1-OD1 2.75Å; P348-N351 VanDerWaalsContact O-CB 3.27Å; P348-N351 WeakPolarHBondContact O-CB 3.3Å; P348-N351 PolarHBondContact O-N 2.8Å; P348-N351 VanDerWaalsContact O-N 3.08Å |
| 352 | G | 94.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 24 Ų | 24 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -5.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y342 L350 | Y342-G352 PolarHBondContact O-N 3.43Å; L350-G352 PolarHBondContact O-N 3.31Å |
| 353 | L | 96.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | trans | -73.4 | 129.9 | 167 | -61.6 | -178.7 | 0 | 0 | 0 | 109.7 | L41 V341 Y342 L350 I355 A366 E368 | L41-L353 HydrophobicContact CD2-CD1 3.8Å; V341-L353 CarbonylContact C-O 3.58Å; V341-L353 WeakPolarHBondContact CA-O 3.34Å; Y342-L353 PolarHBondContact N-O 3.39Å; L350-L353 HydrophobicContact CD2-CD1 4.34Å; L350-L353 WeakPolarHBondContact O-CB 3.3Å; L350-L353 PolarHBondContact O-N 2.73Å; L350-L353 VanDerWaalsContact O-N 3.1Å; L353-I355 HydrophobicContact CB-CG1 4.09Å; L353-I355 PolarHBondContact O-N 2.99Å; L353-A366 HydrophobicContact CB-CB 4.21Å; L353-A366 HydrophobicContact CD1-CB 4.27Å; L353-E368 HydrophobicContact CD2-CB 3.82Å; L353-E368 HydrophobicContact CD2-CG 3.97Å | ||
| 354 | Y | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 101.5 | 166.6 | 177.5 | -103.5 | 0 | 0 | 0 | 108.8 | F277 V289 G339 V341 F356 A366 L367 | F277-Y354 HydrophobicContact CB-CD2 3.87Å; F277-Y354 HydrophobicContact CB-CE2 3.3Å; F277-Y354 AromaticContact CD1-CD2 3.74Å; F277-Y354 HydrophobicContact CD1-CD2 3.74Å; F277-Y354 AromaticContact CD1-CE2 3.97Å; F277-Y354 HydrophobicContact CD1-CE2 3.97Å; F277-Y354 HydrophobicContact CD1-CG 4.05Å; F277-Y354 HydrophobicContact CD2-CD2 4.48Å; F277-Y354 HydrophobicContact CE1-CD2 4.41Å; F277-Y354 HydrophobicContact CE1-CG 4.47Å; F277-Y354 AromaticContact CG-CD2 3.79Å; F277-Y354 HydrophobicContact CG-CD2 3.79Å; F277-Y354 AromaticContact CG-CE2 3.78Å; F277-Y354 HydrophobicContact CG-CE2 3.78Å; V289-Y354 HydrophobicContact CG1-CD1 4.16Å; V289-Y354 HydrophobicContact CG1-CE1 3.48Å; V289-Y354 VanDerWaalsContact CG1-CE1 3.48Å; V289-Y354 HydrophobicContact CG2-CE1 4.37Å; G339-Y354 PolarHBondContact N-OH 2.99Å; G339-Y354 VanDerWaalsContact N-OH 3.07Å; G339-Y354 WeakPolarHBondContact O-CE2 3.49Å; V341-Y354 HydrophobicContact CG2-CD2 3.98Å; Y354-F356 HydrophobicContact CD1-CB 4.3Å; Y354-F356 AromaticContact CD1-CD1 3.82Å; Y354-F356 HydrophobicContact CD1-CD1 3.82Å; Y354-F356 HydrophobicContact CD1-CG 4.27Å; Y354-F356 HydrophobicContact CE1-CB 3.73Å; Y354-F356 AromaticContact CE1-CD1 3.92Å; Y354-F356 HydrophobicContact CE1-CD1 3.92Å; Y354-F356 AromaticContact CE1-CG 3.89Å; Y354-F356 HydrophobicContact CE1-CG 3.89Å; Y354-A366 CarbonylContact O-C 3.57Å; Y354-A366 VanDerWaalsContact O-CA 3.23Å; Y354-A366 WeakPolarHBondContact O-CA 3.36Å; Y354-L367 HydrophobicContact CD1-CD1 4Å; Y354-L367 HydrophobicContact CD1-CG 4.17Å; Y354-L367 PolarHBondContact N-O 3.09Å; Y354-L367 PolarHBondContact O-N 2.81Å |
| 355 | I | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126 | -177.2 | -64 | 173.8 | 0 | 0 | 0 | 109.1 | G339 Y340 L350 L353 M365 A366 I381 F405 L413 F433 | G339-I355 CarbonylContact C-O 3.59Å; G339-I355 WeakPolarHBondContact CA-O 3.31Å; Y340-I355 PolarHBondContact N-O 2.79Å; Y340-I355 PolarHBondContact O-N 3.37Å; L350-I355 HydrophobicContact CB-CD1 4.31Å; L350-I355 HydrophobicContact CD1-CD1 4.2Å; L350-I355 HydrophobicContact CD2-CD1 4.41Å; L353-I355 HydrophobicContact CB-CG1 4.09Å; L353-I355 PolarHBondContact O-N 2.99Å; I355-M365 WeakPolarHBondContact CA-O 3.19Å; I355-A366 HydrophobicContact CG1-CB 4.2Å; I355-I381 HydrophobicContact CB-CD1 4.44Å; I355-I381 HydrophobicContact CG1-CD1 4.15Å; I355-I381 HydrophobicContact CG2-CD1 3.71Å; I355-F405 HydrophobicContact CG2-CE1 4.32Å; I355-L413 HydrophobicContact CB-CD2 3.58Å; I355-L413 HydrophobicContact CD1-CD2 3.88Å; I355-L413 HydrophobicContact CG1-CD2 4.28Å; I355-L413 HydrophobicContact CG2-CD2 3.61Å; I355-F433 HydrophobicContact CG2-CE1 4.08Å; I355-F433 HydrophobicContact CG2-CE2 4.25Å; I355-F433 HydrophobicContact CG2-CZ 3.75Å |
| 356 | F | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 176.9 | -174.1 | 70.8 | -71.6 | 0 | 0 | 0 | 110.9 | V289 F326 Y328 V336 G338 Y354 M365 L367 | V289-F356 HydrophobicContact CG2-CD2 4.17Å; V289-F356 HydrophobicContact CG2-CE2 4.02Å; F326-F356 HydrophobicContact CD1-CE2 4.39Å; F326-F356 AromaticContact CD1-CZ 3.86Å; F326-F356 HydrophobicContact CD1-CZ 3.86Å; F326-F356 HydrophobicContact CE1-CE2 4.36Å; F326-F356 AromaticContact CE1-CZ 3.79Å; F326-F356 HydrophobicContact CE1-CZ 3.79Å; Y328-F356 HydrophobicContact CE1-CE2 4.06Å; V336-F356 HydrophobicContact CG2-CD2 4.03Å; V336-F356 HydrophobicContact CG2-CE2 4.47Å; G338-F356 WeakPolarHBondContact O-CA 3.48Å; G338-F356 WeakPolarHBondContact O-CB 3.13Å; Y354-F356 HydrophobicContact CD1-CB 4.3Å; Y354-F356 AromaticContact CD1-CD1 3.82Å; Y354-F356 HydrophobicContact CD1-CD1 3.82Å; Y354-F356 HydrophobicContact CD1-CG 4.27Å; Y354-F356 HydrophobicContact CE1-CB 3.73Å; Y354-F356 AromaticContact CE1-CD1 3.92Å; Y354-F356 HydrophobicContact CE1-CD1 3.92Å; Y354-F356 AromaticContact CE1-CG 3.89Å; Y354-F356 HydrophobicContact CE1-CG 3.89Å; F356-M365 HydrophobicContact CD1-CB 3.93Å; F356-M365 VanDerWaalsContact CD1-O 3.29Å; F356-M365 WeakPolarHBondContact CD1-O 3.33Å; F356-M365 HydrophobicContact CD2-CB 4.49Å; F356-M365 HydrophobicContact CD2-CE 4.12Å; F356-M365 HydrophobicContact CE1-CB 3.34Å; F356-M365 HydrophobicContact CE2-CB 4.01Å; F356-M365 HydrophobicContact CE2-CE 3.52Å; F356-M365 HydrophobicContact CE2-SD 4.03Å; F356-M365 HydrophobicContact CG-CB 4.46Å; F356-M365 HydrophobicContact CZ-CB 3.41Å; F356-M365 VanDerWaalsContact CZ-CB 3.41Å; F356-M365 HydrophobicContact CZ-CE 3.99Å; F356-M365 HydrophobicContact CZ-CG 4.22Å; F356-M365 HydrophobicContact CZ-SD 3.88Å; F356-M365 PolarHBondContact N-O 2.88Å; F356-M365 PolarHBondContact O-N 2.85Å; F356-M365 VanDerWaalsContact O-O 3.09Å; F356-L367 HydrophobicContact CD1-CG 4.33Å; F356-L367 HydrophobicContact CE1-CD1 4.36Å; F356-L367 HydrophobicContact CE1-CD2 3.74Å; F356-L367 HydrophobicContact CE1-CG 3.61Å; F356-L367 HydrophobicContact CZ-CD2 4.01Å; F356-L367 HydrophobicContact CZ-CG 4.24Å |
| 357 | G | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T337 R363 | T337-G357 WeakPolarHBondContact CB-O 3.48Å; T337-G357 PolarHBondContact N-O 2.66Å; T337-G357 PolarHBondContact OG1-O 3.1Å; G357-R363 CarbonylContact C-O 3.54Å; G357-R363 WeakPolarHBondContact CA-O 3.31Å |
| 358 | D | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.3 | 178.8 | -179.4 | -91.9 | 0 | 0 | 0 | 111 | Y328 G333 K334 S335 M360 T361 G362 R363 M365 | Y328-D358 WeakPolarHBondContact OH-CB 3.48Å; Y328-D358 PolarHBondContact OH-OD2 3.02Å; G333-D358 VanDerWaalsContact CA-OD2 3.24Å; G333-D358 WeakPolarHBondContact CA-OD2 3.36Å; K334-D358 PolarHBondContact N-OD1 2.89Å; K334-D358 PolarHBondContact N-OD2 2.82Å; S335-D358 PolarHBondContact N-OD2 3.15Å; S335-D358 CarbonylContact O-C 3.58Å; S335-D358 VanDerWaalsContact O-CA 3.3Å; S335-D358 WeakPolarHBondContact O-CA 3.23Å; D358-M360 VanDerWaalsContact C-N 3.34Å; D358-M360 PolarHBondContact O-N 2.92Å; D358-M360 PolarHBondContact OD1-N 2.88Å; D358-T361 WeakPolarHBondContact CB-OG1 3.01Å; D358-T361 VanDerWaalsContact CG-OG1 3.32Å; D358-T361 WeakPolarHBondContact OD1-CB 3.38Å; D358-T361 PolarHBondContact OD1-N 3.3Å; D358-T361 PolarHBondContact OD1-OG1 2.85Å; D358-G362 WeakPolarHBondContact O-CA 3.42Å; D358-G362 PolarHBondContact O-N 2.8Å; D358-R363 HydrophobicContact CB-CB 4.37Å; D358-R363 PolarHBondContact N-O 3.19Å; D358-M365 HydrophobicContact CB-CE 4.42Å |
| 359 | F | 97.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -34.4 | -176.2 | 166.7 | -100.6 | 0 | 0 | 0 | 113.1 | S335 T337 F401 I402 P421 | S335-F359 PolarHBondContact O-N 3.44Å; T337-F359 PolarHBondContact OG1-N 3.27Å; F359-F401 HydrophobicContact CD2-CB 4.06Å; F359-F401 HydrophobicContact CE1-CD1 4.2Å; F359-F401 HydrophobicContact CE2-CB 3.79Å; F359-F401 HydrophobicContact CE2-CD1 4.15Å; F359-F401 HydrophobicContact CE2-CG 4.4Å; F359-F401 HydrophobicContact CZ-CB 4.41Å; F359-F401 AromaticContact CZ-CD1 3.96Å; F359-F401 HydrophobicContact CZ-CD1 3.96Å; F359-F401 WeakPolarHBondContact O-CA 3.04Å; F359-F401 WeakPolarHBondContact O-CD1 3.48Å; F359-I402 WeakPolarHBondContact CA-O 3.36Å; F359-I402 WeakPolarHBondContact CB-O 3.42Å; F359-I402 WeakPolarHBondContact CD2-O 3.44Å; F359-P421 HydrophobicContact CE2-CB 3.88Å; F359-P421 HydrophobicContact CE2-CG 4.4Å; F359-P421 HydrophobicContact CZ-CB 3.61Å; F359-P421 HydrophobicContact CZ-CG 3.84Å |
| 360 | M | 95.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 26.6 Ų | 26.6 | 37% | 0.365 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -22.3 | -172.6 | -77.9 | -62.7 | -74 | 0 | 0 | 114.4 | K334 D358 K400 F401 | K334-M360 HydrophobicContact CB-CB 3.79Å; K334-M360 HydrophobicContact CB-CG 4.01Å; D358-M360 VanDerWaalsContact C-N 3.34Å; D358-M360 PolarHBondContact O-N 2.92Å; D358-M360 PolarHBondContact OD1-N 2.88Å; M360-K400 WeakPolarHBondContact O-CE 3.36Å; M360-K400 PolarHBondContact O-NZ 2.99Å; M360-F401 HydrophobicContact SD-CE1 4.33Å |
| 361 | T | 94.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 32.4 Ų | 32.4 | 36% | 0.362 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -27.7 | 179.6 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | D358 R363 | D358-T361 WeakPolarHBondContact CB-OG1 3.01Å; D358-T361 VanDerWaalsContact CG-OG1 3.32Å; D358-T361 WeakPolarHBondContact OD1-CB 3.38Å; D358-T361 PolarHBondContact OD1-N 3.3Å; D358-T361 PolarHBondContact OD1-OG1 2.85Å; T361-R363 VanDerWaalsContact C-N 3.29Å; T361-R363 WeakPolarHBondContact OG1-CB 3.16Å; T361-R363 PolarHBondContact OG1-N 3.04Å |
| 362 | G | 95.5 | Very high | 96 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | trans | 77.3 | 13.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D358 H398 K400 | D358-G362 WeakPolarHBondContact O-CA 3.42Å; D358-G362 PolarHBondContact O-N 2.8Å; G362-H398 PolarHBondContact O-CE1 2.77Å; G362-K400 WeakPolarHBondContact CA-O 3.22Å; G362-K400 PolarHBondContact N-O 2.92Å | ||
| 363 | R | 94.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | trans | -66.8 | 132.5 | 174.9 | -174.9 | -176.6 | 171.8 | 94.7 | 0.2 | 109.5 | G357 D358 T361 M365 E378 S380 | G357-R363 CarbonylContact C-O 3.54Å; G357-R363 WeakPolarHBondContact CA-O 3.31Å; D358-R363 HydrophobicContact CB-CB 4.37Å; D358-R363 PolarHBondContact N-O 3.19Å; T361-R363 VanDerWaalsContact C-N 3.29Å; T361-R363 WeakPolarHBondContact OG1-CB 3.16Å; T361-R363 PolarHBondContact OG1-N 3.04Å; R363-M365 HydrophobicContact CG-CE 4.19Å; R363-M365 HydrophobicContact CG-CG 4.01Å; R363-M365 HydrophobicContact CG-SD 4.22Å; R363-M365 PolarHBondContact NE-SD 3.32Å; R363-E378 IonicContact CZ-OE1 3.54Å; R363-E378 IonicContact NH2-OE1 3.39Å; R363-E378 PolarHBondContact NH2-OE1 3.45Å; R363-E378 IonicContact NH2-OE2 3.41Å; R363-S380 PolarHBondContact NH2-OG 3.47Å | ||
| 364 | L | 96.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.2 | 170 | -73.8 | 171.6 | 0 | 0 | 0 | 109.9 | I381 M383 I402 F405 F415 F433 | L364-I381 HydrophobicContact CB-CB 3.89Å; L364-I381 HydrophobicContact CB-CD1 4.45Å; L364-I381 HydrophobicContact CB-CG2 4.12Å; L364-I381 PolarHBondContact O-N 3.02Å; L364-M383 HydrophobicContact CD1-CE 3.73Å; L364-I402 HydrophobicContact CD2-CD1 3.7Å; L364-I402 HydrophobicContact CG-CD1 3.96Å; L364-F405 HydrophobicContact CD2-CE1 4.16Å; L364-F405 HydrophobicContact CD2-CZ 3.67Å; L364-F415 HydrophobicContact CD1-CE1 4.22Å; L364-F415 HydrophobicContact CD1-CZ 4.32Å; L364-F433 HydrophobicContact CD1-CE1 4.06Å; L364-F433 HydrophobicContact CD1-CZ 4.13Å; L364-F433 HydrophobicContact CD2-CZ 3.99Å |
| 365 | M | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.9 | -173.9 | -70.3 | 169.5 | -75.2 | 0 | 0 | 110.4 | Y328 I355 F356 D358 R363 I381 | Y328-M365 HydrophobicContact CD1-CE 4.49Å; Y328-M365 HydrophobicContact CE1-CE 3.96Å; I355-M365 WeakPolarHBondContact CA-O 3.19Å; F356-M365 HydrophobicContact CD1-CB 3.93Å; F356-M365 VanDerWaalsContact CD1-O 3.29Å; F356-M365 WeakPolarHBondContact CD1-O 3.33Å; F356-M365 HydrophobicContact CD2-CB 4.49Å; F356-M365 HydrophobicContact CD2-CE 4.12Å; F356-M365 HydrophobicContact CE1-CB 3.34Å; F356-M365 HydrophobicContact CE2-CB 4.01Å; F356-M365 HydrophobicContact CE2-CE 3.52Å; F356-M365 HydrophobicContact CE2-SD 4.03Å; F356-M365 HydrophobicContact CG-CB 4.46Å; F356-M365 HydrophobicContact CZ-CB 3.41Å; F356-M365 VanDerWaalsContact CZ-CB 3.41Å; F356-M365 HydrophobicContact CZ-CE 3.99Å; F356-M365 HydrophobicContact CZ-CG 4.22Å; F356-M365 HydrophobicContact CZ-SD 3.88Å; F356-M365 PolarHBondContact N-O 2.88Å; F356-M365 PolarHBondContact O-N 2.85Å; F356-M365 VanDerWaalsContact O-O 3.09Å; D358-M365 HydrophobicContact CB-CE 4.42Å; R363-M365 HydrophobicContact CG-CE 4.19Å; R363-M365 HydrophobicContact CG-CG 4.01Å; R363-M365 HydrophobicContact CG-SD 4.22Å; R363-M365 PolarHBondContact NE-SD 3.32Å; M365-I381 VanDerWaalsContact C-CD1 3.49Å; M365-I381 WeakPolarHBondContact O-CD1 3.37Å |
| 366 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L353 Y354 I355 K379 I381 | L353-A366 HydrophobicContact CB-CB 4.21Å; L353-A366 HydrophobicContact CD1-CB 4.27Å; Y354-A366 CarbonylContact O-C 3.57Å; Y354-A366 VanDerWaalsContact O-CA 3.23Å; Y354-A366 WeakPolarHBondContact O-CA 3.36Å; I355-A366 HydrophobicContact CG1-CB 4.2Å; A366-K379 HydrophobicContact CB-CB 4Å; A366-K379 PolarHBondContact N-O 2.98Å; A366-K379 PolarHBondContact O-N 3.01Å; A366-I381 HydrophobicContact CB-CD1 4.03Å; A366-I381 HydrophobicContact CB-CG1 4.19Å |
