| 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 | 32.2 | Very low | 32 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 100% | 1.025 | 70% | 0.698 | S | S | * | * | 0 | -84.8 | 0 | -72.3 | -52.9 | -167.6 | 0 | 0 | 112.6 | C3 Y4 | M1-C3 PolarHBondContact O-N 3.34Å; M1-Y4 PolarHBondContact O-N 3.49Å | |||
| 2 | Q | 24.5 | Very low | 31.9 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -58 | -40.8 | -168 | -81.2 | 167.7 | -40.6 | 0 | 0 | 115.5 | Y4 R5 V6 | Q2-Y4 VanDerWaalsContact C-N 3.25Å; Q2-Y4 PolarHBondContact O-N 2.94Å; Q2-R5 PolarHBondContact O-N 2.68Å; Q2-V6 PolarHBondContact O-N 3.01Å |
| 3 | C | 27.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.3 | -33.6 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 113.5 | M1 V6 L7 | M1-C3 PolarHBondContact O-N 3.34Å; C3-V6 PolarHBondContact O-N 3.34Å; C3-L7 PolarHBondContact O-N 2.82Å; C3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | Y | 30 | Very low | 32.1 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 176.7 | -90.3 | -91.9 | 0 | 0 | 0 | 112.4 | M1 Q2 V6 L7 F8 | M1-Y4 PolarHBondContact O-N 3.49Å; Q2-Y4 VanDerWaalsContact C-N 3.25Å; Q2-Y4 PolarHBondContact O-N 2.94Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.42Å; Y4-L7 PolarHBondContact O-N 2.65Å; Y4-F8 VanDerWaalsContact O-CB 3.24Å; Y4-F8 WeakPolarHBondContact O-CB 3.5Å; Y4-F8 PolarHBondContact O-N 2.65Å |
| 5 | R | 29.8 | Very low | 32 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 75% | 0.747 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.6 | -33.9 | 175.1 | -84.7 | -173.9 | 168.8 | 178.8 | -3.1 | 112.5 | Q2 F9 | Q2-R5 PolarHBondContact O-N 2.68Å; R5-F9 PolarHBondContact O-N 2.68Å |
| 6 | V | 35.1 | Very low | 31.9 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.2 | -42.8 | 177.4 | -178 | 0 | 0 | 0 | 0 | 111 | Q2 C3 Y4 F8 F9 A10 | Q2-V6 PolarHBondContact O-N 3.01Å; C3-V6 PolarHBondContact O-N 3.34Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.42Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F9 PolarHBondContact O-N 3.12Å; V6-A10 WeakPolarHBondContact O-CB 3.38Å; V6-A10 PolarHBondContact O-N 2.88Å |
| 7 | L | 34.6 | Very low | 31.8 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.9 | -43.7 | 172.4 | -117.4 | 75.7 | 0 | 0 | 0 | 111.7 | C3 Y4 A10 L11 | C3-L7 PolarHBondContact O-N 2.82Å; C3-L7 VanDerWaalsContact O-N 3.08Å; Y4-L7 PolarHBondContact O-N 2.65Å; L7-A10 PolarHBondContact O-N 3.24Å; L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 3.11Å |
| 8 | F | 34.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 61% | 0.614 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.5 | -47.1 | 178.1 | -168.1 | -98 | 0 | 0 | 0 | 111.8 | Y4 V6 A10 L11 C12 | Y4-F8 VanDerWaalsContact O-CB 3.24Å; Y4-F8 WeakPolarHBondContact O-CB 3.5Å; Y4-F8 PolarHBondContact O-N 2.65Å; V6-F8 VanDerWaalsContact C-N 3.35Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.43Å; F8-L11 PolarHBondContact O-N 2.93Å; F8-C12 WeakPolarHBondContact O-CB 3.18Å; F8-C12 PolarHBondContact O-N 3.13Å; F8-C12 PolarHBondContact O-SG 3.06Å |
| 9 | F | 34.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -34 | 175.5 | -103.4 | -85.5 | 0 | 0 | 0 | 113.6 | R5 V6 K13 | R5-F9 PolarHBondContact O-N 2.68Å; V6-F9 PolarHBondContact O-N 3.12Å; F9-K13 WeakPolarHBondContact O-CB 3.46Å; F9-K13 PolarHBondContact O-N 2.6Å; F9-K13 VanDerWaalsContact O-N 3.12Å |
| 10 | A | 36 | Very low | 31.1 | Very low | 57 Ų | 57 | 120.1 Ų | 120.1 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -46.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V6 L7 F8 K13 V14 | V6-A10 WeakPolarHBondContact O-CB 3.38Å; V6-A10 PolarHBondContact O-N 2.88Å; L7-A10 PolarHBondContact O-N 3.24Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.43Å; A10-K13 PolarHBondContact O-N 3.08Å; A10-V14 PolarHBondContact O-N 3.39Å; A10-V14 VanDerWaalsContact O-N 3.09Å |
| 11 | L | 33.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.5 | -48.7 | 178.7 | -144.5 | 77.5 | 0 | 0 | 0 | 111.3 | L7 F8 K13 V14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 3.11Å; F8-L11 PolarHBondContact O-N 2.93Å; L11-K13 PolarHBondContact O-N 3.31Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-V14 VanDerWaalsContact O-N 3.1Å; L11-L15 HydrophobicContact CD2-CD1 4.27Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.24Å |
| 12 | C | 30.6 | Very low | 30.8 | Very low | 52 Ų | 52 | 114.6 Ų | 114.6 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.8 | -30.7 | 176.1 | -68.2 | 0 | 0 | 0 | 0 | 112.7 | F8 S16 | F8-C12 WeakPolarHBondContact O-CB 3.18Å; F8-C12 PolarHBondContact O-N 3.13Å; F8-C12 PolarHBondContact O-SG 3.06Å; C12-S16 WeakPolarHBondContact O-CB 3.34Å; C12-S16 PolarHBondContact O-N 2.77Å |
| 13 | K | 31.1 | Very low | 31 | Very low | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78.7 | -26.6 | 176.9 | -161.4 | 162.7 | -172.3 | 170.2 | 0 | 113.4 | F9 A10 L11 | F9-K13 WeakPolarHBondContact O-CB 3.46Å; F9-K13 PolarHBondContact O-N 2.6Å; F9-K13 VanDerWaalsContact O-N 3.12Å; A10-K13 PolarHBondContact O-N 3.08Å; L11-K13 PolarHBondContact O-N 3.31Å |
| 14 | V | 35.4 | Very low | 30.8 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.2 | -41.5 | 168.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | A10 L11 | A10-V14 PolarHBondContact O-N 3.39Å; A10-V14 VanDerWaalsContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-V14 VanDerWaalsContact O-N 3.1Å |
| 15 | L | 30.7 | Very low | 30.8 | Very low | 46 Ų | 46 | 105.5 Ų | 105.5 | 24% | 0.241 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -75.3 | -36.4 | -178.2 | -66.9 | 164.7 | 0 | 0 | 0 | 113.2 | L11 N17 R18 A19 L315 | L11-L15 HydrophobicContact CD2-CD1 4.27Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.24Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 3Å; L15-R18 WeakPolarHBondContact O-CB 3.33Å; L15-R18 PolarHBondContact O-N 3.37Å; L15-R18 VanDerWaalsContact O-N 3.1Å; L15-A19 PolarHBondContact O-N 2.9Å; L15-L315 HydrophobicContact CD1-CD2 3.65Å; L15-L315 HydrophobicContact CD2-CD1 3.94Å; L15-L315 HydrophobicContact CD2-CD2 4.06Å; L15-L315 HydrophobicContact CG-CD2 4.47Å |
| 16 | S | 30.7 | Very low | 31 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.3 | -30.3 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | C12 R18 A19 | C12-S16 WeakPolarHBondContact O-CB 3.34Å; C12-S16 PolarHBondContact O-N 2.77Å; S16-R18 PolarHBondContact O-N 3.29Å; S16-A19 WeakPolarHBondContact O-CB 3.34Å; S16-A19 PolarHBondContact O-N 3.44Å |
| 17 | N | 30.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -16.8 | 171.9 | -77.8 | -1.2 | 0 | 0 | 0 | 113.6 | L15 | L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 3Å |
| 18 | R | 27.9 | Very low | 31.3 | Very low | 172 Ų | 172 | 97.6 Ų | 97.6 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -7.4 | 167.2 | -70.7 | -176.2 | 168.8 | -170.6 | -5.3 | 113.2 | L15 S16 | L15-R18 WeakPolarHBondContact O-CB 3.33Å; L15-R18 PolarHBondContact O-N 3.37Å; L15-R18 VanDerWaalsContact O-N 3.1Å; S16-R18 PolarHBondContact O-N 3.29Å |
| 19 | A | 27.1 | Very low | 31.7 | Very low | 30 Ų | 30 | 93.2 Ų | 93.2 | 25% | 0.248 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -54.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | L15 S16 A21 Y696 | L15-A19 PolarHBondContact O-N 2.9Å; S16-A19 WeakPolarHBondContact O-CB 3.34Å; S16-A19 PolarHBondContact O-N 3.44Å; A19-A21 PolarHBondContact O-N 3.48Å; A19-Y696 WeakPolarHBondContact CA-OH 3.48Å; A19-Y696 HydrophobicContact CB-CD1 3.84Å; A19-Y696 HydrophobicContact CB-CE1 3.13Å; A19-Y696 HydrophobicContact CB-CE2 4.45Å |
| 20 | G | 26.2 | Very low | 32.4 | Very low | 79 Ų | 79 | 92.5 Ų | 92.5 | 81% | 0.814 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -78.4 | 18.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 21 | A | 27.4 | Very low | 34 | Very low | 27 Ų | 27 | 93.6 Ų | 93.6 | 22% | 0.223 | 54% | 0.544 | C | S | . | . | trans | -132.3 | 38.9 | -150.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A19 S23 G24 | A19-A21 PolarHBondContact O-N 3.48Å; A21-S23 PolarHBondContact O-N 3.13Å; A21-G24 WeakPolarHBondContact O-CA 3.32Å; A21-G24 PolarHBondContact O-N 3.08Å | ||
| 22 | N | 29.1 | Very low | 36.4 | Very low | 186 Ų | 186 | 90.1 Ų | 90.1 | 100% | 0.995 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 13.8 | 163.1 | -98.8 | -10.8 | 0 | 0 | 0 | 113.9 | ||
| 23 | S | 28.1 | Very low | 39 | Very low | 118 Ų | 118 | 93.7 Ų | 93.7 | 83% | 0.825 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 9.3 | 166.5 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | A21 | A21-S23 PolarHBondContact O-N 3.13Š|
| 24 | G | 24.7 | Very low | 41.9 | Very low | 42 Ų | 42 | 88.9 Ų | 88.9 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | trans | -137.5 | 5.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | A21 M26 | A21-G24 WeakPolarHBondContact O-CA 3.32Å; A21-G24 PolarHBondContact O-N 3.08Å; G24-M26 PolarHBondContact O-N 3.3Å | ||
| 25 | D | 30.5 | Very low | 44.6 | Very low | 111 Ų | 111 | 88.6 Ų | 88.6 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 58.5 | 170.4 | -168 | 25.1 | 0 | 0 | 0 | 111.9 | ||
| 26 | M | 33.8 | Very low | 47.6 | Very low | 129 Ų | 129 | 90.7 Ų | 90.7 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -27.2 | 177.9 | -78.2 | -74.3 | -70.3 | 0 | 0 | 112.4 | G24 A28 L29 E30 | G24-M26 PolarHBondContact O-N 3.3Å; M26-A28 PolarHBondContact O-N 2.8Å; M26-L29 CarbonylContact O-C 3.56Å; M26-L29 WeakPolarHBondContact O-CA 3.23Å; M26-L29 PolarHBondContact O-N 3.02Å; M26-E30 PolarHBondContact O-N 2.93Å |
| 27 | S | 35.7 | Very low | 50.7 | Low | 82 Ų | 82 | 88 Ų | 88 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.8 | -172.5 | 52.7 | 0 | 0 | 0 | 0 | 114 | L29 | S27-L29 VanDerWaalsContact C-N 3.26Š|
| 28 | A | 38.6 | Very low | 53.7 | Low | 52 Ų | 52 | 87 Ų | 87 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M26 | M26-A28 PolarHBondContact O-N 2.8Š|
| 29 | L | 43.3 | Very low | 56.9 | Low | 48 Ų | 48 | 83.6 Ų | 83.6 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -3.7 | -178.3 | -74.8 | 163.5 | 0 | 0 | 0 | 113.8 | M26 S27 N31 V32 R102 | M26-L29 CarbonylContact O-C 3.56Å; M26-L29 WeakPolarHBondContact O-CA 3.23Å; M26-L29 PolarHBondContact O-N 3.02Å; S27-L29 VanDerWaalsContact C-N 3.26Å; L29-N31 PolarHBondContact O-N 2.77Å; L29-V32 HydrophobicContact CB-CG2 4.5Å; L29-V32 HydrophobicContact CD2-CG2 3.58Å; L29-V32 PolarHBondContact O-N 3.25Å; L29-R102 HydrophobicContact CD1-CG 4Å; L29-R102 HydrophobicContact CD2-CG 3.95Å |
| 30 | E | 49.8 | Very low | 60.2 | Low | 145 Ų | 145 | 82.2 Ų | 82.2 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -9.9 | -178.4 | -90.4 | 178.4 | -168.2 | 0 | 0 | 114.5 | M26 | M26-E30 PolarHBondContact O-N 2.93Š|
| 31 | N | 70.5 | Confident | 63.5 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 44.8 | 173.6 | -85.8 | -88.9 | 0 | 0 | 0 | 114 | L29 R33 G56 | L29-N31 PolarHBondContact O-N 2.77Å; N31-R33 PolarHBondContact O-N 3Å; N31-R33 VanDerWaalsContact O-N 3.1Å; N31-G56 WeakPolarHBondContact O-CA 3.32Å; N31-G56 PolarHBondContact O-N 3.34Å |
| 32 | V | 82.3 | Confident | 66.7 | Low | 41 Ų | 41 | 82 Ų | 82 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 114.5 | 160.6 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | L29 C53 L101 | L29-V32 HydrophobicContact CB-CG2 4.5Å; L29-V32 HydrophobicContact CD2-CG2 3.58Å; L29-V32 PolarHBondContact O-N 3.25Å; V32-C53 HydrophobicContact CG1-CB 4.41Å; V32-L101 HydrophobicContact CG1-CD2 3.88Å; V32-L101 HydrophobicContact CG2-CD2 4.2Å |
| 33 | R | 86.9 | Confident | 69.7 | Low | 126 Ų | 126 | 75.7 Ų | 75.7 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.1 | 175 | -67.3 | -169.3 | 178.9 | 178.9 | 4.8 | 109.2 | N31 F35 C53 H54 | N31-R33 PolarHBondContact O-N 3Å; N31-R33 VanDerWaalsContact O-N 3.1Å; R33-F35 HydrophobicContact CB-CE2 3.81Å; R33-F35 HydrophobicContact CB-CZ 4.29Å; R33-C53 CarbonylContact O-C 3.56Å; R33-C53 WeakPolarHBondContact O-CA 3.43Å; R33-C53 VanDerWaalsContact O-CB 3.26Å; R33-C53 WeakPolarHBondContact O-CB 3.47Å; R33-H54 PolarHBondContact N-O 3.38Å; R33-H54 PolarHBondContact O-N 2.91Å |
| 34 | L | 90.6 | Very high | 72.7 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 29% | 0.293 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 127.7 | -167.6 | -176.6 | 153 | 0 | 0 | 0 | 110.1 | L51 Y52 C53 E94 A97 | L34-L51 HydrophobicContact CD1-CD2 4.09Å; L34-L51 HydrophobicContact CD2-CD1 3.74Å; L34-L51 HydrophobicContact CD2-CD2 4.06Å; L34-L51 HydrophobicContact CD2-CG 4.08Å; L34-L51 HydrophobicContact CG-CD1 4.37Å; L34-L51 HydrophobicContact CG-CD2 4.1Å; L34-L51 HydrophobicContact CG-CG 4.18Å; L34-Y52 CarbonylContact C-O 3.56Å; L34-Y52 WeakPolarHBondContact CA-O 3.44Å; L34-C53 HydrophobicContact CB-CB 3.96Å; L34-C53 HydrophobicContact CD1-CB 4.14Å; L34-C53 HydrophobicContact CG-CB 4.05Å; L34-E94 HydrophobicContact CD1-CB 4.16Å; L34-E94 HydrophobicContact CD2-CB 4.31Å; L34-E94 HydrophobicContact CD2-CG 3.94Å; L34-A97 HydrophobicContact CD1-CB 4.3Å |
| 35 | F | 92.9 | Very high | 76 | Confident | 88 Ų | 88 | 78 Ų | 78 | 39% | 0.386 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.5 | -169 | -54.8 | -90.5 | 0 | 0 | 0 | 111.3 | R33 L51 Y52 | R33-F35 HydrophobicContact CB-CE2 3.81Å; R33-F35 HydrophobicContact CB-CZ 4.29Å; F35-L51 CarbonylContact O-C 3.52Å; F35-L51 WeakPolarHBondContact O-CA 3.39Å; F35-L51 WeakPolarHBondContact O-CD1 3.26Å; F35-Y52 HydrophobicContact CB-CD1 3.92Å; F35-Y52 HydrophobicContact CB-CE1 3.57Å; F35-Y52 HydrophobicContact CB-CE2 4.35Å; F35-Y52 HydrophobicContact CB-CG 4.44Å; F35-Y52 AromaticContact CD2-CD2 3.95Å; F35-Y52 HydrophobicContact CD2-CD2 3.95Å; F35-Y52 HydrophobicContact CD2-CE1 4.05Å; F35-Y52 AromaticContact CD2-CE2 3.3Å; F35-Y52 HydrophobicContact CD2-CE2 3.3Å; F35-Y52 AromaticContact CD2-CZ 3.36Å; F35-Y52 AromaticContact CE2-CE2 3.83Å; F35-Y52 HydrophobicContact CE2-CE2 3.83Å; F35-Y52 HydrophobicContact CG-CE1 4.04Å; F35-Y52 HydrophobicContact CG-CE2 4.13Å; F35-Y52 AromaticContact CG-CZ 3.73Å; F35-Y52 PolarHBondContact N-O 2.77Å; F35-Y52 PolarHBondContact O-N 2.94Å |
| 36 | R | 94.5 | Very high | 79.1 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.8 | 171.8 | -68.9 | -178.4 | -167.3 | 178.2 | 8.5 | 111 | L51 Y75 E94 | R36-L51 HydrophobicContact CB-CD1 4.47Å; R36-L51 HydrophobicContact CG-CD1 3.42Å; R36-L51 VanDerWaalsContact CG-CD1 3.42Å; R36-Y75 HydrophobicContact CG-CE1 4.09Å; R36-Y75 VanDerWaalsContact CZ-CG 3.41Å; R36-E94 IonicContact CZ-OE1 2.85Å; R36-E94 IonicContact NE-OE1 2.74Å; R36-E94 IonicContact NH2-OE1 2.85Å; R36-E94 PolarHBondContact NH2-OE1 3.11Å |
| 37 | L | 94 | Very high | 82.1 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 108.3 | 164.3 | -61.4 | 176.5 | 0 | 0 | 0 | 107.7 | V40 D49 I50 Y52 A156 Q159 | L37-V40 HydrophobicContact CB-CG2 3.5Å; L37-V40 HydrophobicContact CD1-CG2 4.43Å; L37-D49 WeakPolarHBondContact O-CA 3.27Å; L37-I50 PolarHBondContact N-O 2.59Å; L37-I50 PolarHBondContact O-N 3.05Å; L37-Y52 HydrophobicContact CD1-CD1 3.96Å; L37-Y52 HydrophobicContact CD1-CE1 4.21Å; L37-Y52 HydrophobicContact CD2-CE1 4.36Å; L37-Y52 HydrophobicContact CG-CD1 4.02Å; L37-Y52 HydrophobicContact CG-CE1 4.16Å; L37-A156 HydrophobicContact CD1-CB 4.2Å; L37-Q159 HydrophobicContact CD1-CB 4.03Å; L37-Q159 HydrophobicContact CD2-CB 4Å |
| 38 | N | 94.1 | Very high | 85.1 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.2 | -177.5 | -56.8 | -25.1 | 0 | 0 | 0 | 110.5 | V40 D49 | N38-V40 VanDerWaalsContact C-N 3.35Å; N38-V40 PolarHBondContact O-N 3.46Å; N38-D49 VanDerWaalsContact CA-OD1 3.25Å; N38-D49 WeakPolarHBondContact CA-OD1 3.26Å |
| 39 | N | 94.3 | Very high | 87.9 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 45.2 | -179.5 | -85.5 | -75 | 0 | 0 | 0 | 114.3 | H41 R47 D49 | N39-H41 PolarHBondContact O-N 2.67Å; N39-R47 HydrophobicContact CB-CB 4.43Å; N39-R47 WeakPolarHBondContact O-CD 3.49Å; N39-R47 VanDerWaalsContact OD1-CB 3.25Å; N39-R47 WeakPolarHBondContact OD1-CB 3.34Å; N39-D49 PolarHBondContact N-OD1 3.13Å |
| 40 | V | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 131.6 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | L37 N38 G42 R47 N48 I50 L152 N155 A156 | L37-V40 HydrophobicContact CB-CG2 3.5Å; L37-V40 HydrophobicContact CD1-CG2 4.43Å; N38-V40 VanDerWaalsContact C-N 3.35Å; N38-V40 PolarHBondContact O-N 3.46Å; V40-G42 PolarHBondContact O-N 3.44Å; V40-R47 WeakPolarHBondContact O-CA 3.22Å; V40-N48 WeakPolarHBondContact CB-O 3.18Å; V40-N48 PolarHBondContact N-O 3.44Å; V40-N48 PolarHBondContact O-N 3.2Å; V40-I50 HydrophobicContact CB-CD1 4.14Å; V40-I50 HydrophobicContact CB-CG1 4.44Å; V40-I50 HydrophobicContact CG1-CD1 4.13Å; V40-I50 HydrophobicContact CG2-CB 4.29Å; V40-I50 HydrophobicContact CG2-CD1 4.03Å; V40-I50 HydrophobicContact CG2-CG1 4.12Å; V40-L152 HydrophobicContact CG1-CD1 4.41Å; V40-L152 HydrophobicContact CG1-CG 4.25Å; V40-N155 HydrophobicContact CG1-CB 3.96Å; V40-A156 HydrophobicContact CG1-CB 4.29Å |
| 41 | H | 95.7 | Very high | 92.6 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.4 | 179.1 | -79.6 | -150 | 0 | 0 | 0 | 110.5 | N39 R47 N155 | N39-H41 PolarHBondContact O-N 2.67Å; H41-R47 PolarHBondContact CD2-NE 2.69Å; H41-R47 PolarHBondContact CE1-NH2 3.09Å; H41-R47 PolarHBondContact ND1-NH2 3.23Å; H41-R47 PolarHBondContact NE2-NE 3.13Å; H41-R47 PolarHBondContact NE2-NH2 3.37Å; H41-R47 VanDerWaalsContact NE2-NH2 3.15Å; H41-N155 WeakPolarHBondContact CB-ND2 3.19Å; H41-N155 PolarHBondContact O-ND2 2.82Å |
| 42 | G | 94.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | trans | -120.5 | -166.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V40 G44 R46 | V40-G42 PolarHBondContact O-N 3.44Å; G42-G44 PolarHBondContact O-N 2.69Å; G42-G44 VanDerWaalsContact O-N 3.12Å; G42-R46 PolarHBondContact N-O 3.44Å; G42-R46 VanDerWaalsContact N-O 3.11Å | ||
| 43 | N | 93 | Very high | 94.1 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -45.4 | 116.5 | 177.9 | -178.4 | 9.8 | 0 | 0 | 0 | 113.1 | R46 G144 K147 H148 | N43-R46 WeakPolarHBondContact O-CB 3.48Å; N43-R46 WeakPolarHBondContact O-CG 3.41Å; N43-R46 PolarHBondContact O-N 2.94Å; N43-G144 PolarHBondContact ND2-O 3.25Å; N43-G144 VanDerWaalsContact ND2-O 3.14Å; N43-K147 HydrophobicContact CB-CB 4.32Å; N43-H148 VanDerWaalsContact CB-CA 3.49Å; N43-H148 HydrophobicContact CB-CB 3.87Å; N43-H148 PolarHBondContact N-ND1 3.01Å |
| 44 | G | 91.5 | Very high | 94.3 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -128.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G42 R46 R47 | G42-G44 PolarHBondContact O-N 2.69Å; G42-G44 VanDerWaalsContact O-N 3.12Å; G44-R46 VanDerWaalsContact C-N 3.28Å; G44-R46 PolarHBondContact O-N 2.54Å; G44-R47 PolarHBondContact O-NH1 3.25Å |
| 45 | N | 93 | Very high | 94.2 | Very high | 158 Ų | 158 | 47.4 Ų | 47.4 | 85% | 0.845 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.4 | -175.2 | -61.9 | 2.8 | 0 | 0 | 0 | 113.2 | ||
| 46 | R | 96.5 | Very high | 93.4 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | trans | -77.5 | 142 | -175.4 | -58.8 | -177.4 | -167.3 | 171.4 | 11 | 111.3 | G42 N43 G44 N127 Y143 H148 | G42-R46 PolarHBondContact N-O 3.44Å; G42-R46 VanDerWaalsContact N-O 3.11Å; N43-R46 WeakPolarHBondContact O-CB 3.48Å; N43-R46 WeakPolarHBondContact O-CG 3.41Å; N43-R46 PolarHBondContact O-N 2.94Å; G44-R46 VanDerWaalsContact C-N 3.28Å; G44-R46 PolarHBondContact O-N 2.54Å; R46-N127 HydrophobicContact CB-CB 4.11Å; R46-N127 VanDerWaalsContact CD-O 3.3Å; R46-N127 WeakPolarHBondContact CD-O 3.48Å; R46-N127 HydrophobicContact CG-CB 4.38Å; R46-N127 PolarHBondContact NH1-O 3.21Å; R46-Y143 VanDerWaalsContact CZ-O 3.31Å; R46-Y143 PolarHBondContact NH1-O 3.03Å; R46-Y143 PolarHBondContact NH2-O 2.92Å; R46-H148 WeakPolarHBondContact CB-CE1 3.2Å | ||
| 47 | R | 97 | Very high | 92.6 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.3 | -173.7 | -60.8 | -66.9 | 177 | -87.4 | 1.3 | 111 | N39 V40 H41 G44 N127 | N39-R47 HydrophobicContact CB-CB 4.43Å; N39-R47 WeakPolarHBondContact O-CD 3.49Å; N39-R47 VanDerWaalsContact OD1-CB 3.25Å; N39-R47 WeakPolarHBondContact OD1-CB 3.34Å; V40-R47 WeakPolarHBondContact O-CA 3.22Å; H41-R47 PolarHBondContact CD2-NE 2.69Å; H41-R47 PolarHBondContact CE1-NH2 3.09Å; H41-R47 PolarHBondContact ND1-NH2 3.23Å; H41-R47 PolarHBondContact NE2-NE 3.13Å; H41-R47 PolarHBondContact NE2-NH2 3.37Å; H41-R47 VanDerWaalsContact NE2-NH2 3.15Å; G44-R47 PolarHBondContact O-NH1 3.25Å; R47-N127 PolarHBondContact N-ND2 3.36Å; R47-N127 PolarHBondContact O-ND2 3.43Å |
| 48 | N | 97.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.5 | 171.8 | -77.1 | 68.1 | 0 | 0 | 0 | 109.9 | V40 V112 K113 N127 H148 L152 | V40-N48 WeakPolarHBondContact CB-O 3.18Å; V40-N48 PolarHBondContact N-O 3.44Å; V40-N48 PolarHBondContact O-N 3.2Å; N48-V112 HydrophobicContact CB-CG1 4.11Å; N48-K113 PolarHBondContact ND2-O 3.2Å; N48-N127 WeakPolarHBondContact OD1-CB 3.37Å; N48-N127 PolarHBondContact OD1-ND2 2.96Å; N48-H148 PolarHBondContact OD1-NE2 2.97Å; N48-L152 HydrophobicContact CB-CD1 4.23Å; N48-L152 HydrophobicContact CB-CD2 4.07Å |
| 49 | D | 96.9 | Very high | 90.6 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 140.4 | 165.8 | -52.1 | -40.7 | 0 | 0 | 0 | 109 | L37 N38 N39 Y75 K113 | L37-D49 WeakPolarHBondContact O-CA 3.27Å; N38-D49 VanDerWaalsContact CA-OD1 3.25Å; N38-D49 WeakPolarHBondContact CA-OD1 3.26Å; N39-D49 PolarHBondContact N-OD1 3.13Å; D49-Y75 WeakPolarHBondContact CB-OH 3.44Å; D49-K113 HydrophobicContact CB-CB 4.14Å; D49-K113 HydrophobicContact CB-CD 4.09Å; D49-K113 VanDerWaalsContact O-CB 3.31Å; D49-K113 WeakPolarHBondContact O-CB 3.46Å; D49-K113 PolarHBondContact O-N 3.44Å |
| 50 | I | 96.9 | Very high | 90 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.6 | 176.6 | -63.2 | 179 | 0 | 0 | 0 | 108.6 | L37 V40 F110 V111 V112 L152 A156 | L37-I50 PolarHBondContact N-O 2.59Å; L37-I50 PolarHBondContact O-N 3.05Å; V40-I50 HydrophobicContact CB-CD1 4.14Å; V40-I50 HydrophobicContact CB-CG1 4.44Å; V40-I50 HydrophobicContact CG1-CD1 4.13Å; V40-I50 HydrophobicContact CG2-CB 4.29Å; V40-I50 HydrophobicContact CG2-CD1 4.03Å; V40-I50 HydrophobicContact CG2-CG1 4.12Å; I50-F110 HydrophobicContact CG2-CB 4.01Å; I50-F110 HydrophobicContact CG2-CD1 4.31Å; I50-F110 HydrophobicContact CG2-CD2 4.48Å; I50-F110 HydrophobicContact CG2-CG 4.03Å; I50-V111 WeakPolarHBondContact CA-O 3.22Å; I50-V112 HydrophobicContact CG1-CG2 4.42Å; I50-L152 HydrophobicContact CD1-CD2 3.73Å; I50-L152 HydrophobicContact CD1-CG 3.9Å; I50-L152 HydrophobicContact CG1-CD2 4.17Å; I50-A156 HydrophobicContact CD1-CB 3.74Å |
| 51 | L | 95.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.3 | 158.3 | -158.7 | 73.9 | 0 | 0 | 0 | 107.5 | L34 F35 R36 Y75 L93 E94 A97 F110 V111 | L34-L51 HydrophobicContact CD1-CD2 4.09Å; L34-L51 HydrophobicContact CD2-CD1 3.74Å; L34-L51 HydrophobicContact CD2-CD2 4.06Å; L34-L51 HydrophobicContact CD2-CG 4.08Å; L34-L51 HydrophobicContact CG-CD1 4.37Å; L34-L51 HydrophobicContact CG-CD2 4.1Å; L34-L51 HydrophobicContact CG-CG 4.18Å; F35-L51 CarbonylContact O-C 3.52Å; F35-L51 WeakPolarHBondContact O-CA 3.39Å; F35-L51 WeakPolarHBondContact O-CD1 3.26Å; R36-L51 HydrophobicContact CB-CD1 4.47Å; R36-L51 HydrophobicContact CG-CD1 3.42Å; R36-L51 VanDerWaalsContact CG-CD1 3.42Å; L51-Y75 HydrophobicContact CD1-CE1 4.26Å; L51-L93 HydrophobicContact CD2-CB 4.46Å; L51-L93 WeakPolarHBondContact CD2-O 3.44Å; L51-E94 HydrophobicContact CD1-CG 4.3Å; L51-E94 HydrophobicContact CD2-CB 4.36Å; L51-E94 HydrophobicContact CD2-CG 3.93Å; L51-A97 HydrophobicContact CD2-CB 3.91Å; L51-F110 CarbonylContact O-C 3.58Å; L51-F110 WeakPolarHBondContact O-CA 3.41Å; L51-V111 HydrophobicContact CB-CB 4.01Å; L51-V111 HydrophobicContact CB-CG2 4.49Å; L51-V111 PolarHBondContact N-O 2.85Å; L51-V111 PolarHBondContact O-N 3.17Å |
| 52 | Y | 93.5 | Very high | 89.3 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.3 | 165.1 | 81.7 | -97.6 | 0 | 0 | 0 | 111.1 | L34 F35 L37 L108 L109 F110 F162 | L34-Y52 CarbonylContact C-O 3.56Å; L34-Y52 WeakPolarHBondContact CA-O 3.44Å; F35-Y52 HydrophobicContact CB-CD1 3.92Å; F35-Y52 HydrophobicContact CB-CE1 3.57Å; F35-Y52 HydrophobicContact CB-CE2 4.35Å; F35-Y52 HydrophobicContact CB-CG 4.44Å; F35-Y52 AromaticContact CD2-CD2 3.95Å; F35-Y52 HydrophobicContact CD2-CD2 3.95Å; F35-Y52 HydrophobicContact CD2-CE1 4.05Å; F35-Y52 AromaticContact CD2-CE2 3.3Å; F35-Y52 HydrophobicContact CD2-CE2 3.3Å; F35-Y52 AromaticContact CD2-CZ 3.36Å; F35-Y52 AromaticContact CE2-CE2 3.83Å; F35-Y52 HydrophobicContact CE2-CE2 3.83Å; F35-Y52 HydrophobicContact CG-CE1 4.04Å; F35-Y52 HydrophobicContact CG-CE2 4.13Å; F35-Y52 AromaticContact CG-CZ 3.73Å; F35-Y52 PolarHBondContact N-O 2.77Å; F35-Y52 PolarHBondContact O-N 2.94Å; L37-Y52 HydrophobicContact CD1-CD1 3.96Å; L37-Y52 HydrophobicContact CD1-CE1 4.21Å; L37-Y52 HydrophobicContact CD2-CE1 4.36Å; L37-Y52 HydrophobicContact CG-CD1 4.02Å; L37-Y52 HydrophobicContact CG-CE1 4.16Å; Y52-L108 HydrophobicContact CD2-CD1 3.94Å; Y52-L109 CarbonylContact C-O 3.52Å; Y52-L109 VanDerWaalsContact CA-O 3.26Å; Y52-L109 WeakPolarHBondContact CA-O 3.49Å; Y52-F110 VanDerWaalsContact CB-CD1 3.43Å; Y52-F110 HydrophobicContact CG-CE1 4.29Å; Y52-F162 HydrophobicContact CD2-CE2 4.05Å; Y52-F162 AromaticContact CE2-CE2 3.59Å; Y52-F162 HydrophobicContact CE2-CE2 3.59Å; Y52-F162 AromaticContact CE2-CZ 3.94Å; Y52-F162 HydrophobicContact CE2-CZ 3.94Å |
| 53 | C | 92 | Very high | 89.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.9 | 170.2 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | V32 R33 L34 L109 | V32-C53 HydrophobicContact CG1-CB 4.41Å; R33-C53 CarbonylContact O-C 3.56Å; R33-C53 WeakPolarHBondContact O-CA 3.43Å; R33-C53 VanDerWaalsContact O-CB 3.26Å; R33-C53 WeakPolarHBondContact O-CB 3.47Å; L34-C53 HydrophobicContact CB-CB 3.96Å; L34-C53 HydrophobicContact CD1-CB 4.14Å; L34-C53 HydrophobicContact CG-CB 4.05Å; C53-L109 PolarHBondContact N-O 3.08Å; C53-L109 PolarHBondContact O-N 3.27Å |
| 54 | H | 90.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 162.7 | 172.7 | 70.4 | 100.1 | 0 | 0 | 0 | 110.3 | R33 F61 L108 F162 | R33-H54 PolarHBondContact N-O 3.38Å; R33-H54 PolarHBondContact O-N 2.91Å; H54-F61 HydrophobicContact CB-CD1 4.45Å; H54-F61 HydrophobicContact CB-CE1 3.51Å; H54-F61 HydrophobicContact CB-CZ 3.79Å; H54-F61 AromaticContact CG-CE1 3.78Å; H54-F61 AromaticContact CG-CZ 3.7Å; H54-F61 AromaticContact ND1-CE1 3.78Å; H54-F61 AromaticContact ND1-CZ 3.79Å; H54-L108 HydrophobicContact CB-CD1 4.32Å; H54-F162 AromaticContact CD2-CZ 3.92Å; H54-F162 AromaticContact NE2-CZ 3.9Å |
| 55 | S | 86.7 | Confident | 89.5 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.3 | 171.4 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | H57 V58 P105 | S55-H57 PolarHBondContact O-N 3.03Å; S55-H57 VanDerWaalsContact O-N 3.09Å; S55-V58 WeakPolarHBondContact O-CB 3.3Å; S55-V58 PolarHBondContact O-N 3.24Å; S55-V58 VanDerWaalsContact O-N 3.15Å; S55-P105 WeakPolarHBondContact CB-O 3.49Å |
| 56 | G | 77.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 44 Ų | 44 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N31 | N31-G56 WeakPolarHBondContact O-CA 3.32Å; N31-G56 PolarHBondContact O-N 3.34Å |
| 57 | H | 76.1 | Confident | 89.9 | Confident | 122 Ų | 122 | 41.1 Ų | 41.1 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.1 | 174.9 | -49.4 | -75.7 | 0 | 0 | 0 | 112.9 | S55 | S55-H57 PolarHBondContact O-N 3.03Å; S55-H57 VanDerWaalsContact O-N 3.09Å |
| 58 | V | 73.7 | Confident | 89.9 | Confident | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | trans | -111.2 | 106.5 | -168 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | S55 R60 F61 | S55-V58 WeakPolarHBondContact O-CB 3.3Å; S55-V58 PolarHBondContact O-N 3.24Å; S55-V58 VanDerWaalsContact O-N 3.15Å; V58-R60 WeakPolarHBondContact CG1-O 3.45Å; V58-F61 HydrophobicContact CB-CD1 4.45Å; V58-F61 HydrophobicContact CB-CE1 4.14Å; V58-F61 HydrophobicContact CG1-CD1 3.56Å; V58-F61 HydrophobicContact CG1-CE1 3.7Å | ||
| 59 | D | 73.2 | Confident | 89.9 | Confident | 164 Ų | 164 | 37.9 Ų | 37.9 | 88% | 0.877 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -86.2 | -14.7 | 179 | -69.2 | -31.8 | 0 | 0 | 0 | 113.8 | ||
| 60 | R | 81.7 | Confident | 89.9 | Confident | 217 Ų | 217 | 35.9 Ų | 35.9 | 82% | 0.819 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -143.1 | 137.2 | 175.5 | -96.9 | -173.2 | 170 | -172.1 | -2.6 | 109.6 | V58 | V58-R60 WeakPolarHBondContact CG1-O 3.45Š|
| 61 | F | 88.1 | Confident | 89.7 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 11% | 0.114 | 18% | 0.184 | C | C | . | . | trans | -98.9 | 140.3 | 179 | -49.9 | -59 | 0 | 0 | 0 | 111.7 | H54 V58 T106 L108 F162 L167 | H54-F61 HydrophobicContact CB-CD1 4.45Å; H54-F61 HydrophobicContact CB-CE1 3.51Å; H54-F61 HydrophobicContact CB-CZ 3.79Å; H54-F61 AromaticContact CG-CE1 3.78Å; H54-F61 AromaticContact CG-CZ 3.7Å; H54-F61 AromaticContact ND1-CE1 3.78Å; H54-F61 AromaticContact ND1-CZ 3.79Å; V58-F61 HydrophobicContact CB-CD1 4.45Å; V58-F61 HydrophobicContact CB-CE1 4.14Å; V58-F61 HydrophobicContact CG1-CD1 3.56Å; V58-F61 HydrophobicContact CG1-CE1 3.7Å; F61-T106 VanDerWaalsContact CA-O 3.29Å; F61-T106 WeakPolarHBondContact CA-O 3.32Å; F61-L108 HydrophobicContact CB-CB 4.26Å; F61-L108 HydrophobicContact CD1-CB 4.28Å; F61-L108 HydrophobicContact CD2-CB 3.73Å; F61-L108 HydrophobicContact CD2-CD2 4.16Å; F61-L108 HydrophobicContact CD2-CG 4.39Å; F61-L108 HydrophobicContact CE2-CB 4.15Å; F61-L108 HydrophobicContact CE2-CD1 4.16Å; F61-L108 HydrophobicContact CE2-CD2 4.23Å; F61-L108 HydrophobicContact CE2-CG 4.42Å; F61-L108 HydrophobicContact CG-CB 3.81Å; F61-L108 HydrophobicContact CZ-CD1 4.35Å; F61-F162 AromaticContact CE2-CD1 3.68Å; F61-F162 HydrophobicContact CE2-CD1 3.68Å; F61-F162 AromaticContact CE2-CD2 3.81Å; F61-F162 HydrophobicContact CE2-CD2 3.81Å; F61-F162 AromaticContact CE2-CE1 3.63Å; F61-F162 HydrophobicContact CE2-CE1 3.63Å; F61-F162 AromaticContact CE2-CE2 3.77Å; F61-F162 HydrophobicContact CE2-CE2 3.77Å; F61-F162 AromaticContact CE2-CG 3.78Å; F61-F162 HydrophobicContact CE2-CG 3.78Å; F61-F162 AromaticContact CE2-CZ 3.68Å; F61-F162 HydrophobicContact CE2-CZ 3.68Å; F61-F162 HydrophobicContact CZ-CD1 4.29Å; F61-F162 AromaticContact CZ-CE1 3.78Å; F61-F162 HydrophobicContact CZ-CE1 3.78Å; F61-F162 HydrophobicContact CZ-CE2 4.15Å; F61-F162 AromaticContact CZ-CZ 3.7Å; F61-F162 HydrophobicContact CZ-CZ 3.7Å; F61-L167 HydrophobicContact CB-CD1 4.08Å; F61-L167 VanDerWaalsContact O-CD2 3.25Å; F61-L167 WeakPolarHBondContact O-CD2 3.36Å | ||
| 62 | D | 88.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 37.7 Ų | 37.7 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -86.6 | -26.6 | 178.6 | -53.2 | -37.6 | 0 | 0 | 0 | 112.3 | T106 P168 | D62-T106 PolarHBondContact N-O 3.07Å; D62-T106 WeakPolarHBondContact OD2-CB 3.42Å; D62-T106 PolarHBondContact OD2-OG1 3.15Å; D62-P168 WeakPolarHBondContact O-CD 3.45Å |