| 367 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.3 | 162.7 | -50.5 | 178.9 | 0 | 0 | 0 | 109.8 | V289 I325 F326 Y354 F356 W376 I377 | V289-L367 HydrophobicContact CB-CD1 4.37Å; V289-L367 HydrophobicContact CG1-CD1 4.04Å; I325-L367 HydrophobicContact CD1-CD1 3.79Å; I325-L367 HydrophobicContact CG1-CD1 4.34Å; F326-L367 HydrophobicContact CB-CD1 3.61Å; F326-L367 HydrophobicContact CB-CD2 3.88Å; F326-L367 HydrophobicContact CB-CG 4.42Å; F326-L367 HydrophobicContact CD1-CD2 3.81Å; F326-L367 HydrophobicContact CD2-CD2 3.86Å; F326-L367 HydrophobicContact CE1-CD2 4.25Å; F326-L367 HydrophobicContact CE2-CD2 4.31Å; F326-L367 HydrophobicContact CG-CD1 4.21Å; F326-L367 HydrophobicContact CG-CD2 3.58Å; F326-L367 HydrophobicContact CZ-CD2 4.49Å; Y354-L367 HydrophobicContact CD1-CD1 4Å; Y354-L367 HydrophobicContact CD1-CG 4.17Å; Y354-L367 PolarHBondContact N-O 3.09Å; Y354-L367 PolarHBondContact O-N 2.81Å; F356-L367 HydrophobicContact CD1-CG 4.33Å; F356-L367 HydrophobicContact CE1-CD1 4.36Å; F356-L367 HydrophobicContact CE1-CD2 3.74Å; F356-L367 HydrophobicContact CE1-CG 3.61Å; F356-L367 HydrophobicContact CZ-CD2 4.01Å; F356-L367 HydrophobicContact CZ-CG 4.24Å; L367-W376 HydrophobicContact CB-CB 4.47Å; L367-W376 HydrophobicContact CB-CD2 4.46Å; L367-W376 HydrophobicContact CB-CE3 3.61Å; L367-W376 HydrophobicContact CB-CZ3 4.26Å; L367-I377 WeakPolarHBondContact CA-O 3.47Å |
| 368 | E | 96 | Very high | 94.9 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.2 | 173.8 | -170 | -179.3 | 171.5 | 0 | 0 | 110.1 | L353 W376 I377 K379 | L353-E368 HydrophobicContact CD2-CB 3.82Å; L353-E368 HydrophobicContact CD2-CG 3.97Å; E368-W376 WeakPolarHBondContact O-CA 3.44Å; E368-I377 PolarHBondContact N-O 3.38Å; E368-I377 PolarHBondContact O-N 2.73Å; E368-K379 HydrophobicContact CB-CG 4.46Å; E368-K379 WeakPolarHBondContact OE2-CE 3.24Å |
| 369 | E | 95.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.8 | -176.9 | -171.1 | 172.6 | -159.6 | 0 | 0 | 112 | Y271 R275 K371 W376 | Y271-E369 WeakPolarHBondContact CE1-OE2 3.36Å; Y271-E369 VanDerWaalsContact OH-CD 3.29Å; Y271-E369 PolarHBondContact OH-OE1 2.71Å; Y271-E369 PolarHBondContact OH-OE2 2.84Å; R275-E369 IonicContact CZ-OE2 2.77Å; R275-E369 IonicContact NH1-OE1 2.84Å; R275-E369 PolarHBondContact NH1-OE1 2.93Å; R275-E369 IonicContact NH1-OE2 3.18Å; R275-E369 PolarHBondContact NH1-OE2 2.89Å; R275-E369 IonicContact NH2-OE2 2.71Å; R275-E369 PolarHBondContact NH2-OE2 2.87Å; E369-K371 VanDerWaalsContact C-N 3.3Å; E369-K371 HydrophobicContact CG-CG 4.28Å; E369-K371 PolarHBondContact O-N 3.28Å; E369-W376 HydrophobicContact CB-CD2 4.16Å; E369-W376 HydrophobicContact CB-CE3 3.9Å; E369-W376 HydrophobicContact CB-CH2 3.69Å; E369-W376 HydrophobicContact CB-CZ2 3.91Å; E369-W376 HydrophobicContact CB-CZ3 3.69Å; E369-W376 HydrophobicContact CG-CD2 4.37Å; E369-W376 HydrophobicContact CG-CH2 4.1Å; E369-W376 HydrophobicContact CG-CZ2 3.8Å; E369-W376 HydrophobicContact CG-CZ3 4.48Å |
| 370 | N | 94.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.342 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 87.1 | 166.8 | -175.1 | -26.8 | 0 | 0 | 0 | 109.4 | A372 A373 R374 T375 I377 | N370-A372 PolarHBondContact O-N 3.07Å; N370-A372 VanDerWaalsContact O-N 3.1Å; N370-A372 PolarHBondContact OD1-N 3.03Å; N370-A373 HydrophobicContact CB-CB 4.29Å; N370-A373 PolarHBondContact O-N 2.87Å; N370-A373 VanDerWaalsContact O-N 3.15Å; N370-A373 PolarHBondContact OD1-N 2.82Å; N370-R374 WeakPolarHBondContact O-CA 3.4Å; N370-R374 PolarHBondContact O-N 2.66Å; N370-T375 PolarHBondContact N-O 2.9Å; N370-T375 PolarHBondContact O-N 3Å; N370-I377 HydrophobicContact CB-CD1 4.14Å |
| 371 | K | 90.5 | Very high | 94.1 | Very high | 123 Ų | 123 | 57.3 Ų | 57.3 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.4 | -176 | -52.5 | -174.7 | -173.2 | -176.2 | 0 | 114.2 | Y271 E369 | Y271-K371 HydrophobicContact CD1-CD 4.31Å; Y271-K371 VanDerWaalsContact CD1-NZ 3.34Å; Y271-K371 HydrophobicContact CE1-CD 3.72Å; Y271-K371 HydrophobicContact CE1-CG 4.22Å; Y271-K371 HydrophobicContact CE2-CD 4.32Å; E369-K371 VanDerWaalsContact C-N 3.3Å; E369-K371 HydrophobicContact CG-CG 4.28Å; E369-K371 PolarHBondContact O-N 3.28Å |
| 372 | A | 92.1 | Very high | 93.9 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 80% | 0.802 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -42.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N370 | N370-A372 PolarHBondContact O-N 3.07Å; N370-A372 VanDerWaalsContact O-N 3.1Å; N370-A372 PolarHBondContact OD1-N 3.03Å |
| 373 | A | 92.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N370 T375 | N370-A373 HydrophobicContact CB-CB 4.29Å; N370-A373 PolarHBondContact O-N 2.87Å; N370-A373 VanDerWaalsContact O-N 3.15Å; N370-A373 PolarHBondContact OD1-N 2.82Å; A373-T375 HydrophobicContact CB-CG2 4.14Å; A373-T375 WeakPolarHBondContact CB-OG1 3.38Å; A373-T375 PolarHBondContact O-N 3.18Å |
| 374 | R | 89.4 | Confident | 93.5 | Very high | 220 Ų | 220 | 54.6 Ų | 54.6 | 83% | 0.83 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.6 | -166.9 | -55.9 | -178.5 | 178.9 | -179.1 | -0.5 | 113 | N370 | N370-R374 WeakPolarHBondContact O-CA 3.4Å; N370-R374 PolarHBondContact O-N 2.66Å |
| 375 | T | 94.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 159.8 | 176.8 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | N370 A373 | N370-T375 PolarHBondContact N-O 2.9Å; N370-T375 PolarHBondContact O-N 3Å; A373-T375 HydrophobicContact CB-CG2 4.14Å; A373-T375 WeakPolarHBondContact CB-OG1 3.38Å; A373-T375 PolarHBondContact O-N 3.18Å |
| 376 | W | 96.1 | Very high | 92.5 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.7 | 174.8 | -67 | 82.6 | 0 | 0 | 0 | 110 | F277 I291 I325 L367 E368 E369 | F277-W376 AromaticContact CE1-CH2 3.51Å; F277-W376 HydrophobicContact CE1-CH2 3.51Å; F277-W376 AromaticContact CE1-CZ2 3.67Å; F277-W376 HydrophobicContact CE1-CZ2 3.67Å; F277-W376 HydrophobicContact CE1-CZ3 4.2Å; F277-W376 AromaticContact CZ-CH2 3.5Å; F277-W376 HydrophobicContact CZ-CH2 3.5Å; F277-W376 VanDerWaalsContact CZ-CH2 3.5Å; F277-W376 AromaticContact CZ-CZ2 3.73Å; F277-W376 HydrophobicContact CZ-CZ2 3.73Å; F277-W376 HydrophobicContact CZ-CZ3 4.49Å; I291-W376 HydrophobicContact CD1-CZ2 3.77Å; I325-W376 HydrophobicContact CB-CG 4.12Å; I325-W376 HydrophobicContact CD1-CD2 3.83Å; I325-W376 HydrophobicContact CD1-CE3 4.4Å; I325-W376 HydrophobicContact CD1-CG 3.97Å; I325-W376 HydrophobicContact CD1-CZ2 4.35Å; L367-W376 HydrophobicContact CB-CB 4.47Å; L367-W376 HydrophobicContact CB-CD2 4.46Å; L367-W376 HydrophobicContact CB-CE3 3.61Å; L367-W376 HydrophobicContact CB-CZ3 4.26Å; E368-W376 WeakPolarHBondContact O-CA 3.44Å; E369-W376 HydrophobicContact CB-CD2 4.16Å; E369-W376 HydrophobicContact CB-CE3 3.9Å; E369-W376 HydrophobicContact CB-CH2 3.69Å; E369-W376 HydrophobicContact CB-CZ2 3.91Å; E369-W376 HydrophobicContact CB-CZ3 3.69Å; E369-W376 HydrophobicContact CG-CD2 4.37Å; E369-W376 HydrophobicContact CG-CH2 4.1Å; E369-W376 HydrophobicContact CG-CZ2 3.8Å; E369-W376 HydrophobicContact CG-CZ3 4.48Å |
| 377 | I | 94.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.3 | -175.7 | -58.1 | 178 | 0 | 0 | 0 | 108.2 | L367 E368 N370 | L367-I377 WeakPolarHBondContact CA-O 3.47Å; E368-I377 PolarHBondContact N-O 3.38Å; E368-I377 PolarHBondContact O-N 2.73Å; N370-I377 HydrophobicContact CB-CD1 4.14Å |
| 378 | E | 94.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 66.5 Ų | 66.5 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.4 | 173.4 | -161.9 | -143.2 | 142 | 0 | 0 | 110.6 | F326 R363 S380 | F326-E378 HydrophobicContact CE2-CB 3.92Å; F326-E378 HydrophobicContact CE2-CG 4.26Å; F326-E378 HydrophobicContact CZ-CB 4.09Å; F326-E378 HydrophobicContact CZ-CG 3.91Å; R363-E378 IonicContact CZ-OE1 3.54Å; R363-E378 IonicContact NH2-OE1 3.39Å; R363-E378 PolarHBondContact NH2-OE1 3.45Å; R363-E378 IonicContact NH2-OE2 3.41Å; E378-S380 PolarHBondContact OE1-OG 3.24Å |
| 379 | K | 91.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.6 | 161.9 | -71.7 | -71.8 | -163.8 | 166.1 | 0 | 107.3 | E35 A366 E368 | E35-K379 IonicContact OE1-NZ 2.68Å; E35-K379 PolarHBondContact OE1-NZ 3.22Å; A366-K379 HydrophobicContact CB-CB 4Å; A366-K379 PolarHBondContact N-O 2.98Å; A366-K379 PolarHBondContact O-N 3.01Å; E368-K379 HydrophobicContact CB-CG 4.46Å; E368-K379 WeakPolarHBondContact OE2-CE 3.24Å |
| 380 | S | 87.8 | Confident | 90.2 | Very high | 39 Ų | 39 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138.4 | 174 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | C40 L41 R363 E378 | C40-S380 PolarHBondContact SG-O 2.97Å; C40-S380 VanDerWaalsContact SG-O 3.36Å; L41-S380 PolarHBondContact N-O 3.07Å; R363-S380 PolarHBondContact NH2-OG 3.47Å; E378-S380 PolarHBondContact OE1-OG 3.24Å |
| 381 | I | 93.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.5 | 176.6 | -57.3 | 179.2 | 0 | 0 | 0 | 109.2 | C40 L41 V43 I355 L364 M365 A366 | C40-I381 VanDerWaalsContact SG-C 3.51Å; L41-I381 HydrophobicContact CB-CG1 4.49Å; L41-I381 HydrophobicContact CD2-CG1 4.2Å; V43-I381 HydrophobicContact CB-CG2 4.47Å; V43-I381 HydrophobicContact CG1-CG2 4.11Å; V43-I381 HydrophobicContact CG2-CG2 3.56Å; I355-I381 HydrophobicContact CB-CD1 4.44Å; I355-I381 HydrophobicContact CG1-CD1 4.15Å; I355-I381 HydrophobicContact CG2-CD1 3.71Å; L364-I381 HydrophobicContact CB-CB 3.89Å; L364-I381 HydrophobicContact CB-CD1 4.45Å; L364-I381 HydrophobicContact CB-CG2 4.12Å; L364-I381 PolarHBondContact O-N 3.02Å; M365-I381 VanDerWaalsContact C-CD1 3.49Å; M365-I381 WeakPolarHBondContact O-CD1 3.37Å; A366-I381 HydrophobicContact CB-CD1 4.03Å; A366-I381 HydrophobicContact CB-CG1 4.19Å |
| 382 | C | 91.8 | Very high | 89.1 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.6 | 177.8 | -73.3 | 0 | 0 | 0 | 0 | 110.8 | C40 L41 Q42 V43 | C40-C382 HydrophobicContact CB-CB 3.9Å; C40-C382 WeakPolarHBondContact CB-SG 3.49Å; C40-C382 WeakPolarHBondContact SG-CB 3.4Å; C40-C382 PolarHBondContact SG-N 2.75Å; C40-C382 CovalentContact SG-SG 2.03Å; C40-C382 PolarHBondContact SG-SG 3.12Å; L41-C382 PolarHBondContact O-N 3.47Å; Q42-C382 WeakPolarHBondContact CA-O 3.39Å; V43-C382 PolarHBondContact N-O 2.89Å |
| 383 | M | 92.6 | Very high | 88.8 | Confident | 46 Ų | 46 | 61 Ų | 61 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 139 | 164.1 | -65.3 | -61.2 | 99.9 | 0 | 0 | 109.7 | V43 L45 L364 N396 | V43-M383 HydrophobicContact CG2-CE 3.55Å; V43-M383 CarbonylContact O-C 3.53Å; V43-M383 WeakPolarHBondContact O-CA 3.38Å; L45-M383 HydrophobicContact CD1-CE 4.28Å; L45-M383 HydrophobicContact CD1-SD 3.7Å; L45-M383 HydrophobicContact CG-CE 4.44Å; L45-M383 HydrophobicContact CG-SD 3.95Å; L364-M383 HydrophobicContact CD1-CE 3.73Å; M383-N396 HydrophobicContact CB-CB 4.35Å; M383-N396 WeakPolarHBondContact CB-O 3.22Å; M383-N396 VanDerWaalsContact CG-O 3.29Å; M383-N396 WeakPolarHBondContact CG-O 3.26Å |
| 384 | G | 88.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 162.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V43 N396 | V43-G384 PolarHBondContact O-N 3.28Å; G384-N396 VanDerWaalsContact O-CB 3.27Å; G384-N396 WeakPolarHBondContact O-CB 3.47Å; G384-N396 PolarHBondContact O-ND2 2.91Å |
| 385 | S | 87.8 | Confident | 88.8 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 166.4 | 170.5 | 76.2 | 0 | 0 | 0 | 0 | 111.6 | T387 T388 C389 | S385-T387 PolarHBondContact O-N 3.27Å; S385-T387 VanDerWaalsContact O-N 3.14Å; S385-T387 PolarHBondContact OG-N 2.66Å; S385-T388 PolarHBondContact N-OG1 3.26Å; S385-T388 VanDerWaalsContact N-OG1 3.09Å; S385-T388 WeakPolarHBondContact O-CB 3.46Å; S385-T388 PolarHBondContact O-N 2.85Å; S385-T388 PolarHBondContact OG-N 2.58Å; S385-T388 PolarHBondContact OG-OG1 2.03Å; S385-C389 PolarHBondContact O-N 2.96Å |
| 386 | T | 83.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.5 | 172.3 | 59 | 0 | 0 | 0 | 0 | 112.7 | S390 V468 | T386-S390 PolarHBondContact O-N 3.02Å; T386-V468 HydrophobicContact CG2-CG1 3.79Å |
| 387 | T | 83.1 | Confident | 88.6 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 66% | 0.656 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -42.6 | 173.7 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | S385 C389 S390 | S385-T387 PolarHBondContact O-N 3.27Å; S385-T387 VanDerWaalsContact O-N 3.14Å; S385-T387 PolarHBondContact OG-N 2.66Å; T387-C389 VanDerWaalsContact C-N 3.33Å; T387-C389 PolarHBondContact O-N 2.63Å; T387-S390 VanDerWaalsContact O-CB 3.3Å; T387-S390 WeakPolarHBondContact O-CB 3.2Å; T387-S390 PolarHBondContact O-N 2.83Å; T387-S390 PolarHBondContact O-OG 3.06Å |
| 388 | T | 84.9 | Confident | 88.6 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -42.9 | 176.8 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | Q42 S385 P436 | Q42-T388 PolarHBondContact OE1-OG1 3.33Å; S385-T388 PolarHBondContact N-OG1 3.26Å; S385-T388 VanDerWaalsContact N-OG1 3.09Å; S385-T388 WeakPolarHBondContact O-CB 3.46Å; S385-T388 PolarHBondContact O-N 2.85Å; S385-T388 PolarHBondContact OG-N 2.58Å; S385-T388 PolarHBondContact OG-OG1 2.03Å; T388-P436 HydrophobicContact CG2-CB 3.48Å; T388-P436 VanDerWaalsContact CG2-CB 3.48Å; T388-P436 HydrophobicContact CG2-CG 3.51Å |
| 389 | C | 87 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 30.6 | -178.1 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | C44 S385 T387 F391 L394 N396 | C44-C389 HydrophobicContact CB-CB 3.83Å; C44-C389 WeakPolarHBondContact CB-SG 3.36Å; C44-C389 WeakPolarHBondContact SG-CA 3.05Å; C44-C389 WeakPolarHBondContact SG-CB 3.04Å; C44-C389 CovalentContact SG-SG 2.03Å; C44-C389 PolarHBondContact SG-SG 2.81Å; S385-C389 PolarHBondContact O-N 2.96Å; T387-C389 VanDerWaalsContact C-N 3.33Å; T387-C389 PolarHBondContact O-N 2.63Å; C389-F391 VanDerWaalsContact C-N 3.32Å; C389-F391 PolarHBondContact O-N 3.42Å; C389-L394 HydrophobicContact CB-CB 4.17Å; C389-N396 HydrophobicContact CB-CB 3.91Å; C389-N396 VanDerWaalsContact SG-CB 3.57Å |