| 63 | S | 93.1 | Very high | 89.7 | Confident | 18 Ų | 18 | 37 Ų | 37 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | trans | -151.2 | 166.1 | -179.3 | 96.7 | 0 | 0 | 0 | 0 | 112.5 | S107 L108 P168 | S63-S107 WeakPolarHBondContact O-CA 3.39Å; S63-S107 WeakPolarHBondContact O-CB 3.41Å; S63-S107 WeakPolarHBondContact OG-CB 3.21Å; S63-S107 PolarHBondContact OG-OG 2.75Å; S63-L108 PolarHBondContact O-N 2.83Å; S63-P168 WeakPolarHBondContact CA-O 3.32Å; S63-P168 WeakPolarHBondContact CB-O 2.96Å | ||
| 64 | L | 95 | Very high | 89.8 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.8 | 170.8 | 177.1 | 68.2 | 0 | 0 | 0 | 109.7 | V66 L108 F110 I153 L167 P168 I169 T170 | L64-V66 HydrophobicContact CD2-CG2 4.09Å; L64-V66 HydrophobicContact CG-CG2 4.03Å; L64-L108 CarbonylContact C-O 3.52Å; L64-L108 WeakPolarHBondContact CA-O 3.48Å; L64-L108 HydrophobicContact CD1-CB 4.15Å; L64-L108 HydrophobicContact CD1-CD2 4.16Å; L64-L108 HydrophobicContact CD1-CG 4.03Å; L64-F110 HydrophobicContact CD1-CD1 4.19Å; L64-F110 HydrophobicContact CD1-CD2 3.89Å; L64-F110 HydrophobicContact CD1-CE1 4.29Å; L64-F110 HydrophobicContact CD1-CE2 3.96Å; L64-F110 HydrophobicContact CD1-CG 4.01Å; L64-F110 HydrophobicContact CD1-CZ 4.17Å; L64-I153 HydrophobicContact CD2-CD1 4.08Å; L64-I153 HydrophobicContact CD2-CG1 4.32Å; L64-I153 HydrophobicContact CD2-CG2 3.5Å; L64-I153 VanDerWaalsContact CD2-CG2 3.5Å; L64-L167 HydrophobicContact CB-CB 4.06Å; L64-L167 HydrophobicContact CB-CD1 4.22Å; L64-P168 PolarHBondContact N-O 2.96Å; L64-I169 HydrophobicContact CB-CG1 4.5Å; L64-I169 HydrophobicContact CD2-CD1 4.45Å; L64-I169 HydrophobicContact CD2-CG1 4.36Å; L64-I169 CarbonylContact O-C 3.55Å; L64-I169 VanDerWaalsContact O-CA 3.31Å; L64-I169 WeakPolarHBondContact O-CA 3.23Å; L64-T170 PolarHBondContact O-N 3.13Å |
| 65 | V | 96.7 | Very high | 90 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.7 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 109 | F104 L108 L109 F110 I172 | V65-F104 HydrophobicContact CG1-CD2 4.27Å; V65-F104 HydrophobicContact CG1-CE2 4.07Å; V65-F104 HydrophobicContact CG1-CZ 4.37Å; V65-F104 HydrophobicContact CG2-CB 3.9Å; V65-F104 HydrophobicContact CG2-CD1 3.55Å; V65-F104 HydrophobicContact CG2-CD2 3.83Å; V65-F104 HydrophobicContact CG2-CE1 3.91Å; V65-F104 HydrophobicContact CG2-CE2 4.17Å; V65-F104 HydrophobicContact CG2-CG 3.52Å; V65-F104 HydrophobicContact CG2-CZ 4.21Å; V65-L108 PolarHBondContact N-O 2.92Å; V65-L109 HydrophobicContact CB-CB 4.31Å; V65-L109 HydrophobicContact CB-CD1 4.07Å; V65-L109 HydrophobicContact CB-CG 4.08Å; V65-L109 HydrophobicContact CG1-CD1 3.86Å; V65-L109 HydrophobicContact CG1-CG 4.18Å; V65-L109 CarbonylContact O-C 3.58Å; V65-L109 WeakPolarHBondContact O-CA 3.25Å; V65-F110 PolarHBondContact O-N 2.95Å; V65-I172 HydrophobicContact CG1-CD1 3.64Å; V65-I172 HydrophobicContact CG1-CG1 4.25Å |
| 66 | V | 97.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 110.8 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | L64 F68 F110 V112 L149 I153 I169 T170 L171 I172 | L64-V66 HydrophobicContact CD2-CG2 4.09Å; L64-V66 HydrophobicContact CG-CG2 4.03Å; V66-F68 HydrophobicContact CG1-CE2 4Å; V66-F68 HydrophobicContact CG1-CZ 3.95Å; V66-F110 CarbonylContact C-O 3.52Å; V66-F110 WeakPolarHBondContact CA-O 3.21Å; V66-V112 HydrophobicContact CG1-CG2 3.76Å; V66-L149 HydrophobicContact CG1-CD1 4.37Å; V66-I153 HydrophobicContact CG2-CD1 3.91Å; V66-I153 HydrophobicContact CG2-CG1 4.46Å; V66-I169 HydrophobicContact CG2-CG2 4.13Å; V66-T170 PolarHBondContact N-O 3.44Å; V66-L171 HydrophobicContact CB-CD2 3.93Å; V66-L171 HydrophobicContact CG2-CD2 4.32Å; V66-I172 PolarHBondContact O-N 3.02Å |
| 67 | F | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.6 | -177.7 | 179.9 | -118.8 | 0 | 0 | 0 | 112.2 | P69 V96 L100 F110 V111 V112 I172 F174 I293 | F67-P69 HydrophobicContact CE1-CB 3.87Å; F67-P69 HydrophobicContact CZ-CB 4.4Å; F67-V96 HydrophobicContact CD1-CG1 4.21Å; F67-V96 HydrophobicContact CE1-CG1 3.5Å; F67-V96 VanDerWaalsContact CE1-CG1 3.5Å; F67-V96 HydrophobicContact CZ-CG1 3.97Å; F67-L100 HydrophobicContact CB-CD1 3.97Å; F67-L100 HydrophobicContact CD1-CD1 3.75Å; F67-L100 HydrophobicContact CD2-CD1 3.59Å; F67-L100 HydrophobicContact CE1-CD1 4.11Å; F67-L100 HydrophobicContact CE2-CD1 3.95Å; F67-L100 HydrophobicContact CG-CD1 3.48Å; F67-L100 VanDerWaalsContact CG-CD1 3.48Å; F67-L100 HydrophobicContact CZ-CD1 4.2Å; F67-F110 PolarHBondContact N-O 3.22Å; F67-V111 HydrophobicContact CB-CG2 4.38Å; F67-V111 HydrophobicContact CD1-CB 4.45Å; F67-V111 HydrophobicContact CD1-CG1 3.85Å; F67-V111 HydrophobicContact CD1-CG2 4.03Å; F67-V111 WeakPolarHBondContact O-CA 3.45Å; F67-V112 PolarHBondContact O-N 3.2Å; F67-I172 CarbonylContact C-O 3.53Å; F67-I172 WeakPolarHBondContact CA-O 3.44Å; F67-I172 HydrophobicContact CD2-CB 3.95Å; F67-I172 HydrophobicContact CD2-CG2 3.68Å; F67-I172 HydrophobicContact CE2-CG2 4.06Å; F67-F174 HydrophobicContact CE2-CB 3.61Å; F67-F174 HydrophobicContact CZ-CB 3.7Å; F67-I293 HydrophobicContact CZ-CD1 4.49Å |
| 68 | F | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.2 | 170.8 | -60.5 | -80.4 | 0 | 0 | 0 | 109.4 | V66 V112 Y125 F128 L149 I172 F174 G177 V180 L181 | V66-F68 HydrophobicContact CG1-CE2 4Å; V66-F68 HydrophobicContact CG1-CZ 3.95Å; F68-V112 HydrophobicContact CD1-CB 3.91Å; F68-V112 HydrophobicContact CD1-CG1 4.29Å; F68-V112 HydrophobicContact CE1-CB 3.72Å; F68-V112 HydrophobicContact CE1-CG1 3.9Å; F68-V112 HydrophobicContact CE1-CG2 4.06Å; F68-V112 HydrophobicContact CZ-CG2 4.5Å; F68-Y125 AromaticContact CD1-CE1 3.97Å; F68-Y125 HydrophobicContact CD1-CE1 3.97Å; F68-F128 HydrophobicContact CE1-CE1 4.21Å; F68-F128 HydrophobicContact CE1-CE2 4.09Å; F68-F128 AromaticContact CE1-CZ 3.83Å; F68-F128 HydrophobicContact CE1-CZ 3.83Å; F68-F128 HydrophobicContact CZ-CE1 4.33Å; F68-F128 HydrophobicContact CZ-CZ 4.29Å; F68-L149 HydrophobicContact CZ-CD1 4Å; F68-I172 PolarHBondContact N-O 3.14Å; F68-F174 PolarHBondContact O-N 2.96Å; F68-G177 WeakPolarHBondContact O-CA 3.27Å; F68-V180 HydrophobicContact CD1-CB 4.18Å; F68-V180 HydrophobicContact CD1-CG1 4.08Å; F68-V180 HydrophobicContact CD1-CG2 3.92Å; F68-V180 HydrophobicContact CD2-CB 4.37Å; F68-V180 HydrophobicContact CD2-CG1 4.31Å; F68-V180 HydrophobicContact CE1-CB 4.41Å; F68-V180 HydrophobicContact CE1-CG1 3.8Å; F68-V180 HydrophobicContact CE1-CG2 4.37Å; F68-V180 HydrophobicContact CE2-CG1 4.05Å; F68-V180 HydrophobicContact CG-CB 4.16Å; F68-V180 HydrophobicContact CG-CG1 4.33Å; F68-V180 HydrophobicContact CG-CG2 4.2Å; F68-V180 HydrophobicContact CZ-CG1 3.78Å; F68-L181 HydrophobicContact CD2-CD2 4.35Å; F68-L181 HydrophobicContact CE2-CD2 4.47Å |
| 69 | P | 97.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | trans | -68.9 | 169.3 | 179.5 | 27.7 | -36.8 | 0 | 0 | 0 | 114.2 | F67 Q73 L93 V111 V112 Y125 F174 G177 | F67-P69 HydrophobicContact CE1-CB 3.87Å; F67-P69 HydrophobicContact CZ-CB 4.4Å; P69-Q73 HydrophobicContact CB-CB 4.04Å; P69-Q73 VanDerWaalsContact CB-OE1 3.3Å; P69-L93 HydrophobicContact CB-CD2 3.65Å; P69-L93 HydrophobicContact CG-CD2 3.61Å; P69-V111 HydrophobicContact CG-CG1 4.12Å; P69-V112 WeakPolarHBondContact CD-O 3.35Å; P69-Y125 WeakPolarHBondContact CD-OH 3.43Å; P69-Y125 WeakPolarHBondContact CG-OH 3.39Å; P69-Y125 VanDerWaalsContact N-OH 3.12Å; P69-Y125 WeakPolarHBondContact O-CE2 3.33Å; P69-Y125 PolarHBondContact O-OH 2.99Å; P69-F174 CarbonylContact C-O 3.21Å; P69-G177 PolarHBondContact O-N 2.94Å | ||
| 70 | G | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | trans | -93.7 | -163.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A123 F174 | G70-A123 WeakPolarHBondContact O-CB 3.38Å; G70-F174 VanDerWaalsContact CA-O 3.26Å; G70-F174 WeakPolarHBondContact CA-O 3.32Å; G70-F174 PolarHBondContact N-O 3.18Å | ||
| 71 | D | 93.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -67.4 | 163.9 | 163.4 | -73.1 | -28.8 | 0 | 0 | 0 | 110.8 | Q73 T121 F122 A123 K176 | D71-Q73 PolarHBondContact O-N 2.87Å; D71-T121 CarbonylContact C-O 3.58Å; D71-T121 VanDerWaalsContact CA-O 3.32Å; D71-T121 WeakPolarHBondContact CA-O 3.49Å; D71-T121 WeakPolarHBondContact CB-O 3.46Å; D71-F122 VanDerWaalsContact OD1-CA 3.28Å; D71-F122 WeakPolarHBondContact OD1-CA 3.5Å; D71-A123 PolarHBondContact OD1-N 3.26Å; D71-K176 VanDerWaalsContact CG-CE 3.46Å; D71-K176 WeakPolarHBondContact OD1-CD 3.3Å; D71-K176 WeakPolarHBondContact OD1-CE 3.39Å; D71-K176 WeakPolarHBondContact OD2-CE 3.31Å; D71-K176 IonicContact OD2-NZ 3.14Å |
| 72 | V | 93.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 67.3 | -31 | -173.9 | 180 | 0 | 0 | 0 | 0 | 114.5 | D74 M79 N85 F88 T121 F290 | V72-D74 PolarHBondContact O-N 3.04Å; V72-M79 HydrophobicContact CG1-CE 3.87Å; V72-N85 HydrophobicContact CG1-CB 3.91Å; V72-F88 HydrophobicContact CG1-CB 3.73Å; V72-F88 HydrophobicContact CG1-CD2 3.77Å; V72-F88 HydrophobicContact CG1-CG 4.03Å; V72-T121 HydrophobicContact CG2-CG2 3.95Å; V72-T121 PolarHBondContact N-O 2.78Å; V72-F290 HydrophobicContact CB-CE1 4.41Å; V72-F290 HydrophobicContact CB-CZ 3.8Å; V72-F290 HydrophobicContact CG1-CZ 4.11Å; V72-F290 HydrophobicContact CG2-CZ 4.02Å |
| 73 | Q | 94.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | trans | -78.5 | 110.3 | -171.8 | -55.3 | -168.7 | -74.6 | 0 | 0 | 113.3 | P69 D71 W91 L93 F290 | P69-Q73 HydrophobicContact CB-CB 4.04Å; P69-Q73 VanDerWaalsContact CB-OE1 3.3Å; D71-Q73 PolarHBondContact O-N 2.87Å; Q73-W91 WeakPolarHBondContact CG-O 3.44Å; Q73-W91 PolarHBondContact NE2-O 3.28Å; Q73-L93 HydrophobicContact CB-CD2 4.07Å; Q73-F290 HydrophobicContact CG-CE1 4.24Å | ||
| 74 | D | 95.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | trans | -132.9 | -177 | 168 | -149.6 | -56 | 0 | 0 | 0 | 109.7 | V72 A78 M79 N92 L93 K113 V117 | V72-D74 PolarHBondContact O-N 3.04Å; D74-A78 HydrophobicContact CB-CB 4.1Å; D74-M79 HydrophobicContact CB-CG 4.26Å; D74-N92 WeakPolarHBondContact O-CB 3.43Å; D74-L93 PolarHBondContact O-N 2.77Å; D74-K113 WeakPolarHBondContact OD1-CE 3.49Å; D74-K113 IonicContact OD1-NZ 3.93Å; D74-K113 PolarHBondContact OD1-NZ 2.88Å; D74-K113 IonicContact OD2-NZ 3.53Å; D74-K113 PolarHBondContact OD2-NZ 3.15Å; D74-V117 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 75 | Y | 95.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | trans | -57.4 | 145.3 | 171.6 | -67.9 | -48.7 | 0 | 0 | 0 | 111.1 | R36 D49 L51 Q77 A78 M79 L93 E94 K113 | R36-Y75 HydrophobicContact CG-CE1 4.09Å; R36-Y75 VanDerWaalsContact CZ-CG 3.41Å; D49-Y75 WeakPolarHBondContact CB-OH 3.44Å; L51-Y75 HydrophobicContact CD1-CE1 4.26Å; Y75-Q77 PolarHBondContact O-N 2.82Å; Y75-A78 WeakPolarHBondContact O-CB 3.19Å; Y75-A78 PolarHBondContact O-N 3.22Å; Y75-M79 PolarHBondContact O-N 3.1Å; Y75-L93 HydrophobicContact CD1-CB 4.33Å; Y75-L93 HydrophobicContact CD1-CD1 3.87Å; Y75-L93 HydrophobicContact CE1-CD1 3.92Å; Y75-L93 HydrophobicContact CG-CD1 4.43Å; Y75-E94 WeakPolarHBondContact CA-OE2 3.39Å; Y75-K113 HydrophobicContact CD2-CD 4.24Å; Y75-K113 VanDerWaalsContact CD2-CE 3.5Å; Y75-K113 HydrophobicContact CE2-CD 3.6Å | ||
| 76 | R | 94.9 | Very high | 93 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -45.7 | -44.9 | -177.2 | -165.1 | -172.8 | -173.7 | 94.7 | 6.4 | 114.4 | A78 M79 E80 L89 N92 E94 D95 | R76-A78 VanDerWaalsContact C-N 3.31Å; R76-A78 PolarHBondContact O-N 3.45Å; R76-M79 PolarHBondContact O-N 3.28Å; R76-E80 WeakPolarHBondContact CD-OE1 3.48Å; R76-E80 HydrophobicContact CG-CG 4.47Å; R76-E80 WeakPolarHBondContact CG-OE1 3.31Å; R76-E80 IonicContact CZ-OE1 2.73Å; R76-E80 IonicContact NE-OE1 3.78Å; R76-E80 PolarHBondContact NE-OE1 3.16Å; R76-E80 IonicContact NH2-OE1 2.63Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 3.22Å; R76-E80 PolarHBondContact O-N 3.49Å; R76-L89 HydrophobicContact CG-CD2 3.74Å; R76-N92 HydrophobicContact CB-CB 4.28Å; R76-N92 PolarHBondContact NH1-ND2 3.26Å; R76-E94 PolarHBondContact N-OE2 3.31Å; R76-E94 VanDerWaalsContact N-OE2 3.1Å; R76-D95 IonicContact NH1-OD1 2.83Å; R76-D95 IonicContact NH1-OD2 3.32Å; R76-D95 PolarHBondContact NH1-OD2 3.45Å |
| 77 | Q | 93.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | -178.3 | -52.1 | 90.2 | 17.6 | 0 | 0 | 113.3 | Y75 C81 | Y75-Q77 PolarHBondContact O-N 2.82Å; Q77-C81 PolarHBondContact O-N 3.49Å; Q77-C81 PolarHBondContact O-SG 3.01Å |
| 78 | A | 92.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | D74 Y75 R76 C81 H82 | D74-A78 HydrophobicContact CB-CB 4.1Å; Y75-A78 WeakPolarHBondContact O-CB 3.19Å; Y75-A78 PolarHBondContact O-N 3.22Å; R76-A78 VanDerWaalsContact C-N 3.31Å; R76-A78 PolarHBondContact O-N 3.45Å; A78-C81 PolarHBondContact O-N 3.03Å; A78-H82 PolarHBondContact O-N 2.93Å |
| 79 | M | 94.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 175 | -63.6 | -177.2 | 68.2 | 0 | 0 | 112.2 | V72 D74 Y75 R76 C81 H82 N85 F88 N92 | V72-M79 HydrophobicContact CG1-CE 3.87Å; D74-M79 HydrophobicContact CB-CG 4.26Å; Y75-M79 PolarHBondContact O-N 3.1Å; R76-M79 PolarHBondContact O-N 3.28Å; M79-C81 PolarHBondContact O-N 2.81Å; M79-H82 PolarHBondContact O-N 3.49Å; M79-N85 WeakPolarHBondContact CE-O 3.17Å; M79-F88 HydrophobicContact CE-CB 4.17Å; M79-F88 WeakPolarHBondContact CE-O 3.32Å; M79-N92 VanDerWaalsContact SD-CA 3.58Å; M79-N92 HydrophobicContact SD-CB 3.65Å |
| 80 | E | 92.1 | Very high | 92 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -25.3 | 175.8 | -84.1 | 170.1 | -178.7 | 0 | 0 | 114 | R76 L89 | R76-E80 WeakPolarHBondContact CD-OE1 3.48Å; R76-E80 HydrophobicContact CG-CG 4.47Å; R76-E80 WeakPolarHBondContact CG-OE1 3.31Å; R76-E80 IonicContact CZ-OE1 2.73Å; R76-E80 IonicContact NE-OE1 3.78Å; R76-E80 PolarHBondContact NE-OE1 3.16Å; R76-E80 IonicContact NH2-OE1 2.63Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 3.22Å; R76-E80 PolarHBondContact O-N 3.49Å; E80-L89 HydrophobicContact CG-CD1 3.85Å; E80-L89 HydrophobicContact CG-CD2 3.94Å; E80-L89 HydrophobicContact CG-CG 4.18Å |
| 81 | C | 88.6 | Confident | 92 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 77% | 0.77 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10.8 | 179.2 | -64 | 0 | 0 | 0 | 0 | 114.1 | Q77 A78 M79 | Q77-C81 PolarHBondContact O-N 3.49Å; Q77-C81 PolarHBondContact O-SG 3.01Å; A78-C81 PolarHBondContact O-N 3.03Å; M79-C81 PolarHBondContact O-N 2.81Å |
| 82 | H | 90 | Very high | 92.1 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -86.5 | 146.4 | 179 | -162.3 | -82.5 | 0 | 0 | 0 | 110.5 | A78 M79 E84 N85 R86 N119 | A78-H82 PolarHBondContact O-N 2.93Å; M79-H82 PolarHBondContact O-N 3.49Å; H82-E84 IonicContact CE1-OE2 3.78Å; H82-E84 PolarHBondContact ND1-N 3.18Å; H82-N85 HydrophobicContact CB-CB 4.05Å; H82-N85 PolarHBondContact ND1-N 3.01Å; H82-R86 VanDerWaalsContact O-CB 3.32Å; H82-R86 WeakPolarHBondContact O-CB 3.09Å; H82-N119 PolarHBondContact NE2-O 3.36Å |
| 83 | S | 85.2 | Confident | 92.3 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67.5 | -55.1 | 179.3 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 84 | E | 84.1 | Confident | 92.3 | Very high | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -79.4 | -62.2 | -174.2 | -63.9 | 160.6 | -179.9 | 0 | 0 | 111.6 | H82 R86 E87 | H82-E84 IonicContact CE1-OE2 3.78Å; H82-E84 PolarHBondContact ND1-N 3.18Å; E84-R86 PolarHBondContact O-N 3.21Å; E84-E87 PolarHBondContact O-N 3.22Å |
| 85 | N | 89.1 | Confident | 92.3 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -11.4 | -176.1 | -56.8 | -6 | 0 | 0 | 0 | 116 | V72 M79 H82 E87 F88 G120 T121 | V72-N85 HydrophobicContact CG1-CB 3.91Å; M79-N85 WeakPolarHBondContact CE-O 3.17Å; H82-N85 HydrophobicContact CB-CB 4.05Å; H82-N85 PolarHBondContact ND1-N 3.01Å; N85-E87 VanDerWaalsContact C-N 3.28Å; N85-E87 PolarHBondContact O-N 2.92Å; N85-F88 PolarHBondContact O-N 3.19Å; N85-G120 PolarHBondContact ND2-O 3.27Å; N85-T121 PolarHBondContact ND2-OG1 2.62Å; N85-T121 PolarHBondContact OD1-OG1 2.63Å |
| 86 | R | 89.4 | Confident | 92.3 | Very high | 149 Ų | 149 | 58.1 Ų | 58.1 | 56% | 0.562 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.6 | 173.8 | -170.7 | 175.2 | -164.1 | 170.8 | 11.1 | 113.7 | H82 E84 F88 L89 | H82-R86 VanDerWaalsContact O-CB 3.32Å; H82-R86 WeakPolarHBondContact O-CB 3.09Å; E84-R86 PolarHBondContact O-N 3.21Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-L89 HydrophobicContact CG-CD1 4.12Å; R86-L89 WeakPolarHBondContact O-CB 3.15Å |
| 87 | E | 91.1 | Very high | 92.3 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 69% | 0.692 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -34.1 | 172.2 | 74.5 | -175 | 147 | 0 | 0 | 111.8 | E84 N85 L89 | E84-E87 PolarHBondContact O-N 3.22Å; N85-E87 VanDerWaalsContact C-N 3.28Å; N85-E87 PolarHBondContact O-N 2.92Å; E87-L89 PolarHBondContact O-N 3.1Å; E87-L89 VanDerWaalsContact O-N 3.15Å |
| 88 | F | 92.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 20.8 | 178.2 | -56.2 | -64 | 0 | 0 | 0 | 113.5 | V72 M79 N85 R86 R90 W91 I286 F290 | V72-F88 HydrophobicContact CG1-CB 3.73Å; V72-F88 HydrophobicContact CG1-CD2 3.77Å; V72-F88 HydrophobicContact CG1-CG 4.03Å; M79-F88 HydrophobicContact CE-CB 4.17Å; M79-F88 WeakPolarHBondContact CE-O 3.32Å; N85-F88 PolarHBondContact O-N 3.19Å; R86-F88 VanDerWaalsContact C-N 3.34Å; F88-R90 PolarHBondContact O-N 3.38Å; F88-R90 VanDerWaalsContact O-N 3.08Å; F88-W91 WeakPolarHBondContact O-CB 3.47Å; F88-W91 PolarHBondContact O-N 3.38Å; F88-I286 HydrophobicContact CE1-CG2 3.89Å; F88-I286 HydrophobicContact CZ-CD1 4.2Å; F88-I286 HydrophobicContact CZ-CG1 4.49Å; F88-I286 HydrophobicContact CZ-CG2 3.71Å; F88-F290 HydrophobicContact CB-CE2 4.39Å; F88-F290 AromaticContact CD1-CD2 3.82Å; F88-F290 HydrophobicContact CD1-CD2 3.82Å; F88-F290 AromaticContact CD1-CE2 3.55Å; F88-F290 HydrophobicContact CD1-CE2 3.55Å; F88-F290 HydrophobicContact CD2-CE2 4.42Å; F88-F290 HydrophobicContact CE1-CD2 4.25Å; F88-F290 AromaticContact CE1-CE2 3.94Å; F88-F290 HydrophobicContact CE1-CE2 3.94Å; F88-F290 HydrophobicContact CG-CD2 4.46Å; F88-F290 AromaticContact CG-CE2 3.84Å; F88-F290 HydrophobicContact CG-CE2 3.84Å; F88-F290 HydrophobicContact CG-CZ 4.49Å |
| 89 | L | 93.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -53.3 | -36.5 | -169.8 | -132.7 | 167.6 | 0 | 0 | 0 | 113.9 | R76 E80 R86 E87 W91 N92 | R76-L89 HydrophobicContact CG-CD2 3.74Å; E80-L89 HydrophobicContact CG-CD1 3.85Å; E80-L89 HydrophobicContact CG-CD2 3.94Å; E80-L89 HydrophobicContact CG-CG 4.18Å; R86-L89 HydrophobicContact CG-CD1 4.12Å; R86-L89 WeakPolarHBondContact O-CB 3.15Å; E87-L89 PolarHBondContact O-N 3.1Å; E87-L89 VanDerWaalsContact O-N 3.15Å; L89-W91 PolarHBondContact O-N 2.95Å; L89-W91 VanDerWaalsContact O-N 3.16Å; L89-N92 PolarHBondContact O-N 2.99Å; L89-N92 PolarHBondContact O-ND2 3.29Å |
| 90 | R | 93.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66.1 | -10.7 | 177.8 | 69.7 | 169.9 | 176.6 | 147.4 | -4.7 | 114.7 | F88 D95 E287 E294 | F88-R90 PolarHBondContact O-N 3.38Å; F88-R90 VanDerWaalsContact O-N 3.08Å; R90-D95 WeakPolarHBondContact O-CB 3.49Å; R90-E287 IonicContact CZ-OE1 3.43Å; R90-E287 IonicContact CZ-OE2 2.74Å; R90-E287 IonicContact NH2-OE1 2.82Å; R90-E287 PolarHBondContact NH2-OE1 2.75Å; R90-E287 IonicContact NH2-OE2 3.9Å; R90-E287 PolarHBondContact NH2-OE2 2.81Å; R90-E294 IonicContact CZ-OE2 3.69Å; R90-E294 IonicContact NH1-OE1 3.72Å; R90-E294 PolarHBondContact NH1-OE1 2.88Å; R90-E294 IonicContact NH1-OE2 3.79Å; R90-E294 PolarHBondContact NH1-OE2 2.87Å |
| 91 | W | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -102.2 | 14.3 | -178.4 | -55.2 | 122.1 | 0 | 0 | 0 | 112.9 | Q73 F88 L89 V96 M99 E287 F290 R291 I293 E294 | Q73-W91 WeakPolarHBondContact CG-O 3.44Å; Q73-W91 PolarHBondContact NE2-O 3.28Å; F88-W91 WeakPolarHBondContact O-CB 3.47Å; F88-W91 PolarHBondContact O-N 3.38Å; L89-W91 PolarHBondContact O-N 2.95Å; L89-W91 VanDerWaalsContact O-N 3.16Å; W91-V96 HydrophobicContact CB-CG2 4.5Å; W91-V96 HydrophobicContact CE3-CG2 4.08Å; W91-M99 HydrophobicContact CE3-CE 4.25Å; W91-M99 HydrophobicContact CE3-SD 3.92Å; W91-M99 HydrophobicContact CH2-CE 4.36Å; W91-M99 HydrophobicContact CH2-SD 4.42Å; W91-M99 HydrophobicContact CZ3-CE 3.82Å; W91-M99 HydrophobicContact CZ3-SD 3.46Å; W91-M99 WeakPolarHBondContact CZ3-SD 3.19Å; W91-E287 PolarHBondContact NE1-OE2 3.07Å; W91-F290 HydrophobicContact CB-CD1 4.21Å; W91-F290 HydrophobicContact CB-CG 4.43Å; W91-F290 AromaticContact CD1-CD2 3.8Å; W91-F290 AromaticContact CD1-CG 3.69Å; W91-F290 HydrophobicContact CD2-CB 3.55Å; W91-F290 HydrophobicContact CD2-CG 4.19Å; W91-F290 HydrophobicContact CE3-CB 4.16Å; W91-F290 HydrophobicContact CG-CB 3.79Å; W91-F290 HydrophobicContact CG-CD1 4.14Å; W91-F290 HydrophobicContact CG-CD2 4.42Å; W91-F290 AromaticContact CG-CG 3.89Å; W91-F290 HydrophobicContact CG-CG 3.89Å; W91-F290 HydrophobicContact CH2-CB 4.24Å; W91-F290 WeakPolarHBondContact CH2-O 3.48Å; W91-F290 HydrophobicContact CZ2-CB 3.63Å; W91-F290 HydrophobicContact CZ3-CB 4.47Å; W91-F290 WeakPolarHBondContact CZ3-O 3.22Å; W91-F290 AromaticContact NE1-CD2 4Å; W91-F290 AromaticContact NE1-CG 3.86Å; W91-R291 HydrophobicContact CH2-CG 4.39Å; W91-R291 HydrophobicContact CZ2-CG 4.05Å; W91-I293 HydrophobicContact CZ3-CB 4.12Å; W91-E294 HydrophobicContact CH2-CB 4.09Å; W91-E294 HydrophobicContact CH2-CG 3.57Å; W91-E294 HydrophobicContact CZ3-CG 3.89Å |
| 92 | N | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -61.5 | 162.4 | 171 | 71.6 | 69.8 | 0 | 0 | 0 | 112.2 | D74 R76 M79 L89 E94 D95 V96 | D74-N92 WeakPolarHBondContact O-CB 3.43Å; R76-N92 HydrophobicContact CB-CB 4.28Å; R76-N92 PolarHBondContact NH1-ND2 3.26Å; M79-N92 VanDerWaalsContact SD-CA 3.58Å; M79-N92 HydrophobicContact SD-CB 3.65Å; L89-N92 PolarHBondContact O-N 2.99Å; L89-N92 PolarHBondContact O-ND2 3.29Å; N92-E94 PolarHBondContact O-N 3.12Å; N92-E94 WeakPolarHBondContact OD1-CA 3.2Å; N92-E94 WeakPolarHBondContact OD1-CB 3.4Å; N92-E94 PolarHBondContact OD1-N 3.47Å; N92-E94 PolarHBondContact OD1-OE2 3.09Å; N92-D95 PolarHBondContact ND2-OD2 3.2Å; N92-D95 PolarHBondContact O-N 2.86Å; N92-D95 PolarHBondContact OD1-N 2.86Å; N92-V96 WeakPolarHBondContact O-CB 3.26Å; N92-V96 WeakPolarHBondContact O-CG2 3.24Å; N92-V96 PolarHBondContact O-N 2.82Å |
| 93 | L | 96.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -32.3 | -173.5 | -59.1 | 178.8 | 0 | 0 | 0 | 113.5 | L51 P69 Q73 D74 Y75 A97 V111 K113 | L51-L93 HydrophobicContact CD2-CB 4.46Å; L51-L93 WeakPolarHBondContact CD2-O 3.44Å; P69-L93 HydrophobicContact CB-CD2 3.65Å; P69-L93 HydrophobicContact CG-CD2 3.61Å; Q73-L93 HydrophobicContact CB-CD2 4.07Å; D74-L93 PolarHBondContact O-N 2.77Å; Y75-L93 HydrophobicContact CD1-CB 4.33Å; Y75-L93 HydrophobicContact CD1-CD1 3.87Å; Y75-L93 HydrophobicContact CE1-CD1 3.92Å; Y75-L93 HydrophobicContact CG-CD1 4.43Å; L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 3.02Å; L93-V111 HydrophobicContact CD2-CG1 4.02Å; L93-K113 HydrophobicContact CD1-CD 4.37Å; L93-K113 HydrophobicContact CD1-CG 4.01Å |
| 94 | E | 95.3 | Very high | 92.2 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.1 | -45.2 | -178.9 | -59.3 | 100.9 | 133.4 | 0 | 0 | 113.4 | L34 R36 L51 Y75 R76 N92 V96 S98 | L34-E94 HydrophobicContact CD1-CB 4.16Å; L34-E94 HydrophobicContact CD2-CB 4.31Å; L34-E94 HydrophobicContact CD2-CG 3.94Å; R36-E94 IonicContact CZ-OE1 2.85Å; R36-E94 IonicContact NE-OE1 2.74Å; R36-E94 IonicContact NH2-OE1 2.85Å; R36-E94 PolarHBondContact NH2-OE1 3.11Å; L51-E94 HydrophobicContact CD1-CG 4.3Å; L51-E94 HydrophobicContact CD2-CB 4.36Å; L51-E94 HydrophobicContact CD2-CG 3.93Å; Y75-E94 WeakPolarHBondContact CA-OE2 3.39Å; R76-E94 PolarHBondContact N-OE2 3.31Å; R76-E94 VanDerWaalsContact N-OE2 3.1Å; N92-E94 PolarHBondContact O-N 3.12Å; N92-E94 WeakPolarHBondContact OD1-CA 3.2Å; N92-E94 WeakPolarHBondContact OD1-CB 3.4Å; N92-E94 PolarHBondContact OD1-N 3.47Å; N92-E94 PolarHBondContact OD1-OE2 3.09Å; E94-V96 VanDerWaalsContact C-N 3.33Å; E94-S98 PolarHBondContact O-N 3.27Å; E94-S98 VanDerWaalsContact O-N 3.15Å; E94-S98 PolarHBondContact O-OG 2.82Å |
| 95 | D | 94.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 40 Ų | 40 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 176.7 | -70.1 | -21.7 | 0 | 0 | 0 | 110.4 | R76 R90 N92 S98 M99 | R76-D95 IonicContact NH1-OD1 2.83Å; R76-D95 IonicContact NH1-OD2 3.32Å; R76-D95 PolarHBondContact NH1-OD2 3.45Å; R90-D95 WeakPolarHBondContact O-CB 3.49Å; N92-D95 PolarHBondContact ND2-OD2 3.2Å; N92-D95 PolarHBondContact O-N 2.86Å; N92-D95 PolarHBondContact OD1-N 2.86Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CB 3.47Å; D95-S98 PolarHBondContact O-N 3.16Å; D95-M99 WeakPolarHBondContact O-CG 3.31Å; D95-M99 PolarHBondContact O-N 3.09Å |
| 96 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -38.3 | 176.8 | 165.8 | 0 | 0 | 0 | 0 | 113.1 | F67 W91 N92 E94 S98 M99 L100 I293 | F67-V96 HydrophobicContact CD1-CG1 4.21Å; F67-V96 HydrophobicContact CE1-CG1 3.5Å; F67-V96 VanDerWaalsContact CE1-CG1 3.5Å; F67-V96 HydrophobicContact CZ-CG1 3.97Å; W91-V96 HydrophobicContact CB-CG2 4.5Å; W91-V96 HydrophobicContact CE3-CG2 4.08Å; N92-V96 WeakPolarHBondContact O-CB 3.26Å; N92-V96 WeakPolarHBondContact O-CG2 3.24Å; N92-V96 PolarHBondContact O-N 2.82Å; E94-V96 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 2.89Å; V96-M99 PolarHBondContact O-N 3.43Å; V96-L100 HydrophobicContact CG1-CD1 4.17Å; V96-L100 PolarHBondContact O-N 3.31Å; V96-I293 HydrophobicContact CG1-CD1 4.36Å; V96-I293 HydrophobicContact CG1-CG2 3.97Å; V96-I293 HydrophobicContact CG2-CD1 4.39Å |
| 97 | A | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -40.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L34 L51 L93 L100 L101 L109 V111 | L34-A97 HydrophobicContact CD1-CB 4.3Å; L51-A97 HydrophobicContact CD2-CB 3.91Å; L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 3.02Å; A97-L100 PolarHBondContact O-N 2.94Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 3.14Å; A97-L109 HydrophobicContact CB-CD2 4.03Å; A97-V111 HydrophobicContact CB-CG2 3.83Å |
| 98 | S | 92.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 19% | 0.189 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.7 | -23.1 | 177.8 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | E94 D95 V96 R102 | E94-S98 PolarHBondContact O-N 3.27Å; E94-S98 VanDerWaalsContact O-N 3.15Å; E94-S98 PolarHBondContact O-OG 2.82Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CB 3.47Å; D95-S98 PolarHBondContact O-N 3.16Å; V96-S98 PolarHBondContact O-N 2.89Å; S98-R102 PolarHBondContact O-NE 2.99Å; S98-R102 VanDerWaalsContact O-NE 3.13Å |
| 99 | M | 92.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74 | -48.6 | 168.3 | -75.1 | 174.7 | 170.5 | 0 | 0 | 111.6 | W91 D95 V96 R102 E294 | W91-M99 HydrophobicContact CE3-CE 4.25Å; W91-M99 HydrophobicContact CE3-SD 3.92Å; W91-M99 HydrophobicContact CH2-CE 4.36Å; W91-M99 HydrophobicContact CH2-SD 4.42Å; W91-M99 HydrophobicContact CZ3-CE 3.82Å; W91-M99 HydrophobicContact CZ3-SD 3.46Å; W91-M99 WeakPolarHBondContact CZ3-SD 3.19Å; D95-M99 WeakPolarHBondContact O-CG 3.31Å; D95-M99 PolarHBondContact O-N 3.09Å; V96-M99 PolarHBondContact O-N 3.43Å; M99-R102 WeakPolarHBondContact O-CB 3.27Å; M99-R102 PolarHBondContact O-N 3.04Å; M99-E294 HydrophobicContact CE-CG 3.71Å; M99-E294 VanDerWaalsContact CE-OE1 3.31Å; M99-E294 WeakPolarHBondContact CE-OE1 3.49Å; M99-E294 HydrophobicContact SD-CG 3.87Å |
| 100 | L | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | -179.3 | -69.4 | 171.9 | 0 | 0 | 0 | 112 | F67 V96 A97 R102 Q103 F104 L109 I293 F296 | F67-L100 HydrophobicContact CB-CD1 3.97Å; F67-L100 HydrophobicContact CD1-CD1 3.75Å; F67-L100 HydrophobicContact CD2-CD1 3.59Å; F67-L100 HydrophobicContact CE1-CD1 4.11Å; F67-L100 HydrophobicContact CE2-CD1 3.95Å; F67-L100 HydrophobicContact CG-CD1 3.48Å; F67-L100 VanDerWaalsContact CG-CD1 3.48Å; F67-L100 HydrophobicContact CZ-CD1 4.2Å; V96-L100 HydrophobicContact CG1-CD1 4.17Å; V96-L100 PolarHBondContact O-N 3.31Å; A97-L100 PolarHBondContact O-N 2.94Å; L100-R102 PolarHBondContact O-N 3.21Å; L100-R102 VanDerWaalsContact O-N 3.17Å; L100-Q103 WeakPolarHBondContact O-CA 3.38Å; L100-Q103 WeakPolarHBondContact O-CB 3.37Å; L100-Q103 PolarHBondContact O-N 3.01Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-L109 HydrophobicContact CB-CD1 3.51Å; L100-L109 HydrophobicContact CD1-CD1 4.49Å; L100-I293 HydrophobicContact CD2-CG2 4.27Å; L100-I293 HydrophobicContact CG-CG2 4.37Å; L100-F296 HydrophobicContact CD2-CD1 3.88Å; L100-F296 HydrophobicContact CD2-CE1 4.39Å |
| 101 | L | 90.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -27.6 | 178.9 | -170.8 | 70.5 | 0 | 0 | 0 | 112.9 | V32 A97 Q103 F104 P105 L109 | V32-L101 HydrophobicContact CG1-CD2 3.88Å; V32-L101 HydrophobicContact CG2-CD2 4.2Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 3.14Å; L101-Q103 PolarHBondContact O-N 3.27Å; L101-F104 CarbonylContact O-C 3.48Å; L101-F104 PolarHBondContact O-N 3.03Å; L101-P105 WeakPolarHBondContact O-CA 3.49Å; L101-L109 HydrophobicContact CD1-CB 4.26Å |
| 102 | R | 87.4 | Confident | 93.1 | Very high | 134 Ų | 134 | 22.3 Ų | 22.3 | 51% | 0.506 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.1 | 171.4 | -76.1 | 175.8 | -100.4 | -172.2 | -0.6 | 113.8 | L29 S98 M99 L100 | L29-R102 HydrophobicContact CD1-CG 4Å; L29-R102 HydrophobicContact CD2-CG 3.95Å; S98-R102 PolarHBondContact O-NE 2.99Å; S98-R102 VanDerWaalsContact O-NE 3.13Å; M99-R102 WeakPolarHBondContact O-CB 3.27Å; M99-R102 PolarHBondContact O-N 3.04Å; L100-R102 PolarHBondContact O-N 3.21Å; L100-R102 VanDerWaalsContact O-N 3.17Å |
| 103 | Q | 88.5 | Confident | 93.1 | Very high | 45 Ų | 45 | 23.5 Ų | 23.5 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -11.7 | 174.8 | -55.3 | -49.5 | -50.9 | 0 | 0 | 113.2 | L100 L101 P298 | L100-Q103 WeakPolarHBondContact O-CA 3.38Å; L100-Q103 WeakPolarHBondContact O-CB 3.37Å; L100-Q103 PolarHBondContact O-N 3.01Å; L101-Q103 PolarHBondContact O-N 3.27Å; Q103-P298 HydrophobicContact CB-CG 4.23Å |
| 104 | F | 90.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -138.7 | 56.7 | -177.5 | -55.3 | -89.1 | 0 | 0 | 0 | 110.8 | V65 L100 L101 T106 S107 T170 I172 F296 P298 W300 L301 | V65-F104 HydrophobicContact CG1-CD2 4.27Å; V65-F104 HydrophobicContact CG1-CE2 4.07Å; V65-F104 HydrophobicContact CG1-CZ 4.37Å; V65-F104 HydrophobicContact CG2-CB 3.9Å; V65-F104 HydrophobicContact CG2-CD1 3.55Å; V65-F104 HydrophobicContact CG2-CD2 3.83Å; V65-F104 HydrophobicContact CG2-CE1 3.91Å; V65-F104 HydrophobicContact CG2-CE2 4.17Å; V65-F104 HydrophobicContact CG2-CG 3.52Å; V65-F104 HydrophobicContact CG2-CZ 4.21Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L101-F104 CarbonylContact O-C 3.48Å; L101-F104 PolarHBondContact O-N 3.03Å; F104-T106 VanDerWaalsContact C-N 3.27Å; F104-T106 PolarHBondContact O-N 2.87Å; F104-T106 VanDerWaalsContact O-N 3.13Å; F104-S107 WeakPolarHBondContact O-CB 3.3Å; F104-S107 PolarHBondContact O-N 3.11Å; F104-T170 HydrophobicContact CE1-CG2 4.28Å; F104-T170 HydrophobicContact CZ-CG2 4.17Å; F104-I172 HydrophobicContact CE2-CD1 3.79Å; F104-I172 HydrophobicContact CZ-CD1 3.89Å; F104-F296 AromaticContact CE2-CE1 3.98Å; F104-F296 HydrophobicContact CE2-CE1 3.98Å; F104-F296 HydrophobicContact CZ-CE1 4.09Å; F104-F296 HydrophobicContact CZ-CZ 4.47Å; F104-P298 HydrophobicContact CE1-CB 4.29Å; F104-P298 HydrophobicContact CE1-CG 3.96Å; F104-P298 HydrophobicContact CE2-CG 4.28Å; F104-P298 HydrophobicContact CZ-CB 4.07Å; F104-P298 HydrophobicContact CZ-CG 3.71Å; F104-W300 HydrophobicContact CE1-CZ2 4.36Å; F104-L301 HydrophobicContact CD1-CD1 3.37Å; F104-L301 HydrophobicContact CE1-CD1 3.34Å; F104-L301 HydrophobicContact CG-CD1 4.41Å; F104-L301 HydrophobicContact CZ-CD1 4.35Å |
| 105 | P | 86.6 | Confident | 93.1 | Very high | 74 Ų | 74 | 24.6 Ų | 24.6 | 48% | 0.481 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.5 | -164.3 | 23.7 | -35.1 | 0 | 0 | 0 | 114.8 | S55 L101 | S55-P105 WeakPolarHBondContact CB-O 3.49Å; L101-P105 WeakPolarHBondContact O-CA 3.49Å |
| 106 | T | 88.3 | Confident | 93 | Very high | 60 Ų | 60 | 26.2 Ų | 26.2 | 37% | 0.368 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 6 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | F61 D62 F104 | F61-T106 VanDerWaalsContact CA-O 3.29Å; F61-T106 WeakPolarHBondContact CA-O 3.32Å; D62-T106 PolarHBondContact N-O 3.07Å; D62-T106 WeakPolarHBondContact OD2-CB 3.42Å; D62-T106 PolarHBondContact OD2-OG1 3.15Å; F104-T106 VanDerWaalsContact C-N 3.27Å; F104-T106 PolarHBondContact O-N 2.87Å; F104-T106 VanDerWaalsContact O-N 3.13Å |
| 107 | S | 91.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -103.6 | 156.6 | -175.5 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | S63 F104 | S63-S107 WeakPolarHBondContact O-CA 3.39Å; S63-S107 WeakPolarHBondContact O-CB 3.41Å; S63-S107 WeakPolarHBondContact OG-CB 3.21Å; S63-S107 PolarHBondContact OG-OG 2.75Å; F104-S107 WeakPolarHBondContact O-CB 3.3Å; F104-S107 PolarHBondContact O-N 3.11Å |
| 108 | L | 92.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.8 | 165.8 | -177.9 | 57.8 | 0 | 0 | 0 | 108.5 | Y52 H54 F61 S63 L64 V65 F110 F162 | Y52-L108 HydrophobicContact CD2-CD1 3.94Å; H54-L108 HydrophobicContact CB-CD1 4.32Å; F61-L108 HydrophobicContact CB-CB 4.26Å; F61-L108 HydrophobicContact CD1-CB 4.28Å; F61-L108 HydrophobicContact CD2-CB 3.73Å; F61-L108 HydrophobicContact CD2-CD2 4.16Å; F61-L108 HydrophobicContact CD2-CG 4.39Å; F61-L108 HydrophobicContact CE2-CB 4.15Å; F61-L108 HydrophobicContact CE2-CD1 4.16Å; F61-L108 HydrophobicContact CE2-CD2 4.23Å; F61-L108 HydrophobicContact CE2-CG 4.42Å; F61-L108 HydrophobicContact CG-CB 3.81Å; F61-L108 HydrophobicContact CZ-CD1 4.35Å; S63-L108 PolarHBondContact O-N 2.83Å; L64-L108 CarbonylContact C-O 3.52Å; L64-L108 WeakPolarHBondContact CA-O 3.48Å; L64-L108 HydrophobicContact CD1-CB 4.15Å; L64-L108 HydrophobicContact CD1-CD2 4.16Å; L64-L108 HydrophobicContact CD1-CG 4.03Å; V65-L108 PolarHBondContact N-O 2.92Å; L108-F110 HydrophobicContact CD1-CE1 4.07Å; L108-F110 HydrophobicContact CD2-CE1 3.65Å; L108-F110 HydrophobicContact CD2-CZ 3.92Å; L108-F110 HydrophobicContact CG-CD1 4.16Å; L108-F110 HydrophobicContact CG-CE1 3.71Å; L108-F110 HydrophobicContact CG-CZ 4.42Å; L108-F162 HydrophobicContact CD1-CD2 4.23Å; L108-F162 HydrophobicContact CD1-CE2 3.69Å; L108-F162 HydrophobicContact CD2-CD2 3.75Å; L108-F162 HydrophobicContact CD2-CE2 4.09Å |
| 109 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 179.9 | -173.3 | 145.1 | 0 | 0 | 0 | 111.2 | Y52 C53 V65 A97 L100 L101 V111 | Y52-L109 CarbonylContact C-O 3.52Å; Y52-L109 VanDerWaalsContact CA-O 3.26Å; Y52-L109 WeakPolarHBondContact CA-O 3.49Å; C53-L109 PolarHBondContact N-O 3.08Å; C53-L109 PolarHBondContact O-N 3.27Å; V65-L109 HydrophobicContact CB-CB 4.31Å; V65-L109 HydrophobicContact CB-CD1 4.07Å; V65-L109 HydrophobicContact CB-CG 4.08Å; V65-L109 HydrophobicContact CG1-CD1 3.86Å; V65-L109 HydrophobicContact CG1-CG 4.18Å; V65-L109 CarbonylContact O-C 3.58Å; V65-L109 WeakPolarHBondContact O-CA 3.25Å; A97-L109 HydrophobicContact CB-CD2 4.03Å; L100-L109 HydrophobicContact CB-CD1 3.51Å; L100-L109 HydrophobicContact CD1-CD1 4.49Å; L101-L109 HydrophobicContact CD1-CB 4.26Å; L109-V111 HydrophobicContact CD2-CG2 3.71Å |
| 110 | F | 96.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.5 | 175.1 | -72.1 | -3.4 | 0 | 0 | 0 | 110.4 | I50 L51 Y52 L64 V65 V66 F67 L108 I153 A156 I157 | I50-F110 HydrophobicContact CG2-CB 4.01Å; I50-F110 HydrophobicContact CG2-CD1 4.31Å; I50-F110 HydrophobicContact CG2-CD2 4.48Å; I50-F110 HydrophobicContact CG2-CG 4.03Å; L51-F110 CarbonylContact O-C 3.58Å; L51-F110 WeakPolarHBondContact O-CA 3.41Å; Y52-F110 VanDerWaalsContact CB-CD1 3.43Å; Y52-F110 HydrophobicContact CG-CE1 4.29Å; L64-F110 HydrophobicContact CD1-CD1 4.19Å; L64-F110 HydrophobicContact CD1-CD2 3.89Å; L64-F110 HydrophobicContact CD1-CE1 4.29Å; L64-F110 HydrophobicContact CD1-CE2 3.96Å; L64-F110 HydrophobicContact CD1-CG 4.01Å; L64-F110 HydrophobicContact CD1-CZ 4.17Å; V65-F110 PolarHBondContact O-N 2.95Å; V66-F110 CarbonylContact C-O 3.52Å; V66-F110 WeakPolarHBondContact CA-O 3.21Å; F67-F110 PolarHBondContact N-O 3.22Å; L108-F110 HydrophobicContact CD1-CE1 4.07Å; L108-F110 HydrophobicContact CD2-CE1 3.65Å; L108-F110 HydrophobicContact CD2-CZ 3.92Å; L108-F110 HydrophobicContact CG-CD1 4.16Å; L108-F110 HydrophobicContact CG-CE1 3.71Å; L108-F110 HydrophobicContact CG-CZ 4.42Å; F110-I153 HydrophobicContact CE2-CG2 4.46Å; F110-A156 HydrophobicContact CD2-CB 4.26Å; F110-A156 HydrophobicContact CE2-CB 3.5Å; F110-A156 HydrophobicContact CZ-CB 3.74Å; F110-I157 HydrophobicContact CE2-CG1 4.2Å; F110-I157 HydrophobicContact CZ-CG1 3.95Å |
| 111 | V | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 114.1 | 166.5 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | I50 L51 F67 P69 L93 A97 L109 K113 | I50-V111 WeakPolarHBondContact CA-O 3.22Å; L51-V111 HydrophobicContact CB-CB 4.01Å; L51-V111 HydrophobicContact CB-CG2 4.49Å; L51-V111 PolarHBondContact N-O 2.85Å; L51-V111 PolarHBondContact O-N 3.17Å; F67-V111 HydrophobicContact CB-CG2 4.38Å; F67-V111 HydrophobicContact CD1-CB 4.45Å; F67-V111 HydrophobicContact CD1-CG1 3.85Å; F67-V111 HydrophobicContact CD1-CG2 4.03Å; F67-V111 WeakPolarHBondContact O-CA 3.45Å; P69-V111 HydrophobicContact CG-CG1 4.12Å; L93-V111 HydrophobicContact CD2-CG1 4.02Å; A97-V111 HydrophobicContact CB-CG2 3.83Å; L109-V111 HydrophobicContact CD2-CG2 3.71Å; V111-K113 PolarHBondContact O-N 2.91Å |
| 112 | V | 98 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 103.5 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | N48 I50 V66 F67 F68 P69 F128 L152 | N48-V112 HydrophobicContact CB-CG1 4.11Å; I50-V112 HydrophobicContact CG1-CG2 4.42Å; V66-V112 HydrophobicContact CG1-CG2 3.76Å; F67-V112 PolarHBondContact O-N 3.2Å; F68-V112 HydrophobicContact CD1-CB 3.91Å; F68-V112 HydrophobicContact CD1-CG1 4.29Å; F68-V112 HydrophobicContact CE1-CB 3.72Å; F68-V112 HydrophobicContact CE1-CG1 3.9Å; F68-V112 HydrophobicContact CE1-CG2 4.06Å; F68-V112 HydrophobicContact CZ-CG2 4.5Å; P69-V112 WeakPolarHBondContact CD-O 3.35Å; V112-F128 HydrophobicContact CG1-CE2 4.01Å; V112-F128 HydrophobicContact CG1-CZ 4.28Å; V112-L152 HydrophobicContact CG1-CD2 3.73Å; V112-L152 HydrophobicContact CG2-CD2 4.17Å |
| 113 | K | 97.2 | Very high | 92 | Very high | 25 Ų | 25 | 31 Ų | 31 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | trans | -60.9 | 141.7 | -178.6 | -165.1 | -178.9 | -161.9 | -64.9 | 0 | 110.8 | N48 D49 D74 Y75 L93 V111 S115 | N48-K113 PolarHBondContact ND2-O 3.2Å; D49-K113 HydrophobicContact CB-CB 4.14Å; D49-K113 HydrophobicContact CB-CD 4.09Å; D49-K113 VanDerWaalsContact O-CB 3.31Å; D49-K113 WeakPolarHBondContact O-CB 3.46Å; D49-K113 PolarHBondContact O-N 3.44Å; D74-K113 WeakPolarHBondContact OD1-CE 3.49Å; D74-K113 IonicContact OD1-NZ 3.93Å; D74-K113 PolarHBondContact OD1-NZ 2.88Å; D74-K113 IonicContact OD2-NZ 3.53Å; D74-K113 PolarHBondContact OD2-NZ 3.15Å; Y75-K113 HydrophobicContact CD2-CD 4.24Å; Y75-K113 VanDerWaalsContact CD2-CE 3.5Å; Y75-K113 HydrophobicContact CE2-CD 3.6Å; L93-K113 HydrophobicContact CD1-CD 4.37Å; L93-K113 HydrophobicContact CD1-CG 4.01Å; V111-K113 PolarHBondContact O-N 2.91Å; K113-S115 PolarHBondContact O-N 2.65Å | ||
| 114 | A | 96 | Very high | 92.3 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | trans | -59.3 | 133.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q116 V117 A123 Y125 | A114-Q116 PolarHBondContact O-N 2.87Å; A114-V117 HydrophobicContact CB-CG2 4.35Å; A114-A123 HydrophobicContact CB-CB 3.78Å; A114-Y125 HydrophobicContact CB-CD1 4.28Å; A114-Y125 HydrophobicContact CB-CD2 4.43Å; A114-Y125 HydrophobicContact CB-CE1 3.94Å; A114-Y125 HydrophobicContact CB-CE2 4.12Å | ||
| 115 | S | 94.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -62.5 | -14.2 | -174.9 | 44.2 | 0 | 0 | 0 | 0 | 114.9 | K113 C124 K126 N127 | K113-S115 PolarHBondContact O-N 2.65Å; S115-C124 PolarHBondContact N-O 2.65Å; S115-C124 PolarHBondContact OG-O 3.1Å; S115-K126 PolarHBondContact OG-N 3.48Å; S115-N127 WeakPolarHBondContact CB-ND2 3.24Å; S115-N127 PolarHBondContact OG-N 2.84Å |
| 116 | Q | 92.8 | Very high | 93 | Very high | 88 Ų | 88 | 28.8 Ų | 28.8 | 41% | 0.411 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 148 | 166.8 | 178.4 | 172 | 21.7 | 0 | 0 | 107.6 | A114 C124 | A114-Q116 PolarHBondContact O-N 2.87Å; Q116-C124 HydrophobicContact CB-CB 4.05Å; Q116-C124 PolarHBondContact N-O 2.84Å; Q116-C124 WeakPolarHBondContact O-CA 3.39Å; Q116-C124 WeakPolarHBondContact O-CB 3.45Å; Q116-C124 PolarHBondContact O-N 2.73Å |
| 117 | V | 90.9 | Very high | 93.4 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 112.2 | 167.3 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | D74 A114 G120 F122 | D74-V117 WeakPolarHBondContact OD2-CG2 3.43Å; A114-V117 HydrophobicContact CB-CG2 4.35Å; V117-G120 VanDerWaalsContact CG1-C 3.44Å; V117-F122 CarbonylContact C-O 3.52Å; V117-F122 WeakPolarHBondContact CA-O 2.69Å |
| 118 | T | 87.6 | Confident | 93.6 | Very high | 23 Ų | 23 | 27 Ų | 27 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.5 | -176 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | G120 T121 F122 H133 | T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.12Å; T118-T121 PolarHBondContact O-N 3.14Å; T118-T121 VanDerWaalsContact O-N 3.08Å; T118-F122 PolarHBondContact N-O 3.07Å; T118-F122 PolarHBondContact O-N 2.95Å; T118-H133 VanDerWaalsContact CB-O 3.27Å; T118-H133 WeakPolarHBondContact CB-O 3.37Å; T118-H133 WeakPolarHBondContact CG2-O 3.49Å; T118-H133 PolarHBondContact OG1-O 3.29Å |
| 119 | N | 86.3 | Confident | 93.8 | Very high | 128 Ų | 128 | 27 Ų | 27 | 68% | 0.684 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 27.2 | -176.2 | -60.3 | 11.2 | 0 | 0 | 0 | 113.7 | H82 T121 | H82-N119 PolarHBondContact NE2-O 3.36Å; N119-T121 PolarHBondContact O-N 2.79Å; N119-T121 VanDerWaalsContact O-N 3.09Å |
| 120 | G | 84.7 | Confident | 93.7 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | -6.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N85 V117 T118 | N85-G120 PolarHBondContact ND2-O 3.27Å; V117-G120 VanDerWaalsContact CG1-C 3.44Å; T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.12Å |
| 121 | T | 90.1 | Very high | 93.5 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 13% | 0.129 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -41.7 | -171.3 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | D71 V72 N85 T118 N119 | D71-T121 CarbonylContact C-O 3.58Å; D71-T121 VanDerWaalsContact CA-O 3.32Å; D71-T121 WeakPolarHBondContact CA-O 3.49Å; D71-T121 WeakPolarHBondContact CB-O 3.46Å; V72-T121 HydrophobicContact CG2-CG2 3.95Å; V72-T121 PolarHBondContact N-O 2.78Å; N85-T121 PolarHBondContact ND2-OG1 2.62Å; N85-T121 PolarHBondContact OD1-OG1 2.63Å; T118-T121 PolarHBondContact O-N 3.14Å; T118-T121 VanDerWaalsContact O-N 3.08Å; N119-T121 PolarHBondContact O-N 2.79Å; N119-T121 VanDerWaalsContact O-N 3.09Å |
| 122 | F | 91.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 25% | 0.254 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 107.9 | -169.1 | -59.7 | -66.6 | 0 | 0 | 0 | 113.3 | D71 V117 T118 C124 V134 | D71-F122 VanDerWaalsContact OD1-CA 3.28Å; D71-F122 WeakPolarHBondContact OD1-CA 3.5Å; V117-F122 CarbonylContact C-O 3.52Å; V117-F122 WeakPolarHBondContact CA-O 2.69Å; T118-F122 PolarHBondContact N-O 3.07Å; T118-F122 PolarHBondContact O-N 2.95Å; F122-C124 PolarHBondContact O-N 3.16Å; F122-C124 PolarHBondContact O-SG 3.46Å; F122-V134 HydrophobicContact CD2-CG1 4.09Å; F122-V134 HydrophobicContact CE2-CG1 4.43Å; F122-V134 HydrophobicContact CG-CB 4.44Å; F122-V134 HydrophobicContact CG-CG1 4.43Å |
| 123 | A | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G70 D71 A114 Y125 K176 | G70-A123 WeakPolarHBondContact O-CB 3.38Å; D71-A123 PolarHBondContact OD1-N 3.26Å; A114-A123 HydrophobicContact CB-CB 3.78Å; A123-Y125 HydrophobicContact CB-CE2 4.24Å; A123-K176 HydrophobicContact CB-CB 4.4Å; A123-K176 HydrophobicContact CB-CD 4.14Å; A123-K176 WeakPolarHBondContact O-CD 3.48Å; A123-K176 WeakPolarHBondContact O-CE 3.32Å |
| 124 | C | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 95 | -176 | -69.7 | 0 | 0 | 0 | 0 | 111 | S115 Q116 F122 K126 G135 | S115-C124 PolarHBondContact N-O 2.65Å; S115-C124 PolarHBondContact OG-O 3.1Å; Q116-C124 HydrophobicContact CB-CB 4.05Å; Q116-C124 PolarHBondContact N-O 2.84Å; Q116-C124 WeakPolarHBondContact O-CA 3.39Å; Q116-C124 WeakPolarHBondContact O-CB 3.45Å; Q116-C124 PolarHBondContact O-N 2.73Å; F122-C124 PolarHBondContact O-N 3.16Å; F122-C124 PolarHBondContact O-SG 3.46Å; C124-K126 HydrophobicContact CB-CG 4.4Å; C124-K126 PolarHBondContact O-N 3.35Å; C124-G135 PolarHBondContact SG-N 3.34Å; C124-G135 VanDerWaalsContact SG-N 3.44Å |
| 125 | Y | 96.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -75.7 | 44.7 | 178.9 | -73.4 | -76.4 | 0 | 0 | 0 | 114.2 | F68 P69 A114 A123 N127 F128 V129 V180 | F68-Y125 AromaticContact CD1-CE1 3.97Å; F68-Y125 HydrophobicContact CD1-CE1 3.97Å; P69-Y125 WeakPolarHBondContact CD-OH 3.43Å; P69-Y125 WeakPolarHBondContact CG-OH 3.39Å; P69-Y125 VanDerWaalsContact N-OH 3.12Å; P69-Y125 WeakPolarHBondContact O-CE2 3.33Å; P69-Y125 PolarHBondContact O-OH 2.99Å; A114-Y125 HydrophobicContact CB-CD1 4.28Å; A114-Y125 HydrophobicContact CB-CD2 4.43Å; A114-Y125 HydrophobicContact CB-CE1 3.94Å; A114-Y125 HydrophobicContact CB-CE2 4.12Å; A123-Y125 HydrophobicContact CB-CE2 4.24Å; Y125-N127 PolarHBondContact O-N 3.18Å; Y125-N127 VanDerWaalsContact O-N 3.07Å; Y125-F128 HydrophobicContact CD1-CD2 4.29Å; Y125-F128 CarbonylContact O-C 3.6Å; Y125-F128 WeakPolarHBondContact O-CA 3.36Å; Y125-F128 PolarHBondContact O-N 3.04Å; Y125-V129 PolarHBondContact O-N 2.87Å; Y125-V180 HydrophobicContact CD1-CG2 3.55Å; Y125-V180 HydrophobicContact CD2-CG2 3.94Å; Y125-V180 HydrophobicContact CE1-CG2 4.06Å; Y125-V180 HydrophobicContact CE2-CG2 4.4Å; Y125-V180 HydrophobicContact CG-CG2 3.48Å; Y125-V180 VanDerWaalsContact CG-CG2 3.48Å | ||
| 126 | K | 94.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.7 | -176.9 | -72.4 | 177.2 | 177.9 | 172.7 | 0 | 115 | S115 C124 F128 V129 S131 Y143 | S115-K126 PolarHBondContact OG-N 3.48Å; C124-K126 HydrophobicContact CB-CG 4.4Å; C124-K126 PolarHBondContact O-N 3.35Å; K126-F128 VanDerWaalsContact C-N 3.34Å; K126-V129 WeakPolarHBondContact CA-O 3.41Å; K126-S131 WeakPolarHBondContact CG-OG 3.39Å; K126-Y143 WeakPolarHBondContact O-CE1 3.35Å; K126-Y143 PolarHBondContact O-OH 3.49Å |
| 127 | N | 96.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.8 | 175.1 | -69.3 | -21.2 | 0 | 0 | 0 | 114.2 | R46 R47 N48 S115 Y125 H148 | R46-N127 HydrophobicContact CB-CB 4.11Å; R46-N127 VanDerWaalsContact CD-O 3.3Å; R46-N127 WeakPolarHBondContact CD-O 3.48Å; R46-N127 HydrophobicContact CG-CB 4.38Å; R46-N127 PolarHBondContact NH1-O 3.21Å; R47-N127 PolarHBondContact N-ND2 3.36Å; R47-N127 PolarHBondContact O-ND2 3.43Å; N48-N127 WeakPolarHBondContact OD1-CB 3.37Å; N48-N127 PolarHBondContact OD1-ND2 2.96Å; S115-N127 WeakPolarHBondContact CB-ND2 3.24Å; S115-N127 PolarHBondContact OG-N 2.84Å; Y125-N127 PolarHBondContact O-N 3.18Å; Y125-N127 VanDerWaalsContact O-N 3.07Å; N127-H148 WeakPolarHBondContact CB-NE2 3.06Å |
| 128 | F | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -29.4 | 176.1 | -70.2 | -91.3 | 0 | 0 | 0 | 112.9 | F68 V112 Y125 K126 Y143 S145 H148 L149 L152 V180 Q183 | F68-F128 HydrophobicContact CE1-CE1 4.21Å; F68-F128 HydrophobicContact CE1-CE2 4.09Å; F68-F128 AromaticContact CE1-CZ 3.83Å; F68-F128 HydrophobicContact CE1-CZ 3.83Å; F68-F128 HydrophobicContact CZ-CE1 4.33Å; F68-F128 HydrophobicContact CZ-CZ 4.29Å; V112-F128 HydrophobicContact CG1-CE2 4.01Å; V112-F128 HydrophobicContact CG1-CZ 4.28Å; Y125-F128 HydrophobicContact CD1-CD2 4.29Å; Y125-F128 CarbonylContact O-C 3.6Å; Y125-F128 WeakPolarHBondContact O-CA 3.36Å; Y125-F128 PolarHBondContact O-N 3.04Å; K126-F128 VanDerWaalsContact C-N 3.34Å; F128-Y143 WeakPolarHBondContact O-CD1 3.49Å; F128-S145 PolarHBondContact O-OG 2.79Å; F128-H148 AromaticContact CD1-CD2 3.98Å; F128-H148 AromaticContact CD2-CD2 3.91Å; F128-H148 AromaticContact CE1-CD2 3.69Å; F128-H148 AromaticContact CE2-CD2 3.61Å; F128-H148 AromaticContact CE2-NE2 3.74Å; F128-H148 AromaticContact CZ-CD2 3.5Å; F128-H148 VanDerWaalsContact CZ-CD2 3.5Å; F128-H148 WeakPolarHBondContact CZ-CD2 3.48Å; F128-H148 AromaticContact CZ-NE2 3.95Å; F128-L149 HydrophobicContact CE1-CB 4.13Å; F128-L149 HydrophobicContact CE1-CD1 4.24Å; F128-L149 HydrophobicContact CZ-CD1 4.42Å; F128-L152 HydrophobicContact CZ-CD2 4.42Å; F128-V180 HydrophobicContact CB-CG1 4.01Å; F128-V180 HydrophobicContact CB-CG2 4.14Å; F128-V180 HydrophobicContact CD1-CG1 3.55Å; F128-V180 HydrophobicContact CE1-CG1 4.11Å; F128-V180 HydrophobicContact CG-CG1 3.78Å; F128-V180 HydrophobicContact CG-CG2 4.3Å; F128-Q183 WeakPolarHBondContact O-CG 3.45Å |
| 129 | V | 96 | Very high | 91.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -147.6 | 143.3 | -179.3 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | Y125 K126 S131 P137 F139 V179 Q183 | Y125-V129 PolarHBondContact O-N 2.87Å; K126-V129 WeakPolarHBondContact CA-O 3.41Å; V129-S131 PolarHBondContact O-N 3.21Å; V129-S131 PolarHBondContact O-OG 3.27Å; V129-P137 HydrophobicContact CG1-CB 4.24Å; V129-P137 HydrophobicContact CG2-CB 4.04Å; V129-F139 HydrophobicContact CG2-CD1 4.08Å; V129-F139 HydrophobicContact CG2-CE1 4.37Å; V129-V179 HydrophobicContact CG1-CG1 3.79Å; V129-Q183 HydrophobicContact CB-CB 4.22Å; V129-Q183 HydrophobicContact CB-CG 4.07Å; V129-Q183 HydrophobicContact CG2-CB 4.03Å; V129-Q183 HydrophobicContact CG2-CG 3.92Å |
| 130 | T | 93.9 | Very high | 92.2 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 127.1 | 164.3 | -7.5 | 0 | 0 | 0 | 0 | 109.5 | P137 Q138 Y143 | T130-P137 CarbonylContact O-C 3.58Å; T130-P137 WeakPolarHBondContact O-CA 3.41Å; T130-Q138 PolarHBondContact O-N 2.75Å; T130-Q138 PolarHBondContact OG1-O 3.43Å; T130-Y143 HydrophobicContact CG2-CE2 4.25Å |
| 131 | S | 91.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 152.5 | -176.1 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | K126 V129 I136 | K126-S131 WeakPolarHBondContact CG-OG 3.39Å; V129-S131 PolarHBondContact O-N 3.21Å; V129-S131 PolarHBondContact O-OG 3.27Å; S131-I136 VanDerWaalsContact CA-O 3.22Å; S131-I136 WeakPolarHBondContact CA-O 3.34Å; S131-I136 WeakPolarHBondContact CB-O 3.28Å |
| 132 | N | 89.4 | Confident | 92.7 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | trans | -75.2 | -176.7 | 174.8 | 79.6 | -7.2 | 0 | 0 | 0 | 112 | V134 G135 I136 | N132-V134 PolarHBondContact O-N 2.72Å; N132-V134 WeakPolarHBondContact OD1-CG2 3.42Å; N132-V134 PolarHBondContact OD1-N 3.23Å; N132-V134 VanDerWaalsContact OD1-N 3.08Å; N132-G135 PolarHBondContact O-N 3.02Å; N132-G135 PolarHBondContact OD1-N 2.89Å; N132-G135 VanDerWaalsContact OD1-N 3.17Å; N132-I136 PolarHBondContact N-O 3.36Å; N132-I136 VanDerWaalsContact N-O 3.08Å; N132-I136 PolarHBondContact OD1-N 3.01Å | ||
| 133 | H | 85.5 | Confident | 92.8 | Very high | 127 Ų | 127 | 45.3 Ų | 45.3 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.4 | -179.1 | 26.8 | -101.9 | 0 | 0 | 0 | 114.7 | T118 | T118-H133 VanDerWaalsContact CB-O 3.27Å; T118-H133 WeakPolarHBondContact CB-O 3.37Å; T118-H133 WeakPolarHBondContact CG2-O 3.49Å; T118-H133 PolarHBondContact OG1-O 3.29Å |
| 134 | V | 84.1 | Confident | 92.9 | Very high | 44 Ų | 44 | 46.1 Ų | 46.1 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 26.2 | 177.7 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | F122 N132 I136 K176 | F122-V134 HydrophobicContact CD2-CG1 4.09Å; F122-V134 HydrophobicContact CE2-CG1 4.43Å; F122-V134 HydrophobicContact CG-CB 4.44Å; F122-V134 HydrophobicContact CG-CG1 4.43Å; N132-V134 PolarHBondContact O-N 2.72Å; N132-V134 WeakPolarHBondContact OD1-CG2 3.42Å; N132-V134 PolarHBondContact OD1-N 3.23Å; N132-V134 VanDerWaalsContact OD1-N 3.08Å; V134-I136 VanDerWaalsContact C-N 3.32Å; V134-I136 HydrophobicContact CG2-CD1 4.26Å; V134-I136 HydrophobicContact CG2-CG1 4.27Å; V134-I136 PolarHBondContact O-N 2.89Å; V134-K176 VanDerWaalsContact O-CE 3.32Å; V134-K176 WeakPolarHBondContact O-CE 3.33Å; V134-K176 PolarHBondContact O-NZ 2.93Å |
| 135 | G | 87.4 | Confident | 93 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | 63.6 | 31.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C124 N132 K176 | C124-G135 PolarHBondContact SG-N 3.34Å; C124-G135 VanDerWaalsContact SG-N 3.44Å; N132-G135 PolarHBondContact O-N 3.02Å; N132-G135 PolarHBondContact OD1-N 2.89Å; N132-G135 VanDerWaalsContact OD1-N 3.17Å; G135-K176 PolarHBondContact O-NZ 2.74Å | ||
| 136 | I | 90.7 | Very high | 93 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -82.8 | 126 | 165.8 | -59.5 | 176 | 0 | 0 | 0 | 107.6 | S131 N132 V134 A213 | S131-I136 VanDerWaalsContact CA-O 3.22Å; S131-I136 WeakPolarHBondContact CA-O 3.34Å; S131-I136 WeakPolarHBondContact CB-O 3.28Å; N132-I136 PolarHBondContact N-O 3.36Å; N132-I136 VanDerWaalsContact N-O 3.08Å; N132-I136 PolarHBondContact OD1-N 3.01Å; V134-I136 VanDerWaalsContact C-N 3.32Å; V134-I136 HydrophobicContact CG2-CD1 4.26Å; V134-I136 HydrophobicContact CG2-CG1 4.27Å; V134-I136 PolarHBondContact O-N 2.89Å; I136-A213 HydrophobicContact CD1-CB 4Å; I136-A213 HydrophobicContact CG1-CB 4.27Å | ||
| 137 | P | 94.2 | Very high | 93 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 155.7 | -174.7 | 29.6 | -35.1 | 0 | 0 | 0 | 114.7 | V129 T130 F139 V179 | V129-P137 HydrophobicContact CG1-CB 4.24Å; V129-P137 HydrophobicContact CG2-CB 4.04Å; T130-P137 CarbonylContact O-C 3.58Å; T130-P137 WeakPolarHBondContact O-CA 3.41Å; P137-F139 HydrophobicContact CB-CD1 4.45Å; P137-F139 HydrophobicContact CB-CD2 4.34Å; P137-F139 HydrophobicContact CB-CE1 3.97Å; P137-F139 HydrophobicContact CB-CE2 3.83Å; P137-F139 HydrophobicContact CB-CZ 3.65Å; P137-F139 HydrophobicContact CG-CD2 4.39Å; P137-F139 HydrophobicContact CG-CE1 4.26Å; P137-F139 HydrophobicContact CG-CE2 3.51Å; P137-F139 HydrophobicContact CG-CZ 3.44Å; P137-F139 VanDerWaalsContact CG-CZ 3.44Å; P137-V179 HydrophobicContact CB-CG1 3.5Å; P137-V179 VanDerWaalsContact CB-CG1 3.5Å; P137-V179 HydrophobicContact CG-CG1 3.7Å; P137-V179 HydrophobicContact CG-CG2 4.19Å |
| 138 | Q | 93.2 | Very high | 93 | Very high | 145 Ų | 145 | 44.8 Ų | 44.8 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 98 | 160.5 | -173.6 | 173.8 | 8.4 | 0 | 0 | 108.2 | T130 | T130-Q138 PolarHBondContact O-N 2.75Å; T130-Q138 PolarHBondContact OG1-O 3.43Å |
| 139 | F | 94.6 | Very high | 93 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | trans | -68.2 | 152.5 | -174.8 | -60.4 | -73.7 | 0 | 0 | 0 | 112.9 | V129 P137 V179 N182 Q183 Y186 S217 | V129-F139 HydrophobicContact CG2-CD1 4.08Å; V129-F139 HydrophobicContact CG2-CE1 4.37Å; P137-F139 HydrophobicContact CB-CD1 4.45Å; P137-F139 HydrophobicContact CB-CD2 4.34Å; P137-F139 HydrophobicContact CB-CE1 3.97Å; P137-F139 HydrophobicContact CB-CE2 3.83Å; P137-F139 HydrophobicContact CB-CZ 3.65Å; P137-F139 HydrophobicContact CG-CD2 4.39Å; P137-F139 HydrophobicContact CG-CE1 4.26Å; P137-F139 HydrophobicContact CG-CE2 3.51Å; P137-F139 HydrophobicContact CG-CZ 3.44Å; P137-F139 VanDerWaalsContact CG-CZ 3.44Å; F139-V179 HydrophobicContact CE1-CG1 4.06Å; F139-V179 WeakPolarHBondContact CE1-O 3.44Å; F139-V179 HydrophobicContact CZ-CG1 4.11Å; F139-N182 HydrophobicContact CD1-CB 4.41Å; F139-N182 HydrophobicContact CE1-CB 3.54Å; F139-N182 HydrophobicContact CZ-CB 3.67Å; F139-Q183 VanDerWaalsContact CA-OE1 3.26Å; F139-Q183 HydrophobicContact CD1-CB 3.81Å; F139-Q183 HydrophobicContact CE1-CB 4.04Å; F139-Y186 HydrophobicContact CB-CD1 4Å; F139-Y186 HydrophobicContact CB-CD2 3.58Å; F139-Y186 HydrophobicContact CB-CE1 3.99Å; F139-Y186 HydrophobicContact CB-CE2 3.54Å; F139-Y186 HydrophobicContact CB-CG 3.82Å; F139-Y186 HydrophobicContact CD1-CD2 4.04Å; F139-Y186 HydrophobicContact CD1-CE2 4.31Å; F139-Y186 AromaticContact CD2-CE2 3.99Å; F139-Y186 HydrophobicContact CD2-CE2 3.99Å; F139-Y186 AromaticContact CG-CD2 3.8Å; F139-Y186 HydrophobicContact CG-CD2 3.8Å; F139-Y186 AromaticContact CG-CE2 3.69Å; F139-Y186 HydrophobicContact CG-CE2 3.69Å; F139-Y186 HydrophobicContact CG-CG 4.48Å; F139-S217 VanDerWaalsContact CE2-CB 3.49Å; F139-S217 WeakPolarHBondContact CE2-O 3.36Å | ||
| 140 | S | 94.4 | Very high | 93 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | trans | -155.8 | 160.7 | 177.6 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | N142 Q183 | S140-N142 VanDerWaalsContact C-N 3.31Å; S140-N142 PolarHBondContact O-N 3.21Å; S140-Q183 PolarHBondContact O-NE2 3.3Å; S140-Q183 PolarHBondContact O-OE1 2.93Å | ||
| 141 | D | 93.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.7 | -175.7 | -59.1 | -28 | 0 | 0 | 0 | 113.7 | R225 | D141-R225 IonicContact OD1-CZ 3.95Å; D141-R225 IonicContact OD1-NH1 2.79Å; D141-R225 PolarHBondContact OD1-NH1 2.83Å; D141-R225 IonicContact OD1-NH2 3.12Å; D141-R225 PolarHBondContact OD1-NH2 3.2Å; D141-R225 IonicContact OD2-NH2 3.42Å; D141-R225 PolarHBondContact OD2-NH2 2.91Å; D141-R225 VanDerWaalsContact OD2-NH2 3.12Å |
| 142 | N | 91.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 45.3 Ų | 45.3 | 73% | 0.727 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 20.6 | -163.4 | -61.9 | 63.7 | 0 | 0 | 0 | 114.2 | S140 G144 | S140-N142 VanDerWaalsContact C-N 3.31Å; S140-N142 PolarHBondContact O-N 3.21Å; N142-G144 VanDerWaalsContact C-N 3.25Å; N142-G144 PolarHBondContact O-N 3.4Å |
| 143 | Y | 94.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 43 Ų | 43 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73.7 | -14.6 | -176.8 | -158 | -104.5 | 0 | 0 | 0 | 113.7 | R46 K126 F128 T130 E187 | R46-Y143 VanDerWaalsContact CZ-O 3.31Å; R46-Y143 PolarHBondContact NH1-O 3.03Å; R46-Y143 PolarHBondContact NH2-O 2.92Å; K126-Y143 WeakPolarHBondContact O-CE1 3.35Å; K126-Y143 PolarHBondContact O-OH 3.49Å; F128-Y143 WeakPolarHBondContact O-CD1 3.49Å; T130-Y143 HydrophobicContact CG2-CE2 4.25Å; Y143-E187 VanDerWaalsContact C-OE1 3.3Å; Y143-E187 VanDerWaalsContact CA-OE1 3.27Å; Y143-E187 WeakPolarHBondContact CA-OE1 3.35Å; Y143-E187 WeakPolarHBondContact CB-OE1 3.16Å; Y143-E187 PolarHBondContact N-OE1 2.89Å; Y143-E187 VanDerWaalsContact N-OE1 3.11Å |
| 144 | G | 95.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | trans | 77.6 | 31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N43 N142 H148 E187 | N43-G144 PolarHBondContact ND2-O 3.25Å; N43-G144 VanDerWaalsContact ND2-O 3.14Å; N142-G144 VanDerWaalsContact C-N 3.25Å; N142-G144 PolarHBondContact O-N 3.4Å; G144-H148 WeakPolarHBondContact O-CB 3.47Å; G144-H148 PolarHBondContact O-N 2.89Å; G144-E187 PolarHBondContact N-OE1 3.25Å; G144-E187 PolarHBondContact N-OE2 2.93Å | ||
| 145 | S | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.1 | -37 | -175.1 | -47 | 0 | 0 | 0 | 0 | 112.2 | F128 H148 L149 E187 | F128-S145 PolarHBondContact O-OG 2.79Å; S145-H148 WeakPolarHBondContact O-CB 3.34Å; S145-H148 PolarHBondContact O-N 3.04Å; S145-L149 PolarHBondContact O-N 2.85Å; S145-E187 VanDerWaalsContact CB-OE1 3.26Å; S145-E187 WeakPolarHBondContact CB-OE1 3.48Å; S145-E187 WeakPolarHBondContact CB-OE2 3.37Å; S145-E187 VanDerWaalsContact N-CD 3.32Å; S145-E187 PolarHBondContact N-OE1 3.26Å; S145-E187 PolarHBondContact N-OE2 3.36Å; S145-E187 PolarHBondContact OG-OE1 3.45Å |
| 146 | W | 96.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -52.1 | 172.1 | -80.9 | 103.7 | 0 | 0 | 0 | 112 | H148 L149 E150 L171 L184 E187 L188 A191 F198 I199 I202 M233 | W146-H148 PolarHBondContact O-N 3.13Å; W146-L149 HydrophobicContact CZ3-CD2 4.44Å; W146-L149 PolarHBondContact O-N 3Å; W146-L149 VanDerWaalsContact O-N 3.14Å; W146-E150 WeakPolarHBondContact O-CB 3.37Å; W146-E150 PolarHBondContact O-N 2.65Å; W146-L171 HydrophobicContact CH2-CD1 4.47Å; W146-L184 HydrophobicContact CD2-CD2 3.68Å; W146-L184 HydrophobicContact CE3-CD2 4.13Å; W146-L184 HydrophobicContact CG-CD2 3.87Å; W146-L184 HydrophobicContact CH2-CB 4.47Å; W146-L184 HydrophobicContact CZ2-CB 3.74Å; W146-L184 HydrophobicContact CZ2-CD2 4.23Å; W146-L184 HydrophobicContact CZ2-CG 4.42Å; W146-L184 PolarHBondContact NE1-O 3.28Å; W146-E187 PolarHBondContact N-OE2 3.08Å; W146-L188 HydrophobicContact CZ2-CD1 4.03Å; W146-A191 HydrophobicContact CB-CB 3.76Å; W146-A191 HydrophobicContact CG-CB 3.58Å; W146-F198 HydrophobicContact CE3-CD1 4.22Å; W146-F198 AromaticContact CE3-CE1 3.88Å; W146-F198 HydrophobicContact CE3-CE1 3.88Å; W146-F198 HydrophobicContact CZ3-CE1 4.09Å; W146-I199 HydrophobicContact CD2-CD1 4.19Å; W146-I199 HydrophobicContact CD2-CG1 3.95Å; W146-I199 HydrophobicContact CE3-CD1 4.39Å; W146-I199 HydrophobicContact CE3-CG1 3.66Å; W146-I199 HydrophobicContact CG-CD1 4.38Å; W146-I199 HydrophobicContact CH2-CG2 4.12Å; W146-I199 HydrophobicContact CZ2-CG2 4.37Å; W146-I199 HydrophobicContact CZ3-CB 4.5Å; W146-I199 HydrophobicContact CZ3-CG1 3.97Å; W146-I199 HydrophobicContact CZ3-CG2 4.27Å; W146-I202 HydrophobicContact CH2-CD1 4.5Å; W146-I202 HydrophobicContact CH2-CG1 4.02Å; W146-I202 HydrophobicContact CZ3-CD1 4.11Å; W146-I202 HydrophobicContact CZ3-CG1 3.92Å; W146-M233 HydrophobicContact CH2-CE 3.67Å; W146-M233 HydrophobicContact CZ2-CE 3.93Å |
| 147 | K | 95.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.7 | -32.8 | 173.2 | -76.1 | 177.9 | 171.3 | 167.3 | 0 | 112.3 | N43 S151 E194 | N43-K147 HydrophobicContact CB-CB 4.32Å; K147-S151 VanDerWaalsContact O-CB 3.32Å; K147-S151 WeakPolarHBondContact O-CB 3.47Å; K147-S151 PolarHBondContact O-N 3.49Å; K147-S151 VanDerWaalsContact O-N 3.12Å; K147-S151 PolarHBondContact O-OG 2.91Å; K147-E194 VanDerWaalsContact CE-OE2 3.22Å; K147-E194 WeakPolarHBondContact CE-OE2 3.43Å; K147-E194 IonicContact NZ-OE1 2.77Å; K147-E194 PolarHBondContact NZ-OE1 3.1Å; K147-E194 IonicContact NZ-OE2 3.26Å; K147-E194 PolarHBondContact NZ-OE2 3.01Å |