| 390 | S | 83.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | trans | -76.3 | -13 | -177 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | T386 T387 T467 L469 | T386-S390 PolarHBondContact O-N 3.02Å; T387-S390 VanDerWaalsContact O-CB 3.3Å; T387-S390 WeakPolarHBondContact O-CB 3.2Å; T387-S390 PolarHBondContact O-N 2.83Å; T387-S390 PolarHBondContact O-OG 3.06Å; S390-T467 WeakPolarHBondContact O-CG2 3.35Å; S390-L469 WeakPolarHBondContact O-CD2 3.41Å | ||
| 391 | F | 81.2 | Confident | 89.3 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 52% | 0.522 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -69.8 | 138.8 | -177.1 | -173.2 | -88.1 | 0 | 0 | 0 | 112.3 | C389 G393 L394 T467 | C389-F391 VanDerWaalsContact C-N 3.32Å; C389-F391 PolarHBondContact O-N 3.42Å; F391-G393 PolarHBondContact O-N 2.82Å; F391-L394 HydrophobicContact CB-CD1 3.83Å; F391-L394 HydrophobicContact CB-CG 4.14Å; F391-L394 WeakPolarHBondContact O-CB 3.46Å; F391-L394 PolarHBondContact O-N 2.73Å; F391-T467 WeakPolarHBondContact O-CG2 3.38Å |
| 392 | P | 81.7 | Confident | 89.5 | Confident | 87 Ų | 87 | 48.7 Ų | 48.7 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | 120.3 | -179.9 | -32.7 | 37.9 | 0 | 0 | 0 | 115.4 | T467 | P392-T467 WeakPolarHBondContact CA-OG1 3.48Š|
| 393 | G | 84.5 | Confident | 89.8 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 2.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T46 F391 T467 | T46-G393 WeakPolarHBondContact CB-O 3.38Å; T46-G393 PolarHBondContact OG1-O 3.2Å; F391-G393 PolarHBondContact O-N 2.82Å; G393-T467 PolarHBondContact N-OG1 3.14Å |
| 394 | L | 90.2 | Very high | 90 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | trans | -89.4 | 145.3 | 164.7 | -60.3 | -172.6 | 0 | 0 | 0 | 111.4 | C44 L45 C389 F391 M434 | C44-L394 HydrophobicContact CB-CB 4.26Å; C44-L394 HydrophobicContact CB-CD1 3.92Å; C44-L394 HydrophobicContact CB-CD2 4.23Å; C44-L394 HydrophobicContact CB-CG 4.37Å; L45-L394 CarbonylContact O-C 3.34Å; L45-L394 WeakPolarHBondContact O-CA 3.32Å; C389-L394 HydrophobicContact CB-CB 4.17Å; F391-L394 HydrophobicContact CB-CD1 3.83Å; F391-L394 HydrophobicContact CB-CG 4.14Å; F391-L394 WeakPolarHBondContact O-CB 3.46Å; F391-L394 PolarHBondContact O-N 2.73Å; L394-M434 HydrophobicContact CD2-CB 3.75Å; L394-M434 HydrophobicContact CD2-CE 3.92Å; L394-M434 HydrophobicContact CD2-CG 3.75Å | ||
| 395 | I | 92.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -131 | 164.9 | 169 | 66.5 | 176.1 | 0 | 0 | 0 | 109.6 | L45 E47 H397 F431 E465 | L45-I395 HydrophobicContact CB-CG1 3.95Å; L45-I395 PolarHBondContact N-O 2.89Å; L45-I395 PolarHBondContact O-N 3.4Å; E47-I395 HydrophobicContact CG-CD1 4.23Å; I395-H397 WeakPolarHBondContact CD1-O 3.2Å; I395-F431 HydrophobicContact CD1-CD1 4.06Å; I395-F431 HydrophobicContact CD1-CE1 3.8Å; I395-E465 HydrophobicContact CG2-CB 3.94Å |
| 396 | N | 92.3 | Very high | 91 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -128.4 | 29.4 | -177.9 | 76 | -39.7 | 0 | 0 | 0 | 113.7 | M383 G384 C389 | M383-N396 HydrophobicContact CB-CB 4.35Å; M383-N396 WeakPolarHBondContact CB-O 3.22Å; M383-N396 VanDerWaalsContact CG-O 3.29Å; M383-N396 WeakPolarHBondContact CG-O 3.26Å; G384-N396 VanDerWaalsContact O-CB 3.27Å; G384-N396 WeakPolarHBondContact O-CB 3.47Å; G384-N396 PolarHBondContact O-ND2 2.91Å; C389-N396 HydrophobicContact CB-CB 3.91Å; C389-N396 VanDerWaalsContact SG-CB 3.57Å |
| 397 | H | 92.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | trans | -147 | 162.7 | 173.8 | 64.2 | -68.8 | 0 | 0 | 0 | 110.3 | I395 E465 | I395-H397 WeakPolarHBondContact CD1-O 3.2Å; H397-E465 IonicContact CD2-OE1 3.67Å; H397-E465 VanDerWaalsContact CE1-CD 3.46Å; H397-E465 IonicContact CE1-OE1 2.93Å; H397-E465 IonicContact CE1-OE2 3.52Å; H397-E465 IonicContact NE2-OE1 3.89Å; H397-E465 PolarHBondContact NE2-OE1 2.75Å; H397-E465 IonicContact NE2-OE2 2.6Å | ||
| 398 | H | 95.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 20% | 0.199 | 19% | 0.193 | C | C | . | . | trans | -149.9 | 171 | 175.2 | 57.6 | 86.5 | 0 | 0 | 0 | 109.7 | L45 G362 F415 F431 | L45-H398 HydrophobicContact CD1-CB 3.81Å; G362-H398 PolarHBondContact O-CE1 2.77Å; H398-F415 HydrophobicContact CB-CE2 3.96Å; H398-F415 HydrophobicContact CB-CZ 3.66Å; H398-F415 AromaticContact CD2-CZ 3.87Å; H398-F415 AromaticContact CG-CE2 3.88Å; H398-F415 AromaticContact CG-CZ 3.58Å; H398-F415 AromaticContact ND1-CE2 3.91Å; H398-F431 HydrophobicContact CB-CD1 4.5Å; H398-F431 HydrophobicContact CB-CD2 4.18Å; H398-F431 HydrophobicContact CB-CE1 4.23Å; H398-F431 HydrophobicContact CB-CE2 3.9Å; H398-F431 HydrophobicContact CB-CG 4.47Å; H398-F431 HydrophobicContact CB-CZ 3.92Å | ||
| 399 | H | 95.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 35.3 Ų | 35.3 | 25% | 0.25 | 19% | 0.186 | C | C | . | . | trans | -69.4 | 150.3 | 174.3 | -53 | -57.4 | 0 | 0 | 0 | 111.7 | F401 A417 T418 T427 T429 F431 | H399-F401 PolarHBondContact O-N 2.9Å; H399-A417 HydrophobicContact CB-CB 4.14Å; H399-A417 PolarHBondContact CD2-O 3.13Å; H399-T418 VanDerWaalsContact CB-O 3.28Å; H399-T418 WeakPolarHBondContact CB-O 3.36Å; H399-T427 PolarHBondContact NE2-O 3.04Å; H399-T429 WeakPolarHBondContact NE2-CB 3.31Å; H399-T429 PolarHBondContact NE2-OG1 2.86Å; H399-F431 AromaticContact CD2-CE2 3.95Å; H399-F431 AromaticContact CD2-CZ 3.88Å | ||
| 400 | K | 95.3 | Very high | 93.1 | Very high | 112 Ų | 112 | 36.6 Ų | 36.6 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -61.2 | -44.3 | -174.5 | -178.7 | 179.9 | 173.2 | -171.8 | 0 | 113.8 | M360 G362 I402 | M360-K400 WeakPolarHBondContact O-CE 3.36Å; M360-K400 PolarHBondContact O-NZ 2.99Å; G362-K400 WeakPolarHBondContact CA-O 3.22Å; G362-K400 PolarHBondContact N-O 2.92Å; K400-I402 PolarHBondContact O-N 2.94Å |
| 401 | F | 97.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 16% | 0.158 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 100.2 | -169.2 | -61.1 | -87 | 0 | 0 | 0 | 110.8 | F359 M360 H399 I403 A417 T418 P421 | F359-F401 HydrophobicContact CD2-CB 4.06Å; F359-F401 HydrophobicContact CE1-CD1 4.2Å; F359-F401 HydrophobicContact CE2-CB 3.79Å; F359-F401 HydrophobicContact CE2-CD1 4.15Å; F359-F401 HydrophobicContact CE2-CG 4.4Å; F359-F401 HydrophobicContact CZ-CB 4.41Å; F359-F401 AromaticContact CZ-CD1 3.96Å; F359-F401 HydrophobicContact CZ-CD1 3.96Å; F359-F401 WeakPolarHBondContact O-CA 3.04Å; F359-F401 WeakPolarHBondContact O-CD1 3.48Å; M360-F401 HydrophobicContact SD-CE1 4.33Å; H399-F401 PolarHBondContact O-N 2.9Å; F401-I403 PolarHBondContact O-N 3.42Å; F401-A417 CarbonylContact O-C 3.54Å; F401-A417 WeakPolarHBondContact O-CA 3.49Å; F401-A417 VanDerWaalsContact O-CB 3.29Å; F401-A417 WeakPolarHBondContact O-CB 3.34Å; F401-T418 HydrophobicContact CB-CG2 3.88Å; F401-T418 WeakPolarHBondContact CB-O 3.27Å; F401-T418 WeakPolarHBondContact CD2-O 3.4Å; F401-T418 PolarHBondContact N-O 3.31Å; F401-T418 VanDerWaalsContact N-O 3.1Å; F401-T418 PolarHBondContact O-N 3.49Å; F401-P421 HydrophobicContact CB-CG 4.43Å; F401-P421 HydrophobicContact CD1-CG 3.87Å; F401-P421 HydrophobicContact CD2-CG 4.15Å; F401-P421 HydrophobicContact CE1-CG 4.06Å; F401-P421 HydrophobicContact CE2-CG 4.32Å; F401-P421 HydrophobicContact CG-CG 3.91Å; F401-P421 HydrophobicContact CZ-CG 4.27Å |
| 402 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 96.9 | 178.9 | -59.3 | 173.4 | 0 | 0 | 0 | 108.9 | T337 F359 L364 K400 F405 F415 L416 A417 | T337-I402 HydrophobicContact CG2-CG2 4.25Å; T337-I402 WeakPolarHBondContact CG2-O 3.49Å; T337-I402 PolarHBondContact OG1-O 3.11Å; F359-I402 WeakPolarHBondContact CA-O 3.36Å; F359-I402 WeakPolarHBondContact CB-O 3.42Å; F359-I402 WeakPolarHBondContact CD2-O 3.44Å; L364-I402 HydrophobicContact CD2-CD1 3.7Å; L364-I402 HydrophobicContact CG-CD1 3.96Å; K400-I402 PolarHBondContact O-N 2.94Å; I402-F405 HydrophobicContact CG2-CD2 4.32Å; I402-F405 HydrophobicContact CG2-CE2 3.58Å; I402-F405 HydrophobicContact CG2-CZ 4.05Å; I402-F415 HydrophobicContact CG1-CD2 4.2Å; I402-F415 HydrophobicContact CG1-CE2 4.18Å; I402-F415 HydrophobicContact CG2-CB 4.44Å; I402-F415 HydrophobicContact CG2-CD2 3.99Å; I402-L416 CarbonylContact C-O 3.6Å; I402-A417 HydrophobicContact CG1-CB 4.44Å |
| 403 | I | 96.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -40 | -175.4 | -49.3 | 161.4 | 0 | 0 | 0 | 110.9 | N54 P55 V56 W258 T337 F401 L416 T418 | N54-I403 VanDerWaalsContact OD1-CD1 3.22Å; N54-I403 WeakPolarHBondContact OD1-CD1 3.23Å; P55-I403 HydrophobicContact CG-CD1 4.08Å; P55-I403 WeakPolarHBondContact O-CD1 3.22Å; P55-I403 WeakPolarHBondContact O-CG2 3.47Å; V56-I403 HydrophobicContact CG1-CG2 4.25Å; W258-I403 HydrophobicContact CZ2-CG2 4.4Å; W258-I403 PolarHBondContact NE1-O 2.88Å; T337-I403 VanDerWaalsContact CG2-C 3.49Å; T337-I403 WeakPolarHBondContact CG2-O 3.47Å; F401-I403 PolarHBondContact O-N 3.42Å; I403-L416 PolarHBondContact N-O 3.11Å; I403-T418 HydrophobicContact CD1-CG2 3.72Å; I403-T418 HydrophobicContact CG1-CG2 3.87Å |
| 404 | S | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 167.3 | -167.9 | -162.5 | 0 | 0 | 0 | 0 | 113 | V56 R259 F415 L416 | V56-S404 WeakPolarHBondContact O-CB 3.32Å; V56-S404 PolarHBondContact O-OG 3.05Å; R259-S404 VanDerWaalsContact CD-OG 3.22Å; R259-S404 WeakPolarHBondContact CD-OG 3.46Å; R259-S404 PolarHBondContact NE-OG 3.02Å; S404-F415 CarbonylContact O-C 3.48Å; S404-F415 WeakPolarHBondContact O-CA 3.5Å; S404-F415 WeakPolarHBondContact O-CB 3.44Å; S404-L416 PolarHBondContact N-O 3Å; S404-L416 PolarHBondContact O-N 3.43Å |
| 405 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 156.9 | 172.2 | -76.4 | -100.9 | 0 | 0 | 0 | 110.1 | T337 G338 Y340 I355 L364 I402 L413 Y414 F415 F433 | T337-F405 HydrophobicContact CG2-CD2 3.93Å; T337-F405 HydrophobicContact CG2-CE2 4.12Å; G338-F405 WeakPolarHBondContact O-CD2 3.24Å; G338-F405 VanDerWaalsContact O-CE2 3.31Å; G338-F405 WeakPolarHBondContact O-CE2 3.49Å; Y340-F405 HydrophobicContact CD2-CB 3.66Å; Y340-F405 HydrophobicContact CE2-CB 3.82Å; Y340-F405 WeakPolarHBondContact CE2-O 3.31Å; I355-F405 HydrophobicContact CG2-CE1 4.32Å; L364-F405 HydrophobicContact CD2-CE1 4.16Å; L364-F405 HydrophobicContact CD2-CZ 3.67Å; I402-F405 HydrophobicContact CG2-CD2 4.32Å; I402-F405 HydrophobicContact CG2-CE2 3.58Å; I402-F405 HydrophobicContact CG2-CZ 4.05Å; F405-L413 HydrophobicContact CD1-CD1 4.39Å; F405-Y414 WeakPolarHBondContact CA-O 3.44Å; F405-F415 HydrophobicContact CD1-CB 3.79Å; F405-F415 HydrophobicContact CE1-CB 3.8Å; F405-F415 HydrophobicContact CG-CB 4.17Å; F405-F415 HydrophobicContact CZ-CB 4.16Å; F405-F433 HydrophobicContact CD1-CE2 4.3Å; F405-F433 AromaticContact CE1-CE2 3.88Å; F405-F433 HydrophobicContact CE1-CE2 3.88Å; F405-F433 AromaticContact CE1-CZ 3.98Å; F405-F433 HydrophobicContact CE1-CZ 3.98Å |
| 406 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 157.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | M58 Y414 L416 | M58-A406 HydrophobicContact CB-CB 3.57Å; M58-A406 HydrophobicContact CE-CB 4.42Å; M58-A406 HydrophobicContact CG-CB 3.97Å; M58-A406 WeakPolarHBondContact O-CB 3.37Å; A406-Y414 PolarHBondContact N-O 3.11Å; A406-Y414 PolarHBondContact O-N 3Å; A406-L416 HydrophobicContact CB-CD1 4.13Å |
| 407 | E | 96.9 | Very high | 96.7 | Very high | 26 Ų | 26 | 20.5 Ų | 20.5 | 12% | 0.121 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.4 | 166.1 | 63.9 | 177.6 | -153.4 | 0 | 0 | 111.8 | H60 R264 Y340 E412 | H60-E407 IonicContact NE2-OE1 3.3Å; R264-E407 WeakPolarHBondContact CD-OE1 3.49Å; R264-E407 WeakPolarHBondContact CD-OE2 3.19Å; R264-E407 IonicContact CZ-OE1 2.78Å; R264-E407 IonicContact NE-OE1 3.96Å; R264-E407 IonicContact NH1-OE1 3.52Å; R264-E407 PolarHBondContact NH1-OE1 3.16Å; R264-E407 IonicContact NH1-OE2 3.88Å; Y340-E407 HydrophobicContact CD1-CB 4.18Å; Y340-E407 HydrophobicContact CD1-CG 4.01Å; Y340-E407 HydrophobicContact CE1-CB 4.28Å; Y340-E407 HydrophobicContact CE1-CG 3.78Å; E407-E412 CarbonylContact C-O 3.59Å; E407-E412 VanDerWaalsContact CA-O 3.23Å; E407-E412 WeakPolarHBondContact CA-O 3.2Å |
| 408 | D | 96.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 17 Ų | 17 | 9% | 0.086 | 8% | 0.082 | C | C | . | . | trans | -84.4 | 176.2 | 165.3 | 83.1 | -1.7 | 0 | 0 | 0 | 112.2 | H60 A410 G411 E412 Y414 | H60-D408 PolarHBondContact CD2-O 3.05Å; H60-D408 VanDerWaalsContact CD2-O 3.31Å; D408-A410 PolarHBondContact O-N 2.57Å; D408-A410 WeakPolarHBondContact OD1-CA 3.33Å; D408-A410 WeakPolarHBondContact OD1-CB 3.08Å; D408-A410 PolarHBondContact OD1-N 3.46Å; D408-G411 PolarHBondContact O-N 2.93Å; D408-G411 PolarHBondContact OD1-N 3.18Å; D408-G411 VanDerWaalsContact OD1-N 3.14Å; D408-E412 PolarHBondContact N-O 3.13Å; D408-E412 WeakPolarHBondContact OD1-CB 3.47Å; D408-E412 PolarHBondContact OD1-N 2.7Å; D408-Y414 HydrophobicContact CB-CE2 3.7Å | ||
| 409 | E | 95.4 | Very high | 97 | Very high | 22 Ų | 22 | 17.9 Ų | 17.9 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.8 | -178.1 | -168.5 | 157.8 | -124.9 | 0 | 0 | 113.6 | H60 G62 D63 D64 T65 H66 R264 | H60-E409 HydrophobicContact CB-CB 3.97Å; H60-E409 PolarHBondContact CD2-N 2.88Å; G62-E409 VanDerWaalsContact C-OE1 3.26Å; G62-E409 WeakPolarHBondContact CA-OE1 3.06Å; G62-E409 PolarHBondContact N-OE1 3.48Å; D63-E409 PolarHBondContact N-OE1 3Å; D64-E409 VanDerWaalsContact C-OE2 3.3Å; D64-E409 WeakPolarHBondContact CA-OE2 3.04Å; D64-E409 PolarHBondContact N-OE1 3.48Å; T65-E409 PolarHBondContact N-OE2 3.36Å; H66-E409 VanDerWaalsContact CA-OE2 3.29Å; H66-E409 WeakPolarHBondContact CA-OE2 3.46Å; H66-E409 IonicContact CD2-OE2 3.41Å; H66-E409 PolarHBondContact CD2-OE2 3.42Å; H66-E409 IonicContact CG-OE2 2.65Å; H66-E409 PolarHBondContact N-OE2 2.75Å; H66-E409 IonicContact NE2-OE2 3.97Å; R264-E409 PolarHBondContact NH2-O 3.16Å |
| 410 | A | 93.1 | Very high | 97 | Very high | 27 Ų | 27 | 21 Ų | 21 | 22% | 0.223 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 0.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D408 E412 Q447 | D408-A410 PolarHBondContact O-N 2.57Å; D408-A410 WeakPolarHBondContact OD1-CA 3.33Å; D408-A410 WeakPolarHBondContact OD1-CB 3.08Å; D408-A410 PolarHBondContact OD1-N 3.46Å; A410-E412 HydrophobicContact CB-CG 4.5Å; A410-Q447 HydrophobicContact CB-CG 4.29Å |
| 411 | G | 94.4 | Very high | 97 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | trans | 84 | 11.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G344 D408 | G344-G411 VanDerWaalsContact CA-C 3.46Å; G344-G411 WeakPolarHBondContact CA-O 3.44Å; G344-G411 PolarHBondContact N-O 2.81Å; D408-G411 PolarHBondContact O-N 2.93Å; D408-G411 PolarHBondContact OD1-N 3.18Å; D408-G411 VanDerWaalsContact OD1-N 3.14Å | ||
| 412 | E | 96.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -70.3 | 138.5 | 173.2 | -57.1 | -55.7 | 154.4 | 0 | 0 | 110.3 | Y342 C345 E346 E407 D408 A410 Y414 | Y342-E412 PolarHBondContact OH-OE2 2.9Å; C345-E412 PolarHBondContact N-OE1 2.84Å; E346-E412 WeakPolarHBondContact CB-OE1 3.24Å; E346-E412 WeakPolarHBondContact CB-OE2 3.41Å; E346-E412 HydrophobicContact CG-CG 4.43Å; E346-E412 PolarHBondContact N-OE1 2.64Å; E407-E412 CarbonylContact C-O 3.59Å; E407-E412 VanDerWaalsContact CA-O 3.23Å; E407-E412 WeakPolarHBondContact CA-O 3.2Å; D408-E412 PolarHBondContact N-O 3.13Å; D408-E412 WeakPolarHBondContact OD1-CB 3.47Å; D408-E412 PolarHBondContact OD1-N 2.7Å; A410-E412 HydrophobicContact CB-CG 4.5Å; E412-Y414 HydrophobicContact CB-CE2 3.99Å; E412-Y414 WeakPolarHBondContact O-CD2 3.46Å; E412-Y414 WeakPolarHBondContact O-CE2 3.27Å | ||
| 413 | L | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.8 | -170.2 | -175.3 | 67.2 | 0 | 0 | 0 | 113.2 | Y340 Y342 I355 F405 F433 | Y340-L413 HydrophobicContact CD2-CD1 4.35Å; Y340-L413 HydrophobicContact CG-CD1 4.12Å; Y342-L413 HydrophobicContact CD2-CB 3.67Å; Y342-L413 HydrophobicContact CE2-CB 4.21Å; I355-L413 HydrophobicContact CB-CD2 3.58Å; I355-L413 HydrophobicContact CD1-CD2 3.88Å; I355-L413 HydrophobicContact CG1-CD2 4.28Å; I355-L413 HydrophobicContact CG2-CD2 3.61Å; F405-L413 HydrophobicContact CD1-CD1 4.39Å; L413-F433 HydrophobicContact CB-CD2 4.03Å; L413-F433 HydrophobicContact CD2-CD2 3.66Å; L413-F433 HydrophobicContact CD2-CE2 3.72Å; L413-F433 HydrophobicContact CD2-CG 4.27Å; L413-F433 HydrophobicContact CD2-CZ 4.43Å; L413-F433 HydrophobicContact CG-CD2 3.56Å; L413-F433 HydrophobicContact CG-CE2 3.84Å; L413-F433 HydrophobicContact CG-CG 4.45Å; L413-F433 PolarHBondContact O-N 3Å |
| 414 | Y | 98.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.1 | -179.6 | -60.3 | -110.3 | 0 | 0 | 0 | 110.1 | V48 M58 M68 F405 A406 D408 E412 V430 F431 K432 | V48-Y414 HydrophobicContact CB-CE1 4.34Å; V48-Y414 HydrophobicContact CG1-CE1 4.23Å; V48-Y414 HydrophobicContact CG2-CD1 4.5Å; V48-Y414 HydrophobicContact CG2-CE1 3.99Å; M58-Y414 HydrophobicContact CE-CD1 3.73Å; M58-Y414 HydrophobicContact CE-CD2 3.56Å; M58-Y414 HydrophobicContact CE-CE1 3.94Å; M58-Y414 HydrophobicContact CE-CE2 3.87Å; M58-Y414 HydrophobicContact CE-CG 3.54Å; M58-Y414 HydrophobicContact SD-CD1 4.2Å; M58-Y414 HydrophobicContact SD-CG 4.28Å; M68-Y414 HydrophobicContact SD-CE1 4.19Å; F405-Y414 WeakPolarHBondContact CA-O 3.44Å; A406-Y414 PolarHBondContact N-O 3.11Å; A406-Y414 PolarHBondContact O-N 3Å; D408-Y414 HydrophobicContact CB-CE2 3.7Å; E412-Y414 HydrophobicContact CB-CE2 3.99Å; E412-Y414 WeakPolarHBondContact O-CD2 3.46Å; E412-Y414 WeakPolarHBondContact O-CE2 3.27Å; Y414-V430 HydrophobicContact CD1-CG1 4.2Å; Y414-F431 CarbonylContact C-O 3.44Å; Y414-F431 WeakPolarHBondContact CA-O 3.38Å; Y414-K432 HydrophobicContact CD1-CB 3.83Å; Y414-K432 HydrophobicContact CD1-CG 4.32Å; Y414-K432 HydrophobicContact CE1-CB 3.71Å; Y414-K432 HydrophobicContact CE1-CD 4.03Å; Y414-K432 HydrophobicContact CE1-CG 3.98Å; Y414-K432 HydrophobicContact CE2-CD 4.45Å; Y414-K432 HydrophobicContact CE2-CG 4.4Å |
| 415 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.1 | 163.3 | 74.7 | -85.4 | 0 | 0 | 0 | 111.7 | L45 L364 H398 I402 S404 F405 A417 V430 F431 F433 | L45-F415 HydrophobicContact CD1-CE1 3.74Å; L45-F415 HydrophobicContact CD1-CZ 3.66Å; L45-F415 HydrophobicContact CD2-CE1 3.66Å; L45-F415 HydrophobicContact CD2-CZ 4.43Å; L45-F415 HydrophobicContact CG-CE1 4.37Å; L364-F415 HydrophobicContact CD1-CE1 4.22Å; L364-F415 HydrophobicContact CD1-CZ 4.32Å; H398-F415 HydrophobicContact CB-CE2 3.96Å; H398-F415 HydrophobicContact CB-CZ 3.66Å; H398-F415 AromaticContact CD2-CZ 3.87Å; H398-F415 AromaticContact CG-CE2 3.88Å; H398-F415 AromaticContact CG-CZ 3.58Å; H398-F415 AromaticContact ND1-CE2 3.91Å; I402-F415 HydrophobicContact CG1-CD2 4.2Å; I402-F415 HydrophobicContact CG1-CE2 4.18Å; I402-F415 HydrophobicContact CG2-CB 4.44Å; I402-F415 HydrophobicContact CG2-CD2 3.99Å; S404-F415 CarbonylContact O-C 3.48Å; S404-F415 WeakPolarHBondContact O-CA 3.5Å; S404-F415 WeakPolarHBondContact O-CB 3.44Å; F405-F415 HydrophobicContact CD1-CB 3.79Å; F405-F415 HydrophobicContact CE1-CB 3.8Å; F405-F415 HydrophobicContact CG-CB 4.17Å; F405-F415 HydrophobicContact CZ-CB 4.16Å; F415-A417 HydrophobicContact CD2-CB 4.02Å; F415-A417 HydrophobicContact CE2-CB 3.89Å; F415-V430 WeakPolarHBondContact O-CA 3.44Å; F415-F431 HydrophobicContact CD1-CB 4.08Å; F415-F431 HydrophobicContact CD2-CD2 4.27Å; F415-F431 HydrophobicContact CE1-CB 3.74Å; F415-F431 HydrophobicContact CE1-CD2 4.5Å; F415-F431 HydrophobicContact CE1-CG 4.38Å; F415-F431 HydrophobicContact CE2-CB 4.47Å; F415-F431 AromaticContact CE2-CD2 3.75Å; F415-F431 HydrophobicContact CE2-CD2 3.75Å; F415-F431 HydrophobicContact CE2-CE2 4.42Å; F415-F431 HydrophobicContact CE2-CG 4.39Å; F415-F431 HydrophobicContact CZ-CB 3.96Å; F415-F431 AromaticContact CZ-CD2 3.9Å; F415-F431 HydrophobicContact CZ-CD2 3.9Å; F415-F431 HydrophobicContact CZ-CG 4.09Å; F415-F431 PolarHBondContact N-O 2.77Å; F415-F431 PolarHBondContact O-N 2.73Å; F415-F433 HydrophobicContact CB-CE2 4.29Å; F415-F433 HydrophobicContact CD1-CD2 4.13Å; F415-F433 AromaticContact CD1-CE2 3.45Å; F415-F433 HydrophobicContact CD1-CE2 3.45Å; F415-F433 VanDerWaalsContact CD1-CE2 3.45Å; F415-F433 AromaticContact CD1-CZ 3.69Å; F415-F433 HydrophobicContact CD1-CZ 3.69Å; F415-F433 HydrophobicContact CE1-CE2 4.2Å; F415-F433 HydrophobicContact CE1-CZ 4.08Å; F415-F433 HydrophobicContact CG-CE2 4.31Å |
| 416 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.4 | -174.8 | -62.2 | 69.3 | 0 | 0 | 0 | 106.6 | P55 M58 I402 I403 S404 A406 V430 | P55-L416 HydrophobicContact CB-CD2 4.13Å; P55-L416 HydrophobicContact CG-CB 4.47Å; P55-L416 WeakPolarHBondContact O-CD2 3.43Å; M58-L416 HydrophobicContact CB-CD1 4.09Å; M58-L416 HydrophobicContact CB-CD2 4.14Å; I402-L416 CarbonylContact C-O 3.6Å; I403-L416 PolarHBondContact N-O 3.11Å; S404-L416 PolarHBondContact N-O 3Å; S404-L416 PolarHBondContact O-N 3.43Å; A406-L416 HydrophobicContact CB-CD1 4.13Å; L416-V430 HydrophobicContact CD1-CG1 4.37Å; L416-V430 HydrophobicContact CG-CG1 4.24Å; L416-V430 HydrophobicContact CG-CG2 3.94Å |
| 417 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H399 F401 I402 F415 G428 T429 F431 | H399-A417 HydrophobicContact CB-CB 4.14Å; H399-A417 PolarHBondContact CD2-O 3.13Å; F401-A417 CarbonylContact O-C 3.54Å; F401-A417 WeakPolarHBondContact O-CA 3.49Å; F401-A417 VanDerWaalsContact O-CB 3.29Å; F401-A417 WeakPolarHBondContact O-CB 3.34Å; I402-A417 HydrophobicContact CG1-CB 4.44Å; F415-A417 HydrophobicContact CD2-CB 4.02Å; F415-A417 HydrophobicContact CE2-CB 3.89Å; A417-G428 CarbonylContact O-C 3.55Å; A417-G428 WeakPolarHBondContact O-CA 3.4Å; A417-T429 PolarHBondContact N-O 3.4Å; A417-T429 PolarHBondContact O-N 2.81Å; A417-T429 VanDerWaalsContact O-O 3.13Å; A417-F431 HydrophobicContact CB-CD2 4.47Å; A417-F431 HydrophobicContact CB-CE2 4.13Å |
| 418 | T | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.3 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | H399 F401 I403 Y420 P421 T427 | H399-T418 VanDerWaalsContact CB-O 3.28Å; H399-T418 WeakPolarHBondContact CB-O 3.36Å; F401-T418 HydrophobicContact CB-CG2 3.88Å; F401-T418 WeakPolarHBondContact CB-O 3.27Å; F401-T418 WeakPolarHBondContact CD2-O 3.4Å; F401-T418 PolarHBondContact N-O 3.31Å; F401-T418 VanDerWaalsContact N-O 3.1Å; F401-T418 PolarHBondContact O-N 3.49Å; I403-T418 HydrophobicContact CD1-CG2 3.72Å; I403-T418 HydrophobicContact CG1-CG2 3.87Å; T418-Y420 VanDerWaalsContact C-N 3.34Å; T418-Y420 PolarHBondContact OG1-N 3.04Å; T418-Y420 PolarHBondContact OG1-O 3.19Å; T418-Y420 VanDerWaalsContact OG1-O 3.07Å; T418-P421 HydrophobicContact CG2-CB 3.98Å; T418-T427 PolarHBondContact OG1-OG1 2.62Å; T418-T427 VanDerWaalsContact OG1-OG1 3.05Å |
| 419 | S | 95.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 22.1 Ų | 22.1 | 43% | 0.434 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -81.8 | -16.5 | 168 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | T427 | S419-T427 WeakPolarHBondContact OG-CB 3.45Š|
| 420 | Y | 96.1 | Very high | 96.3 | Very high | 119 Ų | 119 | 21 Ų | 21 | 47% | 0.467 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -146.5 | 105.3 | 179.5 | -167.5 | -91.2 | 0 | 0 | 0 | 112.1 | L104 T418 S422 | L104-Y420 HydrophobicContact CD1-CD1 4.14Å; L104-Y420 HydrophobicContact CD1-CD2 4.14Å; L104-Y420 HydrophobicContact CD1-CE1 3.84Å; L104-Y420 HydrophobicContact CD1-CE2 3.83Å; L104-Y420 HydrophobicContact CD1-CG 4.3Å; T418-Y420 VanDerWaalsContact C-N 3.34Å; T418-Y420 PolarHBondContact OG1-N 3.04Å; T418-Y420 PolarHBondContact OG1-O 3.19Å; T418-Y420 VanDerWaalsContact OG1-O 3.07Å; Y420-S422 PolarHBondContact O-N 3.49Å |
| 421 | P | 95.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | trans | -79.6 | 82.6 | -176 | 31.3 | -36.6 | 0 | 0 | 0 | 112.8 | L104 G105 F359 F401 T418 | L104-P421 WeakPolarHBondContact CA-O 3.44Å; L104-P421 HydrophobicContact CD1-CG 3.88Å; L104-P421 HydrophobicContact CG-CG 4.33Å; G105-P421 PolarHBondContact N-O 3.1Å; F359-P421 HydrophobicContact CE2-CB 3.88Å; F359-P421 HydrophobicContact CE2-CG 4.4Å; F359-P421 HydrophobicContact CZ-CB 3.61Å; F359-P421 HydrophobicContact CZ-CG 3.84Å; F401-P421 HydrophobicContact CB-CG 4.43Å; F401-P421 HydrophobicContact CD1-CG 3.87Å; F401-P421 HydrophobicContact CD2-CG 4.15Å; F401-P421 HydrophobicContact CE1-CG 4.06Å; F401-P421 HydrophobicContact CE2-CG 4.32Å; F401-P421 HydrophobicContact CG-CG 3.91Å; F401-P421 HydrophobicContact CZ-CG 4.27Å; T418-P421 HydrophobicContact CG2-CB 3.98Å | ||
| 422 | S | 95.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -144.7 | 136.8 | 170.9 | 166.9 | 0 | 0 | 0 | 0 | 108.8 | P102 Y420 M424 S425 | P102-S422 PolarHBondContact O-OG 3.22Å; Y420-S422 PolarHBondContact O-N 3.49Å; S422-M424 PolarHBondContact O-N 2.92Å; S422-S425 PolarHBondContact O-N 2.83Å |
| 423 | A | 94.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q73 L74 T100 | Q73-A423 HydrophobicContact CB-CB 4.17Å; Q73-A423 HydrophobicContact CG-CB 4.08Å; L74-A423 WeakPolarHBondContact CD1-O 3.13Å; L74-A423 HydrophobicContact CG-CB 4.48Å; L74-A423 WeakPolarHBondContact CG-O 3.37Å; T100-A423 HydrophobicContact CG2-CB 4.07Å; T100-A423 WeakPolarHBondContact OG1-CB 3.33Å |
| 424 | M | 93.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 22.4 Ų | 22.4 | 35% | 0.35 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15 | 179.2 | -56.8 | -56.6 | 119.5 | 0 | 0 | 114.4 | L74 T100 P102 S422 P426 | L74-M424 HydrophobicContact CD1-CE 4.11Å; L74-M424 HydrophobicContact CD1-SD 4.26Å; L74-M424 HydrophobicContact CD2-CE 3.66Å; L74-M424 HydrophobicContact CD2-SD 4.49Å; L74-M424 HydrophobicContact CG-CE 3.9Å; T100-M424 HydrophobicContact CG2-CE 4.29Å; P102-M424 HydrophobicContact CB-CG 3.79Å; S422-M424 PolarHBondContact O-N 2.92Å; M424-P426 WeakPolarHBondContact O-CD 3.49Å |
| 425 | S | 93.9 | Very high | 96 | Very high | 20 Ų | 20 | 22 Ų | 22 | 14% | 0.14 | 12% | 0.119 | C | C | . | . | trans | -89.8 | 114.8 | -166.6 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | R53 S422 T427 | R53-S425 WeakPolarHBondContact CA-O 3.44Å; S422-S425 PolarHBondContact O-N 2.83Å; S425-T427 PolarHBondContact O-N 3.37Å; S425-T427 PolarHBondContact OG-OG1 3.43Å | ||
| 426 | P | 95.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 23.3 Ų | 23.3 | 46% | 0.455 | 13% | 0.128 | S | C | . | . | trans | -81.1 | 49.5 | -179 | 37 | -37.4 | 0 | 0 | 0 | 111.8 | S51 L52 R53 M424 | S51-P426 WeakPolarHBondContact CA-O 3.28Å; L52-P426 CarbonylContact O-C 3.52Å; L52-P426 WeakPolarHBondContact O-CA 3.03Å; R53-P426 HydrophobicContact CG-CB 4.18Å; M424-P426 WeakPolarHBondContact O-CD 3.49Å | ||
| 427 | T | 95.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | trans | -115.4 | 8.5 | -175.6 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | L52 H399 T418 S419 S425 | L52-T427 PolarHBondContact O-N 2.94Å; H399-T427 PolarHBondContact NE2-O 3.04Å; T418-T427 PolarHBondContact OG1-OG1 2.62Å; T418-T427 VanDerWaalsContact OG1-OG1 3.05Å; S419-T427 WeakPolarHBondContact OG-CB 3.45Å; S425-T427 PolarHBondContact O-N 3.37Å; S425-T427 PolarHBondContact OG-OG1 3.43Å | ||
| 428 | G | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N50 S51 L52 A417 | N50-G428 CarbonylContact C-O 3.5Å; N50-G428 WeakPolarHBondContact CA-O 3.2Å; S51-G428 PolarHBondContact N-O 3.15Å; L52-G428 PolarHBondContact N-O 3.35Å; L52-G428 WeakPolarHBondContact O-CA 3.37Å; L52-G428 PolarHBondContact O-N 3.07Å; A417-G428 CarbonylContact O-C 3.55Å; A417-G428 WeakPolarHBondContact O-CA 3.4Å |