| 148 | H | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 175.3 | -173.4 | 56.6 | 0 | 0 | 0 | 111.1 | N43 R46 N48 N127 F128 G144 S145 W146 S151 L152 | N43-H148 VanDerWaalsContact CB-CA 3.49Å; N43-H148 HydrophobicContact CB-CB 3.87Å; N43-H148 PolarHBondContact N-ND1 3.01Å; R46-H148 WeakPolarHBondContact CB-CE1 3.2Å; N48-H148 PolarHBondContact OD1-NE2 2.97Å; N127-H148 WeakPolarHBondContact CB-NE2 3.06Å; F128-H148 AromaticContact CD1-CD2 3.98Å; F128-H148 AromaticContact CD2-CD2 3.91Å; F128-H148 AromaticContact CE1-CD2 3.69Å; F128-H148 AromaticContact CE2-CD2 3.61Å; F128-H148 AromaticContact CE2-NE2 3.74Å; F128-H148 AromaticContact CZ-CD2 3.5Å; F128-H148 VanDerWaalsContact CZ-CD2 3.5Å; F128-H148 WeakPolarHBondContact CZ-CD2 3.48Å; F128-H148 AromaticContact CZ-NE2 3.95Å; G144-H148 WeakPolarHBondContact O-CB 3.47Å; G144-H148 PolarHBondContact O-N 2.89Å; S145-H148 WeakPolarHBondContact O-CB 3.34Å; S145-H148 PolarHBondContact O-N 3.04Å; W146-H148 PolarHBondContact O-N 3.13Å; H148-S151 PolarHBondContact O-N 3.26Å; H148-L152 WeakPolarHBondContact O-CB 3.3Å; H148-L152 PolarHBondContact O-N 3.13Å |
| 149 | L | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 176.7 | -173.1 | 58.5 | 0 | 0 | 0 | 112.8 | V66 F68 F128 S145 W146 S151 L152 I153 L171 L184 F198 | V66-L149 HydrophobicContact CG1-CD1 4.37Å; F68-L149 HydrophobicContact CZ-CD1 4Å; F128-L149 HydrophobicContact CE1-CB 4.13Å; F128-L149 HydrophobicContact CE1-CD1 4.24Å; F128-L149 HydrophobicContact CZ-CD1 4.42Å; S145-L149 PolarHBondContact O-N 2.85Å; W146-L149 HydrophobicContact CZ3-CD2 4.44Å; W146-L149 PolarHBondContact O-N 3Å; W146-L149 VanDerWaalsContact O-N 3.14Å; L149-S151 VanDerWaalsContact C-N 3.34Å; L149-S151 PolarHBondContact O-N 3.15Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 2.8Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L149-I153 HydrophobicContact CD1-CD1 3.9Å; L149-I153 HydrophobicContact CD1-CG1 4.25Å; L149-I153 HydrophobicContact CG-CD1 3.96Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.42Å; L149-L171 HydrophobicContact CD2-CD1 4.39Å; L149-L171 HydrophobicContact CD2-CD2 4.14Å; L149-L184 HydrophobicContact CD2-CD1 4.08Å; L149-F198 HydrophobicContact CB-CE1 4.47Å; L149-F198 HydrophobicContact CD2-CE1 4.34Å; L149-F198 HydrophobicContact CD2-CZ 4.27Å; L149-F198 HydrophobicContact CG-CE1 4.3Å; L149-F198 HydrophobicContact CG-CZ 4.04Å |
| 150 | E | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 177.8 | -176.8 | 171.8 | -158.1 | 0 | 0 | 111.1 | W146 A154 S195 F198 | W146-E150 WeakPolarHBondContact O-CB 3.37Å; W146-E150 PolarHBondContact O-N 2.65Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 3.38Å; E150-A154 VanDerWaalsContact O-N 3.13Å; E150-S195 VanDerWaalsContact OE2-CB 3.26Å; E150-S195 WeakPolarHBondContact OE2-CB 3.23Å; E150-S195 PolarHBondContact OE2-OG 3.47Å; E150-F198 HydrophobicContact CB-CD1 3.68Å; E150-F198 HydrophobicContact CB-CD2 4.31Å; E150-F198 HydrophobicContact CB-CE1 3.83Å; E150-F198 HydrophobicContact CB-CE2 4.44Å; E150-F198 HydrophobicContact CB-CG 3.94Å; E150-F198 HydrophobicContact CB-CZ 4.23Å; E150-F198 HydrophobicContact CG-CB 3.98Å; E150-F198 HydrophobicContact CG-CD1 3.95Å; E150-F198 HydrophobicContact CG-CD2 4.05Å; E150-F198 HydrophobicContact CG-CG 3.71Å; E150-F198 VanDerWaalsContact OE1-CB 3.31Å; E150-F198 WeakPolarHBondContact OE1-CB 3.2Å |
| 151 | S | 95.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | K147 H148 L149 N155 | K147-S151 VanDerWaalsContact O-CB 3.32Å; K147-S151 WeakPolarHBondContact O-CB 3.47Å; K147-S151 PolarHBondContact O-N 3.49Å; K147-S151 VanDerWaalsContact O-N 3.12Å; K147-S151 PolarHBondContact O-OG 2.91Å; H148-S151 PolarHBondContact O-N 3.26Å; L149-S151 VanDerWaalsContact C-N 3.34Å; L149-S151 PolarHBondContact O-N 3.15Å; S151-N155 WeakPolarHBondContact O-CB 3.35Å; S151-N155 VanDerWaalsContact O-CG 3.3Å; S151-N155 PolarHBondContact O-N 3.45Å; S151-N155 VanDerWaalsContact O-N 3.09Å; S151-N155 PolarHBondContact O-ND2 2.89Å |
| 152 | L | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | -177.1 | -144.9 | 83.6 | 0 | 0 | 0 | 111.2 | V40 N48 I50 V112 F128 H148 L149 A156 | V40-L152 HydrophobicContact CG1-CD1 4.41Å; V40-L152 HydrophobicContact CG1-CG 4.25Å; N48-L152 HydrophobicContact CB-CD1 4.23Å; N48-L152 HydrophobicContact CB-CD2 4.07Å; I50-L152 HydrophobicContact CD1-CD2 3.73Å; I50-L152 HydrophobicContact CD1-CG 3.9Å; I50-L152 HydrophobicContact CG1-CD2 4.17Å; V112-L152 HydrophobicContact CG1-CD2 3.73Å; V112-L152 HydrophobicContact CG2-CD2 4.17Å; F128-L152 HydrophobicContact CZ-CD2 4.42Å; H148-L152 WeakPolarHBondContact O-CB 3.3Å; H148-L152 PolarHBondContact O-N 3.13Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 2.8Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.14Å |
| 153 | I | 94.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -46 | 179.4 | -69.4 | 172.1 | 0 | 0 | 0 | 110.8 | L64 V66 F110 L149 N155 A156 I157 I169 F198 | L64-I153 HydrophobicContact CD2-CD1 4.08Å; L64-I153 HydrophobicContact CD2-CG1 4.32Å; L64-I153 HydrophobicContact CD2-CG2 3.5Å; L64-I153 VanDerWaalsContact CD2-CG2 3.5Å; V66-I153 HydrophobicContact CG2-CD1 3.91Å; V66-I153 HydrophobicContact CG2-CG1 4.46Å; F110-I153 HydrophobicContact CE2-CG2 4.46Å; L149-I153 HydrophobicContact CD1-CD1 3.9Å; L149-I153 HydrophobicContact CD1-CG1 4.25Å; L149-I153 HydrophobicContact CG-CD1 3.96Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.42Å; I153-N155 PolarHBondContact O-N 3.19Å; I153-A156 PolarHBondContact O-N 3.49Å; I153-I157 HydrophobicContact CG2-CD1 3.72Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 WeakPolarHBondContact O-CG1 3.48Å; I153-I157 PolarHBondContact O-N 3.38Å; I153-I169 HydrophobicContact CD1-CD1 4.33Å; I153-F198 HydrophobicContact CD1-CE2 4.07Å; I153-F198 HydrophobicContact CD1-CZ 3.9Å |
| 154 | A | 92.6 | Very high | 89.3 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | E150 A156 I157 E158 | E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 3.38Å; E150-A154 VanDerWaalsContact O-N 3.13Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.84Å; A154-I157 PolarHBondContact O-N 2.59Å; A154-E158 PolarHBondContact O-N 3.03Å |
| 155 | N | 94.2 | Very high | 87.8 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -31.7 | 178.9 | -68.3 | -42.9 | 0 | 0 | 0 | 112.5 | V40 H41 S151 I153 Q159 | V40-N155 HydrophobicContact CG1-CB 3.96Å; H41-N155 WeakPolarHBondContact CB-ND2 3.19Å; H41-N155 PolarHBondContact O-ND2 2.82Å; S151-N155 WeakPolarHBondContact O-CB 3.35Å; S151-N155 VanDerWaalsContact O-CG 3.3Å; S151-N155 PolarHBondContact O-N 3.45Å; S151-N155 VanDerWaalsContact O-N 3.09Å; S151-N155 PolarHBondContact O-ND2 2.89Å; I153-N155 PolarHBondContact O-N 3.19Å; N155-Q159 WeakPolarHBondContact O-CB 3.23Å; N155-Q159 VanDerWaalsContact O-CG 3.22Å; N155-Q159 WeakPolarHBondContact O-CG 3.25Å; N155-Q159 PolarHBondContact O-N 3.24Å |
| 156 | A | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L37 V40 I50 F110 L152 I153 A154 Q159 S160 | L37-A156 HydrophobicContact CD1-CB 4.2Å; V40-A156 HydrophobicContact CG1-CB 4.29Å; I50-A156 HydrophobicContact CD1-CB 3.74Å; F110-A156 HydrophobicContact CD2-CB 4.26Å; F110-A156 HydrophobicContact CE2-CB 3.5Å; F110-A156 HydrophobicContact CZ-CB 3.74Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.14Å; I153-A156 PolarHBondContact O-N 3.49Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.84Å; A156-Q159 PolarHBondContact O-N 2.84Å; A156-S160 WeakPolarHBondContact O-CB 3.44Å; A156-S160 PolarHBondContact O-N 3.28Å; A156-S160 PolarHBondContact O-OG 2.96Å; A156-S160 VanDerWaalsContact O-OG 3.1Å |
| 157 | I | 91.3 | Very high | 86.7 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 174.9 | -68.7 | 171.2 | 0 | 0 | 0 | 109.6 | F110 I153 A154 Q159 S160 R161 | F110-I157 HydrophobicContact CE2-CG1 4.2Å; F110-I157 HydrophobicContact CZ-CG1 3.95Å; I153-I157 HydrophobicContact CG2-CD1 3.72Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 WeakPolarHBondContact O-CG1 3.48Å; I153-I157 PolarHBondContact O-N 3.38Å; A154-I157 PolarHBondContact O-N 2.59Å; I157-Q159 PolarHBondContact O-N 2.87Å; I157-S160 WeakPolarHBondContact CA-OG 3.31Å; I157-S160 PolarHBondContact O-N 3.01Å; I157-S160 PolarHBondContact O-OG 2.83Å; I157-R161 PolarHBondContact O-N 2.79Å; I157-R161 VanDerWaalsContact O-N 3.15Å |
| 158 | E | 89.3 | Confident | 86.6 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.5 | -47.4 | 176 | -173.9 | 178.7 | -151.7 | 0 | 0 | 112.8 | A154 S160 R161 | A154-E158 PolarHBondContact O-N 3.03Å; E158-S160 PolarHBondContact O-N 2.89Å; E158-R161 PolarHBondContact O-N 2.88Å; E158-R161 VanDerWaalsContact O-N 3.1Å |
| 159 | Q | 90.2 | Very high | 86.6 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 179.1 | -73.7 | 177.7 | 26.4 | 0 | 0 | 113.6 | L37 N155 A156 I157 R161 | L37-Q159 HydrophobicContact CD1-CB 4.03Å; L37-Q159 HydrophobicContact CD2-CB 4Å; N155-Q159 WeakPolarHBondContact O-CB 3.23Å; N155-Q159 VanDerWaalsContact O-CG 3.22Å; N155-Q159 WeakPolarHBondContact O-CG 3.25Å; N155-Q159 PolarHBondContact O-N 3.24Å; A156-Q159 PolarHBondContact O-N 2.84Å; I157-Q159 PolarHBondContact O-N 2.87Å; Q159-R161 PolarHBondContact O-N 3.02Å |
| 160 | S | 84 | Confident | 86.6 | Confident | 11 Ų | 11 | 60 Ų | 60 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.3 | -11.1 | 173.2 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | A156 I157 E158 F162 | A156-S160 WeakPolarHBondContact O-CB 3.44Å; A156-S160 PolarHBondContact O-N 3.28Å; A156-S160 PolarHBondContact O-OG 2.96Å; A156-S160 VanDerWaalsContact O-OG 3.1Å; I157-S160 WeakPolarHBondContact CA-OG 3.31Å; I157-S160 PolarHBondContact O-N 3.01Å; I157-S160 PolarHBondContact O-OG 2.83Å; E158-S160 PolarHBondContact O-N 2.89Å; S160-F162 PolarHBondContact O-N 2.69Å; S160-F162 WeakPolarHBondContact OG-CD2 3.49Å |
| 161 | R | 80.8 | Confident | 86.8 | Confident | 227 Ų | 227 | 57.5 Ų | 57.5 | 86% | 0.857 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 19.1 | -179.1 | -50.7 | 179.8 | 178.5 | -178.1 | -1.5 | 115.3 | I157 E158 Q159 | I157-R161 PolarHBondContact O-N 2.79Å; I157-R161 VanDerWaalsContact O-N 3.15Å; E158-R161 PolarHBondContact O-N 2.88Å; E158-R161 VanDerWaalsContact O-N 3.1Å; Q159-R161 PolarHBondContact O-N 3.02Å |
| 162 | F | 75.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | -74.9 | 153.6 | 173.1 | -65.8 | -52.9 | 0 | 0 | 0 | 111.9 | Y52 H54 F61 L108 S160 S164 | Y52-F162 HydrophobicContact CD2-CE2 4.05Å; Y52-F162 AromaticContact CE2-CE2 3.59Å; Y52-F162 HydrophobicContact CE2-CE2 3.59Å; Y52-F162 AromaticContact CE2-CZ 3.94Å; Y52-F162 HydrophobicContact CE2-CZ 3.94Å; H54-F162 AromaticContact CD2-CZ 3.92Å; H54-F162 AromaticContact NE2-CZ 3.9Å; F61-F162 AromaticContact CE2-CD1 3.68Å; F61-F162 HydrophobicContact CE2-CD1 3.68Å; F61-F162 AromaticContact CE2-CD2 3.81Å; F61-F162 HydrophobicContact CE2-CD2 3.81Å; F61-F162 AromaticContact CE2-CE1 3.63Å; F61-F162 HydrophobicContact CE2-CE1 3.63Å; F61-F162 AromaticContact CE2-CE2 3.77Å; F61-F162 HydrophobicContact CE2-CE2 3.77Å; F61-F162 AromaticContact CE2-CG 3.78Å; F61-F162 HydrophobicContact CE2-CG 3.78Å; F61-F162 AromaticContact CE2-CZ 3.68Å; F61-F162 HydrophobicContact CE2-CZ 3.68Å; F61-F162 HydrophobicContact CZ-CD1 4.29Å; F61-F162 AromaticContact CZ-CE1 3.78Å; F61-F162 HydrophobicContact CZ-CE1 3.78Å; F61-F162 HydrophobicContact CZ-CE2 4.15Å; F61-F162 AromaticContact CZ-CZ 3.7Å; F61-F162 HydrophobicContact CZ-CZ 3.7Å; L108-F162 HydrophobicContact CD1-CD2 4.23Å; L108-F162 HydrophobicContact CD1-CE2 3.69Å; L108-F162 HydrophobicContact CD2-CD2 3.75Å; L108-F162 HydrophobicContact CD2-CE2 4.09Å; S160-F162 PolarHBondContact O-N 2.69Å; S160-F162 WeakPolarHBondContact OG-CD2 3.49Å; F162-S164 PolarHBondContact O-N 3.43Å | ||
| 163 | P | 64.7 | Low | 87.1 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | trans | -56.9 | 134.2 | 176.3 | -23.6 | 34.2 | 0 | 0 | 0 | 111.3 | S165 | P163-S165 PolarHBondContact O-N 3.06Å; P163-S165 PolarHBondContact O-OG 3.36Å | ||
| 164 | S | 59.9 | Low | 87.2 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 77% | 0.769 | 29% | 0.288 | S | S | * | . | trans | -75.5 | 34 | -174.4 | -41.4 | 0 | 0 | 0 | 0 | 114.4 | F162 R166 | F162-S164 PolarHBondContact O-N 3.43Å; S164-R166 PolarHBondContact O-N 3.15Å | ||
| 165 | S | 64.7 | Low | 87.4 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | trans | -66.7 | 127.7 | 170.1 | 44.2 | 0 | 0 | 0 | 0 | 110.1 | P163 L167 | P163-S165 PolarHBondContact O-N 3.06Å; P163-S165 PolarHBondContact O-OG 3.36Å; S165-L167 PolarHBondContact O-N 2.99Å | ||
| 166 | R | 79.7 | Confident | 87.4 | Confident | 156 Ų | 156 | 50.7 Ų | 50.7 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | trans | -60.2 | 120.7 | 169.4 | -80.1 | 166.7 | 165.5 | -121 | 3.2 | 109.2 | S164 S197 E201 | S164-R166 PolarHBondContact O-N 3.15Å; R166-S197 PolarHBondContact NH1-OG 3.06Å; R166-S197 PolarHBondContact NH2-OG 3.23Å; R166-E201 WeakPolarHBondContact CB-OE1 3.28Å; R166-E201 WeakPolarHBondContact CB-OE2 3.42Å; R166-E201 WeakPolarHBondContact CD-OE1 3.46Å; R166-E201 VanDerWaalsContact CG-OE1 3.22Å; R166-E201 WeakPolarHBondContact CG-OE1 3.37Å; R166-E201 IonicContact CZ-OE1 2.96Å; R166-E201 VanDerWaalsContact CZ-OE1 3.27Å; R166-E201 IonicContact NE-OE1 3.99Å; R166-E201 PolarHBondContact NE-OE1 3.18Å; R166-E201 IonicContact NH1-OE1 3.81Å; R166-E201 PolarHBondContact NH1-OE1 3.13Å | ||
| 167 | L | 89.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | trans | -106.1 | 143.8 | -177.5 | -67.2 | 178.6 | 0 | 0 | 0 | 110 | F61 L64 S165 I169 | F61-L167 HydrophobicContact CB-CD1 4.08Å; F61-L167 VanDerWaalsContact O-CD2 3.25Å; F61-L167 WeakPolarHBondContact O-CD2 3.36Å; L64-L167 HydrophobicContact CB-CB 4.06Å; L64-L167 HydrophobicContact CB-CD1 4.22Å; S165-L167 PolarHBondContact O-N 2.99Å; L167-I169 VanDerWaalsContact O-CG1 3.24Å; L167-I169 WeakPolarHBondContact O-CG1 3.5Å; L167-I169 PolarHBondContact O-N 3.36Å | ||
| 168 | P | 94.4 | Very high | 87.8 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -51.1 | 128.9 | 164.5 | -24.4 | 33.5 | 0 | 0 | 0 | 111 | D62 S63 L64 K203 | D62-P168 WeakPolarHBondContact O-CD 3.45Å; S63-P168 WeakPolarHBondContact CA-O 3.32Å; S63-P168 WeakPolarHBondContact CB-O 2.96Å; L64-P168 PolarHBondContact N-O 2.96Å; P168-K203 HydrophobicContact CB-CG 3.89Å | ||
| 169 | I | 96.7 | Very high | 88.1 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.3 | -173.3 | -51.2 | -177.8 | 0 | 0 | 0 | 110.8 | L64 V66 I153 L167 L171 F198 E201 I202 K203 A204 | L64-I169 HydrophobicContact CB-CG1 4.5Å; L64-I169 HydrophobicContact CD2-CD1 4.45Å; L64-I169 HydrophobicContact CD2-CG1 4.36Å; L64-I169 CarbonylContact O-C 3.55Å; L64-I169 VanDerWaalsContact O-CA 3.31Å; L64-I169 WeakPolarHBondContact O-CA 3.23Å; V66-I169 HydrophobicContact CG2-CG2 4.13Å; I153-I169 HydrophobicContact CD1-CD1 4.33Å; L167-I169 VanDerWaalsContact O-CG1 3.24Å; L167-I169 WeakPolarHBondContact O-CG1 3.5Å; L167-I169 PolarHBondContact O-N 3.36Å; I169-L171 HydrophobicContact CG2-CD2 3.82Å; I169-F198 HydrophobicContact CD1-CD2 4.23Å; I169-F198 HydrophobicContact CD1-CE2 3.51Å; I169-F198 HydrophobicContact CD1-CZ 4.1Å; I169-E201 HydrophobicContact CD1-CB 4.15Å; I169-E201 HydrophobicContact CG1-CB 4.13Å; I169-E201 PolarHBondContact N-O 3.3Å; I169-I202 HydrophobicContact CB-CD1 3.87Å; I169-I202 HydrophobicContact CD1-CD1 4.19Å; I169-I202 HydrophobicContact CG2-CD1 3.81Å; I169-I202 CarbonylContact O-C 3.53Å; I169-I202 WeakPolarHBondContact O-CA 3.47Å; I169-K203 PolarHBondContact O-N 2.88Å; I169-A204 PolarHBondContact O-N 2.79Å |
| 170 | T | 97.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.2 | 166.5 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | L64 V66 F104 I172 A204 W300 | L64-T170 PolarHBondContact O-N 3.13Å; V66-T170 PolarHBondContact N-O 3.44Å; F104-T170 HydrophobicContact CE1-CG2 4.28Å; F104-T170 HydrophobicContact CZ-CG2 4.17Å; T170-I172 HydrophobicContact CG2-CD1 4.25Å; T170-I172 HydrophobicContact CG2-CG1 3.9Å; T170-A204 HydrophobicContact CG2-CB 4.07Å; T170-W300 HydrophobicContact CG2-CH2 4.23Å; T170-W300 HydrophobicContact CG2-CZ2 3.89Å |
| 171 | L | 98.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.9 | 172.1 | -57.3 | -175.6 | 0 | 0 | 0 | 110.3 | V66 W146 L149 I169 L181 L184 I202 A204 I205 C206 | V66-L171 HydrophobicContact CB-CD2 3.93Å; V66-L171 HydrophobicContact CG2-CD2 4.32Å; W146-L171 HydrophobicContact CH2-CD1 4.47Å; L149-L171 HydrophobicContact CD2-CD1 4.39Å; L149-L171 HydrophobicContact CD2-CD2 4.14Å; I169-L171 HydrophobicContact CG2-CD2 3.82Å; L171-L181 HydrophobicContact CB-CD2 3.9Å; L171-L181 HydrophobicContact CD1-CD2 4.35Å; L171-L184 HydrophobicContact CD1-CD1 4.03Å; L171-I202 HydrophobicContact CD1-CD1 4.05Å; L171-I202 HydrophobicContact CD1-CG2 4.2Å; L171-I202 HydrophobicContact CD2-CD1 4.18Å; L171-I202 HydrophobicContact CG-CD1 4.07Å; L171-I202 HydrophobicContact CG-CG2 4.18Å; L171-A204 PolarHBondContact N-O 2.88Å; L171-I205 HydrophobicContact CB-CG1 4.43Å; L171-I205 HydrophobicContact CB-CG2 4.38Å; L171-I205 CarbonylContact O-C 3.47Å; L171-I205 WeakPolarHBondContact O-CA 3.45Å; L171-C206 PolarHBondContact O-N 3.28Å |
| 172 | I | 98.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.6 | 177.8 | -51.7 | -179.7 | 0 | 0 | 0 | 108.5 | V65 V66 F67 F68 F104 T170 C206 L208 F296 | V65-I172 HydrophobicContact CG1-CD1 3.64Å; V65-I172 HydrophobicContact CG1-CG1 4.25Å; V66-I172 PolarHBondContact O-N 3.02Å; F67-I172 CarbonylContact C-O 3.53Å; F67-I172 WeakPolarHBondContact CA-O 3.44Å; F67-I172 HydrophobicContact CD2-CB 3.95Å; F67-I172 HydrophobicContact CD2-CG2 3.68Å; F67-I172 HydrophobicContact CE2-CG2 4.06Å; F68-I172 PolarHBondContact N-O 3.14Å; F104-I172 HydrophobicContact CE2-CD1 3.79Å; F104-I172 HydrophobicContact CZ-CD1 3.89Å; T170-I172 HydrophobicContact CG2-CD1 4.25Å; T170-I172 HydrophobicContact CG2-CG1 3.9Å; I172-C206 HydrophobicContact CB-CB 4.31Å; I172-C206 HydrophobicContact CG1-CB 4.13Å; I172-C206 HydrophobicContact CG2-CB 4.05Å; I172-L208 HydrophobicContact CG2-CD1 3.46Å; I172-L208 VanDerWaalsContact CG2-CD1 3.46Å; I172-L208 HydrophobicContact CG2-CG 3.85Å; I172-F296 HydrophobicContact CD1-CE1 3.79Å; I172-F296 HydrophobicContact CD1-CZ 4.12Å |
| 173 | G | 98 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | C178 C206 L208 | G173-C178 PolarHBondContact O-SG 3.42Å; G173-C206 PolarHBondContact N-O 3.19Å; G173-L208 WeakPolarHBondContact O-CB 3.12Å; G173-L208 PolarHBondContact O-N 2.86Å |
| 174 | F | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.8 | 172.8 | 171.6 | -103.3 | 0 | 0 | 0 | 111.5 | F67 F68 P69 G70 K176 G177 L208 D209 H289 F290 I293 | F67-F174 HydrophobicContact CE2-CB 3.61Å; F67-F174 HydrophobicContact CZ-CB 3.7Å; F68-F174 PolarHBondContact O-N 2.96Å; P69-F174 CarbonylContact C-O 3.21Å; G70-F174 VanDerWaalsContact CA-O 3.26Å; G70-F174 WeakPolarHBondContact CA-O 3.32Å; G70-F174 PolarHBondContact N-O 3.18Å; F174-K176 PolarHBondContact O-N 2.86Å; F174-K176 VanDerWaalsContact O-N 3.08Å; F174-G177 WeakPolarHBondContact O-CA 3.5Å; F174-G177 PolarHBondContact O-N 2.8Å; F174-L208 CarbonylContact C-O 3.32Å; F174-L208 VanDerWaalsContact CA-O 3.29Å; F174-L208 WeakPolarHBondContact CA-O 3.32Å; F174-L208 HydrophobicContact CB-CB 4.23Å; F174-L208 HydrophobicContact CD2-CB 3.91Å; F174-L208 WeakPolarHBondContact CD2-O 3.35Å; F174-D209 HydrophobicContact CE2-CB 4.32Å; F174-H289 AromaticContact CE1-NE2 3.95Å; F174-H289 AromaticContact CE2-CE1 3.69Å; F174-H289 AromaticContact CE2-ND1 3.93Å; F174-H289 VanDerWaalsContact CE2-O 3.29Å; F174-H289 WeakPolarHBondContact CE2-O 3.2Å; F174-H289 AromaticContact CZ-CD2 3.81Å; F174-H289 AromaticContact CZ-CE1 3.45Å; F174-H289 VanDerWaalsContact CZ-CE1 3.45Å; F174-H289 WeakPolarHBondContact CZ-CE1 3.16Å; F174-H289 AromaticContact CZ-ND1 3.82Å; F174-H289 AromaticContact CZ-NE2 3.49Å; F174-H289 WeakPolarHBondContact CZ-NE2 3.36Å; F174-F290 AromaticContact CE1-CD1 3.73Å; F174-F290 HydrophobicContact CE1-CD1 3.73Å; F174-F290 AromaticContact CE1-CE1 3.92Å; F174-F290 HydrophobicContact CE1-CE1 3.92Å; F174-F290 AromaticContact CZ-CD1 3.76Å; F174-F290 HydrophobicContact CZ-CD1 3.76Å; F174-F290 HydrophobicContact CZ-CE1 4.27Å; F174-I293 HydrophobicContact CD1-CD1 3.85Å; F174-I293 HydrophobicContact CD1-CG1 4.48Å; F174-I293 HydrophobicContact CD2-CD1 4.07Å; F174-I293 HydrophobicContact CD2-CG1 3.8Å; F174-I293 HydrophobicContact CE1-CD1 3.95Å; F174-I293 HydrophobicContact CE2-CD1 4.17Å; F174-I293 HydrophobicContact CE2-CG1 3.96Å; F174-I293 HydrophobicContact CG-CD1 3.91Å; F174-I293 HydrophobicContact CG-CG1 4.08Å; F174-I293 HydrophobicContact CZ-CD1 4.11Å; F174-I293 HydrophobicContact CZ-CG1 4.37Å |
| 175 | S | 96.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | 55.3 | -111.8 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | G177 C178 L208 G211 H289 | S175-G177 VanDerWaalsContact C-N 3.29Å; S175-G177 PolarHBondContact O-N 3.08Å; S175-C178 WeakPolarHBondContact O-CB 2.91Å; S175-C178 PolarHBondContact O-N 2.88Å; S175-L208 PolarHBondContact N-O 3.12Å; S175-G211 PolarHBondContact O-N 3.08Å; S175-H289 VanDerWaalsContact CB-CE1 3.45Å; S175-H289 WeakPolarHBondContact CB-CE1 3.28Å; S175-H289 VanDerWaalsContact CB-NE2 3.3Å; S175-H289 WeakPolarHBondContact CB-NE2 3.45Å; S175-H289 PolarHBondContact OG-CE1 2.89Å; S175-H289 PolarHBondContact OG-NE2 3.08Å |
| 176 | K | 93.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.013 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -63.8 | -24.7 | 170.2 | -86.5 | -154.3 | -165.7 | -61 | 0 | 114.8 | D71 A123 V134 G135 F174 C178 V179 | D71-K176 VanDerWaalsContact CG-CE 3.46Å; D71-K176 WeakPolarHBondContact OD1-CD 3.3Å; D71-K176 WeakPolarHBondContact OD1-CE 3.39Å; D71-K176 WeakPolarHBondContact OD2-CE 3.31Å; D71-K176 IonicContact OD2-NZ 3.14Å; A123-K176 HydrophobicContact CB-CB 4.4Å; A123-K176 HydrophobicContact CB-CD 4.14Å; A123-K176 WeakPolarHBondContact O-CD 3.48Å; A123-K176 WeakPolarHBondContact O-CE 3.32Å; V134-K176 VanDerWaalsContact O-CE 3.32Å; V134-K176 WeakPolarHBondContact O-CE 3.33Å; V134-K176 PolarHBondContact O-NZ 2.93Å; G135-K176 PolarHBondContact O-NZ 2.74Å; F174-K176 PolarHBondContact O-N 2.86Å; F174-K176 VanDerWaalsContact O-N 3.08Å; K176-C178 PolarHBondContact O-N 3.03Å; K176-V179 WeakPolarHBondContact O-CB 3.06Å; K176-V179 VanDerWaalsContact O-CG2 3.27Å; K176-V179 WeakPolarHBondContact O-CG2 3.12Å; K176-V179 PolarHBondContact O-N 3.29Å |
| 177 | G | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | G | 310 helix | trans | -58.8 | -30.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F68 P69 F174 S175 V179 V180 | F68-G177 WeakPolarHBondContact O-CA 3.27Å; P69-G177 PolarHBondContact O-N 2.94Å; F174-G177 WeakPolarHBondContact O-CA 3.5Å; F174-G177 PolarHBondContact O-N 2.8Å; S175-G177 VanDerWaalsContact C-N 3.29Å; S175-G177 PolarHBondContact O-N 3.08Å; G177-V179 PolarHBondContact O-N 3.45Å; G177-V179 VanDerWaalsContact O-N 3.1Å; G177-V180 WeakPolarHBondContact O-CB 3.38Å; G177-V180 PolarHBondContact O-N 3.47Å |
| 178 | C | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.014 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -56.3 | -24.4 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 113.4 | G173 S175 K176 V180 L181 N182 | G173-C178 PolarHBondContact O-SG 3.42Å; S175-C178 WeakPolarHBondContact O-CB 2.91Å; S175-C178 PolarHBondContact O-N 2.88Å; K176-C178 PolarHBondContact O-N 3.03Å; C178-V180 VanDerWaalsContact C-N 3.3Å; C178-V180 PolarHBondContact O-N 3.46Å; C178-L181 PolarHBondContact O-N 3.35Å; C178-N182 VanDerWaalsContact O-CG 3.29Å; C178-N182 PolarHBondContact O-N 2.76Å; C178-N182 PolarHBondContact O-OD1 3.11Å |
| 179 | V | 96.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 6.8 Ų | 6.8 | 4% | 0.036 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | V129 P137 F139 K176 G177 N182 Q183 | V129-V179 HydrophobicContact CG1-CG1 3.79Å; P137-V179 HydrophobicContact CB-CG1 3.5Å; P137-V179 VanDerWaalsContact CB-CG1 3.5Å; P137-V179 HydrophobicContact CG-CG1 3.7Å; P137-V179 HydrophobicContact CG-CG2 4.19Å; F139-V179 HydrophobicContact CE1-CG1 4.06Å; F139-V179 WeakPolarHBondContact CE1-O 3.44Å; F139-V179 HydrophobicContact CZ-CG1 4.11Å; K176-V179 WeakPolarHBondContact O-CB 3.06Å; K176-V179 VanDerWaalsContact O-CG2 3.27Å; K176-V179 WeakPolarHBondContact O-CG2 3.12Å; K176-V179 PolarHBondContact O-N 3.29Å; G177-V179 PolarHBondContact O-N 3.45Å; G177-V179 VanDerWaalsContact O-N 3.1Å; V179-N182 PolarHBondContact O-N 2.93Å; V179-Q183 PolarHBondContact O-N 3.12Å; V179-Q183 VanDerWaalsContact O-N 3.1Å |
| 180 | V | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 175.9 | -179 | 0 | 0 | 0 | 0 | 109.9 | F68 Y125 F128 G177 C178 N182 Q183 L184 | F68-V180 HydrophobicContact CD1-CB 4.18Å; F68-V180 HydrophobicContact CD1-CG1 4.08Å; F68-V180 HydrophobicContact CD1-CG2 3.92Å; F68-V180 HydrophobicContact CD2-CB 4.37Å; F68-V180 HydrophobicContact CD2-CG1 4.31Å; F68-V180 HydrophobicContact CE1-CB 4.41Å; F68-V180 HydrophobicContact CE1-CG1 3.8Å; F68-V180 HydrophobicContact CE1-CG2 4.37Å; F68-V180 HydrophobicContact CE2-CG1 4.05Å; F68-V180 HydrophobicContact CG-CB 4.16Å; F68-V180 HydrophobicContact CG-CG1 4.33Å; F68-V180 HydrophobicContact CG-CG2 4.2Å; F68-V180 HydrophobicContact CZ-CG1 3.78Å; Y125-V180 HydrophobicContact CD1-CG2 3.55Å; Y125-V180 HydrophobicContact CD2-CG2 3.94Å; Y125-V180 HydrophobicContact CE1-CG2 4.06Å; Y125-V180 HydrophobicContact CE2-CG2 4.4Å; Y125-V180 HydrophobicContact CG-CG2 3.48Å; Y125-V180 VanDerWaalsContact CG-CG2 3.48Å; F128-V180 HydrophobicContact CB-CG1 4.01Å; F128-V180 HydrophobicContact CB-CG2 4.14Å; F128-V180 HydrophobicContact CD1-CG1 3.55Å; F128-V180 HydrophobicContact CE1-CG1 4.11Å; F128-V180 HydrophobicContact CG-CG1 3.78Å; F128-V180 HydrophobicContact CG-CG2 4.3Å; G177-V180 WeakPolarHBondContact O-CB 3.38Å; G177-V180 PolarHBondContact O-N 3.47Å; C178-V180 VanDerWaalsContact C-N 3.3Å; C178-V180 PolarHBondContact O-N 3.46Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 2.9Å; V180-Q183 PolarHBondContact O-N 3.47Å; V180-L184 HydrophobicContact CG1-CD1 4.19Å; V180-L184 WeakPolarHBondContact O-CG 3.26Å; V180-L184 PolarHBondContact O-N 3.48Å |
| 181 | L | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.9 | -54.1 | -176.1 | 0 | 0 | 0 | 111.5 | F68 L171 C178 Q183 L184 V185 I205 C206 W207 | F68-L181 HydrophobicContact CD2-CD2 4.35Å; F68-L181 HydrophobicContact CE2-CD2 4.47Å; L171-L181 HydrophobicContact CB-CD2 3.9Å; L171-L181 HydrophobicContact CD1-CD2 4.35Å; C178-L181 PolarHBondContact O-N 3.35Å; L181-Q183 VanDerWaalsContact C-N 3.31Å; L181-Q183 PolarHBondContact O-N 3.36Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 3.12Å; L181-V185 WeakPolarHBondContact O-CG2 3.36Å; L181-V185 PolarHBondContact O-N 2.8Å; L181-I205 HydrophobicContact CD1-CG2 3.83Å; L181-I205 HydrophobicContact CD2-CG2 4.1Å; L181-I205 HydrophobicContact CG-CG2 4.39Å; L181-C206 WeakPolarHBondContact CD1-O 3.44Å; L181-W207 HydrophobicContact CB-CZ2 4.11Å; L181-W207 HydrophobicContact CD1-CD2 4.02Å; L181-W207 HydrophobicContact CD1-CG 4.05Å |
| 182 | N | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 178.5 | -69.7 | -1 | 0 | 0 | 0 | 111.9 | F139 C178 V179 V180 V185 Y186 W207 S217 T218 L220 | F139-N182 HydrophobicContact CD1-CB 4.41Å; F139-N182 HydrophobicContact CE1-CB 3.54Å; F139-N182 HydrophobicContact CZ-CB 3.67Å; C178-N182 VanDerWaalsContact O-CG 3.29Å; C178-N182 PolarHBondContact O-N 2.76Å; C178-N182 PolarHBondContact O-OD1 3.11Å; V179-N182 PolarHBondContact O-N 2.93Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 2.9Å; N182-V185 PolarHBondContact O-N 3.02Å; N182-Y186 WeakPolarHBondContact O-CD2 3.41Å; N182-Y186 PolarHBondContact O-N 2.97Å; N182-Y186 VanDerWaalsContact O-N 3.09Å; N182-W207 PolarHBondContact OD1-NE1 2.83Å; N182-S217 PolarHBondContact ND2-O 2.82Å; N182-T218 PolarHBondContact ND2-O 2.91Å; N182-L220 HydrophobicContact CB-CD1 4.09Å; N182-L220 HydrophobicContact CB-CG 4.41Å |
| 183 | Q | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 176.8 | 177.4 | 52.6 | 30.8 | 0 | 0 | 112.8 | F128 V129 F139 S140 V179 V180 L181 V185 Y186 E187 | F128-Q183 WeakPolarHBondContact O-CG 3.45Å; V129-Q183 HydrophobicContact CB-CB 4.22Å; V129-Q183 HydrophobicContact CB-CG 4.07Å; V129-Q183 HydrophobicContact CG2-CB 4.03Å; V129-Q183 HydrophobicContact CG2-CG 3.92Å; F139-Q183 VanDerWaalsContact CA-OE1 3.26Å; F139-Q183 HydrophobicContact CD1-CB 3.81Å; F139-Q183 HydrophobicContact CE1-CB 4.04Å; S140-Q183 PolarHBondContact O-NE2 3.3Å; S140-Q183 PolarHBondContact O-OE1 2.93Å; V179-Q183 PolarHBondContact O-N 3.12Å; V179-Q183 VanDerWaalsContact O-N 3.1Å; V180-Q183 PolarHBondContact O-N 3.47Å; L181-Q183 VanDerWaalsContact C-N 3.31Å; L181-Q183 PolarHBondContact O-N 3.36Å; Q183-V185 VanDerWaalsContact C-N 3.32Å; Q183-V185 PolarHBondContact O-N 3.3Å; Q183-Y186 WeakPolarHBondContact O-CB 3.29Å; Q183-Y186 PolarHBondContact O-N 3.26Å; Q183-E187 PolarHBondContact NE2-OE1 2.76Å; Q183-E187 PolarHBondContact O-N 3.14Å; Q183-E187 VanDerWaalsContact O-N 3.13Å |
| 184 | L | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 172.5 | -68.4 | 170 | 0 | 0 | 0 | 111.5 | W146 L149 L171 V180 L181 E187 L188 | W146-L184 HydrophobicContact CD2-CD2 3.68Å; W146-L184 HydrophobicContact CE3-CD2 4.13Å; W146-L184 HydrophobicContact CG-CD2 3.87Å; W146-L184 HydrophobicContact CH2-CB 4.47Å; W146-L184 HydrophobicContact CZ2-CB 3.74Å; W146-L184 HydrophobicContact CZ2-CD2 4.23Å; W146-L184 HydrophobicContact CZ2-CG 4.42Å; W146-L184 PolarHBondContact NE1-O 3.28Å; L149-L184 HydrophobicContact CD2-CD1 4.08Å; L171-L184 HydrophobicContact CD1-CD1 4.03Å; V180-L184 HydrophobicContact CG1-CD1 4.19Å; V180-L184 WeakPolarHBondContact O-CG 3.26Å; V180-L184 PolarHBondContact O-N 3.48Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 3.12Å; L184-E187 PolarHBondContact O-N 3.24Å; L184-L188 PolarHBondContact O-N 3.4Å |
| 185 | V | 96.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.9 | -32.6 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | L181 N182 Q183 W207 L220 R225 L229 | L181-V185 WeakPolarHBondContact O-CG2 3.36Å; L181-V185 PolarHBondContact O-N 2.8Å; N182-V185 PolarHBondContact O-N 3.02Å; Q183-V185 VanDerWaalsContact C-N 3.32Å; Q183-V185 PolarHBondContact O-N 3.3Å; V185-W207 HydrophobicContact CG2-CZ2 4.31Å; V185-L220 HydrophobicContact CB-CD1 3.64Å; V185-L220 HydrophobicContact CG1-CD1 3.73Å; V185-L220 HydrophobicContact CG2-CD1 4.09Å; V185-R225 HydrophobicContact CG1-CB 4.43Å; V185-L229 HydrophobicContact CG1-CB 4.31Å; V185-L229 HydrophobicContact CG1-CD2 4.12Å; V185-L229 HydrophobicContact CG2-CD1 4.15Å; V185-L229 HydrophobicContact CG2-CD2 3.87Å |
| 186 | Y | 95.7 | Very high | 94.5 | Very high | 45 Ų | 45 | 28.1 Ų | 28.1 | 18% | 0.176 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 172 | -98.7 | -94 | 0 | 0 | 0 | 111.8 | F139 N182 Q183 L188 L220 R225 | F139-Y186 HydrophobicContact CB-CD1 4Å; F139-Y186 HydrophobicContact CB-CD2 3.58Å; F139-Y186 HydrophobicContact CB-CE1 3.99Å; F139-Y186 HydrophobicContact CB-CE2 3.54Å; F139-Y186 HydrophobicContact CB-CG 3.82Å; F139-Y186 HydrophobicContact CD1-CD2 4.04Å; F139-Y186 HydrophobicContact CD1-CE2 4.31Å; F139-Y186 AromaticContact CD2-CE2 3.99Å; F139-Y186 HydrophobicContact CD2-CE2 3.99Å; F139-Y186 AromaticContact CG-CD2 3.8Å; F139-Y186 HydrophobicContact CG-CD2 3.8Å; F139-Y186 AromaticContact CG-CE2 3.69Å; F139-Y186 HydrophobicContact CG-CE2 3.69Å; F139-Y186 HydrophobicContact CG-CG 4.48Å; N182-Y186 WeakPolarHBondContact O-CD2 3.41Å; N182-Y186 PolarHBondContact O-N 2.97Å; N182-Y186 VanDerWaalsContact O-N 3.09Å; Q183-Y186 WeakPolarHBondContact O-CB 3.29Å; Q183-Y186 PolarHBondContact O-N 3.26Å; Y186-L188 VanDerWaalsContact C-N 3.31Å; Y186-L188 PolarHBondContact O-N 3.4Å; Y186-L220 HydrophobicContact CD2-CD2 3.91Å; Y186-L220 HydrophobicContact CE2-CD2 3.58Å; Y186-R225 VanDerWaalsContact CD1-CZ 3.43Å; Y186-R225 PolarHBondContact O-NH1 2.91Å |
| 187 | E | 96 | Very high | 94.4 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.1 | -17.3 | -177.6 | -68.3 | -174.7 | -170.5 | 0 | 0 | 115.1 | Y143 G144 S145 W146 Q183 L184 S189 E190 A191 | Y143-E187 VanDerWaalsContact C-OE1 3.3Å; Y143-E187 VanDerWaalsContact CA-OE1 3.27Å; Y143-E187 WeakPolarHBondContact CA-OE1 3.35Å; Y143-E187 WeakPolarHBondContact CB-OE1 3.16Å; Y143-E187 PolarHBondContact N-OE1 2.89Å; Y143-E187 VanDerWaalsContact N-OE1 3.11Å; G144-E187 PolarHBondContact N-OE1 3.25Å; G144-E187 PolarHBondContact N-OE2 2.93Å; S145-E187 VanDerWaalsContact CB-OE1 3.26Å; S145-E187 WeakPolarHBondContact CB-OE1 3.48Å; S145-E187 WeakPolarHBondContact CB-OE2 3.37Å; S145-E187 VanDerWaalsContact N-CD 3.32Å; S145-E187 PolarHBondContact N-OE1 3.26Å; S145-E187 PolarHBondContact N-OE2 3.36Å; S145-E187 PolarHBondContact OG-OE1 3.45Å; W146-E187 PolarHBondContact N-OE2 3.08Å; Q183-E187 PolarHBondContact NE2-OE1 2.76Å; Q183-E187 PolarHBondContact O-N 3.14Å; Q183-E187 VanDerWaalsContact O-N 3.13Å; L184-E187 PolarHBondContact O-N 3.24Å; E187-S189 PolarHBondContact O-N 3.43Å; E187-E190 PolarHBondContact O-N 3.44Å; E187-A191 HydrophobicContact CB-CB 4.4Å; E187-A191 WeakPolarHBondContact O-CB 3.26Å; E187-A191 PolarHBondContact O-N 3.32Å |
| 188 | L | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.5 | -35.1 | -163.8 | -174.5 | 63.6 | 0 | 0 | 0 | 114.3 | W146 L184 Y186 E190 W192 I199 L229 M233 | W146-L188 HydrophobicContact CZ2-CD1 4.03Å; L184-L188 PolarHBondContact O-N 3.4Å; Y186-L188 VanDerWaalsContact C-N 3.31Å; Y186-L188 PolarHBondContact O-N 3.4Å; L188-E190 VanDerWaalsContact C-N 3.35Å; L188-E190 PolarHBondContact O-N 2.96Å; L188-W192 HydrophobicContact CD1-CE3 4.04Å; L188-W192 VanDerWaalsContact O-CB 3.25Å; L188-W192 WeakPolarHBondContact O-CB 3.48Å; L188-W192 PolarHBondContact O-N 2.75Å; L188-I199 HydrophobicContact CD1-CG2 3.8Å; L188-L229 HydrophobicContact CD2-CB 4.13Å; L188-L229 HydrophobicContact CD2-CD1 3.65Å; L188-M233 HydrophobicContact CD1-CE 4.07Å |
| 189 | S | 92.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 31 Ų | 31 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 113 | E187 K193 | E187-S189 PolarHBondContact O-N 3.43Å; S189-K193 WeakPolarHBondContact O-CE 3.44Å |
| 190 | E | 92.1 | Very high | 94 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -88.3 | -43.2 | -177.6 | -61.3 | -52.3 | 112.3 | 0 | 0 | 110.8 | E187 L188 W192 K193 | E187-E190 PolarHBondContact O-N 3.44Å; L188-E190 VanDerWaalsContact C-N 3.35Å; L188-E190 PolarHBondContact O-N 2.96Å; E190-W192 VanDerWaalsContact C-N 3.25Å; E190-W192 PolarHBondContact O-N 2.99Å; E190-K193 VanDerWaalsContact O-CB 3.3Å; E190-K193 WeakPolarHBondContact O-CB 3.39Å; E190-K193 PolarHBondContact O-N 3.41Å; E190-K193 WeakPolarHBondContact OE1-CE 3.44Å; E190-K193 IonicContact OE1-NZ 3.48Å; E190-K193 PolarHBondContact OE1-NZ 3.1Å; E190-K193 WeakPolarHBondContact OE2-CE 3.35Å; E190-K193 IonicContact OE2-NZ 3.02Å; E190-K193 PolarHBondContact OE2-NZ 3.33Å |
| 191 | A | 93.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -33.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W146 E187 K193 E194 S195 I199 | W146-A191 HydrophobicContact CB-CB 3.76Å; W146-A191 HydrophobicContact CG-CB 3.58Å; E187-A191 HydrophobicContact CB-CB 4.4Å; E187-A191 WeakPolarHBondContact O-CB 3.26Å; E187-A191 PolarHBondContact O-N 3.32Å; A191-K193 PolarHBondContact O-N 3.07Å; A191-E194 PolarHBondContact O-N 3.48Å; A191-E194 VanDerWaalsContact O-N 3.14Å; A191-S195 PolarHBondContact O-N 3.27Å; A191-I199 HydrophobicContact CB-CD1 4.03Å; A191-I199 WeakPolarHBondContact O-CD1 3.28Å |
| 192 | W | 92.7 | Very high | 93.8 | Very high | 54 Ų | 54 | 35 Ų | 35 | 21% | 0.205 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -23.3 | 174.5 | -163.9 | -76.6 | 0 | 0 | 0 | 113.2 | L188 E190 E194 S196 I199 K232 M233 | L188-W192 HydrophobicContact CD1-CE3 4.04Å; L188-W192 VanDerWaalsContact O-CB 3.25Å; L188-W192 WeakPolarHBondContact O-CB 3.48Å; L188-W192 PolarHBondContact O-N 2.75Å; E190-W192 VanDerWaalsContact C-N 3.25Å; E190-W192 PolarHBondContact O-N 2.99Å; W192-E194 VanDerWaalsContact C-N 3.3Å; W192-S196 WeakPolarHBondContact O-CB 3.49Å; W192-I199 HydrophobicContact CE3-CB 4.22Å; W192-I199 HydrophobicContact CE3-CG2 3.65Å; W192-I199 HydrophobicContact CZ3-CB 4.15Å; W192-I199 HydrophobicContact CZ3-CG2 3.48Å; W192-I199 VanDerWaalsContact CZ3-CG2 3.48Å; W192-K232 HydrophobicContact CD2-CB 4.23Å; W192-K232 HydrophobicContact CD2-CD 3.73Å; W192-K232 HydrophobicContact CD2-CG 4.19Å; W192-K232 HydrophobicContact CE3-CB 3.75Å; W192-K232 HydrophobicContact CE3-CD 4.15Å; W192-K232 HydrophobicContact CE3-CG 4.15Å; W192-K232 HydrophobicContact CG-CD 4.02Å; W192-K232 HydrophobicContact CH2-CB 4.2Å; W192-K232 WeakPolarHBondContact CH2-O 3.04Å; W192-K232 HydrophobicContact CZ2-CD 4.28Å; W192-K232 HydrophobicContact CZ3-CB 3.73Å; W192-M233 HydrophobicContact CZ3-CG 4.32Å |
| 193 | K | 90.5 | Very high | 93.8 | Very high | 139 Ų | 139 | 39.3 Ų | 39.3 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -73.9 | -25.2 | 178.9 | -56 | 175 | -168.5 | 170.2 | 0 | 112.3 | S189 E190 A191 | S189-K193 WeakPolarHBondContact O-CE 3.44Å; E190-K193 VanDerWaalsContact O-CB 3.3Å; E190-K193 WeakPolarHBondContact O-CB 3.39Å; E190-K193 PolarHBondContact O-N 3.41Å; E190-K193 WeakPolarHBondContact OE1-CE 3.44Å; E190-K193 IonicContact OE1-NZ 3.48Å; E190-K193 PolarHBondContact OE1-NZ 3.1Å; E190-K193 WeakPolarHBondContact OE2-CE 3.35Å; E190-K193 IonicContact OE2-NZ 3.02Å; E190-K193 PolarHBondContact OE2-NZ 3.33Å; A191-K193 PolarHBondContact O-N 3.07Å |
| 194 | E | 88.6 | Confident | 93.8 | Very high | 132 Ų | 132 | 39.4 Ų | 39.4 | 62% | 0.617 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -112.1 | -45.3 | -173.2 | -58.4 | -172.4 | 102.7 | 0 | 0 | 112.9 | K147 A191 W192 | K147-E194 VanDerWaalsContact CE-OE2 3.22Å; K147-E194 WeakPolarHBondContact CE-OE2 3.43Å; K147-E194 IonicContact NZ-OE1 2.77Å; K147-E194 PolarHBondContact NZ-OE1 3.1Å; K147-E194 IonicContact NZ-OE2 3.26Å; K147-E194 PolarHBondContact NZ-OE2 3.01Å; A191-E194 PolarHBondContact O-N 3.48Å; A191-E194 VanDerWaalsContact O-N 3.14Å; W192-E194 VanDerWaalsContact C-N 3.3Å |
| 195 | S | 89.1 | Confident | 93.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -110.2 | 23.2 | -172.2 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | E150 A191 S197 F198 I199 | E150-S195 VanDerWaalsContact OE2-CB 3.26Å; E150-S195 WeakPolarHBondContact OE2-CB 3.23Å; E150-S195 PolarHBondContact OE2-OG 3.47Å; A191-S195 PolarHBondContact O-N 3.27Å; S195-S197 PolarHBondContact O-N 3.11Å; S195-S197 VanDerWaalsContact O-N 3.1Å; S195-F198 PolarHBondContact O-N 3.22Å; S195-I199 VanDerWaalsContact O-CG1 3.29Å; S195-I199 WeakPolarHBondContact O-CG1 3.35Å; S195-I199 PolarHBondContact O-N 3.21Å |
| 196 | S | 91.7 | Very high | 94 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -49.9 | -38.9 | -176.6 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | W192 F198 I199 S200 | W192-S196 WeakPolarHBondContact O-CB 3.49Å; S196-F198 PolarHBondContact O-N 3.29Å; S196-I199 PolarHBondContact O-N 2.75Å; S196-S200 WeakPolarHBondContact O-CB 3.15Å; S196-S200 PolarHBondContact O-N 3.18Å |
| 197 | S | 90.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 37 Ų | 37 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -42.6 | -179.7 | 83.9 | 0 | 0 | 0 | 0 | 112.4 | R166 S195 S200 | R166-S197 PolarHBondContact NH1-OG 3.06Å; R166-S197 PolarHBondContact NH2-OG 3.23Å; S195-S197 PolarHBondContact O-N 3.11Å; S195-S197 VanDerWaalsContact O-N 3.1Å; S197-S200 PolarHBondContact O-OG 2.98Å |
| 198 | F | 93.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.9 | -43.4 | 176.4 | 169.4 | -105.3 | 0 | 0 | 0 | 111.3 | W146 L149 E150 I153 I169 S195 S196 S200 E201 | W146-F198 HydrophobicContact CE3-CD1 4.22Å; W146-F198 AromaticContact CE3-CE1 3.88Å; W146-F198 HydrophobicContact CE3-CE1 3.88Å; W146-F198 HydrophobicContact CZ3-CE1 4.09Å; L149-F198 HydrophobicContact CB-CE1 4.47Å; L149-F198 HydrophobicContact CD2-CE1 4.34Å; L149-F198 HydrophobicContact CD2-CZ 4.27Å; L149-F198 HydrophobicContact CG-CE1 4.3Å; L149-F198 HydrophobicContact CG-CZ 4.04Å; E150-F198 HydrophobicContact CB-CD1 3.68Å; E150-F198 HydrophobicContact CB-CD2 4.31Å; E150-F198 HydrophobicContact CB-CE1 3.83Å; E150-F198 HydrophobicContact CB-CE2 4.44Å; E150-F198 HydrophobicContact CB-CG 3.94Å; E150-F198 HydrophobicContact CB-CZ 4.23Å; E150-F198 HydrophobicContact CG-CB 3.98Å; E150-F198 HydrophobicContact CG-CD1 3.95Å; E150-F198 HydrophobicContact CG-CD2 4.05Å; E150-F198 HydrophobicContact CG-CG 3.71Å; E150-F198 VanDerWaalsContact OE1-CB 3.31Å; E150-F198 WeakPolarHBondContact OE1-CB 3.2Å; I153-F198 HydrophobicContact CD1-CE2 4.07Å; I153-F198 HydrophobicContact CD1-CZ 3.9Å; I169-F198 HydrophobicContact CD1-CD2 4.23Å; I169-F198 HydrophobicContact CD1-CE2 3.51Å; I169-F198 HydrophobicContact CD1-CZ 4.1Å; S195-F198 PolarHBondContact O-N 3.22Å; S196-F198 PolarHBondContact O-N 3.29Å; F198-S200 PolarHBondContact O-N 3.32Å; F198-E201 WeakPolarHBondContact O-CB 3.16Å; F198-E201 PolarHBondContact O-N 3.02Å |
| 199 | I | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -29.7 | 179.6 | -58 | 164 | 0 | 0 | 0 | 111 | W146 L188 A191 W192 S195 S196 E201 I202 M233 | W146-I199 HydrophobicContact CD2-CD1 4.19Å; W146-I199 HydrophobicContact CD2-CG1 3.95Å; W146-I199 HydrophobicContact CE3-CD1 4.39Å; W146-I199 HydrophobicContact CE3-CG1 3.66Å; W146-I199 HydrophobicContact CG-CD1 4.38Å; W146-I199 HydrophobicContact CH2-CG2 4.12Å; W146-I199 HydrophobicContact CZ2-CG2 4.37Å; W146-I199 HydrophobicContact CZ3-CB 4.5Å; W146-I199 HydrophobicContact CZ3-CG1 3.97Å; W146-I199 HydrophobicContact CZ3-CG2 4.27Å; L188-I199 HydrophobicContact CD1-CG2 3.8Å; A191-I199 HydrophobicContact CB-CD1 4.03Å; A191-I199 WeakPolarHBondContact O-CD1 3.28Å; W192-I199 HydrophobicContact CE3-CB 4.22Å; W192-I199 HydrophobicContact CE3-CG2 3.65Å; W192-I199 HydrophobicContact CZ3-CB 4.15Å; W192-I199 HydrophobicContact CZ3-CG2 3.48Å; W192-I199 VanDerWaalsContact CZ3-CG2 3.48Å; S195-I199 VanDerWaalsContact O-CG1 3.29Å; S195-I199 WeakPolarHBondContact O-CG1 3.35Å; S195-I199 PolarHBondContact O-N 3.21Å; S196-I199 PolarHBondContact O-N 2.75Å; I199-E201 PolarHBondContact O-N 2.92Å; I199-I202 WeakPolarHBondContact O-CB 3.34Å; I199-I202 WeakPolarHBondContact O-CG1 3.49Å; I199-I202 PolarHBondContact O-N 3.18Å; I199-M233 HydrophobicContact CG2-CE 3.33Å |
| 200 | S | 93.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 41% | 0.406 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.6 | 175.8 | 78 | 0 | 0 | 0 | 0 | 115 | S196 S197 F198 K203 | S196-S200 WeakPolarHBondContact O-CB 3.15Å; S196-S200 PolarHBondContact O-N 3.18Å; S197-S200 PolarHBondContact O-OG 2.98Å; F198-S200 PolarHBondContact O-N 3.32Å; S200-K203 PolarHBondContact O-NZ 2.99Å |
| 201 | E | 94.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 31 Ų | 31 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.3 | 175 | -71.4 | 167.7 | -146.8 | 0 | 0 | 112.8 | R166 I169 F198 I199 K203 | R166-E201 WeakPolarHBondContact CB-OE1 3.28Å; R166-E201 WeakPolarHBondContact CB-OE2 3.42Å; R166-E201 WeakPolarHBondContact CD-OE1 3.46Å; R166-E201 VanDerWaalsContact CG-OE1 3.22Å; R166-E201 WeakPolarHBondContact CG-OE1 3.37Å; R166-E201 IonicContact CZ-OE1 2.96Å; R166-E201 VanDerWaalsContact CZ-OE1 3.27Å; R166-E201 IonicContact NE-OE1 3.99Å; R166-E201 PolarHBondContact NE-OE1 3.18Å; R166-E201 IonicContact NH1-OE1 3.81Å; R166-E201 PolarHBondContact NH1-OE1 3.13Å; I169-E201 HydrophobicContact CD1-CB 4.15Å; I169-E201 HydrophobicContact CG1-CB 4.13Å; I169-E201 PolarHBondContact N-O 3.3Å; F198-E201 WeakPolarHBondContact O-CB 3.16Å; F198-E201 PolarHBondContact O-N 3.02Å; I199-E201 PolarHBondContact O-N 2.92Å; E201-K203 WeakPolarHBondContact O-CG 3.43Å; E201-K203 PolarHBondContact O-N 2.67Å; E201-K203 VanDerWaalsContact O-N 3.11Å |
| 202 | I | 96.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 108.4 | 173.5 | -48.4 | -60.1 | 0 | 0 | 0 | 109.5 | W146 I169 L171 I199 I205 M233 C236 | W146-I202 HydrophobicContact CH2-CD1 4.5Å; W146-I202 HydrophobicContact CH2-CG1 4.02Å; W146-I202 HydrophobicContact CZ3-CD1 4.11Å; W146-I202 HydrophobicContact CZ3-CG1 3.92Å; I169-I202 HydrophobicContact CB-CD1 3.87Å; I169-I202 HydrophobicContact CD1-CD1 4.19Å; I169-I202 HydrophobicContact CG2-CD1 3.81Å; I169-I202 CarbonylContact O-C 3.53Å; I169-I202 WeakPolarHBondContact O-CA 3.47Å; L171-I202 HydrophobicContact CD1-CD1 4.05Å; L171-I202 HydrophobicContact CD1-CG2 4.2Å; L171-I202 HydrophobicContact CD2-CD1 4.18Å; L171-I202 HydrophobicContact CG-CD1 4.07Å; L171-I202 HydrophobicContact CG-CG2 4.18Å; I199-I202 WeakPolarHBondContact O-CB 3.34Å; I199-I202 WeakPolarHBondContact O-CG1 3.49Å; I199-I202 PolarHBondContact O-N 3.18Å; I202-I205 HydrophobicContact CG2-CD1 4.09Å; I202-I205 HydrophobicContact CG2-CG1 3.79Å; I202-M233 HydrophobicContact CB-CE 4.15Å; I202-M233 HydrophobicContact CG1-CE 4.21Å; I202-M233 HydrophobicContact CG2-CE 4.34Å; I202-C236 PolarHBondContact O-SG 2.79Å |
| 203 | K | 96.5 | Very high | 93.2 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 40% | 0.404 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -17.2 | 179.8 | -58.3 | -44.2 | -176.2 | -169 | 0 | 114.1 | P168 I169 S200 E201 C236 K237 | P168-K203 HydrophobicContact CB-CG 3.89Å; I169-K203 PolarHBondContact O-N 2.88Å; S200-K203 PolarHBondContact O-NZ 2.99Å; E201-K203 WeakPolarHBondContact O-CG 3.43Å; E201-K203 PolarHBondContact O-N 2.67Å; E201-K203 VanDerWaalsContact O-N 3.11Å; K203-C236 CarbonylContact O-C 3.53Å; K203-C236 WeakPolarHBondContact O-CA 3.42Å; K203-K237 PolarHBondContact O-N 3.38Å |
| 204 | A | 97.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I169 T170 L171 K237 W300 | I169-A204 PolarHBondContact O-N 2.79Å; T170-A204 HydrophobicContact CG2-CB 4.07Å; L171-A204 PolarHBondContact N-O 2.88Å; A204-K237 CarbonylContact C-O 3.37Å; A204-K237 WeakPolarHBondContact CA-O 3.44Å; A204-K237 HydrophobicContact CB-CB 4.35Å; A204-K237 WeakPolarHBondContact CB-O 3.39Å; A204-W300 HydrophobicContact CB-CD2 4.4Å; A204-W300 HydrophobicContact CB-CE3 4.35Å; A204-W300 HydrophobicContact CB-CH2 3.35Å; A204-W300 HydrophobicContact CB-CZ2 3.38Å; A204-W300 HydrophobicContact CB-CZ3 3.87Å |
| 205 | I | 98.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.2 | 173.8 | -50.4 | -177.9 | 0 | 0 | 0 | 110.4 | L171 L181 I202 W207 M233 K237 F238 Q239 | L171-I205 HydrophobicContact CB-CG1 4.43Å; L171-I205 HydrophobicContact CB-CG2 4.38Å; L171-I205 CarbonylContact O-C 3.47Å; L171-I205 WeakPolarHBondContact O-CA 3.45Å; L181-I205 HydrophobicContact CD1-CG2 3.83Å; L181-I205 HydrophobicContact CD2-CG2 4.1Å; L181-I205 HydrophobicContact CG-CG2 4.39Å; I202-I205 HydrophobicContact CG2-CD1 4.09Å; I202-I205 HydrophobicContact CG2-CG1 3.79Å; I205-W207 HydrophobicContact CB-CH2 4.09Å; I205-W207 HydrophobicContact CB-CZ3 3.84Å; I205-W207 HydrophobicContact CG2-CD2 4.45Å; I205-W207 HydrophobicContact CG2-CE3 3.95Å; I205-W207 HydrophobicContact CG2-CH2 3.49Å; I205-W207 VanDerWaalsContact CG2-CH2 3.49Å; I205-W207 HydrophobicContact CG2-CZ2 4.03Å; I205-W207 HydrophobicContact CG2-CZ3 3.45Å; I205-W207 VanDerWaalsContact CG2-CZ3 3.45Å; I205-M233 HydrophobicContact CD1-CE 4.49Å; I205-M233 HydrophobicContact CD1-SD 3.95Å; I205-K237 PolarHBondContact N-O 2.85Å; I205-F238 HydrophobicContact CB-CD1 4.33Å; I205-F238 HydrophobicContact CD1-CE1 4.3Å; I205-F238 WeakPolarHBondContact O-CA 3.27Å; I205-Q239 PolarHBondContact O-N 2.87Å |
| 206 | C | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.7 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | L171 I172 G173 L181 L208 Q239 F296 W300 | L171-C206 PolarHBondContact O-N 3.28Å; I172-C206 HydrophobicContact CB-CB 4.31Å; I172-C206 HydrophobicContact CG1-CB 4.13Å; I172-C206 HydrophobicContact CG2-CB 4.05Å; G173-C206 PolarHBondContact N-O 3.19Å; L181-C206 WeakPolarHBondContact CD1-O 3.44Å; C206-L208 HydrophobicContact CB-CD2 4.13Å; C206-Q239 CarbonylContact C-O 3.53Å; C206-Q239 WeakPolarHBondContact CA-O 3.34Å; C206-F296 HydrophobicContact CB-CE2 4.2Å; C206-F296 HydrophobicContact CB-CZ 4.3Å; C206-F296 VanDerWaalsContact SG-CZ 3.59Å; C206-W300 VanDerWaalsContact SG-CH2 3.6Å |
| 207 | W | 98.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 108.4 | 167.3 | -70.5 | -105.8 | 0 | 0 | 0 | 109.5 | L181 N182 V185 I205 W219 L229 F238 Q239 D241 F262 | L181-W207 HydrophobicContact CB-CZ2 4.11Å; L181-W207 HydrophobicContact CD1-CD2 4.02Å; L181-W207 HydrophobicContact CD1-CG 4.05Å; N182-W207 PolarHBondContact OD1-NE1 2.83Å; V185-W207 HydrophobicContact CG2-CZ2 4.31Å; I205-W207 HydrophobicContact CB-CH2 4.09Å; I205-W207 HydrophobicContact CB-CZ3 3.84Å; I205-W207 HydrophobicContact CG2-CD2 4.45Å; I205-W207 HydrophobicContact CG2-CE3 3.95Å; I205-W207 HydrophobicContact CG2-CH2 3.49Å; I205-W207 VanDerWaalsContact CG2-CH2 3.49Å; I205-W207 HydrophobicContact CG2-CZ2 4.03Å; I205-W207 HydrophobicContact CG2-CZ3 3.45Å; I205-W207 VanDerWaalsContact CG2-CZ3 3.45Å; W207-W219 HydrophobicContact CB-CE3 4.47Å; W207-W219 HydrophobicContact CB-CH2 3.57Å; W207-W219 HydrophobicContact CB-CZ3 3.42Å; W207-W219 VanDerWaalsContact CB-CZ3 3.42Å; W207-W219 HydrophobicContact CG-CH2 4.39Å; W207-W219 AromaticContact CG-CZ3 3.84Å; W207-W219 HydrophobicContact CG-CZ3 3.84Å; W207-L229 HydrophobicContact CH2-CD2 4.49Å; W207-F238 HydrophobicContact CH2-CD1 4.37Å; W207-F238 HydrophobicContact CZ3-CD1 4.08Å; W207-Q239 PolarHBondContact N-O 3.3Å; W207-D241 PolarHBondContact O-N 3.43Å; W207-F262 HydrophobicContact CD2-CZ 4.23Å; W207-F262 HydrophobicContact CE3-CE1 4.48Å; W207-F262 HydrophobicContact CE3-CZ 4.13Å; W207-F262 AromaticContact CH2-CZ 3.98Å; W207-F262 HydrophobicContact CH2-CZ 3.98Å; W207-F262 HydrophobicContact CZ2-CE2 4.45Å; W207-F262 HydrophobicContact CZ2-CZ 4.06Å; W207-F262 HydrophobicContact CZ3-CZ 4Å |
| 208 | L | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.8 | 179.6 | -48.5 | -175.1 | 0 | 0 | 0 | 110 | I172 G173 F174 S175 C206 G210 D241 V292 F296 | I172-L208 HydrophobicContact CG2-CD1 3.46Å; I172-L208 VanDerWaalsContact CG2-CD1 3.46Å; I172-L208 HydrophobicContact CG2-CG 3.85Å; G173-L208 WeakPolarHBondContact O-CB 3.12Å; G173-L208 PolarHBondContact O-N 2.86Å; F174-L208 CarbonylContact C-O 3.32Å; F174-L208 VanDerWaalsContact CA-O 3.29Å; F174-L208 WeakPolarHBondContact CA-O 3.32Å; F174-L208 HydrophobicContact CB-CB 4.23Å; F174-L208 HydrophobicContact CD2-CB 3.91Å; F174-L208 WeakPolarHBondContact CD2-O 3.35Å; S175-L208 PolarHBondContact N-O 3.12Å; C206-L208 HydrophobicContact CB-CD2 4.13Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.96Å; L208-D241 CarbonylContact C-O 3.46Å; L208-D241 HydrophobicContact CD2-CB 3.7Å; L208-V292 HydrophobicContact CB-CG1 4.28Å; L208-F296 HydrophobicContact CD1-CB 4.3Å; L208-F296 HydrophobicContact CD1-CD1 4.4Å; L208-F296 HydrophobicContact CD1-CD2 4.21Å; L208-F296 HydrophobicContact CD1-CG 4.03Å; L208-F296 HydrophobicContact CD2-CD2 3.39Å; L208-F296 HydrophobicContact CD2-CE2 3.75Å; L208-F296 HydrophobicContact CD2-CG 4.03Å; L208-F296 HydrophobicContact CG-CD2 4.46Å |
| 209 | D | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 45.6 | 50 | 175.1 | -145.8 | 25.3 | 0 | 0 | 0 | 114.1 | F174 G211 D241 V242 S243 Q246 H289 V292 | F174-D209 HydrophobicContact CE2-CB 4.32Å; D209-G211 PolarHBondContact O-N 3.03Å; D209-D241 WeakPolarHBondContact CA-O 3.15Å; D209-D241 PolarHBondContact N-O 3.45Å; D209-V242 WeakPolarHBondContact OD1-CA 3.42Å; D209-S243 PolarHBondContact OD1-N 2.88Å; D209-S243 WeakPolarHBondContact OD2-CB 3.45Å; D209-S243 PolarHBondContact OD2-OG 3.35Å; D209-Q246 HydrophobicContact CB-CG 4.33Å; D209-Q246 WeakPolarHBondContact OD1-CB 3.25Å; D209-Q246 VanDerWaalsContact OD1-CG 3.26Å; D209-Q246 WeakPolarHBondContact OD1-CG 3.41Å; D209-Q246 WeakPolarHBondContact OD2-CG 3.45Å; D209-H289 PolarHBondContact O-CE1 3.23Å; D209-H289 IonicContact OD2-CE1 3.49Å; D209-H289 IonicContact OD2-CG 2.84Å; D209-H289 IonicContact OD2-ND1 3.12Å; D209-H289 PolarHBondContact OD2-ND1 2.83Å; D209-V292 HydrophobicContact CB-CG1 4.48Å; D209-V292 HydrophobicContact CB-CG2 4.16Å |
| 210 | G | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -59.1 | 123.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L208 T218 W219 | L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.96Å; G210-T218 WeakPolarHBondContact O-CG2 3.47Å; G210-W219 PolarHBondContact O-NE1 3.13Å | ||
| 211 | G | 88.8 | Confident | 91.3 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | trans | -156 | 146.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S175 D209 | S175-G211 PolarHBondContact O-N 3.08Å; D209-G211 PolarHBondContact O-N 3.03Å | ||
| 212 | H | 88.1 | Confident | 91.3 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | trans | -156.1 | 170.6 | 165.5 | 64.6 | 93.8 | 0 | 0 | 0 | 110.5 | G214 N216 S217 T218 | H212-G214 WeakPolarHBondContact CE1-CA 3.37Å; H212-G214 WeakPolarHBondContact ND1-CA 3.39Å; H212-G214 PolarHBondContact ND1-N 3.49Å; H212-G214 PolarHBondContact O-N 3.08Å; H212-N216 PolarHBondContact CE1-O 2.93Å; H212-N216 PolarHBondContact NE2-O 3.15Å; H212-N216 VanDerWaalsContact NE2-O 3.13Å; H212-S217 PolarHBondContact NE2-O 2.9Å; H212-T218 WeakPolarHBondContact NE2-CA 3.26Å; H212-T218 WeakPolarHBondContact NE2-CB 3.47Å; H212-T218 PolarHBondContact NE2-N 2.87Å; H212-T218 PolarHBondContact NE2-OG1 3.45Å; H212-T218 VanDerWaalsContact NE2-OG1 3.16Å | ||
| 213 | A | 79.2 | Confident | 91.2 | Very high | 70 Ų | 70 | 30.1 Ų | 30.1 | 58% | 0.579 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -76.4 | 3.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I136 | I136-A213 HydrophobicContact CD1-CB 4Å; I136-A213 HydrophobicContact CG1-CB 4.27Å |
| 214 | G | 80.4 | Confident | 91.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | trans | -87.8 | 149 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | H212 W254 | H212-G214 WeakPolarHBondContact CE1-CA 3.37Å; H212-G214 WeakPolarHBondContact ND1-CA 3.39Å; H212-G214 PolarHBondContact ND1-N 3.49Å; H212-G214 PolarHBondContact O-N 3.08Å; G214-W254 PolarHBondContact O-NE1 3.38Å | ||
| 215 | Q | 78.9 | Confident | 91 | Very high | 138 Ų | 138 | 31 Ų | 31 | 65% | 0.645 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -80.8 | -14.7 | -176.9 | -67 | 177.8 | -5.8 | 0 | 0 | 114.4 | W254 Q258 | Q215-W254 HydrophobicContact CG-CH2 4.07Å; Q215-W254 HydrophobicContact CG-CZ2 4.01Å; Q215-W254 HydrophobicContact CG-CZ3 4.36Å; Q215-W254 VanDerWaalsContact O-CD1 3.28Å; Q215-Q258 PolarHBondContact O-NE2 2.71Å |
| 216 | N | 79.8 | Confident | 90.9 | Very high | 120 Ų | 120 | 30.8 Ų | 30.8 | 64% | 0.642 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -128.7 | 154.3 | -175.9 | -80.1 | -29.4 | 0 | 0 | 0 | 112 | H212 T218 | H212-N216 PolarHBondContact CE1-O 2.93Å; H212-N216 PolarHBondContact NE2-O 3.15Å; H212-N216 VanDerWaalsContact NE2-O 3.13Å; N216-T218 VanDerWaalsContact C-N 3.26Å; N216-T218 PolarHBondContact O-N 3.16Å |
| 217 | S | 84.4 | Confident | 90.8 | Very high | 31 Ų | 31 | 36 Ų | 36 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | trans | 55.4 | 36.8 | 172.4 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | F139 N182 H212 | F139-S217 VanDerWaalsContact CE2-CB 3.49Å; F139-S217 WeakPolarHBondContact CE2-O 3.36Å; N182-S217 PolarHBondContact ND2-O 2.82Å; H212-S217 PolarHBondContact NE2-O 2.9Å | ||
| 218 | T | 89.2 | Confident | 90.7 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -69.5 | -43 | 164.3 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | N182 G210 H212 N216 I255 | N182-T218 PolarHBondContact ND2-O 2.91Å; G210-T218 WeakPolarHBondContact O-CG2 3.47Å; H212-T218 WeakPolarHBondContact NE2-CA 3.26Å; H212-T218 WeakPolarHBondContact NE2-CB 3.47Å; H212-T218 PolarHBondContact NE2-N 2.87Å; H212-T218 PolarHBondContact NE2-OG1 3.45Å; H212-T218 VanDerWaalsContact NE2-OG1 3.16Å; N216-T218 VanDerWaalsContact C-N 3.26Å; N216-T218 PolarHBondContact O-N 3.16Å; T218-I255 HydrophobicContact CG2-CG1 4.18Å; T218-I255 HydrophobicContact CG2-CG2 4.06Å |
| 219 | W | 94.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -119.7 | 153.4 | 166.5 | -59.3 | 82 | 0 | 0 | 0 | 109 | W207 G210 V240 V242 Q258 E259 F262 | W207-W219 HydrophobicContact CB-CE3 4.47Å; W207-W219 HydrophobicContact CB-CH2 3.57Å; W207-W219 HydrophobicContact CB-CZ3 3.42Å; W207-W219 VanDerWaalsContact CB-CZ3 3.42Å; W207-W219 HydrophobicContact CG-CH2 4.39Å; W207-W219 AromaticContact CG-CZ3 3.84Å; W207-W219 HydrophobicContact CG-CZ3 3.84Å; G210-W219 PolarHBondContact O-NE1 3.13Å; W219-V240 HydrophobicContact CH2-CG1 3.7Å; W219-V240 HydrophobicContact CZ3-CG1 3.82Å; W219-V240 HydrophobicContact CZ3-CG2 4.05Å; W219-V242 HydrophobicContact CH2-CG1 3.93Å; W219-V242 HydrophobicContact CZ2-CG1 3.73Å; W219-Q258 HydrophobicContact CB-CB 3.88Å; W219-E259 HydrophobicContact CD2-CB 3.86Å; W219-E259 HydrophobicContact CD2-CG 4.28Å; W219-E259 HydrophobicContact CG-CB 3.84Å; W219-E259 HydrophobicContact CZ2-CG 4.35Å; W219-F262 HydrophobicContact CB-CB 4.02Å; W219-F262 AromaticContact CE3-CD1 3.69Å; W219-F262 HydrophobicContact CE3-CD1 3.69Å; W219-F262 HydrophobicContact CE3-CE1 4.05Å; W219-F262 HydrophobicContact CE3-CG 4.22Å; W219-F262 HydrophobicContact CZ3-CD1 4.17Å; W219-F262 HydrophobicContact CZ3-CE1 4.18Å |
| 220 | L | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -81 | 126.6 | -175.7 | -88.2 | 154.5 | 0 | 0 | 0 | 111.4 | N182 V185 Y186 L226 F262 | N182-L220 HydrophobicContact CB-CD1 4.09Å; N182-L220 HydrophobicContact CB-CG 4.41Å; V185-L220 HydrophobicContact CB-CD1 3.64Å; V185-L220 HydrophobicContact CG1-CD1 3.73Å; V185-L220 HydrophobicContact CG2-CD1 4.09Å; Y186-L220 HydrophobicContact CD2-CD2 3.91Å; Y186-L220 HydrophobicContact CE2-CD2 3.58Å; L220-L226 HydrophobicContact CB-CD2 3.97Å; L220-F262 HydrophobicContact CB-CD2 3.91Å; L220-F262 HydrophobicContact CB-CE2 4.29Å; L220-F262 WeakPolarHBondContact O-CA 3.42Å; L220-F262 VanDerWaalsContact O-CB 3.31Å; L220-F262 WeakPolarHBondContact O-CB 3.45Å; L220-F262 WeakPolarHBondContact O-CD2 3.36Å | ||
| 221 | T | 92.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | trans | -120 | 7.6 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | S223 Q258 Q261 L265 | T221-S223 PolarHBondContact O-N 3.49Å; T221-Q258 HydrophobicContact CG2-CB 4.13Å; T221-Q258 HydrophobicContact CG2-CG 4.19Å; T221-Q261 HydrophobicContact CG2-CB 3.98Å; T221-Q261 HydrophobicContact CG2-CG 3.94Å; T221-L265 VanDerWaalsContact O-CD1 3.31Å; T221-L265 WeakPolarHBondContact O-CD1 2.92Å | ||
| 222 | D | 93.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | trans | -81 | 97.3 | 173.6 | -174 | -19.8 | 0 | 0 | 0 | 110.6 | S224 R225 L226 | D222-S224 PolarHBondContact O-N 3.1Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 2.79Å; D222-S224 PolarHBondContact OD1-OG 3.27Å; D222-R225 HydrophobicContact CB-CB 4.26Å; D222-R225 HydrophobicContact CB-CG 4.2Å; D222-R225 PolarHBondContact O-N 2.98Å; D222-R225 VanDerWaalsContact O-N 3.11Å; D222-R225 PolarHBondContact OD1-N 2.88Å; D222-R225 WeakPolarHBondContact OD2-CD 3.38Å; D222-R225 WeakPolarHBondContact OD2-CG 3.45Å; D222-R225 IonicContact OD2-NE 2.82Å; D222-R225 PolarHBondContact OD2-NE 3.35Å; D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 2.86Å; D222-L226 VanDerWaalsContact O-N 3.1Å | ||
| 223 | S | 94.1 | Very high | 91.1 | Very high | 39 Ų | 39 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55 | -28.7 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 113.7 | T221 K227 | T221-S223 PolarHBondContact O-N 3.49Å; S223-K227 WeakPolarHBondContact O-CB 3.4Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.49Å; S223-K227 PolarHBondContact O-N 2.96Å |
| 224 | S | 94.9 | Very high | 91.5 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 179.5 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | D222 I228 | D222-S224 PolarHBondContact O-N 3.1Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 2.79Å; D222-S224 PolarHBondContact OD1-OG 3.27Å; S224-I228 WeakPolarHBondContact O-CG1 3.47Å; S224-I228 PolarHBondContact O-N 3.5Å; S224-I228 VanDerWaalsContact O-N 3.08Å |
| 225 | R | 95.6 | Very high | 92 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.9 | -41 | 178.7 | -65.6 | 173.4 | -171.9 | -88.1 | 4.1 | 112 | D141 V185 Y186 D222 K227 I228 L229 | D141-R225 IonicContact OD1-CZ 3.95Å; D141-R225 IonicContact OD1-NH1 2.79Å; D141-R225 PolarHBondContact OD1-NH1 2.83Å; D141-R225 IonicContact OD1-NH2 3.12Å; D141-R225 PolarHBondContact OD1-NH2 3.2Å; D141-R225 IonicContact OD2-NH2 3.42Å; D141-R225 PolarHBondContact OD2-NH2 2.91Å; D141-R225 VanDerWaalsContact OD2-NH2 3.12Å; V185-R225 HydrophobicContact CG1-CB 4.43Å; Y186-R225 VanDerWaalsContact CD1-CZ 3.43Å; Y186-R225 PolarHBondContact O-NH1 2.91Å; D222-R225 HydrophobicContact CB-CB 4.26Å; D222-R225 HydrophobicContact CB-CG 4.2Å; D222-R225 PolarHBondContact O-N 2.98Å; D222-R225 VanDerWaalsContact O-N 3.11Å; D222-R225 PolarHBondContact OD1-N 2.88Å; D222-R225 WeakPolarHBondContact OD2-CD 3.38Å; D222-R225 WeakPolarHBondContact OD2-CG 3.45Å; D222-R225 IonicContact OD2-NE 2.82Å; D222-R225 PolarHBondContact OD2-NE 3.35Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.48Å; R225-I228 CarbonylContact O-C 3.56Å; R225-I228 PolarHBondContact O-N 3.32Å; R225-I228 VanDerWaalsContact O-N 3.16Å; R225-L229 WeakPolarHBondContact O-CB 3.39Å; R225-L229 PolarHBondContact O-N 2.86Å |
| 226 | L | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.4 | -61.2 | 176.9 | 0 | 0 | 0 | 111.6 | L220 D222 I228 L229 V230 F262 L265 M266 | L220-L226 HydrophobicContact CB-CD2 3.97Å; D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 2.86Å; D222-L226 VanDerWaalsContact O-N 3.1Å; L226-I228 VanDerWaalsContact C-N 3.35Å; L226-I228 PolarHBondContact O-N 3.31Å; L226-L229 HydrophobicContact CD2-CD2 4.37Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 2.9Å; L226-V230 WeakPolarHBondContact O-CG2 3.38Å; L226-V230 PolarHBondContact O-N 2.78Å; L226-F262 HydrophobicContact CD1-CD2 4.02Å; L226-F262 HydrophobicContact CD2-CD2 3.84Å; L226-F262 HydrophobicContact CD2-CE2 3.64Å; L226-L265 HydrophobicContact CD1-CB 3.51Å; L226-L265 HydrophobicContact CD1-CD1 4.06Å; L226-L265 HydrophobicContact CD1-CG 4.46Å; L226-M266 HydrophobicContact CB-SD 4.12Å; L226-M266 HydrophobicContact CD1-CG 4.48Å; L226-M266 HydrophobicContact CD2-CG 4.36Å; L226-M266 HydrophobicContact CD2-SD 3.82Å; L226-M266 HydrophobicContact CG-SD 4.41Å |
| 227 | K | 95.7 | Very high | 93.5 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 47% | 0.47 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.4 | -32.1 | 171.6 | -75 | 176.9 | 178 | -177.5 | 0 | 113.3 | S223 R225 R231 A269 | S223-K227 WeakPolarHBondContact O-CB 3.4Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.49Å; S223-K227 PolarHBondContact O-N 2.96Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.48Å; K227-R231 WeakPolarHBondContact O-CB 3.32Å; K227-R231 PolarHBondContact O-N 3.47Å; K227-A269 HydrophobicContact CG-CB 3.78Å |