| 429 | T | 98.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.6 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | E47 A49 N50 H399 A417 F431 | E47-T429 HydrophobicContact CB-CG2 4.25Å; E47-T429 HydrophobicContact CG-CG2 3.83Å; A49-T429 CarbonylContact O-C 3.54Å; A49-T429 VanDerWaalsContact O-CA 3.27Å; A49-T429 WeakPolarHBondContact O-CA 3.39Å; A49-T429 WeakPolarHBondContact O-CG2 3.2Å; N50-T429 HydrophobicContact CB-CG2 4.19Å; H399-T429 WeakPolarHBondContact NE2-CB 3.31Å; H399-T429 PolarHBondContact NE2-OG1 2.86Å; A417-T429 PolarHBondContact N-O 3.4Å; A417-T429 PolarHBondContact O-N 2.81Å; A417-T429 VanDerWaalsContact O-O 3.13Å; T429-F431 HydrophobicContact CG2-CD1 4.09Å; T429-F431 HydrophobicContact CG2-CD2 4.21Å; T429-F431 HydrophobicContact CG2-CE1 3.57Å; T429-F431 HydrophobicContact CG2-CE2 3.7Å; T429-F431 HydrophobicContact CG2-CG 4.4Å; T429-F431 HydrophobicContact CG2-CZ 3.36Å |
| 430 | V | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.6 | 172.7 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | V48 A49 L52 M58 I70 Y414 F415 L416 | V48-V430 PolarHBondContact N-O 2.74Å; A49-V430 HydrophobicContact CB-CB 4.23Å; A49-V430 HydrophobicContact CB-CG2 4.14Å; A49-V430 PolarHBondContact O-N 2.81Å; L52-V430 HydrophobicContact CD1-CG2 3.73Å; M58-V430 HydrophobicContact SD-CG1 3.92Å; I70-V430 HydrophobicContact CD1-CG2 4.03Å; I70-V430 HydrophobicContact CG2-CG2 4.35Å; Y414-V430 HydrophobicContact CD1-CG1 4.2Å; F415-V430 WeakPolarHBondContact O-CA 3.44Å; L416-V430 HydrophobicContact CD1-CG1 4.37Å; L416-V430 HydrophobicContact CG-CG1 4.24Å; L416-V430 HydrophobicContact CG-CG2 3.94Å |
| 431 | F | 98.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.1 | -176.3 | -57.7 | -85.6 | 0 | 0 | 0 | 109.9 | L45 T46 E47 I395 H398 H399 Y414 F415 A417 T429 | L45-F431 HydrophobicContact CB-CB 4.41Å; L45-F431 HydrophobicContact CB-CD1 4.39Å; L45-F431 HydrophobicContact CD1-CB 4.24Å; L45-F431 HydrophobicContact CD1-CD1 4.27Å; L45-F431 HydrophobicContact CD1-CG 4.31Å; L45-F431 HydrophobicContact CD2-CB 4.46Å; T46-F431 WeakPolarHBondContact O-CA 3.46Å; E47-F431 HydrophobicContact CG-CD1 4.38Å; E47-F431 HydrophobicContact CG-CE1 4.1Å; I395-F431 HydrophobicContact CD1-CD1 4.06Å; I395-F431 HydrophobicContact CD1-CE1 3.8Å; H398-F431 HydrophobicContact CB-CD1 4.5Å; H398-F431 HydrophobicContact CB-CD2 4.18Å; H398-F431 HydrophobicContact CB-CE1 4.23Å; H398-F431 HydrophobicContact CB-CE2 3.9Å; H398-F431 HydrophobicContact CB-CG 4.47Å; H398-F431 HydrophobicContact CB-CZ 3.92Å; H399-F431 AromaticContact CD2-CE2 3.95Å; H399-F431 AromaticContact CD2-CZ 3.88Å; Y414-F431 CarbonylContact C-O 3.44Å; Y414-F431 WeakPolarHBondContact CA-O 3.38Å; F415-F431 HydrophobicContact CD1-CB 4.08Å; F415-F431 HydrophobicContact CD2-CD2 4.27Å; F415-F431 HydrophobicContact CE1-CB 3.74Å; F415-F431 HydrophobicContact CE1-CD2 4.5Å; F415-F431 HydrophobicContact CE1-CG 4.38Å; F415-F431 HydrophobicContact CE2-CB 4.47Å; F415-F431 AromaticContact CE2-CD2 3.75Å; F415-F431 HydrophobicContact CE2-CD2 3.75Å; F415-F431 HydrophobicContact CE2-CE2 4.42Å; F415-F431 HydrophobicContact CE2-CG 4.39Å; F415-F431 HydrophobicContact CZ-CB 3.96Å; F415-F431 AromaticContact CZ-CD2 3.9Å; F415-F431 HydrophobicContact CZ-CD2 3.9Å; F415-F431 HydrophobicContact CZ-CG 4.09Å; F415-F431 PolarHBondContact N-O 2.77Å; F415-F431 PolarHBondContact O-N 2.73Å; A417-F431 HydrophobicContact CB-CD2 4.47Å; A417-F431 HydrophobicContact CB-CE2 4.13Å; T429-F431 HydrophobicContact CG2-CD1 4.09Å; T429-F431 HydrophobicContact CG2-CD2 4.21Å; T429-F431 HydrophobicContact CG2-CE1 3.57Å; T429-F431 HydrophobicContact CG2-CE2 3.7Å; T429-F431 HydrophobicContact CG2-CG 4.4Å; T429-F431 HydrophobicContact CG2-CZ 3.36Å |
| 432 | K | 97.1 | Very high | 87.5 | Confident | 21 Ų | 21 | 34 Ų | 34 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.8 | 168.7 | -177.8 | 171.4 | 179.4 | 153.6 | 0 | 110 | L45 T46 V48 E346 Y414 M434 | L45-K432 WeakPolarHBondContact CA-O 3.19Å; T46-K432 PolarHBondContact N-O 3Å; T46-K432 PolarHBondContact O-N 3.45Å; V48-K432 HydrophobicContact CG2-CB 3.95Å; E346-K432 IonicContact OE1-NZ 2.86Å; E346-K432 PolarHBondContact OE1-NZ 2.97Å; Y414-K432 HydrophobicContact CD1-CB 3.83Å; Y414-K432 HydrophobicContact CD1-CG 4.32Å; Y414-K432 HydrophobicContact CE1-CB 3.71Å; Y414-K432 HydrophobicContact CE1-CD 4.03Å; Y414-K432 HydrophobicContact CE1-CG 3.98Å; Y414-K432 HydrophobicContact CE2-CD 4.45Å; Y414-K432 HydrophobicContact CE2-CG 4.4Å; K432-M434 HydrophobicContact CD-SD 4.08Å; K432-M434 HydrophobicContact CG-SD 4.09Å |
| 433 | F | 95.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.8 | 171 | -78.6 | -91 | 0 | 0 | 0 | 111.5 | V43 L45 I355 L364 F405 L413 F415 | V43-F433 HydrophobicContact CB-CD1 4.45Å; V43-F433 HydrophobicContact CG2-CD1 4.15Å; V43-F433 HydrophobicContact CG2-CE1 4.29Å; L45-F433 HydrophobicContact CD2-CD1 4.27Å; I355-F433 HydrophobicContact CG2-CE1 4.08Å; I355-F433 HydrophobicContact CG2-CE2 4.25Å; I355-F433 HydrophobicContact CG2-CZ 3.75Å; L364-F433 HydrophobicContact CD1-CE1 4.06Å; L364-F433 HydrophobicContact CD1-CZ 4.13Å; L364-F433 HydrophobicContact CD2-CZ 3.99Å; F405-F433 HydrophobicContact CD1-CE2 4.3Å; F405-F433 AromaticContact CE1-CE2 3.88Å; F405-F433 HydrophobicContact CE1-CE2 3.88Å; F405-F433 AromaticContact CE1-CZ 3.98Å; F405-F433 HydrophobicContact CE1-CZ 3.98Å; L413-F433 HydrophobicContact CB-CD2 4.03Å; L413-F433 HydrophobicContact CD2-CD2 3.66Å; L413-F433 HydrophobicContact CD2-CE2 3.72Å; L413-F433 HydrophobicContact CD2-CG 4.27Å; L413-F433 HydrophobicContact CD2-CZ 4.43Å; L413-F433 HydrophobicContact CG-CD2 3.56Å; L413-F433 HydrophobicContact CG-CE2 3.84Å; L413-F433 HydrophobicContact CG-CG 4.45Å; L413-F433 PolarHBondContact O-N 3Å; F415-F433 HydrophobicContact CB-CE2 4.29Å; F415-F433 HydrophobicContact CD1-CD2 4.13Å; F415-F433 AromaticContact CD1-CE2 3.45Å; F415-F433 HydrophobicContact CD1-CE2 3.45Å; F415-F433 VanDerWaalsContact CD1-CE2 3.45Å; F415-F433 AromaticContact CD1-CZ 3.69Å; F415-F433 HydrophobicContact CD1-CZ 3.69Å; F415-F433 HydrophobicContact CE1-CE2 4.2Å; F415-F433 HydrophobicContact CE1-CZ 4.08Å; F415-F433 HydrophobicContact CG-CE2 4.31Å |
| 434 | M | 92 | Very high | 85 | Confident | 33 Ų | 33 | 46 Ų | 46 | 16% | 0.163 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111.4 | -179.4 | -54.3 | -70.4 | -81.5 | 0 | 0 | 109.4 | C44 L394 K432 P436 R438 | C44-M434 HydrophobicContact CB-CB 4.42Å; C44-M434 PolarHBondContact N-O 2.91Å; C44-M434 WeakPolarHBondContact O-CA 3.28Å; C44-M434 WeakPolarHBondContact O-CB 3.13Å; C44-M434 PolarHBondContact O-N 2.78Å; C44-M434 VanDerWaalsContact O-O 3.11Å; L394-M434 HydrophobicContact CD2-CB 3.75Å; L394-M434 HydrophobicContact CD2-CE 3.92Å; L394-M434 HydrophobicContact CD2-CG 3.75Å; K432-M434 HydrophobicContact CD-SD 4.08Å; K432-M434 HydrophobicContact CG-SD 4.09Å; M434-P436 WeakPolarHBondContact O-CD 3.42Å; M434-R438 VanDerWaalsContact CE-NH2 3.29Å; M434-R438 PolarHBondContact SD-NH2 2.85Å |
| 435 | D | 89.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | trans | -64.8 | 120.6 | 167.3 | 175.3 | -9.4 | 0 | 0 | 0 | 109.6 | S347 N349 S437 R438 | S347-D435 PolarHBondContact OG-N 2.85Å; N349-D435 WeakPolarHBondContact CB-OD2 3.3Å; N349-D435 PolarHBondContact ND2-OD2 3.1Å; D435-S437 VanDerWaalsContact C-N 3.3Å; D435-S437 PolarHBondContact O-N 3.25Å; D435-S437 VanDerWaalsContact OD1-CB 3.27Å; D435-S437 WeakPolarHBondContact OD1-CB 3.46Å; D435-S437 PolarHBondContact OD1-N 3.01Å; D435-S437 PolarHBondContact OD1-OG 3.07Å; D435-S437 PolarHBondContact OD2-OG 3.38Å; D435-S437 VanDerWaalsContact OD2-OG 3.13Å; D435-R438 VanDerWaalsContact O-CG 3.32Å; D435-R438 WeakPolarHBondContact O-CG 3.14Å | ||
| 436 | P | 83.2 | Confident | 83.7 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.5 | -177.8 | 28.9 | -34.2 | 0 | 0 | 0 | 114.7 | Q42 T388 M434 R438 | Q42-P436 VanDerWaalsContact O-CD 3.31Å; Q42-P436 WeakPolarHBondContact O-CD 3.45Å; T388-P436 HydrophobicContact CG2-CB 3.48Å; T388-P436 VanDerWaalsContact CG2-CB 3.48Å; T388-P436 HydrophobicContact CG2-CG 3.51Å; M434-P436 WeakPolarHBondContact O-CD 3.42Å; P436-R438 PolarHBondContact O-N 2.88Å |
| 437 | S | 77.3 | Confident | 83.1 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.2 | 178 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | N349 D435 | N349-S437 PolarHBondContact ND2-OG 3.24Å; D435-S437 VanDerWaalsContact C-N 3.3Å; D435-S437 PolarHBondContact O-N 3.25Å; D435-S437 VanDerWaalsContact OD1-CB 3.27Å; D435-S437 WeakPolarHBondContact OD1-CB 3.46Å; D435-S437 PolarHBondContact OD1-N 3.01Å; D435-S437 PolarHBondContact OD1-OG 3.07Å; D435-S437 PolarHBondContact OD2-OG 3.38Å; D435-S437 VanDerWaalsContact OD2-OG 3.13Å |
| 438 | R | 74.6 | Confident | 82.8 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -100.9 | 135.2 | 177.9 | 80.8 | -158.8 | 177.5 | 103 | -11.7 | 112 | E346 M434 D435 P436 | E346-R438 WeakPolarHBondContact O-CD 3.47Å; E346-R438 IonicContact OE2-CZ 3.25Å; E346-R438 VanDerWaalsContact OE2-CZ 3.25Å; E346-R438 IonicContact OE2-NH1 2.78Å; E346-R438 PolarHBondContact OE2-NH1 3.24Å; E346-R438 IonicContact OE2-NH2 2.8Å; E346-R438 PolarHBondContact OE2-NH2 2.74Å; M434-R438 VanDerWaalsContact CE-NH2 3.29Å; M434-R438 PolarHBondContact SD-NH2 2.85Å; D435-R438 VanDerWaalsContact O-CG 3.32Å; D435-R438 WeakPolarHBondContact O-CG 3.14Å; P436-R438 PolarHBondContact O-N 2.88Å | ||
| 439 | R | 63 | Low | 82.5 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -90.7 | -10.4 | 170.3 | -56 | -165.5 | -152.4 | 135.8 | 23.1 | 114.4 | D14 | D14-R439 IonicContact OD2-CZ 3.18Å; D14-R439 IonicContact OD2-NE 3.59Å; D14-R439 IonicContact OD2-NH1 3.95Å; D14-R439 IonicContact OD2-NH2 2.65Å; D14-R439 PolarHBondContact OD2-NH2 3.19Å |
| 440 | A | 64.8 | Low | 82.4 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -159.5 | 159.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 441 | P | 67.2 | Low | 82.2 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | trans | -54.5 | 132.7 | 165.4 | -25.4 | 35.4 | 0 | 0 | 0 | 111.4 | E346 G443 | E346-P441 HydrophobicContact CG-CB 4.24Å; P441-G443 PolarHBondContact O-N 2.71Å | ||
| 442 | P | 71.3 | Confident | 82.2 | Confident | 45 Ų | 45 | 69 Ų | 69 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | trans | -57.4 | 139.4 | 178.3 | -23.9 | 33.2 | 0 | 0 | 0 | 111.7 | E346 K444 C445 | E346-P442 WeakPolarHBondContact O-CD 3.35Å; P442-K444 PolarHBondContact O-N 2.82Å; P442-C445 WeakPolarHBondContact O-CB 3.41Å; P442-C445 PolarHBondContact O-N 2.78Å | ||
| 443 | G | 66.8 | Low | 82.1 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 61% | 0.608 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -11.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P441 | P441-G443 PolarHBondContact O-N 2.71Š|
| 444 | K | 70.7 | Confident | 82.1 | Confident | 201 Ų | 201 | 78.3 Ų | 78.3 | 87% | 0.874 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -24.8 | 173.2 | -63.4 | -179.1 | 179.4 | 178.4 | 0 | 113.1 | P442 K446 | P442-K444 PolarHBondContact O-N 2.82Å; K444-K446 PolarHBondContact O-N 2.75Å |
| 445 | C | 80.8 | Confident | 82.2 | Confident | 18 Ų | 18 | 83.4 Ų | 83.4 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | trans | -82.5 | 29.7 | -172.2 | -47.9 | 0 | 0 | 0 | 0 | 114.1 | C345 P442 Q447 | C345-C445 HydrophobicContact CB-CB 3.74Å; C345-C445 WeakPolarHBondContact CB-SG 3.37Å; C345-C445 PolarHBondContact O-SG 2.87Å; C345-C445 WeakPolarHBondContact SG-CA 3.4Å; C345-C445 WeakPolarHBondContact SG-CB 3.43Å; C345-C445 CovalentContact SG-SG 2.04Å; C345-C445 PolarHBondContact SG-SG 2.92Å; P442-C445 WeakPolarHBondContact O-CB 3.41Å; P442-C445 PolarHBondContact O-N 2.78Å; C445-Q447 PolarHBondContact O-N 2.97Å | ||
| 446 | K | 79.8 | Confident | 82.3 | Confident | 172 Ų | 172 | 86.4 Ų | 86.4 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | trans | -82.2 | 82.1 | -173.9 | -72.6 | -179.1 | 179.9 | 179 | 0 | 112 | K444 | K444-K446 PolarHBondContact O-N 2.75Š| ||
| 447 | Q | 83.1 | Confident | 82.9 | Confident | 43 Ų | 43 | 90.8 Ų | 90.8 | 20% | 0.201 | 48% | 0.484 | C | S | . | . | trans | -61.1 | 141.4 | 170.5 | -53.6 | 149.4 | 3.1 | 0 | 0 | 111 | A410 C445 P449 | A410-Q447 HydrophobicContact CB-CG 4.29Å; C445-Q447 PolarHBondContact O-N 2.97Å; Q447-P449 WeakPolarHBondContact O-CD 3.44Å | ||
| 448 | K | 88.8 | Confident | 83.8 | Confident | 198 Ų | 198 | 92.9 Ų | 92.9 | 86% | 0.861 | 49% | 0.487 | S | S | * | . | trans | -117.6 | 78.5 | 172.5 | -70.1 | -177.2 | -179.7 | 177.5 | 0 | 109.6 | ||||
| 449 | P | 92.4 | Very high | 84.8 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 31% | 0.305 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 149.8 | -175.9 | 28.8 | -38.1 | 0 | 0 | 0 | 112.4 | D64 H66 Q447 | D64-P449 CarbonylContact O-C 3.57Å; D64-P449 VanDerWaalsContact O-CA 3.25Å; D64-P449 WeakPolarHBondContact O-CA 3.2Å; H66-P449 HydrophobicContact CB-CB 4.33Å; Q447-P449 WeakPolarHBondContact O-CD 3.44Å |
| 450 | L | 95.5 | Very high | 86.4 | Confident | 69 Ų | 69 | 94 Ų | 94 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 146.3 | 168.9 | -67.2 | -176.6 | 0 | 0 | 0 | 111.4 | D64 T65 V452 | D64-L450 HydrophobicContact CB-CD1 3.92Å; D64-L450 HydrophobicContact CB-CG 3.87Å; D64-L450 PolarHBondContact O-N 3.38Å; T65-L450 HydrophobicContact CG2-CB 4.34Å; L450-V452 PolarHBondContact O-N 3.01Å |
| 451 | P | 94.8 | Very high | 87.8 | Confident | 113 Ų | 113 | 93.5 Ų | 93.5 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 118.3 | -175.5 | 28.8 | -34.6 | 0 | 0 | 0 | 112 | K453 | P451-K453 PolarHBondContact O-N 3.28Š|