| 228 | I | 95.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 170.9 | -70.4 | 165.2 | 0 | 0 | 0 | 110.5 | S224 R225 L226 R231 K232 | S224-I228 WeakPolarHBondContact O-CG1 3.47Å; S224-I228 PolarHBondContact O-N 3.5Å; S224-I228 VanDerWaalsContact O-N 3.08Å; R225-I228 CarbonylContact O-C 3.56Å; R225-I228 PolarHBondContact O-N 3.32Å; R225-I228 VanDerWaalsContact O-N 3.16Å; L226-I228 VanDerWaalsContact C-N 3.35Å; L226-I228 PolarHBondContact O-N 3.31Å; I228-R231 PolarHBondContact O-N 3.25Å; I228-K232 HydrophobicContact CG2-CG 4.07Å; I228-K232 WeakPolarHBondContact O-CB 3.42Å; I228-K232 WeakPolarHBondContact O-CG 3.48Å; I228-K232 PolarHBondContact O-N 2.9Å |
| 229 | L | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.5 | -62.4 | 177 | 177.3 | 63.6 | 0 | 0 | 0 | 111.2 | V185 L188 W207 R225 L226 R231 K232 M233 F238 M266 | V185-L229 HydrophobicContact CG1-CB 4.31Å; V185-L229 HydrophobicContact CG1-CD2 4.12Å; V185-L229 HydrophobicContact CG2-CD1 4.15Å; V185-L229 HydrophobicContact CG2-CD2 3.87Å; L188-L229 HydrophobicContact CD2-CB 4.13Å; L188-L229 HydrophobicContact CD2-CD1 3.65Å; W207-L229 HydrophobicContact CH2-CD2 4.49Å; R225-L229 WeakPolarHBondContact O-CB 3.39Å; R225-L229 PolarHBondContact O-N 2.86Å; L226-L229 HydrophobicContact CD2-CD2 4.37Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 2.9Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.32Å; L229-K232 PolarHBondContact O-N 3.2Å; L229-M233 HydrophobicContact CD1-CG 4.36Å; L229-M233 HydrophobicContact CD1-SD 3.48Å; L229-M233 WeakPolarHBondContact CD1-SD 3.2Å; L229-M233 WeakPolarHBondContact O-CB 3.2Å; L229-M233 PolarHBondContact O-N 3.39Å; L229-F238 HydrophobicContact CD1-CE1 4.12Å; L229-F238 HydrophobicContact CD1-CZ 4.44Å; L229-F238 HydrophobicContact CD2-CE1 3.94Å; L229-F238 HydrophobicContact CD2-CZ 4.48Å; L229-F238 HydrophobicContact CG-CE1 3.93Å; L229-F238 HydrophobicContact CG-CZ 4.09Å; L229-M266 HydrophobicContact CD2-CE 3.94Å; L229-M266 HydrophobicContact CD2-SD 4Å |
| 230 | V | 95.7 | Very high | 94.7 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | -177.8 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | L226 K232 M233 S234 F238 M266 A269 A271 | L226-V230 WeakPolarHBondContact O-CG2 3.38Å; L226-V230 PolarHBondContact O-N 2.78Å; V230-K232 VanDerWaalsContact C-N 3.33Å; V230-K232 PolarHBondContact O-N 2.89Å; V230-M233 CarbonylContact O-C 3.59Å; V230-S234 WeakPolarHBondContact O-CA 3.34Å; V230-S234 PolarHBondContact O-N 3.19Å; V230-S234 VanDerWaalsContact O-N 3.13Å; V230-F238 HydrophobicContact CG2-CE2 4.48Å; V230-M266 HydrophobicContact CG2-CE 3.91Å; V230-M266 HydrophobicContact CG2-SD 3.81Å; V230-A269 HydrophobicContact CB-CB 4.19Å; V230-A269 WeakPolarHBondContact CG1-O 3.37Å; V230-A269 HydrophobicContact CG2-CB 3.96Å; V230-A271 HydrophobicContact CG1-CB 4.33Å; V230-A271 HydrophobicContact CG2-CB 3.71Å |
| 231 | R | 94.6 | Very high | 94.9 | Very high | 223 Ų | 223 | 50.2 Ų | 50.2 | 84% | 0.842 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.9 | -19.5 | -178.6 | -168.8 | 171.7 | -177.4 | 167.9 | 5.1 | 114.3 | K227 I228 L229 | K227-R231 WeakPolarHBondContact O-CB 3.32Å; K227-R231 PolarHBondContact O-N 3.47Å; I228-R231 PolarHBondContact O-N 3.25Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.32Å |
| 232 | K | 93.6 | Very high | 95.1 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -93.3 | -36.1 | 174.6 | -74.3 | -60.8 | -161 | 166.9 | 0 | 112.2 | W192 I228 L229 V230 | W192-K232 HydrophobicContact CD2-CB 4.23Å; W192-K232 HydrophobicContact CD2-CD 3.73Å; W192-K232 HydrophobicContact CD2-CG 4.19Å; W192-K232 HydrophobicContact CE3-CB 3.75Å; W192-K232 HydrophobicContact CE3-CD 4.15Å; W192-K232 HydrophobicContact CE3-CG 4.15Å; W192-K232 HydrophobicContact CG-CD 4.02Å; W192-K232 HydrophobicContact CH2-CB 4.2Å; W192-K232 WeakPolarHBondContact CH2-O 3.04Å; W192-K232 HydrophobicContact CZ2-CD 4.28Å; W192-K232 HydrophobicContact CZ3-CB 3.73Å; I228-K232 HydrophobicContact CG2-CG 4.07Å; I228-K232 WeakPolarHBondContact O-CB 3.42Å; I228-K232 WeakPolarHBondContact O-CG 3.48Å; I228-K232 PolarHBondContact O-N 2.9Å; L229-K232 PolarHBondContact O-N 3.2Å; V230-K232 VanDerWaalsContact C-N 3.33Å; V230-K232 PolarHBondContact O-N 2.89Å |
| 233 | M | 93.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -108.9 | 50.9 | -179.9 | -64.9 | -176.9 | 163.2 | 0 | 0 | 110.3 | W146 L188 W192 I199 I202 I205 L229 V230 N235 C236 F238 | W146-M233 HydrophobicContact CH2-CE 3.67Å; W146-M233 HydrophobicContact CZ2-CE 3.93Å; L188-M233 HydrophobicContact CD1-CE 4.07Å; W192-M233 HydrophobicContact CZ3-CG 4.32Å; I199-M233 HydrophobicContact CG2-CE 3.33Å; I202-M233 HydrophobicContact CB-CE 4.15Å; I202-M233 HydrophobicContact CG1-CE 4.21Å; I202-M233 HydrophobicContact CG2-CE 4.34Å; I205-M233 HydrophobicContact CD1-CE 4.49Å; I205-M233 HydrophobicContact CD1-SD 3.95Å; L229-M233 HydrophobicContact CD1-CG 4.36Å; L229-M233 HydrophobicContact CD1-SD 3.48Å; L229-M233 WeakPolarHBondContact CD1-SD 3.2Å; L229-M233 WeakPolarHBondContact O-CB 3.2Å; L229-M233 PolarHBondContact O-N 3.39Å; V230-M233 CarbonylContact O-C 3.59Å; M233-N235 PolarHBondContact O-N 3.03Å; M233-C236 HydrophobicContact CB-CB 3.64Å; M233-C236 WeakPolarHBondContact O-CB 3.22Å; M233-C236 PolarHBondContact O-N 2.9Å; M233-F238 HydrophobicContact CB-CZ 4.27Å |
| 234 | S | 88.5 | Confident | 95.3 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 55% | 0.552 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -37.9 | -179 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | V230 C236 | V230-S234 WeakPolarHBondContact O-CA 3.34Å; V230-S234 PolarHBondContact O-N 3.19Å; V230-S234 VanDerWaalsContact O-N 3.13Å; S234-C236 PolarHBondContact O-N 3.31Å |
| 235 | N | 89.5 | Confident | 95.3 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 71% | 0.706 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 33.1 | -178.2 | -52.6 | 51.6 | 0 | 0 | 0 | 111.4 | M233 | M233-N235 PolarHBondContact O-N 3.03Š|
| 236 | C | 94.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | trans | -127.1 | 134.8 | -175.5 | -162.7 | 0 | 0 | 0 | 0 | 110 | I202 K203 M233 S234 F238 | I202-C236 PolarHBondContact O-SG 2.79Å; K203-C236 CarbonylContact O-C 3.53Å; K203-C236 WeakPolarHBondContact O-CA 3.42Å; M233-C236 HydrophobicContact CB-CB 3.64Å; M233-C236 WeakPolarHBondContact O-CB 3.22Å; M233-C236 PolarHBondContact O-N 2.9Å; S234-C236 PolarHBondContact O-N 3.31Å; C236-F238 HydrophobicContact CB-CZ 4.15Å; C236-F238 WeakPolarHBondContact O-CD2 3.46Å; C236-F238 WeakPolarHBondContact O-CE2 3.46Å | ||
| 237 | K | 96.2 | Very high | 95.1 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 34% | 0.339 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.5 | -174.8 | -60.8 | -169.4 | 173 | -96.6 | 0 | 110.9 | K203 A204 I205 D272 F299 W300 | K203-K237 PolarHBondContact O-N 3.38Å; A204-K237 CarbonylContact C-O 3.37Å; A204-K237 WeakPolarHBondContact CA-O 3.44Å; A204-K237 HydrophobicContact CB-CB 4.35Å; A204-K237 WeakPolarHBondContact CB-O 3.39Å; I205-K237 PolarHBondContact N-O 2.85Å; K237-D272 WeakPolarHBondContact CD-OD2 3.5Å; K237-D272 WeakPolarHBondContact CE-OD2 3.46Å; K237-D272 WeakPolarHBondContact CG-OD2 3.49Å; K237-D272 IonicContact NZ-OD2 2.68Å; K237-D272 PolarHBondContact NZ-OD2 2.81Å; K237-F299 HydrophobicContact CB-CE1 4.03Å; K237-F299 HydrophobicContact CB-CZ 3.87Å; K237-F299 HydrophobicContact CD-CE2 4.24Å; K237-F299 HydrophobicContact CD-CZ 4Å; K237-F299 HydrophobicContact CG-CZ 4.24Å; K237-W300 HydrophobicContact CB-CE3 4.05Å; K237-W300 HydrophobicContact CD-CB 3.48Å; K237-W300 VanDerWaalsContact CD-CB 3.48Å; K237-W300 HydrophobicContact CD-CD2 4.33Å; K237-W300 HydrophobicContact CD-CE3 4.4Å; K237-W300 HydrophobicContact CD-CG 3.97Å |
| 238 | F | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134 | -175.3 | -55.5 | -80.2 | 0 | 0 | 0 | 110 | I205 W207 L229 V230 M233 C236 M266 A271 D272 I273 R274 F299 | I205-F238 HydrophobicContact CB-CD1 4.33Å; I205-F238 HydrophobicContact CD1-CE1 4.3Å; I205-F238 WeakPolarHBondContact O-CA 3.27Å; W207-F238 HydrophobicContact CH2-CD1 4.37Å; W207-F238 HydrophobicContact CZ3-CD1 4.08Å; L229-F238 HydrophobicContact CD1-CE1 4.12Å; L229-F238 HydrophobicContact CD1-CZ 4.44Å; L229-F238 HydrophobicContact CD2-CE1 3.94Å; L229-F238 HydrophobicContact CD2-CZ 4.48Å; L229-F238 HydrophobicContact CG-CE1 3.93Å; L229-F238 HydrophobicContact CG-CZ 4.09Å; V230-F238 HydrophobicContact CG2-CE2 4.48Å; M233-F238 HydrophobicContact CB-CZ 4.27Å; C236-F238 HydrophobicContact CB-CZ 4.15Å; C236-F238 WeakPolarHBondContact O-CD2 3.46Å; C236-F238 WeakPolarHBondContact O-CE2 3.46Å; F238-M266 HydrophobicContact CB-CE 4.01Å; F238-M266 HydrophobicContact CD1-CE 3.57Å; F238-M266 HydrophobicContact CD2-CE 3.67Å; F238-M266 HydrophobicContact CE1-CE 3.89Å; F238-M266 HydrophobicContact CE2-CE 3.99Å; F238-M266 HydrophobicContact CG-CE 3.44Å; F238-M266 VanDerWaalsContact CG-CE 3.44Å; F238-M266 HydrophobicContact CZ-CE 4.09Å; F238-A271 HydrophobicContact CD2-CB 3.89Å; F238-A271 HydrophobicContact CE2-CB 4.28Å; F238-D272 PolarHBondContact N-O 2.71Å; F238-I273 HydrophobicContact CB-CB 4.02Å; F238-I273 HydrophobicContact CB-CD1 4.24Å; F238-I273 HydrophobicContact CB-CG1 3.91Å; F238-I273 VanDerWaalsContact O-CA 3.28Å; F238-I273 WeakPolarHBondContact O-CA 3.42Å; F238-R274 PolarHBondContact O-N 2.94Å; F238-F299 WeakPolarHBondContact O-CE1 2.96Å |
| 239 | Q | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.2 | 178.8 | 178 | 164.8 | -20.5 | 0 | 0 | 111.6 | I205 C206 W207 D241 R274 F276 F296 R297 F299 W300 | I205-Q239 PolarHBondContact O-N 2.87Å; C206-Q239 CarbonylContact C-O 3.53Å; C206-Q239 WeakPolarHBondContact CA-O 3.34Å; W207-Q239 PolarHBondContact N-O 3.3Å; Q239-D241 WeakPolarHBondContact CG-OD2 3.05Å; Q239-D241 PolarHBondContact NE2-OD2 2.9Å; Q239-R274 WeakPolarHBondContact CA-O 3.37Å; Q239-F276 HydrophobicContact CG-CD2 4.15Å; Q239-F276 HydrophobicContact CG-CE2 4.07Å; Q239-F296 HydrophobicContact CG-CE2 4.44Å; Q239-R297 PolarHBondContact NE2-O 2.98Å; Q239-R297 PolarHBondContact OE1-O 3.16Å; Q239-F299 HydrophobicContact CB-CD1 4.21Å; Q239-F299 HydrophobicContact CB-CE1 4.46Å; Q239-W300 HydrophobicContact CB-CZ3 4.29Å |
| 240 | V | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117.2 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 108 | W219 V242 F262 V263 I273 R274 V275 F276 | W219-V240 HydrophobicContact CH2-CG1 3.7Å; W219-V240 HydrophobicContact CZ3-CG1 3.82Å; W219-V240 HydrophobicContact CZ3-CG2 4.05Å; V240-V242 HydrophobicContact CG1-CG1 3.89Å; V240-F262 HydrophobicContact CG2-CD1 4.34Å; V240-F262 HydrophobicContact CG2-CE1 3.77Å; V240-V263 HydrophobicContact CG2-CG2 4.49Å; V240-I273 HydrophobicContact CG2-CD1 4.18Å; V240-R274 PolarHBondContact N-O 3.24Å; V240-V275 HydrophobicContact CB-CB 4.45Å; V240-V275 HydrophobicContact CB-CG1 4.15Å; V240-V275 HydrophobicContact CB-CG2 4.19Å; V240-V275 HydrophobicContact CG1-CG1 4.01Å; V240-V275 CarbonylContact O-C 3.5Å; V240-V275 VanDerWaalsContact O-CA 3.28Å; V240-V275 WeakPolarHBondContact O-CA 3.42Å; V240-F276 PolarHBondContact O-N 2.83Å |
| 241 | D | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | 171.5 | -67.3 | -114.6 | 0 | 0 | 0 | 107.1 | W207 L208 D209 Q239 F276 H278 V292 | W207-D241 PolarHBondContact O-N 3.43Å; L208-D241 CarbonylContact C-O 3.46Å; L208-D241 HydrophobicContact CD2-CB 3.7Å; D209-D241 WeakPolarHBondContact CA-O 3.15Å; D209-D241 PolarHBondContact N-O 3.45Å; Q239-D241 WeakPolarHBondContact CG-OD2 3.05Å; Q239-D241 PolarHBondContact NE2-OD2 2.9Å; D241-F276 WeakPolarHBondContact CA-O 3.49Å; D241-H278 IonicContact OD1-CD2 3.85Å; D241-H278 IonicContact OD1-CE1 3.38Å; D241-H278 IonicContact OD1-NE2 2.67Å; D241-H278 PolarHBondContact OD1-NE2 3.45Å; D241-V292 HydrophobicContact CB-CG1 3.7Å |
| 242 | V | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 155.6 | -176.8 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | D209 W219 V240 V247 E259 F276 M277 H278 | D209-V242 WeakPolarHBondContact OD1-CA 3.42Å; W219-V242 HydrophobicContact CH2-CG1 3.93Å; W219-V242 HydrophobicContact CZ2-CG1 3.73Å; V240-V242 HydrophobicContact CG1-CG1 3.89Å; V242-V247 HydrophobicContact CB-CG1 3.93Å; V242-V247 HydrophobicContact CB-CG2 4.12Å; V242-V247 HydrophobicContact CG1-CG1 3.93Å; V242-V247 HydrophobicContact CG2-CG1 4.3Å; V242-V247 HydrophobicContact CG2-CG2 4.02Å; V242-E259 HydrophobicContact CG1-CG 4.3Å; V242-F276 PolarHBondContact N-O 2.74Å; V242-M277 HydrophobicContact CG2-CE 4.08Å; V242-M277 HydrophobicContact CG2-SD 4.18Å; V242-M277 CarbonylContact O-C 3.5Å; V242-M277 WeakPolarHBondContact O-CA 3.41Å; V242-H278 PolarHBondContact O-N 3.32Å |
| 243 | S | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -120 | 155.3 | 174.5 | 82 | 0 | 0 | 0 | 0 | 111.5 | D209 Y245 Q246 V247 | D209-S243 PolarHBondContact OD1-N 2.88Å; D209-S243 WeakPolarHBondContact OD2-CB 3.45Å; D209-S243 PolarHBondContact OD2-OG 3.35Å; S243-Y245 PolarHBondContact O-N 3.38Å; S243-Y245 WeakPolarHBondContact OG-CB 3.42Å; S243-Y245 PolarHBondContact OG-N 2.83Å; S243-Q246 PolarHBondContact O-N 3.43Å; S243-V247 WeakPolarHBondContact O-CG2 3.44Å; S243-V247 PolarHBondContact O-N 2.81Å | ||
| 244 | P | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.6 | -22 | 169.5 | -31.4 | 36.5 | 0 | 0 | 0 | 115.1 | Q246 R248 M277 H278 P284 | P244-Q246 VanDerWaalsContact C-N 3.33Å; P244-Q246 PolarHBondContact O-N 3.32Å; P244-R248 HydrophobicContact CB-CB 4.2Å; P244-R248 HydrophobicContact CB-CG 4.39Å; P244-R248 CarbonylContact O-C 3.55Å; P244-R248 WeakPolarHBondContact O-CA 3.39Å; P244-R248 WeakPolarHBondContact O-CB 3.49Å; P244-R248 PolarHBondContact O-N 2.99Å; P244-M277 HydrophobicContact CG-SD 4.43Å; P244-H278 WeakPolarHBondContact CD-O 3.19Å; P244-P284 HydrophobicContact CB-CB 4.23Å; P244-P284 HydrophobicContact CB-CG 3.86Å |
| 245 | Y | 94.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -27 | 177.7 | -178.4 | -98.8 | 0 | 0 | 0 | 113.9 | S243 R252 S285 I286 H289 | S243-Y245 PolarHBondContact O-N 3.38Å; S243-Y245 WeakPolarHBondContact OG-CB 3.42Å; S243-Y245 PolarHBondContact OG-N 2.83Å; Y245-R252 PolarHBondContact O-NH2 3.48Å; Y245-R252 VanDerWaalsContact O-NH2 3.11Å; Y245-S285 WeakPolarHBondContact CB-O 3.33Å; Y245-S285 WeakPolarHBondContact CD2-O 3.44Å; Y245-I286 HydrophobicContact CE1-CB 4.44Å; Y245-I286 HydrophobicContact CE1-CG1 4.31Å; Y245-I286 HydrophobicContact CE2-CB 3.96Å; Y245-H289 HydrophobicContact CD1-CB 3.55Å; Y245-H289 AromaticContact CD1-CG 3.84Å; Y245-H289 HydrophobicContact CE1-CB 4.03Å; Y245-H289 HydrophobicContact CG-CB 4.16Å |
| 246 | Q | 94 | Very high | 92.9 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -102.3 | -53.3 | 173.6 | -61.3 | -70.9 | 9.2 | 0 | 0 | 111.7 | D209 S243 P244 I255 H289 | D209-Q246 HydrophobicContact CB-CG 4.33Å; D209-Q246 WeakPolarHBondContact OD1-CB 3.25Å; D209-Q246 VanDerWaalsContact OD1-CG 3.26Å; D209-Q246 WeakPolarHBondContact OD1-CG 3.41Å; D209-Q246 WeakPolarHBondContact OD2-CG 3.45Å; S243-Q246 PolarHBondContact O-N 3.43Å; P244-Q246 VanDerWaalsContact C-N 3.33Å; P244-Q246 PolarHBondContact O-N 3.32Å; Q246-I255 HydrophobicContact CB-CG2 4.18Å; Q246-H289 PolarHBondContact NE2-CE1 2.65Å; Q246-H289 VanDerWaalsContact NE2-CE1 3.26Å |
| 247 | V | 94 | Very high | 92.8 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.8 | -14.3 | -169.2 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | V242 S243 I255 E259 M277 | V242-V247 HydrophobicContact CB-CG1 3.93Å; V242-V247 HydrophobicContact CB-CG2 4.12Å; V242-V247 HydrophobicContact CG1-CG1 3.93Å; V242-V247 HydrophobicContact CG2-CG1 4.3Å; V242-V247 HydrophobicContact CG2-CG2 4.02Å; S243-V247 WeakPolarHBondContact O-CG2 3.44Å; S243-V247 PolarHBondContact O-N 2.81Å; V247-I255 HydrophobicContact CG1-CG2 4.46Å; V247-E259 HydrophobicContact CG1-CB 4.12Å; V247-E259 HydrophobicContact CG1-CG 3.98Å; V247-M277 HydrophobicContact CG2-CE 3.68Å; V247-M277 HydrophobicContact CG2-SD 3.82Å |
| 248 | R | 92.2 | Very high | 92.8 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 47% | 0.468 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 12.7 | 174.1 | -59.9 | -176.5 | 176.1 | 174.2 | -1.1 | 113.6 | P244 C250 E280 | P244-R248 HydrophobicContact CB-CB 4.2Å; P244-R248 HydrophobicContact CB-CG 4.39Å; P244-R248 CarbonylContact O-C 3.55Å; P244-R248 WeakPolarHBondContact O-CA 3.39Å; P244-R248 WeakPolarHBondContact O-CB 3.49Å; P244-R248 PolarHBondContact O-N 2.99Å; R248-C250 PolarHBondContact O-N 3.22Å; R248-E280 IonicContact CZ-OE1 3.83Å; R248-E280 IonicContact NH1-OE1 2.72Å; R248-E280 PolarHBondContact NH1-OE1 3.39Å; R248-E280 IonicContact NH2-OE1 2.73Å; R248-E280 PolarHBondContact NH2-OE1 3.36Å |
| 249 | D | 87.4 | Confident | 92.7 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | trans | -67.2 | 114.1 | 174.7 | -172 | -21.1 | 0 | 0 | 0 | 111.2 | S251 R252 P253 | D249-S251 VanDerWaalsContact C-N 3.29Å; D249-S251 VanDerWaalsContact CG-OG 3.3Å; D249-S251 PolarHBondContact O-N 3.15Å; D249-S251 WeakPolarHBondContact OD1-CA 3.37Å; D249-S251 VanDerWaalsContact OD1-CB 3.32Å; D249-S251 WeakPolarHBondContact OD1-CB 3.49Å; D249-S251 PolarHBondContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 3.41Å; D249-S251 PolarHBondContact OD2-OG 3.23Å; D249-R252 HydrophobicContact CB-CB 4.26Å; D249-R252 CarbonylContact O-C 3.58Å; D249-R252 PolarHBondContact O-N 3.09Å; D249-R252 PolarHBondContact OD1-N 2.87Å; D249-R252 IonicContact OD2-CZ 3.15Å; D249-R252 IonicContact OD2-NE 2.65Å; D249-R252 PolarHBondContact OD2-NE 3.31Å; D249-R252 IonicContact OD2-NH2 3.51Å; D249-R252 PolarHBondContact OD2-NH2 3.01Å; D249-P253 WeakPolarHBondContact O-CA 3.44Å | ||
| 250 | C | 86.6 | Confident | 92.5 | Very high | 124 Ų | 124 | 41.8 Ų | 41.8 | 84% | 0.838 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -71.1 | -18.5 | 179 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | R248 P253 | R248-C250 PolarHBondContact O-N 3.22Å; C250-P253 WeakPolarHBondContact O-CD 3.32Å |
| 251 | S | 85.7 | Confident | 92.4 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 56% | 0.559 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -84.4 | -28.3 | 171.5 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | D249 P253 W254 | D249-S251 VanDerWaalsContact C-N 3.29Å; D249-S251 VanDerWaalsContact CG-OG 3.3Å; D249-S251 PolarHBondContact O-N 3.15Å; D249-S251 WeakPolarHBondContact OD1-CA 3.37Å; D249-S251 VanDerWaalsContact OD1-CB 3.32Å; D249-S251 WeakPolarHBondContact OD1-CB 3.49Å; D249-S251 PolarHBondContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 3.41Å; D249-S251 PolarHBondContact OD2-OG 3.23Å; S251-P253 WeakPolarHBondContact O-CD 3.4Å; S251-W254 WeakPolarHBondContact O-CZ3 3.26Å |
| 252 | R | 86.6 | Confident | 92.4 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 17% | 0.17 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -118.7 | 46.2 | 179.1 | -60.7 | 178 | -65.8 | 131.1 | 11.6 | 113.9 | Y245 D249 W254 I255 | Y245-R252 PolarHBondContact O-NH2 3.48Å; Y245-R252 VanDerWaalsContact O-NH2 3.11Å; D249-R252 HydrophobicContact CB-CB 4.26Å; D249-R252 CarbonylContact O-C 3.58Å; D249-R252 PolarHBondContact O-N 3.09Å; D249-R252 PolarHBondContact OD1-N 2.87Å; D249-R252 IonicContact OD2-CZ 3.15Å; D249-R252 IonicContact OD2-NE 2.65Å; D249-R252 PolarHBondContact OD2-NE 3.31Å; D249-R252 IonicContact OD2-NH2 3.51Å; D249-R252 PolarHBondContact OD2-NH2 3.01Å; R252-W254 HydrophobicContact CB-CH2 4.04Å; R252-W254 HydrophobicContact CB-CZ2 3.85Å; R252-W254 HydrophobicContact CB-CZ3 4.47Å; R252-W254 HydrophobicContact CG-CH2 3.81Å; R252-W254 HydrophobicContact CG-CZ2 3.74Å; R252-W254 PolarHBondContact O-N 3.33Å; R252-I255 HydrophobicContact CB-CD1 3.87Å; R252-I255 HydrophobicContact CB-CG1 4.26Å; R252-I255 VanDerWaalsContact NH1-CD1 3.34Å; R252-I255 PolarHBondContact O-N 2.85Å |
| 253 | P | 87.3 | Confident | 92.3 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 3.5 | -168.9 | 31.8 | -38.5 | 0 | 0 | 0 | 114.4 | D249 C250 S251 R257 | D249-P253 WeakPolarHBondContact O-CA 3.44Å; C250-P253 WeakPolarHBondContact O-CD 3.32Å; S251-P253 WeakPolarHBondContact O-CD 3.4Å; P253-R257 PolarHBondContact O-NE 2.92Å; P253-R257 PolarHBondContact O-NH2 2.79Å |
| 254 | W | 89.1 | Confident | 92.2 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.3 | -24.3 | 167.4 | 57.2 | 87.8 | 0 | 0 | 0 | 112.4 | G214 Q215 S251 R252 R257 Q258 | G214-W254 PolarHBondContact O-NE1 3.38Å; Q215-W254 HydrophobicContact CG-CH2 4.07Å; Q215-W254 HydrophobicContact CG-CZ2 4.01Å; Q215-W254 HydrophobicContact CG-CZ3 4.36Å; Q215-W254 VanDerWaalsContact O-CD1 3.28Å; S251-W254 WeakPolarHBondContact O-CZ3 3.26Å; R252-W254 HydrophobicContact CB-CH2 4.04Å; R252-W254 HydrophobicContact CB-CZ2 3.85Å; R252-W254 HydrophobicContact CB-CZ3 4.47Å; R252-W254 HydrophobicContact CG-CH2 3.81Å; R252-W254 HydrophobicContact CG-CZ2 3.74Å; R252-W254 PolarHBondContact O-N 3.33Å; W254-R257 PolarHBondContact O-N 2.95Å; W254-Q258 WeakPolarHBondContact O-CB 3.1Å; W254-Q258 VanDerWaalsContact O-CG 3.23Å; W254-Q258 WeakPolarHBondContact O-CG 3.49Å; W254-Q258 PolarHBondContact O-N 3.11Å |
| 255 | I | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -59.6 | -177.1 | -59.2 | 179.3 | 0 | 0 | 0 | 110.3 | T218 Q246 V247 R252 R257 Q258 E259 | T218-I255 HydrophobicContact CG2-CG1 4.18Å; T218-I255 HydrophobicContact CG2-CG2 4.06Å; Q246-I255 HydrophobicContact CB-CG2 4.18Å; V247-I255 HydrophobicContact CG1-CG2 4.46Å; R252-I255 HydrophobicContact CB-CD1 3.87Å; R252-I255 HydrophobicContact CB-CG1 4.26Å; R252-I255 VanDerWaalsContact NH1-CD1 3.34Å; R252-I255 PolarHBondContact O-N 2.85Å; I255-R257 VanDerWaalsContact C-N 3.26Å; I255-R257 PolarHBondContact O-N 3.41Å; I255-Q258 PolarHBondContact O-N 3.09Å; I255-Q258 VanDerWaalsContact O-N 3.15Å; I255-E259 WeakPolarHBondContact O-CB 3.39Å; I255-E259 PolarHBondContact O-N 3.31Å |
| 256 | G | 92.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -30.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N260 | G256-N260 WeakPolarHBondContact O-CB 3.44Å; G256-N260 PolarHBondContact O-N 2.87Å; G256-N260 PolarHBondContact O-ND2 2.83Å |
| 257 | R | 92.3 | Very high | 92.2 | Very high | 165 Ų | 165 | 56.9 Ų | 56.9 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.8 | -38.6 | 174.4 | -78.2 | -177.2 | -69 | -176.8 | 0.8 | 112.9 | P253 W254 I255 Q261 | P253-R257 PolarHBondContact O-NE 2.92Å; P253-R257 PolarHBondContact O-NH2 2.79Å; W254-R257 PolarHBondContact O-N 2.95Å; I255-R257 VanDerWaalsContact C-N 3.26Å; I255-R257 PolarHBondContact O-N 3.41Å; R257-Q261 VanDerWaalsContact O-CB 3.3Å; R257-Q261 WeakPolarHBondContact O-CB 3.47Å; R257-Q261 PolarHBondContact O-N 2.79Å |
| 258 | Q | 94.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.7 | -35.8 | 175.5 | -70.8 | 168.1 | 18.4 | 0 | 0 | 111.1 | Q215 W219 T221 W254 I255 Q261 F262 | Q215-Q258 PolarHBondContact O-NE2 2.71Å; W219-Q258 HydrophobicContact CB-CB 3.88Å; T221-Q258 HydrophobicContact CG2-CB 4.13Å; T221-Q258 HydrophobicContact CG2-CG 4.19Å; W254-Q258 WeakPolarHBondContact O-CB 3.1Å; W254-Q258 VanDerWaalsContact O-CG 3.23Å; W254-Q258 WeakPolarHBondContact O-CG 3.49Å; W254-Q258 PolarHBondContact O-N 3.11Å; I255-Q258 PolarHBondContact O-N 3.09Å; I255-Q258 VanDerWaalsContact O-N 3.15Å; Q258-Q261 PolarHBondContact O-N 2.9Å; Q258-F262 WeakPolarHBondContact O-CB 3.42Å; Q258-F262 PolarHBondContact O-N 3.36Å |
| 259 | E | 96.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -55.5 | 174.7 | 170.1 | -83.1 | 137.8 | 0 | 0 | 111.4 | W219 V242 V247 I255 Q261 F262 V263 | W219-E259 HydrophobicContact CD2-CB 3.86Å; W219-E259 HydrophobicContact CD2-CG 4.28Å; W219-E259 HydrophobicContact CG-CB 3.84Å; W219-E259 HydrophobicContact CZ2-CG 4.35Å; V242-E259 HydrophobicContact CG1-CG 4.3Å; V247-E259 HydrophobicContact CG1-CB 4.12Å; V247-E259 HydrophobicContact CG1-CG 3.98Å; I255-E259 WeakPolarHBondContact O-CB 3.39Å; I255-E259 PolarHBondContact O-N 3.31Å; E259-Q261 PolarHBondContact O-N 2.94Å; E259-F262 WeakPolarHBondContact O-CB 3.45Å; E259-F262 PolarHBondContact O-N 2.91Å; E259-V263 WeakPolarHBondContact O-CG2 3.34Å; E259-V263 PolarHBondContact O-N 3.3Å |
| 260 | N | 93.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.1 | -39.3 | 176.3 | -95.7 | -114.7 | 0 | 0 | 0 | 111.7 | G256 Q264 | G256-N260 WeakPolarHBondContact O-CB 3.44Å; G256-N260 PolarHBondContact O-N 2.87Å; G256-N260 PolarHBondContact O-ND2 2.83Å; N260-Q264 WeakPolarHBondContact O-CB 3.3Å; N260-Q264 VanDerWaalsContact O-CG 3.24Å; N260-Q264 WeakPolarHBondContact O-CG 3.45Å; N260-Q264 PolarHBondContact O-N 3.13Å |
| 261 | Q | 95.6 | Very high | 92.1 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 177.7 | -170.7 | 171 | 30.8 | 0 | 0 | 112.8 | T221 R257 Q258 E259 L265 | T221-Q261 HydrophobicContact CG2-CB 3.98Å; T221-Q261 HydrophobicContact CG2-CG 3.94Å; R257-Q261 VanDerWaalsContact O-CB 3.3Å; R257-Q261 WeakPolarHBondContact O-CB 3.47Å; R257-Q261 PolarHBondContact O-N 2.79Å; Q258-Q261 PolarHBondContact O-N 2.9Å; E259-Q261 PolarHBondContact O-N 2.94Å; Q261-L265 HydrophobicContact CG-CD1 4.04Å; Q261-L265 HydrophobicContact CG-CG 4.46Å; Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 WeakPolarHBondContact O-CG 3.03Å; Q261-L265 PolarHBondContact O-N 2.85Å |
| 262 | F | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 172.4 | 167.6 | -102.7 | 0 | 0 | 0 | 111 | W207 W219 L220 L226 V240 Q258 E259 Q264 L265 M266 I273 | W207-F262 HydrophobicContact CD2-CZ 4.23Å; W207-F262 HydrophobicContact CE3-CE1 4.48Å; W207-F262 HydrophobicContact CE3-CZ 4.13Å; W207-F262 AromaticContact CH2-CZ 3.98Å; W207-F262 HydrophobicContact CH2-CZ 3.98Å; W207-F262 HydrophobicContact CZ2-CE2 4.45Å; W207-F262 HydrophobicContact CZ2-CZ 4.06Å; W207-F262 HydrophobicContact CZ3-CZ 4Å; W219-F262 HydrophobicContact CB-CB 4.02Å; W219-F262 AromaticContact CE3-CD1 3.69Å; W219-F262 HydrophobicContact CE3-CD1 3.69Å; W219-F262 HydrophobicContact CE3-CE1 4.05Å; W219-F262 HydrophobicContact CE3-CG 4.22Å; W219-F262 HydrophobicContact CZ3-CD1 4.17Å; W219-F262 HydrophobicContact CZ3-CE1 4.18Å; L220-F262 HydrophobicContact CB-CD2 3.91Å; L220-F262 HydrophobicContact CB-CE2 4.29Å; L220-F262 WeakPolarHBondContact O-CA 3.42Å; L220-F262 VanDerWaalsContact O-CB 3.31Å; L220-F262 WeakPolarHBondContact O-CB 3.45Å; L220-F262 WeakPolarHBondContact O-CD2 3.36Å; L226-F262 HydrophobicContact CD1-CD2 4.02Å; L226-F262 HydrophobicContact CD2-CD2 3.84Å; L226-F262 HydrophobicContact CD2-CE2 3.64Å; V240-F262 HydrophobicContact CG2-CD1 4.34Å; V240-F262 HydrophobicContact CG2-CE1 3.77Å; Q258-F262 WeakPolarHBondContact O-CB 3.42Å; Q258-F262 PolarHBondContact O-N 3.36Å; E259-F262 WeakPolarHBondContact O-CB 3.45Å; E259-F262 PolarHBondContact O-N 2.91Å; F262-Q264 PolarHBondContact O-N 2.91Å; F262-L265 PolarHBondContact O-N 2.63Å; F262-M266 HydrophobicContact CD2-CG 4.18Å; F262-M266 HydrophobicContact CE1-CG 4.32Å; F262-M266 HydrophobicContact CE2-CG 3.87Å; F262-M266 HydrophobicContact CE2-SD 4.33Å; F262-M266 HydrophobicContact CZ-CG 3.95Å; F262-M266 WeakPolarHBondContact O-CB 3.29Å; F262-M266 WeakPolarHBondContact O-CG 3.45Å; F262-M266 PolarHBondContact O-N 3.38Å; F262-I273 HydrophobicContact CE1-CD1 4.29Å |
| 263 | V | 95.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 178 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V240 E259 L265 M266 M267 V275 | V240-V263 HydrophobicContact CG2-CG2 4.49Å; E259-V263 WeakPolarHBondContact O-CG2 3.34Å; E259-V263 PolarHBondContact O-N 3.3Å; V263-L265 VanDerWaalsContact C-N 3.31Å; V263-L265 PolarHBondContact O-N 3.4Å; V263-M266 PolarHBondContact O-N 3.35Å; V263-M267 HydrophobicContact CG1-CE 3.76Å; V263-M267 HydrophobicContact CG1-SD 3.89Å; V263-M267 WeakPolarHBondContact O-CG 3.29Å; V263-M267 PolarHBondContact O-N 2.85Å; V263-V275 HydrophobicContact CB-CG2 4.45Å; V263-V275 HydrophobicContact CG1-CG2 3.76Å; V263-V275 HydrophobicContact CG2-CG1 4.45Å; V263-V275 HydrophobicContact CG2-CG2 3.77Å |
| 264 | Q | 94.8 | Very high | 93.1 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.7 | -39.6 | 177.6 | -74.6 | 173.9 | 11.9 | 0 | 0 | 112.6 | N260 F262 A268 | N260-Q264 WeakPolarHBondContact O-CB 3.3Å; N260-Q264 VanDerWaalsContact O-CG 3.24Å; N260-Q264 WeakPolarHBondContact O-CG 3.45Å; N260-Q264 PolarHBondContact O-N 3.13Å; F262-Q264 PolarHBondContact O-N 2.91Å; Q264-A268 WeakPolarHBondContact O-CB 3.24Å; Q264-A268 PolarHBondContact O-N 2.81Å |
| 265 | L | 96.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.2 | -29.8 | 179 | -72.3 | 173.8 | 0 | 0 | 0 | 113.5 | T221 L226 Q261 F262 V263 A269 | T221-L265 VanDerWaalsContact O-CD1 3.31Å; T221-L265 WeakPolarHBondContact O-CD1 2.92Å; L226-L265 HydrophobicContact CD1-CB 3.51Å; L226-L265 HydrophobicContact CD1-CD1 4.06Å; L226-L265 HydrophobicContact CD1-CG 4.46Å; Q261-L265 HydrophobicContact CG-CD1 4.04Å; Q261-L265 HydrophobicContact CG-CG 4.46Å; Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 WeakPolarHBondContact O-CG 3.03Å; Q261-L265 PolarHBondContact O-N 2.85Å; F262-L265 PolarHBondContact O-N 2.63Å; V263-L265 VanDerWaalsContact C-N 3.31Å; V263-L265 PolarHBondContact O-N 3.4Å; L265-A269 VanDerWaalsContact O-CB 3.31Å; L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.34Å |
| 266 | M | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.1 | -47.9 | 172.3 | -75.1 | -68.7 | -77.7 | 0 | 0 | 111.2 | L226 L229 V230 F238 F262 V263 A268 A269 G270 A271 I273 | L226-M266 HydrophobicContact CB-SD 4.12Å; L226-M266 HydrophobicContact CD1-CG 4.48Å; L226-M266 HydrophobicContact CD2-CG 4.36Å; L226-M266 HydrophobicContact CD2-SD 3.82Å; L226-M266 HydrophobicContact CG-SD 4.41Å; L229-M266 HydrophobicContact CD2-CE 3.94Å; L229-M266 HydrophobicContact CD2-SD 4Å; V230-M266 HydrophobicContact CG2-CE 3.91Å; V230-M266 HydrophobicContact CG2-SD 3.81Å; F238-M266 HydrophobicContact CB-CE 4.01Å; F238-M266 HydrophobicContact CD1-CE 3.57Å; F238-M266 HydrophobicContact CD2-CE 3.67Å; F238-M266 HydrophobicContact CE1-CE 3.89Å; F238-M266 HydrophobicContact CE2-CE 3.99Å; F238-M266 HydrophobicContact CG-CE 3.44Å; F238-M266 VanDerWaalsContact CG-CE 3.44Å; F238-M266 HydrophobicContact CZ-CE 4.09Å; F262-M266 HydrophobicContact CD2-CG 4.18Å; F262-M266 HydrophobicContact CE1-CG 4.32Å; F262-M266 HydrophobicContact CE2-CG 3.87Å; F262-M266 HydrophobicContact CE2-SD 4.33Å; F262-M266 HydrophobicContact CZ-CG 3.95Å; F262-M266 WeakPolarHBondContact O-CB 3.29Å; F262-M266 WeakPolarHBondContact O-CG 3.45Å; F262-M266 PolarHBondContact O-N 3.38Å; V263-M266 PolarHBondContact O-N 3.35Å; M266-A268 PolarHBondContact O-N 3.08Å; M266-A269 WeakPolarHBondContact O-CB 3.45Å; M266-A269 PolarHBondContact O-N 3.11Å; M266-G270 PolarHBondContact O-N 2.74Å; M266-A271 HydrophobicContact CB-CB 4.05Å; M266-A271 HydrophobicContact CE-CB 3.86Å; M266-A271 WeakPolarHBondContact O-CB 3.39Å; M266-A271 PolarHBondContact O-N 2.64Å; M266-A271 VanDerWaalsContact O-N 3.13Å; M266-I273 HydrophobicContact CB-CD1 3.72Å; M266-I273 HydrophobicContact CB-CG2 4.41Å; M266-I273 HydrophobicContact CE-CD1 4.47Å; M266-I273 HydrophobicContact CG-CD1 4.05Å |