| 452 | V | 96.8 | Very high | 89 | Confident | 37 Ų | 37 | 96 Ų | 96 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 117.9 | 172.4 | -176.6 | 0 | 0 | 0 | 0 | 110 | T65 R67 L81 M152 N153 L450 V454 | T65-V452 HydrophobicContact CG2-CG2 4.26Å; R67-V452 HydrophobicContact CG-CG2 3.64Å; L81-V452 HydrophobicContact CD2-CB 4.26Å; L81-V452 HydrophobicContact CD2-CG1 3.93Å; L81-V452 HydrophobicContact CD2-CG2 4.22Å; M152-V452 HydrophobicContact SD-CG1 4.4Å; N153-V452 VanDerWaalsContact OD1-CG1 3.32Å; N153-V452 WeakPolarHBondContact OD1-CG1 3.39Å; L450-V452 PolarHBondContact O-N 3.01Å; V452-V454 HydrophobicContact CG1-CG2 3.82Å |
| 453 | K | 95.8 | Very high | 89.9 | Confident | 172 Ų | 172 | 97 Ų | 97 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 129.1 | 165.9 | -63.7 | 176.2 | -177.5 | 174.1 | 0 | 108 | M152 N153 P451 | M152-K453 HydrophobicContact SD-CB 4.04Å; N153-K453 PolarHBondContact ND2-O 3.09Å; P451-K453 PolarHBondContact O-N 3.28Å |
| 454 | V | 96.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 98.2 Ų | 98.2 | 27% | 0.273 | 51% | 0.507 | S | S | . | . | trans | -124.6 | 134.7 | -178.4 | 175 | 0 | 0 | 0 | 0 | 110 | L81 L87 V452 K458 | L81-V454 HydrophobicContact CD1-CG2 4.1Å; L87-V454 HydrophobicContact CD1-CG1 4.44Å; L87-V454 HydrophobicContact CD2-CG1 3.62Å; L87-V454 HydrophobicContact CD2-CG2 4Å; V452-V454 HydrophobicContact CG1-CG2 3.82Å; V454-K458 HydrophobicContact CG1-CG 4.24Å | ||
| 455 | K | 93.3 | Very high | 90.8 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 61% | 0.609 | 49% | 0.485 | S | S | * | . | trans | -111.6 | 143 | 168.8 | -56 | -175.3 | -167 | 171.9 | 0 | 109.2 | G150 D151 | G150-K455 WeakPolarHBondContact O-CE 3.45Å; G150-K455 PolarHBondContact O-NZ 3.22Å; D151-K455 WeakPolarHBondContact OD2-CB 3.29Å; D151-K455 VanDerWaalsContact OD2-CD 3.28Å; D151-K455 WeakPolarHBondContact OD2-CD 3.49Å; D151-K455 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 456 | G | 92 | Very high | 89.8 | Confident | 65 Ų | 65 | 100 Ų | 100 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 79.9 | -168.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 457 | K | 95.5 | Very high | 88.8 | Confident | 119 Ų | 119 | 93.8 Ų | 93.8 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | trans | -81.9 | 154 | -175.4 | -57.5 | 177.2 | -154 | 76.4 | 0 | 112.6 | E88 F459 | E88-K457 HydrophobicContact CB-CB 4.12Å; E88-K457 WeakPolarHBondContact CB-O 3.37Å; E88-K457 PolarHBondContact N-O 2.85Å; E88-K457 IonicContact OE1-NZ 3.53Å; E88-K457 PolarHBondContact OE1-NZ 2.76Å; E88-K457 WeakPolarHBondContact OE2-CB 3.27Å; E88-K457 WeakPolarHBondContact OE2-CG 3.37Å; E88-K457 PolarHBondContact OE2-N 2.73Å; E88-K457 IonicContact OE2-NZ 3.48Å; E88-K457 PolarHBondContact OE2-NZ 2.68Å; K457-F459 HydrophobicContact CB-CE2 4.4Å; K457-F459 HydrophobicContact CD-CZ 4.5Å | ||
| 458 | K | 96.2 | Very high | 87.5 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141 | 161.1 | -65.6 | 179.9 | 168.5 | -155.3 | 0 | 109 | L81 D83 L87 V454 | L81-K458 HydrophobicContact CD1-CD 4.08Å; L81-K458 HydrophobicContact CD1-CG 4.49Å; D83-K458 IonicContact OD2-NZ 2.67Å; D83-K458 PolarHBondContact OD2-NZ 2.96Å; L87-K458 HydrophobicContact CD2-CG 4.06Å; V454-K458 HydrophobicContact CG1-CG 4.24Å |
| 459 | F | 96.5 | Very high | 85.6 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.7 | 169.6 | -66.4 | -82.7 | 0 | 0 | 0 | 108.6 | S85 R86 E88 K457 F461 | S85-F459 CarbonylContact C-O 3.57Å; S85-F459 WeakPolarHBondContact CA-O 2.97Å; S85-F459 WeakPolarHBondContact CB-O 3.49Å; R86-F459 PolarHBondContact N-O 3.38Å; R86-F459 PolarHBondContact O-N 3.41Å; E88-F459 HydrophobicContact CB-CD2 4.45Å; E88-F459 HydrophobicContact CB-CE2 3.75Å; E88-F459 HydrophobicContact CG-CE2 3.97Å; K457-F459 HydrophobicContact CB-CE2 4.4Å; K457-F459 HydrophobicContact CD-CZ 4.5Å; F459-F461 PolarHBondContact O-N 3.36Å |
| 460 | P | 96.1 | Very high | 83.2 | Confident | 104 Ų | 104 | 95.2 Ų | 95.2 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | trans | -55.9 | 136.5 | 173.5 | -23.8 | 34.3 | 0 | 0 | 0 | 110.6 | ||||
| 461 | F | 95.2 | Very high | 80.8 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 22% | 0.224 | 51% | 0.506 | C | S | . | . | trans | -70.1 | 142.8 | 175.2 | 174.7 | -109.9 | 0 | 0 | 0 | 111.1 | E47 N50 G84 F459 P463 | E47-F461 HydrophobicContact CB-CE1 4.08Å; E47-F461 HydrophobicContact CB-CZ 3.69Å; E47-F461 VanDerWaalsContact O-CE1 3.24Å; E47-F461 WeakPolarHBondContact O-CE1 3.44Å; N50-F461 HydrophobicContact CB-CE2 4.3Å; N50-F461 WeakPolarHBondContact ND2-CE2 3.2Å; G84-F461 VanDerWaalsContact O-CB 3.23Å; G84-F461 WeakPolarHBondContact O-CB 3.16Å; F459-F461 PolarHBondContact O-N 3.36Å; F461-P463 HydrophobicContact CD1-CG 4.46Å; F461-P463 HydrophobicContact CE1-CB 4.35Å; F461-P463 HydrophobicContact CE1-CG 3.77Å; F461-P463 HydrophobicContact CZ-CB 4.48Å; F461-P463 HydrophobicContact CZ-CG 4.36Å | ||
| 462 | I | 92.2 | Very high | 78.2 | Confident | 132 Ų | 132 | 98.8 Ų | 98.8 | 68% | 0.677 | 52% | 0.517 | S | S | * | . | trans | -132.5 | 116.8 | 176.3 | -57 | 179 | 0 | 0 | 0 | 106.4 | N50 | N50-I462 PolarHBondContact ND2-O 3.43Š| ||
| 463 | P | 89.4 | Confident | 75.6 | Confident | 66 Ų | 66 | 104.7 Ų | 104.7 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | trans | -55.5 | 144.9 | 171.5 | -25.3 | 34 | 0 | 0 | 0 | 112 | E47 F461 E465 | E47-P463 HydrophobicContact CB-CB 4.48Å; E47-P463 WeakPolarHBondContact OE2-CA 3.32Å; F461-P463 HydrophobicContact CD1-CG 4.46Å; F461-P463 HydrophobicContact CE1-CB 4.35Å; F461-P463 HydrophobicContact CE1-CG 3.77Å; F461-P463 HydrophobicContact CZ-CB 4.48Å; F461-P463 HydrophobicContact CZ-CG 4.36Å; P463-E465 VanDerWaalsContact CB-O 3.28Å; P463-E465 WeakPolarHBondContact CB-O 3.31Å | ||
| 464 | S | 83.9 | Confident | 72.6 | Confident | 83 Ų | 83 | 105 Ų | 105 | 58% | 0.58 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -77.6 | -44.5 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | E47 N50 | E47-S464 WeakPolarHBondContact OE1-CB 3.22Å; E47-S464 PolarHBondContact OE1-N 3.2Å; E47-S464 PolarHBondContact OE2-N 3.03Å; N50-S464 PolarHBondContact ND2-N 2.72Å; N50-S464 PolarHBondContact ND2-OG 3.35Å |
| 465 | E | 72.1 | Confident | 69.7 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 41% | 0.411 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -82.2 | 147.1 | 172.3 | -67.6 | -70.5 | -179 | 0 | 0 | 112.4 | E47 I395 H397 P463 | E47-E465 PolarHBondContact OE1-N 2.85Å; I395-E465 HydrophobicContact CG2-CB 3.94Å; H397-E465 IonicContact CD2-OE1 3.67Å; H397-E465 VanDerWaalsContact CE1-CD 3.46Å; H397-E465 IonicContact CE1-OE1 2.93Å; H397-E465 IonicContact CE1-OE2 3.52Å; H397-E465 IonicContact NE2-OE1 3.89Å; H397-E465 PolarHBondContact NE2-OE1 2.75Å; H397-E465 IonicContact NE2-OE2 2.6Å; P463-E465 VanDerWaalsContact CB-O 3.28Å; P463-E465 WeakPolarHBondContact CB-O 3.31Å |
| 466 | Q | 60.5 | Low | 67.2 | Low | 169 Ų | 169 | 107.9 Ų | 107.9 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | trans | -110.1 | 152.4 | 172.6 | -63.7 | -172 | 14.4 | 0 | 0 | 110.5 | V468 | Q466-V468 PolarHBondContact O-N 3.06Š| ||
| 467 | T | 58.7 | Low | 64.7 | Low | 41 Ų | 41 | 114.5 Ų | 114.5 | 25% | 0.252 | 58% | 0.58 | S | S | . | * | trans | -43.8 | 136.1 | -178.1 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | S390 F391 P392 G393 L469 | S390-T467 WeakPolarHBondContact O-CG2 3.35Å; F391-T467 WeakPolarHBondContact O-CG2 3.38Å; P392-T467 WeakPolarHBondContact CA-OG1 3.48Å; G393-T467 PolarHBondContact N-OG1 3.14Å; T467-L469 HydrophobicContact CG2-CD1 4.48Å; T467-L469 HydrophobicContact CG2-CG 3.98Å; T467-L469 PolarHBondContact O-N 3.05Å | ||
| 468 | V | 55.5 | Low | 62.2 | Low | 39 Ų | 39 | 114 Ų | 114 | 24% | 0.236 | 59% | 0.589 | C | S | . | * | trans | -75.2 | 60 | -177 | -163.7 | 0 | 0 | 0 | 0 | 112.5 | T386 Q466 | T386-V468 HydrophobicContact CG2-CG1 3.79Å; Q466-V468 PolarHBondContact O-N 3.06Å | ||
| 469 | L | 48.7 | Very low | 59.3 | Low | 87 Ų | 87 | 117.6 Ų | 117.6 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | -92.9 | 111.8 | 173.6 | -66.5 | 177.3 | 0 | 0 | 0 | 110.3 | S390 T467 T471 | S390-L469 WeakPolarHBondContact O-CD2 3.41Å; T467-L469 HydrophobicContact CG2-CD1 4.48Å; T467-L469 HydrophobicContact CG2-CG 3.98Å; T467-L469 PolarHBondContact O-N 3.05Å; L469-T471 PolarHBondContact O-N 3.26Å | ||
| 470 | K | 43.3 | Very low | 56.5 | Low | 192 Ų | 192 | 119.9 Ų | 119.9 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | trans | -76.6 | 50.4 | 170 | -74.8 | -172.4 | 174.5 | 178 | 0 | 112.1 | ||||
| 471 | T | 43.7 | Very low | 53.9 | Low | 78 Ų | 78 | 126.6 Ų | 126.6 | 48% | 0.479 | 64% | 0.64 | S | S | . | * | trans | -125.3 | 121.6 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | L469 E473 | L469-T471 PolarHBondContact O-N 3.26Å; T471-E473 PolarHBondContact O-N 3.13Å | ||
| 472 | N | 40.5 | Very low | 51 | Low | 179 Ų | 179 | 133.7 Ų | 133.7 | 96% | 0.957 | 67% | 0.67 | S | S | * | * | trans | -67.9 | -1.2 | 172.7 | -77.1 | -25.4 | 0 | 0 | 0 | 113.2 | ||||
| 473 | E | 43.1 | Very low | 48.4 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | trans | -78 | 119.3 | 176.4 | -58 | -159.8 | 135.4 | 0 | 0 | 111.2 | T471 | T471-E473 PolarHBondContact O-N 3.13Š| ||
| 474 | K | 32.3 | Very low | 45.9 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | trans | -62.5 | 134.4 | 165 | -69.7 | 176.3 | 179.2 | 173.7 | 0 | 108.5 | T476 | K474-T476 PolarHBondContact O-N 3.18Å; K474-T476 PolarHBondContact O-OG1 2.71Å | ||
| 475 | P | 35.4 | Very low | 43.6 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -57.3 | 94.9 | 175 | -27.3 | 36 | 0 | 0 | 0 | 111.5 | R477 | P475-R477 PolarHBondContact O-N 3.18Š| ||
| 476 | T | 39.6 | Very low | 41.9 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -82.3 | 69.4 | -174.3 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | K474 P478 | K474-T476 PolarHBondContact O-N 3.18Å; K474-T476 PolarHBondContact O-OG1 2.71Å; T476-P478 WeakPolarHBondContact O-CD 3.45Å; T476-P478 VanDerWaalsContact O-N 3.14Å | ||
| 477 | R | 40.1 | Very low | 41 | Very low | 205 Ų | 205 | 143 Ų | 143 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116 | 173.7 | -169.2 | -178.2 | -163.7 | -153.2 | 5.3 | 107.7 | P475 L479 | P475-R477 PolarHBondContact O-N 3.18Å; R477-L479 PolarHBondContact O-N 3.41Å |
| 478 | P | 42.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 133.5 | 176.9 | -23.6 | 34.8 | 0 | 0 | 0 | 109 | T476 L480 | T476-P478 WeakPolarHBondContact O-CD 3.45Å; T476-P478 VanDerWaalsContact O-N 3.14Å; P478-L480 PolarHBondContact O-N 2.89Å; P478-L480 VanDerWaalsContact O-N 3.12Å |
| 479 | L | 35.3 | Very low | 39.4 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.6 | 173.6 | -78.8 | 170.5 | 0 | 0 | 0 | 108.3 | R477 R481 | R477-L479 PolarHBondContact O-N 3.41Å; L479-R481 PolarHBondContact O-N 3.27Å |
| 480 | L | 38.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 156 Ų | 156 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -51.4 | 108.2 | 173.5 | -83.4 | 163.7 | 0 | 0 | 0 | 108.2 | P478 K482 | P478-L480 PolarHBondContact O-N 2.89Å; P478-L480 VanDerWaalsContact O-N 3.12Å; L480-K482 PolarHBondContact O-N 2.79Å | ||
| 481 | R | 41.8 | Very low | 38.1 | Very low | 246 Ų | 246 | 151.8 Ų | 151.8 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -54.4 | 113.8 | 174.6 | -86.9 | -174.5 | 168.8 | -174 | -2.3 | 106.8 | L479 Y483 | L479-R481 PolarHBondContact O-N 3.27Å; R481-Y483 PolarHBondContact O-N 2.8Å | ||
| 482 | K | 33.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -55.6 | 107.8 | 177.3 | -74.1 | -174.3 | 176.4 | -178 | 0 | 108 | L480 K484 | L480-K482 PolarHBondContact O-N 2.79Å; K482-K484 PolarHBondContact O-N 3.48Å | ||
| 483 | Y | 36.8 | Very low | 37.2 | Very low | 204 Ų | 204 | 154 Ų | 154 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -65.7 | 100.7 | 178.2 | -169.1 | -91.3 | 0 | 0 | 0 | 107.9 | R481 P485 | R481-Y483 PolarHBondContact O-N 2.8Å; Y483-P485 WeakPolarHBondContact O-CD 3.5Å | ||
| 484 | K | 36.8 | Very low | 36.6 | Very low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 122.7 | 167.5 | -73.9 | -173.8 | 175.8 | -176.7 | 0 | 106.7 | K482 A486 | K482-K484 PolarHBondContact O-N 3.48Å; K484-A486 PolarHBondContact O-N 3.31Å |
| 485 | P | 35.7 | Very low | 36.5 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136.9 | 167.8 | -22.3 | 34 | 0 | 0 | 0 | 109.3 | Y483 | Y483-P485 WeakPolarHBondContact O-CD 3.5Š|
| 486 | A | 37.2 | Very low | 36.3 | Very low | 94 Ų | 94 | 152.9 Ų | 152.9 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K484 | K484-A486 PolarHBondContact O-N 3.31Š|
| 487 | T | 40.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 154 | 170.1 | 37 | 0 | 0 | 0 | 0 | 110.8 | ||
| 488 | K | 41.7 | Very low | 35.3 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 148.1 | -175.9 | -66.6 | -178.8 | 176.2 | -177.8 | 0 | 112.8 | ||
| 489 | P | 39.7 | Very low | 34.6 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 155.9 | 164.5 | -21.1 | 32.8 | 0 | 0 | 0 | 111.8 | ||
| 490 | P | 34 | Very low | 34.4 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.8 | 170.9 | -19.3 | 32.2 | 0 | 0 | 0 | 111.2 | ||
| 491 | A | 31.9 | Very low | 34 | Very low | 102 Ų | 102 | 143 Ų | 143 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 492 | M | 32.3 | Very low | 33.5 | Very low | 180 Ų | 180 | 136 Ų | 136 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 145.9 | 161.3 | -72.8 | -176.3 | 63.4 | 0 | 0 | 109.7 | ||
| 493 | S | 31.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 141.6 | 172.9 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 494 | G | 30.8 | Very low | 33 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -160.6 | 127.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 495 | Q | 30.7 | Very low | 32.6 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 140.5 | -176.4 | -63.6 | 161.6 | -76.8 | 0 | 0 | 110.6 | ||||
| 496 | H | 32.1 | Very low | 32.4 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | 164.5 | 141.6 | 115 | -95.7 | -81.8 | 0 | 0 | 0 | 113.1 | |||||
| 497 | G | 29.3 | Very low | 32.1 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 87.1 | 114.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 498 | S | 27.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 47.4 | 137.8 | 125.1 | -112.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 499 | T | 29.3 | Very low | 31 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | cis | -163 | 163.9 | 2.7 | -16.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 500 | T | 30.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | 60.9 | 122 | 151.1 | 45.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 501 | T | 30.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | 67.1 | 144.2 | 137.5 | 56.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 502 | A | 31.6 | Very low | 30 | Very low | 100 Ų | 100 | 120 Ų | 120 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | cis | -147.2 | -171.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 503 | A | 30 | Very low | 29.9 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 504 | S | 30.6 | Very low | 30.4 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -153.9 | 166.3 | 24.8 | 65.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 505 | T | 28.7 | Very low | 30.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -34 | 158.1 | 149.5 | 31 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 506 | T | 30.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | -148.7 | 141.1 | 43.9 | 34.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 507 | T | 30.3 | Very low | 30 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | 37.9 | 141.2 | 96.2 | 64.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 508 | K | 30.1 | Very low | 29.9 | Very low | 194 Ų | 194 | 126.1 Ų | 126.1 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | cis | -169.5 | 161.7 | 11.2 | -128.1 | 174.5 | -177.5 | 178.7 | 0 | 111.3 | ||||
| 509 | A | 29.2 | Very low | 30.5 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | 51 | 138.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 510 | A | 28.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | cis | 69.7 | 132.3 | 46.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 511 | A | 28.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | -139.3 | -149.8 | 2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 512 | A | 28.2 | Very low | 30.8 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | cis | -159.1 | -144.2 | 8.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 513 | K | 30.5 | Very low | 30.7 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -136.7 | 174.3 | 165.9 | -69.6 | -176.7 | 157.9 | -161.4 | 0 | 110 | D515 | K513-D515 IonicContact NZ-OD1 3.05Å; K513-D515 PolarHBondContact NZ-OD1 3.03Å | ||
| 514 | P | 40.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -140.5 | 174.9 | 88.8 | 35.8 | -19.1 | 0 | 0 | 0 | 115.2 | |||||
| 515 | D | 29.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -87.8 | -175.9 | -176.7 | -39.3 | -86.8 | 0 | 0 | 0 | 113.6 | K513 | K513-D515 IonicContact NZ-OD1 3.05Å; K513-D515 PolarHBondContact NZ-OD1 3.03Å | ||
| 516 | R | 28.1 | Very low | 30.5 | Very low | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 165 | 130.9 | 112.9 | -168.2 | 168.2 | -147.4 | -161.7 | 7.9 | 116.7 | |||||
| 517 | K | 26.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 72 | 119.6 | 153.2 | -81.3 | 176.2 | -178.9 | -172.3 | 0 | 123.8 | ||||
| 518 | T | 29.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 170.5 | 143.2 | 8.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 519 | P | 38.2 | Very low | 30.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -160.8 | 173.7 | 58.4 | 42.7 | -19 | 0 | 0 | 0 | 122.3 | |||||
| 520 | T | 28.6 | Very low | 30.1 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | 78.9 | 153.7 | 146.2 | 35.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 521 | K | 28.7 | Very low | 30 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -91.1 | -169.5 | -172.4 | -57.8 | 177.7 | 175.3 | 175.5 | 0 | 111.5 | ||||
| 522 | P | 39.7 | Very low | 30 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -149.6 | -165.7 | 14.2 | 37 | -10.1 | 0 | 0 | 0 | 119.2 | ||||
| 523 | V | 28.6 | Very low | 30 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 79.3 | 145.1 | 167 | -172.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 524 | G | 28.3 | Very low | 30 | Very low | 69 Ų | 69 | 157 Ų | 157 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | -151.7 | -150.3 | 9.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 525 | K | 29.1 | Very low | 29.6 | Very low | 201 Ų | 201 | 161 Ų | 161 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -118.1 | 165.3 | -162.4 | -65.4 | 178.6 | 178.6 | 174.6 | 0 | 115.6 | ||||
| 526 | N | 28.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 165.1 Ų | 165.1 | 69% | 0.69 | 81% | 0.814 | S | S | * | * | trans | 98.8 | 115.7 | 148.1 | -78.6 | -22.3 | 0 | 0 | 0 | 122.8 | ||||
| 527 | K | 28.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 163.1 Ų | 163.1 | 74% | 0.735 | 82% | 0.819 | S | S | * | * | 52.4 | 108.5 | 125.2 | -58 | 178.5 | -177.5 | -178.7 | 0 | 121.7 | |||||
| 528 | N | 27.9 | Very low | 29.9 | Very low | 146 Ų | 146 | 164.9 Ų | 164.9 | 78% | 0.781 | 83% | 0.826 | S | S | * | * | -178.3 | 141.2 | 104.2 | -88.7 | -26.5 | 0 | 0 | 0 | 108.8 | |||||
| 529 | K | 27.5 | Very low | 30 | Very low | 198 Ų | 198 | 167.8 Ų | 167.8 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | 67.5 | 135.9 | 60 | -91.1 | -165 | 175 | -172.1 | 0 | 114.9 | |||||
| 530 | S | 27 | Very low | 29.6 | Very low | 101 Ų | 101 | 172.7 Ų | 172.7 | 71% | 0.706 | 84% | 0.841 | S | S | * | * | trans | 80.7 | 91.1 | 174 | -171.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 531 | W | 26.2 | Very low | 29.6 | Very low | 246 Ų | 246 | 174.9 Ų | 174.9 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -130.4 | 69.4 | 149.3 | -90.3 | 84.1 | 0 | 0 | 0 | 110.1 | ||||
| 532 | Q | 29.7 | Very low | 29.7 | Very low | 187 Ų | 187 | 173.5 Ų | 173.5 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | trans | -136.8 | 73.5 | 169.4 | -92.3 | -164.2 | -27.3 | 0 | 0 | 109.9 | ||||
| 533 | K | 27.9 | Very low | 29.1 | Very low | 205 Ų | 205 | 175.6 Ų | 175.6 | 89% | 0.891 | 85% | 0.847 | S | S | * | * | trans | -155.7 | 27.6 | 170.8 | -131.9 | 176.2 | -175.5 | -178.2 | 0 | 117.7 | ||||
| 534 | E | 30.2 | Very low | 29 | Very low | 173 Ų | 173 | 178.2 Ų | 178.2 | 81% | 0.808 | 85% | 0.846 | S | S | * | * | trans | -140.2 | 55.1 | -176.4 | -143.9 | 157.9 | -120.6 | 0 | 0 | 114.8 | ||||
| 535 | K | 32.2 | Very low | 29 | Very low | 208 Ų | 208 | 183 Ų | 183 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -154.4 | 44.1 | 163.1 | -122.8 | 173.1 | -172.5 | -178.8 | 0 | 114.5 | ||
| 536 | K | 30.4 | Very low | 29.1 | Very low | 210 Ų | 210 | 184.1 Ų | 184.1 | 91% | 0.913 | 85% | 0.854 | S | S | * | * | trans | -139.5 | 66.4 | 167.5 | -91 | -162.5 | 171.6 | -173.9 | 0 | 111.2 | ||||
| 537 | L | 29.6 | Very low | 29.1 | Very low | 172 Ų | 172 | 186.2 Ų | 186.2 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | trans | -161.8 | 63.3 | 172.7 | -113.6 | 165.8 | 0 | 0 | 0 | 111.2 | ||||
| 538 | K | 30.8 | Very low | 29 | Very low | 211 Ų | 211 | 185.2 Ų | 185.2 | 92% | 0.917 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -155.3 | 35.9 | 166.1 | -121 | 173 | -172.7 | -177.1 | 0 | 114.7 | ||
| 539 | E | 32.2 | Very low | 29.2 | Very low | 190 Ų | 190 | 186.8 Ų | 186.8 | 89% | 0.888 | 87% | 0.865 | S | S | * | * | trans | -136.6 | 78.5 | 167.7 | -80.5 | -170.9 | 127.4 | 0 | 0 | 109.1 | ||||
| 540 | K | 29.4 | Very low | 30 | Very low | 211 Ų | 211 | 182.2 Ų | 182.2 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -172.3 | 51.7 | 165.4 | -114.1 | 166.2 | -172.3 | 178.5 | 0 | 114.1 | ||||
| 541 | E | 28.1 | Very low | 31.3 | Very low | 187 Ų | 187 | 182.2 Ų | 182.2 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | -145.7 | 164.7 | 164.4 | -130.6 | 160.1 | -155.5 | 0 | 0 | 110.7 | ||||
| 542 | I | 30.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 177.2 Ų | 177.2 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | S | Bend | trans | 62.3 | 54.9 | -174.7 | -35.4 | -177.6 | 0 | 0 | 0 | 114.8 | ||
| 543 | N | 27.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 176.9 Ų | 176.9 | 84% | 0.84 | 85% | 0.845 | S | S | * | * | trans | -151.3 | 69.1 | 145.3 | -152.5 | -14.5 | 0 | 0 | 0 | 113.9 | ||||
| 544 | K | 27.8 | Very low | 31.5 | Very low | 203 Ų | 203 | 176.7 Ų | 176.7 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -147.9 | 96.6 | 165.5 | -95.1 | -170.3 | 175.6 | -179.6 | 0 | 110.4 | ||||
| 545 | N | 27.8 | Very low | 31.4 | Very low | 168 Ų | 168 | 174.7 Ų | 174.7 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | trans | -161 | 103.4 | 153.9 | -123.4 | -18.2 | 0 | 0 | 0 | 113.1 | ||||
| 546 | R | 29.8 | Very low | 31.4 | Very low | 226 Ų | 226 | 169.2 Ų | 169.2 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | 176.6 | 139.4 | 175.3 | -112 | -173.4 | 166.5 | -177.1 | -1.1 | 107.4 | ||||
| 547 | K | 30.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 163.5 Ų | 163.5 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | cis | -150.7 | 164.1 | 4 | -58.5 | 165.1 | -176.7 | 165.1 | 0 | 109.5 | ||||
| 548 | T | 26.5 | Very low | 31.5 | Very low | 147 Ų | 147 | 164.2 Ų | 164.2 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -146.3 | 172.6 | 143.9 | 15.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 549 | K | 31.8 | Very low | 31.5 | Very low | 180 Ų | 180 | 160.4 Ų | 160.4 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -156 | -177.3 | -165.6 | -132.4 | -154.7 | 167.5 | -161.4 | 0 | 110.5 | ||||
| 550 | P | 44 | Very low | 31.4 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | cis | -131.7 | -89.5 | 44.1 | 25.3 | 3.6 | 0 | 0 | 0 | 121.5 | ||||
| 551 | P | 54.4 | Low | 31.3 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | trans | -152.8 | 166.1 | -147 | 44.6 | -22.4 | 0 | 0 | 0 | 122.5 | ||||
| 552 | T | 28.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -152.1 | 152.7 | 145.5 | 1.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 553 | K | 29.9 | Very low | 31.4 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -26.8 | 136 | 180 | -67.5 | 163.6 | -176.9 | 176.1 | 0 | 119.9 | ||||
| 554 | K | 30.5 | Very low | 31.5 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | 63.1 | 132.7 | 92.7 | -62.9 | -174.1 | 173.7 | -173.5 | 0 | 114.3 | |||||
| 555 | T | 28 | Very low | 31.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | -143.5 | 167 | 44.2 | 36.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 556 | A | 32.2 | Very low | 31.6 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | cis | 77.3 | 131.2 | 40.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 557 | A | 30.8 | Very low | 32.8 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | -169.1 | 170.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 558 | K | 31.4 | Very low | 32.8 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 74 | 125.1 | 140.6 | -89.5 | -177.1 | 179.1 | -176.1 | 0 | 124.8 | ||||
| 559 | T | 30 | Very low | 33 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 58.7 | 156.8 | 135.9 | 54 | 0 | 0 | 0 | 0 | 122 | ||||
| 560 | A | 30.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | cis | -171.3 | 164.8 | -21.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 561 | G | 28 | Very low | 32.4 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 176.5 | 158 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 562 | K | 30.9 | Very low | 31.3 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -137.3 | 154.3 | -174.6 | -85.7 | -175.8 | 176.7 | 176.5 | 0 | 113.9 | ||||
| 563 | A | 29.8 | Very low | 31.6 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 80.7 | 119.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 564 | K | 30.4 | Very low | 31.7 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | 26.2 | 128.4 | 128.8 | -57.4 | 179.7 | 178.3 | -177.8 | 0 | 119.3 | |||||
| 565 | A | 27.7 | Very low | 31.7 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | -178 | 164.2 | 112 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 566 | K | 29.5 | Very low | 31.7 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -137.3 | 172.3 | 171.4 | -103.5 | -173.3 | 178.2 | -177.6 | 0 | 106.1 | ||||
| 567 | P | 54.5 | Low | 31.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | cis | -139.2 | -159 | -26.7 | 36 | -14.1 | 0 | 0 | 0 | 112.8 | ||||
| 568 | K | 30.1 | Very low | 31.5 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 89.7 | 133.8 | 162.1 | -70.3 | -173.7 | 173.2 | -175.2 | 0 | 120.6 | ||||
| 569 | A | 30 | Very low | 31.4 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -149.1 | 171.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 570 | T | 31.5 | Very low | 31.3 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -134.1 | 178.5 | -153.2 | -41.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 571 | Q | 32.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 159.8 | -168.4 | -50.2 | 154.7 | -65 | 0 | 0 | 116.2 | ||||
| 572 | T | 30.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -159.6 | 133.5 | 140 | 22.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 573 | A | 35.4 | Very low | 31.1 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 76.7 | 134.8 | 70.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 574 | T | 32 | Very low | 31.1 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | cis | -159.3 | -170.4 | 5.3 | -4.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 575 | D | 30.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 77.3 | 145.4 | 165.4 | -51.2 | -28.4 | 0 | 0 | 0 | 119.8 | ||||