| 267 | M | 90.7 | Very high | 93.6 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 53% | 0.527 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.5 | -70 | 176.8 | 172.1 | 0 | 0 | 111.3 | V263 A269 G270 I273 | V263-M267 HydrophobicContact CG1-CE 3.76Å; V263-M267 HydrophobicContact CG1-SD 3.89Å; V263-M267 WeakPolarHBondContact O-CG 3.29Å; V263-M267 PolarHBondContact O-N 2.85Å; M267-A269 PolarHBondContact O-N 2.79Å; M267-A269 VanDerWaalsContact O-N 3.1Å; M267-G270 PolarHBondContact O-N 3.26Å; M267-I273 HydrophobicContact CE-CG2 4.07Å; M267-I273 HydrophobicContact CG-CG2 3.59Å |
| 268 | A | 88.2 | Confident | 93.5 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 1.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q264 M266 | Q264-A268 WeakPolarHBondContact O-CB 3.24Å; Q264-A268 PolarHBondContact O-N 2.81Å; M266-A268 PolarHBondContact O-N 3.08Å |
| 269 | A | 90.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K227 V230 L265 M266 M267 | K227-A269 HydrophobicContact CG-CB 3.78Å; V230-A269 HydrophobicContact CB-CB 4.19Å; V230-A269 WeakPolarHBondContact CG1-O 3.37Å; V230-A269 HydrophobicContact CG2-CB 3.96Å; L265-A269 VanDerWaalsContact O-CB 3.31Å; L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.34Å; M266-A269 WeakPolarHBondContact O-CB 3.45Å; M266-A269 PolarHBondContact O-N 3.11Å; M267-A269 PolarHBondContact O-N 2.79Å; M267-A269 VanDerWaalsContact O-N 3.1Å |
| 270 | G | 87.9 | Confident | 93 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 62% | 0.619 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 30.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M266 M267 | M266-G270 PolarHBondContact O-N 2.74Å; M267-G270 PolarHBondContact O-N 3.26Å |
| 271 | A | 91.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | trans | -76.1 | 137.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V230 F238 M266 I273 | V230-A271 HydrophobicContact CG1-CB 4.33Å; V230-A271 HydrophobicContact CG2-CB 3.71Å; F238-A271 HydrophobicContact CD2-CB 3.89Å; F238-A271 HydrophobicContact CE2-CB 4.28Å; M266-A271 HydrophobicContact CB-CB 4.05Å; M266-A271 HydrophobicContact CE-CB 3.86Å; M266-A271 WeakPolarHBondContact O-CB 3.39Å; M266-A271 PolarHBondContact O-N 2.64Å; M266-A271 VanDerWaalsContact O-N 3.13Å; A271-I273 VanDerWaalsContact C-N 3.29Å; A271-I273 HydrophobicContact CB-CB 4.05Å; A271-I273 HydrophobicContact CB-CG2 4.02Å; A271-I273 PolarHBondContact O-N 2.9Å | ||
| 272 | D | 92.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | trans | -71 | 88.8 | 156.4 | -178.3 | 16.3 | 0 | 0 | 0 | 108.5 | K237 F238 F299 | K237-D272 WeakPolarHBondContact CD-OD2 3.5Å; K237-D272 WeakPolarHBondContact CE-OD2 3.46Å; K237-D272 WeakPolarHBondContact CG-OD2 3.49Å; K237-D272 IonicContact NZ-OD2 2.68Å; K237-D272 PolarHBondContact NZ-OD2 2.81Å; F238-D272 PolarHBondContact N-O 2.71Å; D272-F299 WeakPolarHBondContact OD1-CZ 3.3Å | ||
| 273 | I | 95.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.9 | -174.9 | -170.1 | 169.6 | 0 | 0 | 0 | 112.4 | F238 V240 F262 M266 M267 A271 | F238-I273 HydrophobicContact CB-CB 4.02Å; F238-I273 HydrophobicContact CB-CD1 4.24Å; F238-I273 HydrophobicContact CB-CG1 3.91Å; F238-I273 VanDerWaalsContact O-CA 3.28Å; F238-I273 WeakPolarHBondContact O-CA 3.42Å; V240-I273 HydrophobicContact CG2-CD1 4.18Å; F262-I273 HydrophobicContact CE1-CD1 4.29Å; M266-I273 HydrophobicContact CB-CD1 3.72Å; M266-I273 HydrophobicContact CB-CG2 4.41Å; M266-I273 HydrophobicContact CE-CD1 4.47Å; M266-I273 HydrophobicContact CG-CD1 4.05Å; M267-I273 HydrophobicContact CE-CG2 4.07Å; M267-I273 HydrophobicContact CG-CG2 3.59Å; A271-I273 VanDerWaalsContact C-N 3.29Å; A271-I273 HydrophobicContact CB-CB 4.05Å; A271-I273 HydrophobicContact CB-CG2 4.02Å; A271-I273 PolarHBondContact O-N 2.9Å |
| 274 | R | 92.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 72 Ų | 72 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 145.3 | 170.1 | -68.8 | -72.3 | -180 | 152.3 | -4.7 | 110.9 | F238 Q239 V240 F276 F299 | F238-R274 PolarHBondContact O-N 2.94Å; Q239-R274 WeakPolarHBondContact CA-O 3.37Å; V240-R274 PolarHBondContact N-O 3.24Å; R274-F276 HydrophobicContact CB-CE2 3.8Å; R274-F276 HydrophobicContact CB-CZ 4.1Å; R274-F299 HydrophobicContact CB-CB 4.37Å; R274-F299 HydrophobicContact CB-CD1 3.72Å; R274-F299 HydrophobicContact CB-CE1 4.07Å; R274-F299 HydrophobicContact CB-CG 3.99Å; R274-F299 HydrophobicContact CG-CB 4.13Å; R274-F299 HydrophobicContact CG-CD1 3.72Å; R274-F299 HydrophobicContact CG-CD2 3.66Å; R274-F299 HydrophobicContact CG-CE1 3.94Å; R274-F299 HydrophobicContact CG-CE2 3.87Å; R274-F299 HydrophobicContact CG-CG 3.58Å; R274-F299 HydrophobicContact CG-CZ 4Å |
| 275 | V | 94.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 67.9 Ų | 67.9 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.1 | -176.7 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | V240 V263 | V240-V275 HydrophobicContact CB-CB 4.45Å; V240-V275 HydrophobicContact CB-CG1 4.15Å; V240-V275 HydrophobicContact CB-CG2 4.19Å; V240-V275 HydrophobicContact CG1-CG1 4.01Å; V240-V275 CarbonylContact O-C 3.5Å; V240-V275 VanDerWaalsContact O-CA 3.28Å; V240-V275 WeakPolarHBondContact O-CA 3.42Å; V263-V275 HydrophobicContact CB-CG2 4.45Å; V263-V275 HydrophobicContact CG1-CG2 3.76Å; V263-V275 HydrophobicContact CG2-CG1 4.45Å; V263-V275 HydrophobicContact CG2-CG2 3.77Å |
| 276 | F | 94.2 | Very high | 91.1 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.9 | -176.5 | -60.5 | -80.6 | 0 | 0 | 0 | 110.8 | Q239 V240 D241 V242 R274 F299 | Q239-F276 HydrophobicContact CG-CD2 4.15Å; Q239-F276 HydrophobicContact CG-CE2 4.07Å; V240-F276 PolarHBondContact O-N 2.83Å; D241-F276 WeakPolarHBondContact CA-O 3.49Å; V242-F276 PolarHBondContact N-O 2.74Å; R274-F276 HydrophobicContact CB-CE2 3.8Å; R274-F276 HydrophobicContact CB-CZ 4.1Å; F276-F299 HydrophobicContact CE2-CB 4.35Å; F276-F299 HydrophobicContact CZ-CB 4.19Å |
| 277 | M | 93.5 | Very high | 90.9 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 99.8 | 172.5 | -179.1 | 75.5 | 61.1 | 0 | 0 | 108.9 | V242 P244 V247 E280 | V242-M277 HydrophobicContact CG2-CE 4.08Å; V242-M277 HydrophobicContact CG2-SD 4.18Å; V242-M277 CarbonylContact O-C 3.5Å; V242-M277 WeakPolarHBondContact O-CA 3.41Å; P244-M277 HydrophobicContact CG-SD 4.43Å; V247-M277 HydrophobicContact CG2-CE 3.68Å; V247-M277 HydrophobicContact CG2-SD 3.82Å; M277-E280 HydrophobicContact CG-CB 3.86Å; M277-E280 HydrophobicContact CG-CG 3.78Å |
| 278 | H | 91.2 | Very high | 91.1 | Very high | 28 Ų | 28 | 68 Ų | 68 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 147.1 | 178.9 | -67 | -76.2 | 0 | 0 | 0 | 111.7 | D241 V242 P244 E280 V292 Q295 | D241-H278 IonicContact OD1-CD2 3.85Å; D241-H278 IonicContact OD1-CE1 3.38Å; D241-H278 IonicContact OD1-NE2 2.67Å; D241-H278 PolarHBondContact OD1-NE2 3.45Å; V242-H278 PolarHBondContact O-N 3.32Å; P244-H278 WeakPolarHBondContact CD-O 3.19Å; H278-E280 PolarHBondContact O-N 2.89Å; H278-V292 HydrophobicContact CB-CG2 4.32Å; H278-Q295 WeakPolarHBondContact ND1-CB 3.47Å |
| 279 | F | 93.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 30.3 | 174.6 | -37.2 | -65.1 | 0 | 0 | 0 | 114.4 | N281 E282 N288 R291 V292 Q295 | F279-N281 PolarHBondContact O-N 2.8Å; F279-E282 HydrophobicContact CB-CB 4.06Å; F279-E282 HydrophobicContact CB-CG 4.08Å; F279-E282 WeakPolarHBondContact CD1-OE1 3.45Å; F279-E282 PolarHBondContact O-N 2.85Å; F279-N288 HydrophobicContact CB-CB 4.39Å; F279-N288 HydrophobicContact CD2-CB 3.71Å; F279-N288 WeakPolarHBondContact CD2-O 3.34Å; F279-N288 HydrophobicContact CE2-CB 4.32Å; F279-N288 WeakPolarHBondContact CE2-O 3.45Å; F279-N288 HydrophobicContact CG-CB 4.12Å; F279-R291 HydrophobicContact CE1-CB 4.12Å; F279-R291 VanDerWaalsContact CE1-CZ 3.42Å; F279-R291 HydrophobicContact CE2-CB 3.71Å; F279-R291 HydrophobicContact CZ-CB 3.34Å; F279-V292 HydrophobicContact CE2-CG2 4.08Å; F279-Q295 HydrophobicContact CE1-CG 3.77Å; F279-Q295 HydrophobicContact CZ-CB 4.31Å; F279-Q295 HydrophobicContact CZ-CG 3.5Å; F279-Q295 VanDerWaalsContact CZ-CG 3.5Å |
| 280 | E | 86.3 | Confident | 91.6 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31 | -172.7 | -163.4 | 180 | 179.5 | 0 | 0 | 114.1 | R248 M277 H278 | R248-E280 IonicContact CZ-OE1 3.83Å; R248-E280 IonicContact NH1-OE1 2.72Å; R248-E280 PolarHBondContact NH1-OE1 3.39Å; R248-E280 IonicContact NH2-OE1 2.73Å; R248-E280 PolarHBondContact NH2-OE1 3.36Å; M277-E280 HydrophobicContact CG-CB 3.86Å; M277-E280 HydrophobicContact CG-CG 3.78Å; H278-E280 PolarHBondContact O-N 2.89Å |
| 281 | N | 86.9 | Confident | 92 | Very high | 166 Ų | 166 | 63.4 Ų | 63.4 | 89% | 0.888 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -4.9 | 179.6 | -63.2 | -44.2 | 0 | 0 | 0 | 114 | F279 | F279-N281 PolarHBondContact O-N 2.8Š|
| 282 | E | 89.3 | Confident | 92.2 | Very high | 87 Ų | 87 | 62.6 Ų | 62.6 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -91.7 | 166.1 | 175.9 | -58.3 | -171.5 | -154.3 | 0 | 0 | 111.1 | F279 N288 R291 | F279-E282 HydrophobicContact CB-CB 4.06Å; F279-E282 HydrophobicContact CB-CG 4.08Å; F279-E282 WeakPolarHBondContact CD1-OE1 3.45Å; F279-E282 PolarHBondContact O-N 2.85Å; E282-N288 PolarHBondContact OE2-ND2 2.68Å; E282-N288 PolarHBondContact OE2-OD1 3.39Å; E282-R291 VanDerWaalsContact CD-NH1 3.29Å; E282-R291 IonicContact OE1-CZ 3.38Å; E282-R291 IonicContact OE1-NH1 3.31Å; E282-R291 PolarHBondContact OE1-NH1 3.47Å; E282-R291 IonicContact OE1-NH2 3.43Å; E282-R291 PolarHBondContact OE1-NH2 3.05Å; E282-R291 IonicContact OE2-NH1 2.83Å; E282-R291 PolarHBondContact OE2-NH1 3.11Å |
| 283 | K | 84.6 | Confident | 92.4 | Very high | 184 Ų | 184 | 59.8 Ų | 59.8 | 80% | 0.8 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 143.8 | 168.6 | -86.7 | -171.4 | 173.7 | -175.3 | 0 | 110.3 | S285 N288 | K283-S285 PolarHBondContact O-N 3.19Å; K283-N288 PolarHBondContact O-ND2 3.32Å |
| 284 | P | 88.6 | Confident | 92.2 | Very high | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 129.1 | 166.5 | -21.7 | 31.6 | 0 | 0 | 0 | 110.9 | P244 | P244-P284 HydrophobicContact CB-CB 4.23Å; P244-P284 HydrophobicContact CB-CG 3.86Å |
| 285 | S | 92.6 | Very high | 92.1 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -154 | 154.1 | 179.6 | 72.4 | 0 | 0 | 0 | 0 | 111 | Y245 K283 E287 N288 H289 | Y245-S285 WeakPolarHBondContact CB-O 3.33Å; Y245-S285 WeakPolarHBondContact CD2-O 3.44Å; K283-S285 PolarHBondContact O-N 3.19Å; S285-E287 VanDerWaalsContact C-N 3.27Å; S285-E287 PolarHBondContact O-N 2.98Å; S285-N288 PolarHBondContact O-N 2.82Å; S285-N288 VanDerWaalsContact O-N 3.11Å; S285-N288 VanDerWaalsContact OG-CB 3.3Å; S285-N288 WeakPolarHBondContact OG-CB 3.48Å; S285-N288 PolarHBondContact OG-N 3.04Å; S285-H289 PolarHBondContact O-N 2.86Å; S285-H289 VanDerWaalsContact O-N 3.08Å | ||
| 286 | I | 91.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.6 | -26 | 176.5 | -165.9 | 171.6 | 0 | 0 | 0 | 112.2 | F88 Y245 N288 H289 F290 | F88-I286 HydrophobicContact CE1-CG2 3.89Å; F88-I286 HydrophobicContact CZ-CD1 4.2Å; F88-I286 HydrophobicContact CZ-CG1 4.49Å; F88-I286 HydrophobicContact CZ-CG2 3.71Å; Y245-I286 HydrophobicContact CE1-CB 4.44Å; Y245-I286 HydrophobicContact CE1-CG1 4.31Å; Y245-I286 HydrophobicContact CE2-CB 3.96Å; I286-N288 VanDerWaalsContact C-N 3.34Å; I286-H289 VanDerWaalsContact O-CB 3.3Å; I286-H289 WeakPolarHBondContact O-CB 3.05Å; I286-H289 PolarHBondContact O-N 2.78Å; I286-F290 HydrophobicContact CD1-CE2 4.3Å; I286-F290 HydrophobicContact CG1-CD2 4.4Å; I286-F290 HydrophobicContact CG1-CE2 3.87Å; I286-F290 WeakPolarHBondContact O-CD2 3.49Å; I286-F290 PolarHBondContact O-N 2.95Å |
| 287 | E | 93.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 167.2 | 176.5 | 72.4 | 137.8 | 0 | 0 | 110.8 | R90 W91 S285 H289 F290 R291 | R90-E287 IonicContact CZ-OE1 3.43Å; R90-E287 IonicContact CZ-OE2 2.74Å; R90-E287 IonicContact NH2-OE1 2.82Å; R90-E287 PolarHBondContact NH2-OE1 2.75Å; R90-E287 IonicContact NH2-OE2 3.9Å; R90-E287 PolarHBondContact NH2-OE2 2.81Å; W91-E287 PolarHBondContact NE1-OE2 3.07Å; S285-E287 VanDerWaalsContact C-N 3.27Å; S285-E287 PolarHBondContact O-N 2.98Å; E287-H289 VanDerWaalsContact C-N 3.29Å; E287-H289 PolarHBondContact O-N 3.25Å; E287-F290 PolarHBondContact O-N 2.91Å; E287-R291 HydrophobicContact CG-CG 4.35Å; E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 WeakPolarHBondContact O-CG 3.18Å; E287-R291 PolarHBondContact O-N 2.89Å |
| 288 | N | 93.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -24.3 | 177.2 | -72.8 | -2.7 | 0 | 0 | 0 | 113.1 | F279 E282 K283 S285 I286 R291 | F279-N288 HydrophobicContact CB-CB 4.39Å; F279-N288 HydrophobicContact CD2-CB 3.71Å; F279-N288 WeakPolarHBondContact CD2-O 3.34Å; F279-N288 HydrophobicContact CE2-CB 4.32Å; F279-N288 WeakPolarHBondContact CE2-O 3.45Å; F279-N288 HydrophobicContact CG-CB 4.12Å; E282-N288 PolarHBondContact OE2-ND2 2.68Å; E282-N288 PolarHBondContact OE2-OD1 3.39Å; K283-N288 PolarHBondContact O-ND2 3.32Å; S285-N288 PolarHBondContact O-N 2.82Å; S285-N288 VanDerWaalsContact O-N 3.11Å; S285-N288 VanDerWaalsContact OG-CB 3.3Å; S285-N288 WeakPolarHBondContact OG-CB 3.48Å; S285-N288 PolarHBondContact OG-N 3.04Å; I286-N288 VanDerWaalsContact C-N 3.34Å; N288-R291 WeakPolarHBondContact OD1-CD 3.49Å; N288-R291 PolarHBondContact OD1-NH1 2.97Å |
| 289 | H | 94.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -52 | 167.7 | -179.4 | 43.3 | 0 | 0 | 0 | 111.1 | F174 S175 D209 Y245 Q246 S285 I286 E287 V292 | F174-H289 AromaticContact CE1-NE2 3.95Å; F174-H289 AromaticContact CE2-CE1 3.69Å; F174-H289 AromaticContact CE2-ND1 3.93Å; F174-H289 VanDerWaalsContact CE2-O 3.29Å; F174-H289 WeakPolarHBondContact CE2-O 3.2Å; F174-H289 AromaticContact CZ-CD2 3.81Å; F174-H289 AromaticContact CZ-CE1 3.45Å; F174-H289 VanDerWaalsContact CZ-CE1 3.45Å; F174-H289 WeakPolarHBondContact CZ-CE1 3.16Å; F174-H289 AromaticContact CZ-ND1 3.82Å; F174-H289 AromaticContact CZ-NE2 3.49Å; F174-H289 WeakPolarHBondContact CZ-NE2 3.36Å; S175-H289 VanDerWaalsContact CB-CE1 3.45Å; S175-H289 WeakPolarHBondContact CB-CE1 3.28Å; S175-H289 VanDerWaalsContact CB-NE2 3.3Å; S175-H289 WeakPolarHBondContact CB-NE2 3.45Å; S175-H289 PolarHBondContact OG-CE1 2.89Å; S175-H289 PolarHBondContact OG-NE2 3.08Å; D209-H289 PolarHBondContact O-CE1 3.23Å; D209-H289 IonicContact OD2-CE1 3.49Å; D209-H289 IonicContact OD2-CG 2.84Å; D209-H289 IonicContact OD2-ND1 3.12Å; D209-H289 PolarHBondContact OD2-ND1 2.83Å; Y245-H289 HydrophobicContact CD1-CB 3.55Å; Y245-H289 AromaticContact CD1-CG 3.84Å; Y245-H289 HydrophobicContact CE1-CB 4.03Å; Y245-H289 HydrophobicContact CG-CB 4.16Å; Q246-H289 PolarHBondContact NE2-CE1 2.65Å; Q246-H289 VanDerWaalsContact NE2-CE1 3.26Å; S285-H289 PolarHBondContact O-N 2.86Å; S285-H289 VanDerWaalsContact O-N 3.08Å; I286-H289 VanDerWaalsContact O-CB 3.3Å; I286-H289 WeakPolarHBondContact O-CB 3.05Å; I286-H289 PolarHBondContact O-N 2.78Å; E287-H289 VanDerWaalsContact C-N 3.29Å; E287-H289 PolarHBondContact O-N 3.25Å; H289-V292 WeakPolarHBondContact O-CB 3.3Å; H289-V292 PolarHBondContact O-N 3Å |
| 290 | F | 95.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.3 | -34.5 | 179 | -63 | -68.4 | 0 | 0 | 0 | 113.5 | V72 Q73 F88 W91 F174 I286 E287 V292 I293 | V72-F290 HydrophobicContact CB-CE1 4.41Å; V72-F290 HydrophobicContact CB-CZ 3.8Å; V72-F290 HydrophobicContact CG1-CZ 4.11Å; V72-F290 HydrophobicContact CG2-CZ 4.02Å; Q73-F290 HydrophobicContact CG-CE1 4.24Å; F88-F290 HydrophobicContact CB-CE2 4.39Å; F88-F290 AromaticContact CD1-CD2 3.82Å; F88-F290 HydrophobicContact CD1-CD2 3.82Å; F88-F290 AromaticContact CD1-CE2 3.55Å; F88-F290 HydrophobicContact CD1-CE2 3.55Å; F88-F290 HydrophobicContact CD2-CE2 4.42Å; F88-F290 HydrophobicContact CE1-CD2 4.25Å; F88-F290 AromaticContact CE1-CE2 3.94Å; F88-F290 HydrophobicContact CE1-CE2 3.94Å; F88-F290 HydrophobicContact CG-CD2 4.46Å; F88-F290 AromaticContact CG-CE2 3.84Å; F88-F290 HydrophobicContact CG-CE2 3.84Å; F88-F290 HydrophobicContact CG-CZ 4.49Å; W91-F290 HydrophobicContact CB-CD1 4.21Å; W91-F290 HydrophobicContact CB-CG 4.43Å; W91-F290 AromaticContact CD1-CD2 3.8Å; W91-F290 AromaticContact CD1-CG 3.69Å; W91-F290 HydrophobicContact CD2-CB 3.55Å; W91-F290 HydrophobicContact CD2-CG 4.19Å; W91-F290 HydrophobicContact CE3-CB 4.16Å; W91-F290 HydrophobicContact CG-CB 3.79Å; W91-F290 HydrophobicContact CG-CD1 4.14Å; W91-F290 HydrophobicContact CG-CD2 4.42Å; W91-F290 AromaticContact CG-CG 3.89Å; W91-F290 HydrophobicContact CG-CG 3.89Å; W91-F290 HydrophobicContact CH2-CB 4.24Å; W91-F290 WeakPolarHBondContact CH2-O 3.48Å; W91-F290 HydrophobicContact CZ2-CB 3.63Å; W91-F290 HydrophobicContact CZ3-CB 4.47Å; W91-F290 WeakPolarHBondContact CZ3-O 3.22Å; W91-F290 AromaticContact NE1-CD2 4Å; W91-F290 AromaticContact NE1-CG 3.86Å; F174-F290 AromaticContact CE1-CD1 3.73Å; F174-F290 HydrophobicContact CE1-CD1 3.73Å; F174-F290 AromaticContact CE1-CE1 3.92Å; F174-F290 HydrophobicContact CE1-CE1 3.92Å; F174-F290 AromaticContact CZ-CD1 3.76Å; F174-F290 HydrophobicContact CZ-CD1 3.76Å; F174-F290 HydrophobicContact CZ-CE1 4.27Å; I286-F290 HydrophobicContact CD1-CE2 4.3Å; I286-F290 HydrophobicContact CG1-CD2 4.4Å; I286-F290 HydrophobicContact CG1-CE2 3.87Å; I286-F290 WeakPolarHBondContact O-CD2 3.49Å; I286-F290 PolarHBondContact O-N 2.95Å; E287-F290 PolarHBondContact O-N 2.91Å; F290-V292 PolarHBondContact O-N 2.99Å; F290-I293 WeakPolarHBondContact O-CB 3.5Å; F290-I293 WeakPolarHBondContact O-CG1 3.36Å; F290-I293 PolarHBondContact O-N 3.44Å |
| 291 | R | 95.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.3 | -16 | 176.1 | -73.2 | 172.5 | 66.1 | -148.3 | 3.2 | 113.7 | W91 F279 E282 E287 N288 I293 E294 Q295 | W91-R291 HydrophobicContact CH2-CG 4.39Å; W91-R291 HydrophobicContact CZ2-CG 4.05Å; F279-R291 HydrophobicContact CE1-CB 4.12Å; F279-R291 VanDerWaalsContact CE1-CZ 3.42Å; F279-R291 HydrophobicContact CE2-CB 3.71Å; F279-R291 HydrophobicContact CZ-CB 3.34Å; E282-R291 VanDerWaalsContact CD-NH1 3.29Å; E282-R291 IonicContact OE1-CZ 3.38Å; E282-R291 IonicContact OE1-NH1 3.31Å; E282-R291 PolarHBondContact OE1-NH1 3.47Å; E282-R291 IonicContact OE1-NH2 3.43Å; E282-R291 PolarHBondContact OE1-NH2 3.05Å; E282-R291 IonicContact OE2-NH1 2.83Å; E282-R291 PolarHBondContact OE2-NH1 3.11Å; E287-R291 HydrophobicContact CG-CG 4.35Å; E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 WeakPolarHBondContact O-CG 3.18Å; E287-R291 PolarHBondContact O-N 2.89Å; N288-R291 WeakPolarHBondContact OD1-CD 3.49Å; N288-R291 PolarHBondContact OD1-NH1 2.97Å; R291-I293 PolarHBondContact O-N 2.86Å; R291-E294 PolarHBondContact O-N 2.82Å; R291-E294 VanDerWaalsContact O-N 3.13Å; R291-Q295 PolarHBondContact O-N 2.86Å |
| 292 | V | 95.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -34.3 | 167.6 | 178 | 0 | 0 | 0 | 0 | 111.3 | L208 D209 D241 H278 F279 H289 F290 Q295 F296 | L208-V292 HydrophobicContact CB-CG1 4.28Å; D209-V292 HydrophobicContact CB-CG1 4.48Å; D209-V292 HydrophobicContact CB-CG2 4.16Å; D241-V292 HydrophobicContact CB-CG1 3.7Å; H278-V292 HydrophobicContact CB-CG2 4.32Å; F279-V292 HydrophobicContact CE2-CG2 4.08Å; H289-V292 WeakPolarHBondContact O-CB 3.3Å; H289-V292 PolarHBondContact O-N 3Å; F290-V292 PolarHBondContact O-N 2.99Å; V292-Q295 PolarHBondContact O-N 3.33Å; V292-F296 WeakPolarHBondContact O-CA 3.21Å; V292-F296 VanDerWaalsContact O-CB 3.31Å; V292-F296 WeakPolarHBondContact O-CB 3.46Å; V292-F296 PolarHBondContact O-N 2.92Å |
| 293 | I | 95.8 | Very high | 86.3 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 176.1 | -54.4 | 175.3 | 0 | 0 | 0 | 111.3 | F67 W91 V96 L100 F174 F290 R291 | F67-I293 HydrophobicContact CZ-CD1 4.49Å; W91-I293 HydrophobicContact CZ3-CB 4.12Å; V96-I293 HydrophobicContact CG1-CD1 4.36Å; V96-I293 HydrophobicContact CG1-CG2 3.97Å; V96-I293 HydrophobicContact CG2-CD1 4.39Å; L100-I293 HydrophobicContact CD2-CG2 4.27Å; L100-I293 HydrophobicContact CG-CG2 4.37Å; F174-I293 HydrophobicContact CD1-CD1 3.85Å; F174-I293 HydrophobicContact CD1-CG1 4.48Å; F174-I293 HydrophobicContact CD2-CD1 4.07Å; F174-I293 HydrophobicContact CD2-CG1 3.8Å; F174-I293 HydrophobicContact CE1-CD1 3.95Å; F174-I293 HydrophobicContact CE2-CD1 4.17Å; F174-I293 HydrophobicContact CE2-CG1 3.96Å; F174-I293 HydrophobicContact CG-CD1 3.91Å; F174-I293 HydrophobicContact CG-CG1 4.08Å; F174-I293 HydrophobicContact CZ-CD1 4.11Å; F174-I293 HydrophobicContact CZ-CG1 4.37Å; F290-I293 WeakPolarHBondContact O-CB 3.5Å; F290-I293 WeakPolarHBondContact O-CG1 3.36Å; F290-I293 PolarHBondContact O-N 3.44Å; R291-I293 PolarHBondContact O-N 2.86Å |
| 294 | E | 91.7 | Very high | 83.8 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.1 | -36.3 | 175.1 | -92.8 | 176 | 162.1 | 0 | 0 | 112.6 | R90 W91 M99 R291 R297 | R90-E294 IonicContact CZ-OE2 3.69Å; R90-E294 IonicContact NH1-OE1 3.72Å; R90-E294 PolarHBondContact NH1-OE1 2.88Å; R90-E294 IonicContact NH1-OE2 3.79Å; R90-E294 PolarHBondContact NH1-OE2 2.87Å; W91-E294 HydrophobicContact CH2-CB 4.09Å; W91-E294 HydrophobicContact CH2-CG 3.57Å; W91-E294 HydrophobicContact CZ3-CG 3.89Å; M99-E294 HydrophobicContact CE-CG 3.71Å; M99-E294 VanDerWaalsContact CE-OE1 3.31Å; M99-E294 WeakPolarHBondContact CE-OE1 3.49Å; M99-E294 HydrophobicContact SD-CG 3.87Å; R291-E294 PolarHBondContact O-N 2.82Å; R291-E294 VanDerWaalsContact O-N 3.13Å; E294-R297 PolarHBondContact O-NH1 3.02Å; E294-R297 PolarHBondContact O-NH2 3.37Å; E294-R297 VanDerWaalsContact O-NH2 3.17Å |
| 295 | Q | 91.6 | Very high | 81.1 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -89.7 | -13.5 | -178.2 | -64.1 | -59.8 | -34.2 | 0 | 0 | 114.5 | H278 F279 R291 V292 R297 | H278-Q295 WeakPolarHBondContact ND1-CB 3.47Å; F279-Q295 HydrophobicContact CE1-CG 3.77Å; F279-Q295 HydrophobicContact CZ-CB 4.31Å; F279-Q295 HydrophobicContact CZ-CG 3.5Å; F279-Q295 VanDerWaalsContact CZ-CG 3.5Å; R291-Q295 PolarHBondContact O-N 2.86Å; V292-Q295 PolarHBondContact O-N 3.33Å; Q295-R297 PolarHBondContact O-N 3.19Å; Q295-R297 VanDerWaalsContact O-N 3.15Å |
| 296 | F | 93.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -56.4 | 119.7 | -179.8 | 169.1 | -112.6 | 0 | 0 | 0 | 111.1 | L100 F104 I172 C206 L208 Q239 V292 P298 | L100-F296 HydrophobicContact CD2-CD1 3.88Å; L100-F296 HydrophobicContact CD2-CE1 4.39Å; F104-F296 AromaticContact CE2-CE1 3.98Å; F104-F296 HydrophobicContact CE2-CE1 3.98Å; F104-F296 HydrophobicContact CZ-CE1 4.09Å; F104-F296 HydrophobicContact CZ-CZ 4.47Å; I172-F296 HydrophobicContact CD1-CE1 3.79Å; I172-F296 HydrophobicContact CD1-CZ 4.12Å; C206-F296 HydrophobicContact CB-CE2 4.2Å; C206-F296 HydrophobicContact CB-CZ 4.3Å; C206-F296 VanDerWaalsContact SG-CZ 3.59Å; L208-F296 HydrophobicContact CD1-CB 4.3Å; L208-F296 HydrophobicContact CD1-CD1 4.4Å; L208-F296 HydrophobicContact CD1-CD2 4.21Å; L208-F296 HydrophobicContact CD1-CG 4.03Å; L208-F296 HydrophobicContact CD2-CD2 3.39Å; L208-F296 HydrophobicContact CD2-CE2 3.75Å; L208-F296 HydrophobicContact CD2-CG 4.03Å; L208-F296 HydrophobicContact CG-CD2 4.46Å; Q239-F296 HydrophobicContact CG-CE2 4.44Å; V292-F296 WeakPolarHBondContact O-CA 3.21Å; V292-F296 VanDerWaalsContact O-CB 3.31Å; V292-F296 WeakPolarHBondContact O-CB 3.46Å; V292-F296 PolarHBondContact O-N 2.92Å; F296-P298 HydrophobicContact CE1-CB 4.37Å; F296-P298 HydrophobicContact CE1-CG 4.23Å; F296-P298 HydrophobicContact CZ-CB 3.9Å; F296-P298 HydrophobicContact CZ-CG 4.25Å | ||
| 297 | R | 91 | Very high | 75.1 | Confident | 106 Ų | 106 | 44.6 Ų | 44.6 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | trans | -124.5 | 113.4 | 173.4 | -62.4 | -58.8 | 173.3 | -91.9 | -2.5 | 108.6 | Q239 E294 Q295 F299 | Q239-R297 PolarHBondContact NE2-O 2.98Å; Q239-R297 PolarHBondContact OE1-O 3.16Å; E294-R297 PolarHBondContact O-NH1 3.02Å; E294-R297 PolarHBondContact O-NH2 3.37Å; E294-R297 VanDerWaalsContact O-NH2 3.17Å; Q295-R297 PolarHBondContact O-N 3.19Å; Q295-R297 VanDerWaalsContact O-N 3.15Å; R297-F299 PolarHBondContact O-N 3.38Å | ||
| 298 | P | 90 | Very high | 72 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | trans | -65.5 | 114.9 | 178.1 | 20 | -27.2 | 0 | 0 | 0 | 110.8 | Q103 F104 F296 W300 L301 S302 | Q103-P298 HydrophobicContact CB-CG 4.23Å; F104-P298 HydrophobicContact CE1-CB 4.29Å; F104-P298 HydrophobicContact CE1-CG 3.96Å; F104-P298 HydrophobicContact CE2-CG 4.28Å; F104-P298 HydrophobicContact CZ-CB 4.07Å; F104-P298 HydrophobicContact CZ-CG 3.71Å; F296-P298 HydrophobicContact CE1-CB 4.37Å; F296-P298 HydrophobicContact CE1-CG 4.23Å; F296-P298 HydrophobicContact CZ-CB 3.9Å; F296-P298 HydrophobicContact CZ-CG 4.25Å; P298-W300 HydrophobicContact CB-CD2 4.21Å; P298-W300 HydrophobicContact CB-CE3 4.27Å; P298-W300 HydrophobicContact CB-CH2 3.61Å; P298-W300 HydrophobicContact CB-CZ2 3.54Å; P298-W300 HydrophobicContact CB-CZ3 3.99Å; P298-W300 PolarHBondContact O-N 2.83Å; P298-L301 HydrophobicContact CB-CB 4.45Å; P298-L301 HydrophobicContact CB-CD1 4.03Å; P298-L301 HydrophobicContact CG-CB 4.06Å; P298-L301 HydrophobicContact CG-CD1 3.62Å; P298-L301 HydrophobicContact CG-CG 4.44Å; P298-L301 PolarHBondContact O-N 2.96Å; P298-S302 PolarHBondContact O-N 3.1Å | ||
| 299 | F | 87.3 | Confident | 68.8 | Low | 25 Ų | 25 | 46.4 Ų | 46.4 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.8 | -164.1 | 80.2 | -95.9 | 0 | 0 | 0 | 115 | K237 F238 Q239 D272 R274 F276 R297 S302 | K237-F299 HydrophobicContact CB-CE1 4.03Å; K237-F299 HydrophobicContact CB-CZ 3.87Å; K237-F299 HydrophobicContact CD-CE2 4.24Å; K237-F299 HydrophobicContact CD-CZ 4Å; K237-F299 HydrophobicContact CG-CZ 4.24Å; F238-F299 WeakPolarHBondContact O-CE1 2.96Å; Q239-F299 HydrophobicContact CB-CD1 4.21Å; Q239-F299 HydrophobicContact CB-CE1 4.46Å; D272-F299 WeakPolarHBondContact OD1-CZ 3.3Å; R274-F299 HydrophobicContact CB-CB 4.37Å; R274-F299 HydrophobicContact CB-CD1 3.72Å; R274-F299 HydrophobicContact CB-CE1 4.07Å; R274-F299 HydrophobicContact CB-CG 3.99Å; R274-F299 HydrophobicContact CG-CB 4.13Å; R274-F299 HydrophobicContact CG-CD1 3.72Å; R274-F299 HydrophobicContact CG-CD2 3.66Å; R274-F299 HydrophobicContact CG-CE1 3.94Å; R274-F299 HydrophobicContact CG-CE2 3.87Å; R274-F299 HydrophobicContact CG-CG 3.58Å; R274-F299 HydrophobicContact CG-CZ 4Å; F276-F299 HydrophobicContact CE2-CB 4.35Å; F276-F299 HydrophobicContact CZ-CB 4.19Å; R297-F299 PolarHBondContact O-N 3.38Å; F299-S302 WeakPolarHBondContact O-CB 3.14Å; F299-S302 PolarHBondContact O-OG 3.39Å |
| 300 | W | 86.2 | Confident | 65.8 | Low | 46 Ų | 46 | 48.4 Ų | 48.4 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -24.6 | 177.5 | 61.4 | 91.1 | 0 | 0 | 0 | 113.1 | F104 T170 A204 C206 K237 Q239 P298 S302 | F104-W300 HydrophobicContact CE1-CZ2 4.36Å; T170-W300 HydrophobicContact CG2-CH2 4.23Å; T170-W300 HydrophobicContact CG2-CZ2 3.89Å; A204-W300 HydrophobicContact CB-CD2 4.4Å; A204-W300 HydrophobicContact CB-CE3 4.35Å; A204-W300 HydrophobicContact CB-CH2 3.35Å; A204-W300 HydrophobicContact CB-CZ2 3.38Å; A204-W300 HydrophobicContact CB-CZ3 3.87Å; C206-W300 VanDerWaalsContact SG-CH2 3.6Å; K237-W300 HydrophobicContact CB-CE3 4.05Å; K237-W300 HydrophobicContact CD-CB 3.48Å; K237-W300 VanDerWaalsContact CD-CB 3.48Å; K237-W300 HydrophobicContact CD-CD2 4.33Å; K237-W300 HydrophobicContact CD-CE3 4.4Å; K237-W300 HydrophobicContact CD-CG 3.97Å; Q239-W300 HydrophobicContact CB-CZ3 4.29Å; P298-W300 HydrophobicContact CB-CD2 4.21Å; P298-W300 HydrophobicContact CB-CE3 4.27Å; P298-W300 HydrophobicContact CB-CH2 3.61Å; P298-W300 HydrophobicContact CB-CZ2 3.54Å; P298-W300 HydrophobicContact CB-CZ3 3.99Å; P298-W300 PolarHBondContact O-N 2.83Å; W300-S302 VanDerWaalsContact C-N 3.32Å |
| 301 | L | 73.6 | Confident | 62.7 | Low | 37 Ų | 37 | 55.4 Ų | 55.4 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14 | 172.9 | -78.8 | 154 | 0 | 0 | 0 | 111.9 | F104 P298 Y303 L304 V305 | F104-L301 HydrophobicContact CD1-CD1 3.37Å; F104-L301 HydrophobicContact CE1-CD1 3.34Å; F104-L301 HydrophobicContact CG-CD1 4.41Å; F104-L301 HydrophobicContact CZ-CD1 4.35Å; P298-L301 HydrophobicContact CB-CB 4.45Å; P298-L301 HydrophobicContact CB-CD1 4.03Å; P298-L301 HydrophobicContact CG-CB 4.06Å; P298-L301 HydrophobicContact CG-CD1 3.62Å; P298-L301 HydrophobicContact CG-CG 4.44Å; P298-L301 PolarHBondContact O-N 2.96Å; L301-Y303 PolarHBondContact O-N 2.83Å; L301-L304 HydrophobicContact CD2-CB 4.09Å; L301-L304 HydrophobicContact CD2-CD1 3.7Å; L301-L304 PolarHBondContact O-N 2.67Å; L301-V305 PolarHBondContact O-N 3.2Å |
| 302 | S | 51.1 | Low | 59.5 | Low | 68 Ų | 68 | 57.2 Ų | 57.2 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.6 | -29.3 | 167.5 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | P298 F299 W300 A306 | P298-S302 PolarHBondContact O-N 3.1Å; F299-S302 WeakPolarHBondContact O-CB 3.14Å; F299-S302 PolarHBondContact O-OG 3.39Å; W300-S302 VanDerWaalsContact C-N 3.32Å; S302-A306 PolarHBondContact O-N 2.86Å |
| 303 | Y | 34.5 | Very low | 56.6 | Low | 104 Ų | 104 | 60.5 Ų | 60.5 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78.8 | -32.3 | 171.9 | -82.7 | -83 | 0 | 0 | 0 | 113.4 | L301 A306 E307 | L301-Y303 PolarHBondContact O-N 2.83Å; Y303-A306 CarbonylContact O-C 3.46Å; Y303-A306 WeakPolarHBondContact O-CA 3.34Å; Y303-A306 VanDerWaalsContact O-CB 3.26Å; Y303-A306 WeakPolarHBondContact O-CB 3.43Å; Y303-A306 PolarHBondContact O-N 3.22Å; Y303-E307 PolarHBondContact O-N 2.88Å |
| 304 | L | 31.3 | Very low | 53.6 | Low | 90 Ų | 90 | 67.8 Ų | 67.8 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.8 | -31.9 | 177.8 | -95.9 | 154.5 | 0 | 0 | 0 | 112.7 | L301 A306 E307 T308 | L301-L304 HydrophobicContact CD2-CB 4.09Å; L301-L304 HydrophobicContact CD2-CD1 3.7Å; L301-L304 PolarHBondContact O-N 2.67Å; L304-A306 PolarHBondContact O-N 3.35Å; L304-E307 WeakPolarHBondContact CD2-OE2 3.49Å; L304-E307 PolarHBondContact O-N 2.62Å; L304-T308 PolarHBondContact O-N 2.73Å; L304-T308 VanDerWaalsContact O-N 3.08Å; L304-T308 PolarHBondContact O-OG1 3.17Å |
| 305 | V | 31.6 | Very low | 50.7 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -29.8 | 166.5 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | L301 T308 M309 | L301-V305 PolarHBondContact O-N 3.2Å; V305-T308 PolarHBondContact O-OG1 2.84Å; V305-T308 VanDerWaalsContact O-OG1 3.12Å; V305-M309 HydrophobicContact CG1-CE 4.27Å; V305-M309 WeakPolarHBondContact O-CB 3.38Å; V305-M309 VanDerWaalsContact O-CG 3.32Å; V305-M309 WeakPolarHBondContact O-CG 3.46Å; V305-M309 PolarHBondContact O-N 2.71Å |
| 306 | A | 29.5 | Very low | 48 | Very low | 23 Ų | 23 | 66.7 Ų | 66.7 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S302 Y303 L304 M309 I310 | S302-A306 PolarHBondContact O-N 2.86Å; Y303-A306 CarbonylContact O-C 3.46Å; Y303-A306 WeakPolarHBondContact O-CA 3.34Å; Y303-A306 VanDerWaalsContact O-CB 3.26Å; Y303-A306 WeakPolarHBondContact O-CB 3.43Å; Y303-A306 PolarHBondContact O-N 3.22Å; L304-A306 PolarHBondContact O-N 3.35Å; A306-M309 CarbonylContact O-C 3.51Å; A306-M309 WeakPolarHBondContact O-CA 3.39Å; A306-M309 WeakPolarHBondContact O-CB 3.3Å; A306-M309 PolarHBondContact O-N 2.78Å; A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.76Å |