| 576 | G | 28.6 | Very low | 31.4 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | -179.5 | 114.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 577 | L | 30.7 | Very low | 31.5 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 63.3 | 150 | 148.6 | -70.9 | 167.4 | 0 | 0 | 0 | 124.9 | ||||
| 578 | N | 28.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 67.9 | 144.1 | 162.8 | -63.7 | -27.9 | 0 | 0 | 0 | 120.7 | ||||
| 579 | G | 28 | Very low | 30.4 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 150.1 | 121 | -19.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 580 | K | 29.2 | Very low | 30.3 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 66.5 | 164.6 | 163.4 | -67.2 | 173.3 | -176.1 | 169.8 | 0 | 117.4 | ||||
| 581 | K | 27.8 | Very low | 30.3 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | cis | -171.3 | 137.6 | -41.8 | -150.8 | -178.9 | -170.4 | -173.4 | 0 | 109.8 | ||||
| 582 | S | 27.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 55.3 | 127.4 | 148.6 | 165.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 583 | Q | 29 | Very low | 30 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | -171.5 | 130.1 | 118.4 | -102.1 | -167.2 | 63.8 | 0 | 0 | 111.2 | |||||
| 584 | R | 30.2 | Very low | 29.9 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 73% | 0.725 | 79% | 0.787 | S | S | * | * | 79.1 | 158.8 | 110.6 | -83.7 | -160.4 | 164.6 | 135.2 | -12 | 118 | |||||
| 585 | E | 33.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 59% | 0.589 | 79% | 0.793 | S | S | * | * | cis | -170 | 140.8 | -35.5 | -124.2 | -172.3 | 119.8 | 0 | 0 | 108.1 | ||||
| 586 | N | 29.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 169 | 128.7 | 144.7 | -90.1 | -28.5 | 0 | 0 | 0 | 109.2 | ||||
| 587 | K | 32.9 | Very low | 30.7 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | cis | 103.4 | 100 | 13 | -169.6 | -171.9 | 178.1 | -175.5 | 0 | 114.7 | T589 | K587-T589 HydrophobicContact CG-CG2 4.2Š| ||
| 588 | I | 29.2 | Very low | 30.7 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 154.4 | 150.1 | -80.7 | -179.9 | 0 | 0 | 0 | 107.1 | ||||
| 589 | T | 31.8 | Very low | 30.8 | Very low | 112 Ų | 112 | 156 Ų | 156 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -139.9 | 150.1 | -162.3 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | K587 | K587-T589 HydrophobicContact CG-CG2 4.2Š| ||
| 590 | S | 27.5 | Very low | 30.6 | Very low | 119 Ų | 119 | 156 Ų | 156 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -144.6 | 154.4 | 141.8 | 71.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 591 | K | 32.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -160 | 141.2 | 179.1 | -96.8 | -169.3 | 176.2 | -176 | 0 | 108.7 | ||||
| 592 | R | 29 | Very low | 31.9 | Very low | 253 Ų | 253 | 149.2 Ų | 149.2 | 96% | 0.955 | 78% | 0.784 | S | S | * | * | trans | -177 | 143.4 | 130.1 | -111 | 174.8 | 171.6 | 173.8 | -2.5 | 113.6 | ||||
| 593 | S | 26.8 | Very low | 32 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -159.9 | 156.1 | 155.4 | 55 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 594 | N | 33.9 | Very low | 32 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 65.9 | 146.8 | 169.9 | -60.1 | 7.1 | 0 | 0 | 0 | 118.8 | ||||
| 595 | P | 50.3 | Low | 31.9 | Very low | 137 Ų | 137 | 148 Ų | 148 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | -127.1 | -168.3 | 102.5 | 39.3 | -32.9 | 0 | 0 | 0 | 115.3 | |||||
| 596 | R | 30.9 | Very low | 31.7 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -101.1 | 157.4 | -166.3 | -85 | 173.3 | 160.5 | 175.6 | -6.2 | 115.7 | ||||
| 597 | M | 26.6 | Very low | 31.7 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -151.6 | 139.6 | 132.1 | -80 | -162.5 | 176.6 | 0 | 0 | 107.1 | ||||
| 598 | T | 31.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | 64.7 | 127.2 | 56.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 599 | T | 28.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 152 Ų | 152 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | cis | -142.2 | -179.9 | 20.1 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 600 | G | 25 | Very low | 31.6 | Very low | 65 Ų | 65 | 157.4 Ų | 157.4 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -101.1 | -153.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 601 | P | 53.8 | Low | 31.5 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | cis | -142.6 | -166 | 10.8 | 44.4 | -24.9 | 0 | 0 | 0 | 117.3 | ||||
| 602 | N | 30 | Very low | 31.3 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 76.8 | 146.8 | 156.1 | -73.2 | -9.2 | 0 | 0 | 0 | 121.2 | ||||
| 603 | V | 30.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 153 Ų | 153 | 65% | 0.648 | 80% | 0.799 | S | S | * | * | cis | -165.5 | 139.1 | -24 | 105.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 604 | K | 29.4 | Very low | 31.2 | Very low | 185 Ų | 185 | 156 Ų | 156 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 58 | 160.7 | 158.9 | -64.7 | 178.3 | -176.6 | 177.4 | 0 | 118.9 | ||||
| 605 | T | 28.1 | Very low | 30.9 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | cis | -155.3 | 165 | -3.4 | -1.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 606 | S | 29.3 | Very low | 29.9 | Very low | 90 Ų | 90 | 152.7 Ų | 152.7 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 11.9 | 143.2 | 136.9 | -161.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 607 | Q | 28.9 | Very low | 29.8 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | cis | -165.2 | -169.2 | 46.1 | -154.3 | 140.8 | -13.5 | 0 | 0 | 114.6 | ||||
| 608 | R | 33.2 | Very low | 29.9 | Very low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -100.7 | 148.2 | 174.1 | -70.7 | 169.5 | 161.4 | 170.5 | -6.6 | 112.5 | ||||
| 609 | E | 28.4 | Very low | 29.8 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -162.8 | 131.1 | 141.2 | -110.1 | 155.2 | -157.5 | 0 | 0 | 107.6 | ||||
| 610 | R | 28.9 | Very low | 29.8 | Very low | 227 Ų | 227 | 151 Ų | 151 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | 52.9 | 113.1 | 67.1 | -87.7 | -162.8 | -178.5 | -160.7 | 2.5 | 114.5 | |||||
| 611 | L | 25.5 | Very low | 30 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -131 | 153.2 | 157.1 | -101.6 | 166.8 | 0 | 0 | 0 | 109.3 | ||||
| 612 | V | 29.2 | Very low | 28.7 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -127.8 | 160.3 | -170.1 | 172.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 613 | F | 26.7 | Very low | 28.7 | Very low | 187 Ų | 187 | 157 Ų | 157 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | trans | -35.7 | 145.3 | 169.2 | -83.9 | -98.8 | 0 | 0 | 0 | 114.5 | ||||
| 614 | N | 26.5 | Very low | 28.6 | Very low | 168 Ų | 168 | 161.7 Ų | 161.7 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -137.8 | 159.9 | 143 | -131.2 | -21.4 | 0 | 0 | 0 | 110 | ||||
| 615 | N | 27.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | -140 | 158.9 | -156.3 | -162.9 | 5.3 | 0 | 0 | 0 | 114.1 | ||||
| 616 | A | 30.1 | Very low | 28.6 | Very low | 74 Ų | 74 | 161.3 Ų | 161.3 | 61% | 0.612 | 82% | 0.824 | S | S | * | * | trans | 69 | 123.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 617 | T | 27.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 165.3 Ų | 165.3 | 95% | 0.945 | 83% | 0.829 | S | S | * | * | -142.6 | 153 | 119.7 | 2.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 618 | K | 29.7 | Very low | 28.6 | Very low | 190 Ų | 190 | 161.7 Ų | 161.7 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -115.2 | 139.8 | -170.5 | -64.3 | 176.5 | -179.5 | 173.6 | 0 | 111.9 | ||||
| 619 | T | 28.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 158.5 Ų | 158.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -138.5 | 142.1 | 152.5 | 32.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 620 | N | 28.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 161 Ų | 161 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -87.9 | 136.2 | -168.2 | -66.3 | -71.7 | 0 | 0 | 0 | 113.1 | ||||
| 621 | V | 30.2 | Very low | 28 | Very low | 144 Ų | 144 | 156 Ų | 156 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -127.4 | 123.9 | 150.9 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 622 | K | 26.4 | Very low | 28.2 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -86.9 | 113.3 | -176.5 | -67.9 | 177.6 | 178.7 | 175.8 | 0 | 110.6 | K624 | K622-K624 PolarHBondContact O-N 2.9Š| ||
| 623 | S | 30.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -71.1 | 115 | 166 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | V625 | S623-V625 PolarHBondContact O-N 2.81Š| ||
| 624 | K | 27.8 | Very low | 28.3 | Very low | 205 Ų | 205 | 157.5 Ų | 157.5 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 104.4 | 171.7 | -89.6 | -175.9 | 173.1 | 178.6 | 0 | 109.6 | K622 Q626 | K622-K624 PolarHBondContact O-N 2.9Å; K624-Q626 PolarHBondContact O-N 2.66Å; K624-Q626 VanDerWaalsContact O-N 3.15Å | ||
| 625 | V | 31.4 | Very low | 28.4 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -72.6 | 101.6 | 165.1 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | S623 K627 | S623-V625 PolarHBondContact O-N 2.81Å; V625-K627 PolarHBondContact O-N 3.21Å; V625-K627 VanDerWaalsContact O-N 3.1Å | ||
| 626 | Q | 27.1 | Very low | 28.5 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -82.9 | 85.4 | 179.4 | -166.9 | 165 | -1.5 | 0 | 0 | 110.6 | K624 V628 | K624-Q626 PolarHBondContact O-N 2.66Å; K624-Q626 VanDerWaalsContact O-N 3.15Å; Q626-V628 PolarHBondContact O-N 2.98Å; Q626-V628 VanDerWaalsContact O-N 3.11Å | ||
| 627 | K | 28 | Very low | 28.5 | Very low | 173 Ų | 173 | 163.3 Ų | 163.3 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -61.4 | 110.2 | 167.4 | -77.9 | -174.6 | 175.8 | -178.8 | 0 | 109.5 | V625 H629 | V625-K627 PolarHBondContact O-N 3.21Å; V625-K627 VanDerWaalsContact O-N 3.1Å; K627-H629 PolarHBondContact O-N 2.76Å | ||
| 628 | V | 28.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 163.4 Ų | 163.4 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 107.3 | 167.6 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | Q626 W630 | Q626-V628 PolarHBondContact O-N 2.98Å; Q626-V628 VanDerWaalsContact O-N 3.11Å; V628-W630 PolarHBondContact O-N 3.33Å | ||
| 629 | H | 26.1 | Very low | 28.5 | Very low | 162 Ų | 162 | 159.5 Ų | 159.5 | 75% | 0.75 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 112.1 | 169.3 | -92.1 | -83.2 | 0 | 0 | 0 | 109.8 | K627 V631 | K627-H629 PolarHBondContact O-N 2.76Å; H629-V631 PolarHBondContact O-N 2.97Å | ||
| 630 | W | 25.6 | Very low | 28.4 | Very low | 238 Ų | 238 | 156.4 Ų | 156.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -73.3 | 107.9 | 161.9 | -87.2 | 89.9 | 0 | 0 | 0 | 109.5 | V628 | V628-W630 PolarHBondContact O-N 3.33Š| ||
| 631 | V | 27.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 156 Ų | 156 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | trans | -73.3 | 127.6 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | H629 S633 | H629-V631 PolarHBondContact O-N 2.97Å; V631-S633 PolarHBondContact O-N 2.95Å; V631-S633 VanDerWaalsContact O-N 3.14Å | ||
| 632 | R | 29 | Very low | 28.7 | Very low | 230 Ų | 230 | 160.8 Ų | 160.8 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -87.6 | 77.8 | -171.9 | -167.9 | -178.1 | -168.9 | 176.8 | 4.7 | 111.1 | K634 | R632-K634 PolarHBondContact O-N 3.45Š| ||
| 633 | S | 28.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | trans | -65.6 | 100.6 | 172.6 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | V631 H635 | V631-S633 PolarHBondContact O-N 2.95Å; V631-S633 VanDerWaalsContact O-N 3.14Å; S633-H635 PolarHBondContact O-N 3.46Å | ||
| 634 | K | 29.5 | Very low | 28.7 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -69.7 | 115.5 | 163.7 | -74.7 | -176.4 | 176.4 | -177.2 | 0 | 108.4 | R632 | R632-K634 PolarHBondContact O-N 3.45Š| ||
| 635 | H | 28.8 | Very low | 28.7 | Very low | 189 Ų | 189 | 159.1 Ų | 159.1 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | trans | -118.6 | 122.8 | 145 | -98.2 | -85.2 | 0 | 0 | 0 | 108.2 | S633 | S633-H635 PolarHBondContact O-N 3.46Š| ||
| 636 | T | 30.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -95.3 | 125.1 | 171.3 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 637 | E | 29.9 | Very low | 28.7 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | trans | -148.7 | 160.6 | 156.6 | -133.8 | 155.6 | -136.3 | 0 | 0 | 110.3 | ||||
| 638 | N | 27.6 | Very low | 28.7 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 83% | 0.834 | 85% | 0.848 | S | S | * | * | trans | -112.1 | 155.1 | -154.2 | -81.4 | -42.7 | 0 | 0 | 0 | 114.2 | ||||
| 639 | A | 29 | Very low | 28.8 | Very low | 109 Ų | 109 | 162.5 Ų | 162.5 | 90% | 0.901 | 86% | 0.859 | S | S | * | * | trans | 65.2 | 142 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 640 | G | 25.5 | Very low | 29 | Very low | 79 Ų | 79 | 162.5 Ų | 162.5 | 81% | 0.814 | 87% | 0.867 | S | S | * | * | trans | 162.1 | 77.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L642 | G640-L642 PolarHBondContact O-N 3.39Š| ||
| 641 | T | 34.2 | Very low | 29.3 | Very low | 140 Ų | 140 | 156.3 Ų | 156.3 | 86% | 0.859 | 86% | 0.864 | S | S | * | * | trans | -70.4 | 122.8 | 174.6 | 42.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 642 | L | 31.5 | Very low | 29.4 | Very low | 243 Ų | 243 | 159.3 Ų | 159.3 | 100% | 1.272 | 88% | 0.875 | S | S | * | * | -167 | 0 | 124.2 | -103.4 | 164.5 | 0 | 0 | 0 | 111.2 | G640 | G640-L642 PolarHBondContact O-N 3.39Š|
Retrieved 642 of 642 residues in 160 ms
(Link to these results)