| 307 | E | 28.3 | Very low | 45.5 | Very low | 56 Ų | 56 | 67.4 Ų | 67.4 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.6 | -73.1 | 174.4 | 166.6 | 0 | 0 | 111.6 | Y303 L304 M309 I310 S592 | Y303-E307 PolarHBondContact O-N 2.88Å; L304-E307 WeakPolarHBondContact CD2-OE2 3.49Å; L304-E307 PolarHBondContact O-N 2.62Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-I310 PolarHBondContact O-N 3.43Å; E307-S592 PolarHBondContact OE1-N 3.13Å |
| 308 | T | 29.2 | Very low | 43.1 | Very low | 93 Ų | 93 | 66.7 Ų | 66.7 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.5 | -34.8 | 168.1 | 41.8 | 0 | 0 | 0 | 0 | 112.7 | L304 V305 I310 N311 | L304-T308 PolarHBondContact O-N 2.73Å; L304-T308 VanDerWaalsContact O-N 3.08Å; L304-T308 PolarHBondContact O-OG1 3.17Å; V305-T308 PolarHBondContact O-OG1 2.84Å; V305-T308 VanDerWaalsContact O-OG1 3.12Å; T308-I310 VanDerWaalsContact C-N 3.26Å; T308-I310 PolarHBondContact O-N 2.96Å; T308-N311 PolarHBondContact O-N 2.96Å |
| 309 | M | 26.3 | Very low | 41.2 | Very low | 28 Ų | 28 | 67.2 Ų | 67.2 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.1 | -11.5 | 173.9 | -79.5 | -169.8 | -60.9 | 0 | 0 | 114.1 | V305 A306 E307 N311 E312 Y313 | V305-M309 HydrophobicContact CG1-CE 4.27Å; V305-M309 WeakPolarHBondContact O-CB 3.38Å; V305-M309 VanDerWaalsContact O-CG 3.32Å; V305-M309 WeakPolarHBondContact O-CG 3.46Å; V305-M309 PolarHBondContact O-N 2.71Å; A306-M309 CarbonylContact O-C 3.51Å; A306-M309 WeakPolarHBondContact O-CA 3.39Å; A306-M309 WeakPolarHBondContact O-CB 3.3Å; A306-M309 PolarHBondContact O-N 2.78Å; E307-M309 VanDerWaalsContact C-N 3.34Å; M309-N311 VanDerWaalsContact C-N 3.26Å; M309-N311 PolarHBondContact O-N 2.78Å; M309-E312 CarbonylContact O-C 3.35Å; M309-E312 VanDerWaalsContact O-C 3.24Å; M309-E312 WeakPolarHBondContact O-CA 3.44Å; M309-E312 PolarHBondContact O-N 2.78Å; M309-Y313 HydrophobicContact CB-CD2 4.39Å; M309-Y313 HydrophobicContact CB-CE2 4.05Å; M309-Y313 WeakPolarHBondContact O-CB 3.38Å; M309-Y313 WeakPolarHBondContact O-CD2 3.39Å; M309-Y313 PolarHBondContact O-N 3.3Å |
| 310 | I | 31.5 | Very low | 40.1 | Very low | 50 Ų | 50 | 67.7 Ų | 67.7 | 26% | 0.256 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.5 | -26.9 | 173.7 | -73.8 | 168.5 | 0 | 0 | 0 | 112.1 | A306 E307 T308 Y313 E634 | A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.76Å; E307-I310 PolarHBondContact O-N 3.43Å; T308-I310 VanDerWaalsContact C-N 3.26Å; T308-I310 PolarHBondContact O-N 2.96Å; I310-Y313 HydrophobicContact CG1-CD2 3.89Å; I310-Y313 HydrophobicContact CG1-CE2 4.15Å; I310-E634 HydrophobicContact CD1-CB 4.21Å; I310-E634 VanDerWaalsContact CD1-CD 3.42Å; I310-E634 HydrophobicContact CD1-CG 3.71Å; I310-E634 VanDerWaalsContact CD1-OE2 3.27Å; I310-E634 WeakPolarHBondContact CD1-OE2 3.45Å; I310-E634 HydrophobicContact CG2-CB 4.23Å |
| 311 | N | 31.9 | Very low | 39.6 | Very low | 150 Ų | 150 | 65.7 Ų | 65.7 | 80% | 0.802 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.2 | 164.6 | -78.9 | -85.4 | 0 | 0 | 0 | 114.1 | T308 M309 | T308-N311 PolarHBondContact O-N 2.96Å; M309-N311 VanDerWaalsContact C-N 3.26Å; M309-N311 PolarHBondContact O-N 2.78Å |
| 312 | E | 28.7 | Very low | 39.8 | Very low | 95 Ų | 95 | 70 Ų | 70 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 0.1 | 171 | -57.7 | -163.3 | 133.3 | 0 | 0 | 113.9 | M309 E314 L315 A316 | M309-E312 CarbonylContact O-C 3.35Å; M309-E312 VanDerWaalsContact O-C 3.24Å; M309-E312 WeakPolarHBondContact O-CA 3.44Å; M309-E312 PolarHBondContact O-N 2.78Å; E312-E314 PolarHBondContact O-N 2.87Å; E312-L315 WeakPolarHBondContact O-CA 3.31Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 2.89Å; E312-A316 PolarHBondContact O-N 3.01Å; E312-A316 VanDerWaalsContact O-N 3.17Å |
| 313 | Y | 33.5 | Very low | 41.4 | Very low | 69 Ų | 69 | 67.3 Ų | 67.3 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.3 | -17.6 | 179.3 | -89.4 | -54.1 | 0 | 0 | 0 | 112.3 | M309 I310 L315 A316 | M309-Y313 HydrophobicContact CB-CD2 4.39Å; M309-Y313 HydrophobicContact CB-CE2 4.05Å; M309-Y313 WeakPolarHBondContact O-CB 3.38Å; M309-Y313 WeakPolarHBondContact O-CD2 3.39Å; M309-Y313 PolarHBondContact O-N 3.3Å; I310-Y313 HydrophobicContact CG1-CD2 3.89Å; I310-Y313 HydrophobicContact CG1-CE2 4.15Å; Y313-L315 PolarHBondContact O-N 2.89Å; Y313-A316 HydrophobicContact CD1-CB 3.79Å; Y313-A316 HydrophobicContact CE1-CB 4.21Å |
| 314 | E | 32.7 | Very low | 43.8 | Very low | 156 Ų | 156 | 66 Ų | 66 | 73% | 0.729 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.2 | -18.2 | 162.1 | -74.2 | -139.9 | 123.2 | 0 | 0 | 113.2 | E312 R707 | E312-E314 PolarHBondContact O-N 2.87Å; E314-R707 IonicContact OE1-NH1 3.27Å; E314-R707 PolarHBondContact OE1-NH1 2.91Å |
| 315 | L | 31 | Very low | 46.3 | Very low | 83 Ų | 83 | 64.3 Ų | 64.3 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -107.2 | -22.7 | -179.5 | -73.9 | 163.7 | 0 | 0 | 0 | 114.1 | L15 E312 Y313 | L15-L315 HydrophobicContact CD1-CD2 3.65Å; L15-L315 HydrophobicContact CD2-CD1 3.94Å; L15-L315 HydrophobicContact CD2-CD2 4.06Å; L15-L315 HydrophobicContact CG-CD2 4.47Å; E312-L315 WeakPolarHBondContact O-CA 3.31Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 2.89Å; Y313-L315 PolarHBondContact O-N 2.89Å |
| 316 | A | 34.7 | Very low | 48.9 | Very low | 37 Ų | 37 | 65.8 Ų | 65.8 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.3 | -37.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E312 Y313 T318 G698 | E312-A316 PolarHBondContact O-N 3.01Å; E312-A316 VanDerWaalsContact O-N 3.17Å; Y313-A316 HydrophobicContact CD1-CB 3.79Å; Y313-A316 HydrophobicContact CE1-CB 4.21Å; A316-T318 PolarHBondContact O-N 2.88Å; A316-G698 WeakPolarHBondContact O-CA 3.28Å; A316-G698 PolarHBondContact O-N 3.22Å |
| 317 | F | 42.3 | Very low | 51.6 | Low | 16 Ų | 16 | 68.5 Ų | 68.5 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | trans | -98.9 | 62.5 | 179.5 | -82.8 | -76.5 | 0 | 0 | 0 | 112.9 | A319 T320 C700 M703 M705 | F317-A319 PolarHBondContact O-N 2.8Å; F317-T320 WeakPolarHBondContact O-CB 3.43Å; F317-T320 PolarHBondContact O-N 3.12Å; F317-T320 PolarHBondContact O-OG1 2.85Å; F317-C700 HydrophobicContact CE1-CB 4.18Å; F317-C700 HydrophobicContact CZ-CB 4.38Å; F317-M703 HydrophobicContact CE2-CE 4.38Å; F317-M703 HydrophobicContact CZ-CE 3.8Å; F317-M705 HydrophobicContact CB-CB 4.41Å; F317-M705 HydrophobicContact CB-CE 3.74Å; F317-M705 HydrophobicContact CD1-CB 3.95Å; F317-M705 HydrophobicContact CD2-CB 4.36Å; F317-M705 HydrophobicContact CD2-CE 4.38Å; F317-M705 HydrophobicContact CD2-SD 4.19Å; F317-M705 HydrophobicContact CE1-CB 4.27Å; F317-M705 HydrophobicContact CG-CB 3.99Å; F317-M705 HydrophobicContact CG-CE 4.25Å; F317-M705 HydrophobicContact CG-SD 4.45Å | ||
| 318 | T | 40.7 | Very low | 54.4 | Low | 90 Ų | 90 | 72.3 Ų | 72.3 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.3 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | A316 L697 G698 | A316-T318 PolarHBondContact O-N 2.88Å; T318-L697 HydrophobicContact CG2-CD2 4.34Å; T318-G698 WeakPolarHBondContact OG1-CA 3.49Å |
| 319 | A | 50.5 | Low | 57.3 | Low | 15 Ų | 15 | 70.4 Ų | 70.4 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F317 Q321 G698 L699 | F317-A319 PolarHBondContact O-N 2.8Å; A319-Q321 WeakPolarHBondContact O-CG 3.44Å; A319-Q321 PolarHBondContact O-N 2.87Å; A319-G698 VanDerWaalsContact CB-O 3.27Å; A319-G698 WeakPolarHBondContact CB-O 3.5Å; A319-L699 HydrophobicContact CB-CD2 3.61Å |
| 320 | T | 63 | Low | 60.3 | Low | 34 Ų | 34 | 73.3 Ų | 73.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -46.4 | 115.5 | -178.5 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | F317 W322 M705 R707 | F317-T320 WeakPolarHBondContact O-CB 3.43Å; F317-T320 PolarHBondContact O-N 3.12Å; F317-T320 PolarHBondContact O-OG1 2.85Å; T320-W322 PolarHBondContact O-N 2.83Å; T320-M705 WeakPolarHBondContact CA-O 3.33Å; T320-M705 HydrophobicContact CG2-CE 4.09Å; T320-M705 WeakPolarHBondContact OG1-CE 3.44Å; T320-R707 HydrophobicContact CG2-CB 3.83Å | ||
| 321 | Q | 75.3 | Confident | 62.9 | Low | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.019 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 109.7 | -176.8 | -63.8 | -158.3 | 19 | 0 | 0 | 110.4 | A319 N704 M705 H706 R707 C740 F759 Q760 | A319-Q321 WeakPolarHBondContact O-CG 3.44Å; A319-Q321 PolarHBondContact O-N 2.87Å; Q321-N704 VanDerWaalsContact CD-ND2 3.35Å; Q321-N704 PolarHBondContact NE2-ND2 3.34Å; Q321-N704 VanDerWaalsContact NE2-ND2 3.15Å; Q321-M705 PolarHBondContact N-O 2.94Å; Q321-H706 WeakPolarHBondContact O-CA 3.29Å; Q321-R707 PolarHBondContact O-N 3.45Å; Q321-C740 PolarHBondContact NE2-O 3.2Å; Q321-F759 HydrophobicContact CB-CD1 4.01Å; Q321-F759 WeakPolarHBondContact O-CD1 3.36Å; Q321-F759 VanDerWaalsContact O-CE1 3.29Å; Q321-F759 WeakPolarHBondContact O-CE1 3.32Å; Q321-Q760 PolarHBondContact OE1-O 3.32Å |
| 322 | W | 79.3 | Confident | 65 | Low | 129 Ų | 129 | 68 Ų | 68 | 49% | 0.489 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.8 | 169.6 | -68.7 | 82.8 | 0 | 0 | 0 | 110.9 | T320 R707 | T320-W322 PolarHBondContact O-N 2.83Å; W322-R707 CarbonylContact C-O 3.59Å; W322-R707 WeakPolarHBondContact CA-O 3.06Å; W322-R707 HydrophobicContact CE3-CG 4.43Å; W322-R707 HydrophobicContact CH2-CG 4.24Å; W322-R707 HydrophobicContact CZ3-CG 4.13Å |
| 323 | A | 83.9 | Confident | 66.5 | Low | 10 Ų | 10 | 65.6 Ų | 65.6 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | trans | -70.7 | 133.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R707 Y708 C757 F759 | A323-R707 PolarHBondContact N-O 3.42Å; A323-Y708 HydrophobicContact CB-CD1 3.64Å; A323-Y708 HydrophobicContact CB-CE1 4.17Å; A323-Y708 HydrophobicContact CB-CG 4.13Å; A323-C757 HydrophobicContact CB-CB 4.32Å; A323-F759 VanDerWaalsContact CA-CE1 3.46Å; A323-F759 HydrophobicContact CB-CD1 4.4Å; A323-F759 HydrophobicContact CB-CE1 3.57Å; A323-F759 HydrophobicContact CB-CE2 4.33Å; A323-F759 HydrophobicContact CB-CZ 3.53Å | ||
| 324 | V | 84.1 | Confident | 67.2 | Low | 76 Ų | 76 | 64.6 Ų | 64.6 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 104.7 | 163.2 | -178 | 0 | 0 | 0 | 0 | 107.4 | Q326 C757 T758 | V324-Q326 PolarHBondContact O-N 2.96Å; V324-C757 CarbonylContact O-C 3.58Å; V324-C757 WeakPolarHBondContact O-CA 3.48Å; V324-T758 PolarHBondContact N-O 2.78Å; V324-T758 PolarHBondContact O-N 2.88Å; V324-T758 PolarHBondContact O-OG1 2.76Å |
| 325 | V | 84.3 | Confident | 67.6 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 33% | 0.333 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.6 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 108 | E328 V755 | V325-E328 HydrophobicContact CG1-CG 4.2Å; V325-V755 HydrophobicContact CG1-CG1 3.99Å |
| 326 | Q | 85.5 | Confident | 68.1 | Low | 113 Ų | 113 | 64.4 Ų | 64.4 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -55.5 | 175.1 | -62.7 | -168.9 | -50.7 | 0 | 0 | 110.1 | V324 N756 T758 | V324-Q326 PolarHBondContact O-N 2.96Å; Q326-N756 HydrophobicContact CB-CB 4.23Å; Q326-N756 PolarHBondContact N-O 3.45Å; Q326-T758 VanDerWaalsContact CD-CG2 3.46Å; Q326-T758 HydrophobicContact CG-CG2 4.11Å |
| 327 | D | 86.8 | Confident | 68.4 | Low | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145 | -177.7 | -45.4 | -78.2 | 0 | 0 | 0 | 110.9 | L329 N756 | D327-L329 HydrophobicContact CB-CD1 4.48Å; D327-L329 HydrophobicContact CB-CD2 4.07Å; D327-L329 HydrophobicContact CB-CG 4Å; D327-N756 HydrophobicContact CB-CB 4.39Å; D327-N756 PolarHBondContact O-N 3.32Å; D327-N756 PolarHBondContact OD2-ND2 2.93Å; D327-N756 VanDerWaalsContact OD2-ND2 3.16Å |
| 328 | E | 87.5 | Confident | 68.3 | Low | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.7 | 160.9 | -68.7 | -176 | -166.6 | 0 | 0 | 108.6 | V325 P330 V755 | V325-E328 HydrophobicContact CG1-CG 4.2Å; E328-P330 WeakPolarHBondContact O-CD 3.29Å; E328-V755 HydrophobicContact CG-CG1 4.2Å; E328-V755 HydrophobicContact CG-CG2 4.31Å |
| 329 | L | 90.2 | Very high | 68.2 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 28% | 0.277 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 84.5 | -167.7 | -65.9 | -179.4 | 0 | 0 | 0 | 110 | D327 L373 G753 L754 | D327-L329 HydrophobicContact CB-CD1 4.48Å; D327-L329 HydrophobicContact CB-CD2 4.07Å; D327-L329 HydrophobicContact CB-CG 4Å; L329-L373 HydrophobicContact CB-CD1 3.78Å; L329-L373 HydrophobicContact CB-CD2 3.96Å; L329-L373 HydrophobicContact CD2-CD1 4.27Å; L329-L373 HydrophobicContact CG-CD1 4.46Å; L329-G753 CarbonylContact O-C 3.54Å; L329-G753 VanDerWaalsContact O-CA 3.24Å; L329-G753 WeakPolarHBondContact O-CA 3.28Å; L329-L754 HydrophobicContact CB-CB 4.25Å; L329-L754 PolarHBondContact N-O 2.85Å; L329-L754 PolarHBondContact O-N 2.9Å |
| 330 | P | 88.8 | Confident | 68.2 | Low | 89 Ų | 89 | 78.2 Ų | 78.2 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 144.5 | -179.3 | 27.7 | -35 | 0 | 0 | 0 | 111.5 | E328 C332 K752 | E328-P330 WeakPolarHBondContact O-CD 3.29Å; P330-C332 PolarHBondContact O-N 2.91Å; P330-K752 WeakPolarHBondContact CA-O 3.37Å |
| 331 | F | 87 | Confident | 67.3 | Low | 28 Ų | 28 | 85.8 Ų | 85.8 | 12% | 0.123 | 48% | 0.477 | C | S | . | . | trans | -66.8 | 133.1 | 176 | -69.2 | -57.9 | 0 | 0 | 0 | 111.3 | G333 I359 Y368 L373 L749 K752 G753 L754 | F331-G333 PolarHBondContact O-N 3.04Å; F331-I359 HydrophobicContact CD2-CD1 4.27Å; F331-I359 HydrophobicContact CE2-CD1 3.83Å; F331-Y368 HydrophobicContact CB-CD1 3.88Å; F331-Y368 HydrophobicContact CB-CE1 3.76Å; F331-Y368 HydrophobicContact CB-CG 4.49Å; F331-Y368 AromaticContact CD1-CD1 3.62Å; F331-Y368 HydrophobicContact CD1-CD1 3.62Å; F331-Y368 HydrophobicContact CD1-CD2 4.13Å; F331-Y368 HydrophobicContact CD1-CE1 4.32Å; F331-Y368 AromaticContact CD1-CG 3.53Å; F331-Y368 HydrophobicContact CD1-CG 3.53Å; F331-Y368 HydrophobicContact CD2-CD2 4.2Å; F331-Y368 HydrophobicContact CD2-CE2 4.23Å; F331-Y368 HydrophobicContact CD2-CG 4.38Å; F331-Y368 HydrophobicContact CE1-CD1 4.33Å; F331-Y368 HydrophobicContact CE1-CD2 4.17Å; F331-Y368 AromaticContact CE1-CG 3.77Å; F331-Y368 HydrophobicContact CE1-CG 3.77Å; F331-Y368 HydrophobicContact CE2-CD2 4.26Å; F331-Y368 AromaticContact CG-CD1 3.77Å; F331-Y368 HydrophobicContact CG-CD1 3.77Å; F331-Y368 HydrophobicContact CG-CD2 4.17Å; F331-Y368 HydrophobicContact CG-CE1 4Å; F331-Y368 HydrophobicContact CG-CE2 4.34Å; F331-Y368 AromaticContact CG-CG 3.89Å; F331-Y368 HydrophobicContact CG-CG 3.89Å; F331-Y368 HydrophobicContact CZ-CD2 4.24Å; F331-Y368 HydrophobicContact CZ-CG 4.3Å; F331-L373 HydrophobicContact CD1-CB 4.49Å; F331-L373 HydrophobicContact CD1-CD2 4.46Å; F331-L373 HydrophobicContact CE1-CD2 4.47Å; F331-L749 HydrophobicContact CE2-CD1 3.86Å; F331-L749 HydrophobicContact CZ-CD1 3.64Å; F331-K752 PolarHBondContact N-O 2.73Å; F331-G753 VanDerWaalsContact CD2-CA 3.44Å; F331-G753 VanDerWaalsContact CE2-CA 3.42Å; F331-L754 HydrophobicContact CE1-CD2 4.33Å; F331-L754 HydrophobicContact CE1-CG 4.08Å; F331-L754 HydrophobicContact CZ-CD2 3.82Å; F331-L754 HydrophobicContact CZ-CG 3.98Å | ||
| 332 | C | 76.2 | Confident | 66.2 | Low | 62 Ų | 62 | 86.4 Ų | 86.4 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 106.6 | 173.4 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | P330 L373 R374 | P330-C332 PolarHBondContact O-N 2.91Å; C332-L373 WeakPolarHBondContact CB-O 3.17Å; C332-L373 PolarHBondContact N-O 3.47Å; C332-R374 HydrophobicContact CB-CG 4.06Å |
| 333 | G | 60.1 | Low | 65 | Low | 44 Ų | 44 | 85.7 Ų | 85.7 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | trans | -63.7 | 134.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F331 | F331-G333 PolarHBondContact O-N 3.04Š| ||
| 334 | S | 47.2 | Very low | 63.7 | Low | 47 Ų | 47 | 89 Ų | 89 | 33% | 0.329 | 51% | 0.509 | S | S | . | . | trans | -59.9 | 148.4 | 144.6 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | S336 E375 | S334-S336 PolarHBondContact O-N 3.27Å; S334-S336 PolarHBondContact OG-OG 3.29Å; S334-E375 WeakPolarHBondContact CB-OE2 3.22Å; S334-E375 PolarHBondContact OG-OE2 3.31Å | ||
| 335 | D | 41.5 | Very low | 62.6 | Low | 175 Ų | 175 | 90.6 Ų | 90.6 | 94% | 0.936 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -71 | 26.3 | -173.4 | -59.7 | -70.5 | 0 | 0 | 0 | 114.6 | ||
| 336 | S | 41.6 | Very low | 62 | Low | 60 Ų | 60 | 93.5 Ų | 93.5 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | trans | -105.6 | 65.8 | -176.3 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | S334 G338 | S334-S336 PolarHBondContact O-N 3.27Å; S334-S336 PolarHBondContact OG-OG 3.29Å; S336-G338 PolarHBondContact O-N 2.94Å | ||
| 337 | E | 41.2 | Very low | 62 | Low | 174 Ų | 174 | 88.8 Ų | 88.8 | 81% | 0.813 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -56.9 | -31.7 | 172.7 | -67 | -165.9 | 128.5 | 0 | 0 | 112.5 | A339 R340 | E337-A339 PolarHBondContact O-N 3.22Å; E337-A339 VanDerWaalsContact O-N 3.12Å; E337-R340 PolarHBondContact O-N 3.19Å |
| 338 | G | 39.4 | Very low | 62.3 | Low | 80 Ų | 80 | 88.1 Ų | 88.1 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -67.5 | -8.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | S336 | S336-G338 PolarHBondContact O-N 2.94Š|
| 339 | A | 38.7 | Very low | 62.6 | Low | 53 Ų | 53 | 82.3 Ų | 82.3 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -106.2 | -2.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E337 Q341 F380 | E337-A339 PolarHBondContact O-N 3.22Å; E337-A339 VanDerWaalsContact O-N 3.12Å; A339-Q341 VanDerWaalsContact C-N 3.27Å; A339-Q341 PolarHBondContact O-N 3.44Å; A339-F380 HydrophobicContact CB-CE1 4.28Å |
| 340 | R | 51.3 | Low | 62.7 | Low | 142 Ų | 142 | 80 Ų | 80 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | trans | -84.7 | 19.1 | -168.4 | -60.2 | -172.9 | -178.7 | -165.8 | 1.2 | 115.3 | E337 G342 | E337-R340 PolarHBondContact O-N 3.19Å; R340-G342 PolarHBondContact O-N 3.36Å | ||
| 341 | Q | 43.5 | Very low | 62.9 | Low | 193 Ų | 193 | 76.2 Ų | 76.2 | 90% | 0.902 | 45% | 0.451 | S | S | * | . | trans | -81.3 | 50.1 | 178.7 | -68.6 | -171.6 | -21.7 | 0 | 0 | 112.8 | A339 | A339-Q341 VanDerWaalsContact C-N 3.27Å; A339-Q341 PolarHBondContact O-N 3.44Å | ||
| 342 | G | 51.2 | Low | 63.1 | Low | 17 Ų | 17 | 74.9 Ų | 74.9 | 18% | 0.175 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -86.8 | 149.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R340 V344 | R340-G342 PolarHBondContact O-N 3.36Å; G342-V344 PolarHBondContact O-N 2.69Å; G342-V344 VanDerWaalsContact O-N 3.07Å |
| 343 | N | 54.1 | Low | 63.4 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | trans | -79.1 | 96.4 | 179.2 | -161.4 | 24.6 | 0 | 0 | 0 | 109.8 | T345 N346 | N343-T345 PolarHBondContact ND2-OG1 2.85Å; N343-T345 PolarHBondContact O-N 2.79Å; N343-N346 PolarHBondContact O-N 3.39Å | ||
| 344 | V | 57.9 | Low | 64.5 | Low | 80 Ų | 80 | 75.1 Ų | 75.1 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -54.4 | -26.6 | -168.5 | -176.5 | 0 | 0 | 0 | 0 | 113.6 | G342 N346 A347 T751 | G342-V344 PolarHBondContact O-N 2.69Å; G342-V344 VanDerWaalsContact O-N 3.07Å; V344-N346 PolarHBondContact O-N 3.06Å; V344-A347 PolarHBondContact O-N 2.85Å; V344-T751 HydrophobicContact CG1-CG2 4.13Å |
| 345 | T | 60.1 | Low | 66.5 | Low | 109 Ų | 109 | 76.9 Ų | 76.9 | 67% | 0.669 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.1 | 175.9 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | N343 | N343-T345 PolarHBondContact ND2-OG1 2.85Å; N343-T345 PolarHBondContact O-N 2.79Å |
| 346 | N | 72.1 | Confident | 69 | Low | 117 Ų | 117 | 70.7 Ų | 70.7 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -118.6 | 14.5 | -174.1 | -64.3 | 45.9 | 0 | 0 | 0 | 112.1 | N343 V344 | N343-N346 PolarHBondContact O-N 3.39Å; V344-N346 PolarHBondContact O-N 3.06Å |
| 347 | A | 86.6 | Confident | 71.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | trans | -65.6 | 142 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V344 N360 L715 T751 | V344-A347 PolarHBondContact O-N 2.85Å; A347-N360 WeakPolarHBondContact CA-O 3.38Å; A347-L715 HydrophobicContact CB-CD2 4.26Å; A347-L715 WeakPolarHBondContact O-CD2 3.28Å; A347-T751 HydrophobicContact CB-CG2 3.93Å | ||
| 348 | T | 91.6 | Very high | 74 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 160.8 | 171.2 | 46.1 | 0 | 0 | 0 | 0 | 109.6 | I359 N360 | T348-I359 CarbonylContact O-C 3.44Å; T348-I359 WeakPolarHBondContact O-CA 3.45Å; T348-N360 PolarHBondContact N-O 3.48Å; T348-N360 PolarHBondContact O-N 2.78Å; T348-N360 WeakPolarHBondContact OG1-CB 3.38Å; T348-N360 PolarHBondContact OG1-ND2 3.02Å |
| 349 | G | 93.3 | Very high | 76.6 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W358 | G349-W358 CarbonylContact C-O 3.44Å; G349-W358 VanDerWaalsContact CA-CZ3 3.45Å; G349-W358 WeakPolarHBondContact CA-O 2.93Å |
| 350 | G | 93.9 | Very high | 79.2 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 164 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A357 W358 D716 | G350-A357 CarbonylContact O-C 3.56Å; G350-A357 VanDerWaalsContact O-CA 3.32Å; G350-A357 WeakPolarHBondContact O-CA 3.39Å; G350-W358 PolarHBondContact N-O 2.99Å; G350-W358 PolarHBondContact O-N 3.4Å; G350-W358 PolarHBondContact O-NE1 3.26Å; G350-D716 VanDerWaalsContact CA-OD2 3.27Å; G350-D716 WeakPolarHBondContact CA-OD2 3.38Å |
| 351 | Y | 93.2 | Very high | 81 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 140.1 | 175.9 | -71 | -82.3 | 0 | 0 | 0 | 113.3 | A357 I370 D716 M718 Q747 L749 L754 | Y351-A357 HydrophobicContact CD1-CB 4.09Å; Y351-A357 HydrophobicContact CE1-CB 4.2Å; Y351-I370 HydrophobicContact CD1-CD1 3.69Å; Y351-I370 HydrophobicContact CE1-CD1 3.88Å; Y351-I370 HydrophobicContact CE1-CG1 4.44Å; Y351-D716 HydrophobicContact CD2-CB 4.07Å; Y351-D716 VanDerWaalsContact CD2-OD2 3.28Å; Y351-D716 WeakPolarHBondContact CD2-OD2 3.29Å; Y351-D716 HydrophobicContact CE2-CB 4.23Å; Y351-D716 PolarHBondContact N-OD2 2.82Å; Y351-M718 HydrophobicContact CD1-CE 3.82Å; Y351-M718 HydrophobicContact CD1-CG 3.95Å; Y351-M718 HydrophobicContact CD1-SD 3.8Å; Y351-M718 HydrophobicContact CD2-CG 3.57Å; Y351-M718 HydrophobicContact CD2-SD 4.44Å; Y351-M718 HydrophobicContact CE1-CE 3.65Å; Y351-M718 HydrophobicContact CE1-CG 4.08Å; Y351-M718 HydrophobicContact CE1-SD 4.17Å; Y351-M718 HydrophobicContact CE2-CG 3.75Å; Y351-M718 HydrophobicContact CG-CE 4.49Å; Y351-M718 HydrophobicContact CG-CG 3.68Å; Y351-M718 HydrophobicContact CG-SD 3.93Å; Y351-Q747 WeakPolarHBondContact OH-CG 3.27Å; Y351-Q747 PolarHBondContact OH-O 2.89Å; Y351-Q747 PolarHBondContact OH-OE1 3.46Å; Y351-L749 HydrophobicContact CE2-CB 3.78Å; Y351-L749 PolarHBondContact OH-N 2.83Å; Y351-L754 HydrophobicContact CE1-CD2 4.29Å |
| 352 | V | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 101.7 | 174.9 | -164.7 | 0 | 0 | 0 | 0 | 109.3 | Y356 V392 Y400 L402 I419 | V352-Y356 PolarHBondContact N-O 3.33Å; V352-Y356 PolarHBondContact O-N 2.95Å; V352-V392 HydrophobicContact CG1-CG1 3.95Å; V352-V392 HydrophobicContact CG1-CG2 4.4Å; V352-V392 HydrophobicContact CG2-CG2 4.17Å; V352-Y400 HydrophobicContact CG1-CD1 3.86Å; V352-Y400 HydrophobicContact CG1-CD2 4.37Å; V352-Y400 HydrophobicContact CG1-CG 3.63Å; V352-L402 HydrophobicContact CG2-CD2 3.95Å; V352-I419 HydrophobicContact CB-CD1 4.5Å; V352-I419 HydrophobicContact CG1-CD1 3.95Å; V352-I419 HydrophobicContact CG2-CD1 4.23Å |
| 353 | G | 83.4 | Confident | 84.8 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -136.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 354 | D | 82.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 38.3 Ų | 38.3 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 9.5 | 175.5 | -57.6 | -68.7 | 0 | 0 | 0 | 112.5 | K645 | D354-K645 IonicContact OD1-NZ 2.76Å; D354-K645 PolarHBondContact OD1-NZ 2.61Å; D354-K645 IonicContact OD2-NZ 2.92Å; D354-K645 PolarHBondContact OD2-NZ 3.14Å |
| 355 | N | 89.1 | Confident | 88.2 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -28 | -168.3 | -69 | -30.6 | 0 | 0 | 0 | 114.7 | H369 I370 | N355-H369 PolarHBondContact O-CD2 3.47Å; N355-H369 VanDerWaalsContact O-CD2 3.26Å; N355-I370 PolarHBondContact O-N 3.04Å |
| 356 | Y | 92.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 30.6 Ų | 30.6 | 18% | 0.18 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.6 | -177.3 | -46.6 | -92.7 | 0 | 0 | 0 | 112.3 | V352 V367 Y368 H369 V376 | V352-Y356 PolarHBondContact N-O 3.33Å; V352-Y356 PolarHBondContact O-N 2.95Å; Y356-V367 HydrophobicContact CD1-CG1 4.48Å; Y356-V367 HydrophobicContact CG-CG1 4.5Å; Y356-Y368 CarbonylContact C-O 3.55Å; Y356-Y368 WeakPolarHBondContact CA-O 3.25Å; Y356-Y368 WeakPolarHBondContact CB-O 3.41Å; Y356-H369 HydrophobicContact CD1-CB 3.84Å; Y356-H369 AromaticContact CD1-CD2 3.97Å; Y356-H369 HydrophobicContact CE1-CB 3.99Å; Y356-H369 AromaticContact CE1-CD2 3.67Å; Y356-V376 HydrophobicContact CD1-CG2 3.82Å; Y356-V376 HydrophobicContact CE1-CG2 3.96Å |
| 357 | A | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G350 Y351 V367 Y368 I370 L749 | G350-A357 CarbonylContact O-C 3.56Å; G350-A357 VanDerWaalsContact O-CA 3.32Å; G350-A357 WeakPolarHBondContact O-CA 3.39Å; Y351-A357 HydrophobicContact CD1-CB 4.09Å; Y351-A357 HydrophobicContact CE1-CB 4.2Å; A357-V367 CarbonylContact O-C 3.58Å; A357-V367 WeakPolarHBondContact O-CA 3.46Å; A357-Y368 PolarHBondContact N-O 2.92Å; A357-Y368 PolarHBondContact O-N 2.84Å; A357-I370 HydrophobicContact CB-CG1 4.49Å; A357-L749 HydrophobicContact CB-CD1 3.93Å; A357-L749 HydrophobicContact CB-CD2 4.17Å |
| 358 | W | 94.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 25 Ų | 25 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 151.5 | 176.5 | 64.1 | -92.3 | 0 | 0 | 0 | 111.6 | G349 G350 N360 M366 V367 V390 L402 | G349-W358 CarbonylContact C-O 3.44Å; G349-W358 VanDerWaalsContact CA-CZ3 3.45Å; G349-W358 WeakPolarHBondContact CA-O 2.93Å; G350-W358 PolarHBondContact N-O 2.99Å; G350-W358 PolarHBondContact O-N 3.4Å; G350-W358 PolarHBondContact O-NE1 3.26Å; W358-N360 HydrophobicContact CE3-CB 4.18Å; W358-N360 HydrophobicContact CZ3-CB 3.77Å; W358-M366 CarbonylContact C-O 3.59Å; W358-M366 VanDerWaalsContact CA-O 3.25Å; W358-M366 WeakPolarHBondContact CA-O 3.34Å; W358-V367 HydrophobicContact CB-CG2 4.21Å; W358-V390 HydrophobicContact CD2-CG1 3.81Å; W358-V390 HydrophobicContact CE3-CB 4.13Å; W358-V390 HydrophobicContact CE3-CG1 3.82Å; W358-V390 HydrophobicContact CE3-CG2 4.5Å; W358-V390 HydrophobicContact CH2-CB 3.64Å; W358-V390 HydrophobicContact CH2-CG1 3.95Å; W358-V390 HydrophobicContact CH2-CG2 4.49Å; W358-V390 HydrophobicContact CZ2-CB 4.01Å; W358-V390 HydrophobicContact CZ2-CG1 3.89Å; W358-V390 HydrophobicContact CZ3-CB 3.69Å; W358-V390 HydrophobicContact CZ3-CG1 3.9Å; W358-V390 HydrophobicContact CZ3-CG2 4.11Å; W358-L402 HydrophobicContact CB-CD1 3.84Å; W358-L402 HydrophobicContact CG-CD1 3.96Å; W358-L402 HydrophobicContact CG-CD2 4.24Å |
| 359 | I | 94 | Very high | 91.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.8 | 172.9 | -60.2 | -179.4 | 0 | 0 | 0 | 108.6 | F331 T348 V365 M366 Y368 L715 L749 | F331-I359 HydrophobicContact CD2-CD1 4.27Å; F331-I359 HydrophobicContact CE2-CD1 3.83Å; T348-I359 CarbonylContact O-C 3.44Å; T348-I359 WeakPolarHBondContact O-CA 3.45Å; I359-V365 WeakPolarHBondContact O-CA 3.41Å; I359-M366 PolarHBondContact N-O 3.42Å; I359-M366 PolarHBondContact O-N 3.02Å; I359-Y368 HydrophobicContact CD1-CE2 4.26Å; I359-L715 HydrophobicContact CD1-CD1 4.11Å; I359-L715 HydrophobicContact CG1-CD1 3.96Å; I359-L715 HydrophobicContact CG2-CD1 4.11Å; I359-L749 HydrophobicContact CD1-CD1 4.41Å; I359-L749 HydrophobicContact CG1-CD1 4.49Å |
| 360 | N | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.5 | 172.4 | 176.3 | 18.9 | 0 | 0 | 0 | 109.6 | A347 T348 W358 G362 S364 V365 I387 V390 | A347-N360 WeakPolarHBondContact CA-O 3.38Å; T348-N360 PolarHBondContact N-O 3.48Å; T348-N360 PolarHBondContact O-N 2.78Å; T348-N360 WeakPolarHBondContact OG1-CB 3.38Å; T348-N360 PolarHBondContact OG1-ND2 3.02Å; W358-N360 HydrophobicContact CE3-CB 4.18Å; W358-N360 HydrophobicContact CZ3-CB 3.77Å; N360-G362 PolarHBondContact OD1-N 2.91Å; N360-S364 WeakPolarHBondContact CA-O 3.31Å; N360-S364 PolarHBondContact OD1-O 2.79Å; N360-V365 HydrophobicContact CB-CG2 3.83Å; N360-I387 PolarHBondContact ND2-O 3.15Å; N360-V390 HydrophobicContact CB-CG2 4.25Å |
| 361 | N | 88.3 | Confident | 90.9 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | trans | -105.3 | 15.9 | 177.3 | -61.8 | -64.1 | 0 | 0 | 0 | 113.2 | S363 S364 M366 | N361-S363 VanDerWaalsContact C-N 3.27Å; N361-S363 PolarHBondContact O-N 2.91Å; N361-S364 PolarHBondContact N-O 2.8Å; N361-M366 VanDerWaalsContact ND2-CE 3.31Å; N361-M366 WeakPolarHBondContact ND2-CE 3.19Å | ||
| 362 | G | 87.2 | Confident | 90.8 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 24% | 0.237 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 87.3 | -44 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N360 V386 I387 | N360-G362 PolarHBondContact OD1-N 2.91Å; G362-V386 CarbonylContact O-C 3.53Å; G362-V386 WeakPolarHBondContact O-CA 3.49Å; G362-I387 PolarHBondContact O-N 2.74Å |
| 363 | S | 87.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -104.8 | -10.4 | 177.3 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | N361 A381 | N361-S363 VanDerWaalsContact C-N 3.27Å; N361-S363 PolarHBondContact O-N 2.91Å; S363-A381 PolarHBondContact O-N 2.85Å |
| 364 | S | 90.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.1 | -178.3 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | N360 N361 W379 F380 | N360-S364 WeakPolarHBondContact CA-O 3.31Å; N360-S364 PolarHBondContact OD1-O 2.79Å; N361-S364 PolarHBondContact N-O 2.8Å; S364-W379 CarbonylContact C-O 3.54Å; S364-W379 VanDerWaalsContact CA-O 3.28Å; S364-W379 WeakPolarHBondContact CA-O 3.3Å; S364-W379 WeakPolarHBondContact CB-O 3.48Å; S364-F380 VanDerWaalsContact CB-CD1 3.48Å |
| 365 | V | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.8 | 170.9 | 167.1 | 0 | 0 | 0 | 0 | 108.9 | I359 N360 S378 W379 I387 V390 L402 L404 F417 | I359-V365 WeakPolarHBondContact O-CA 3.41Å; N360-V365 HydrophobicContact CB-CG2 3.83Å; V365-S378 WeakPolarHBondContact O-CA 3.47Å; V365-W379 PolarHBondContact N-O 2.82Å; V365-W379 PolarHBondContact O-N 3.46Å; V365-I387 HydrophobicContact CB-CD1 4.49Å; V365-I387 HydrophobicContact CG2-CD1 3.81Å; V365-I387 HydrophobicContact CG2-CG2 4.1Å; V365-V390 HydrophobicContact CG2-CG2 3.94Å; V365-L402 HydrophobicContact CG1-CD1 3.89Å; V365-L404 HydrophobicContact CG2-CD2 4.15Å; V365-F417 HydrophobicContact CG1-CD1 4.43Å; V365-F417 HydrophobicContact CG1-CE1 4.26Å |
| 366 | M | 92.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 14% | 0.138 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.5 | 174.9 | -62.3 | 173.7 | -58.9 | 0 | 0 | 109.5 | W358 I359 N361 Y368 | W358-M366 CarbonylContact C-O 3.59Å; W358-M366 VanDerWaalsContact CA-O 3.25Å; W358-M366 WeakPolarHBondContact CA-O 3.34Å; I359-M366 PolarHBondContact N-O 3.42Å; I359-M366 PolarHBondContact O-N 3.02Å; N361-M366 VanDerWaalsContact ND2-CE 3.31Å; N361-M366 WeakPolarHBondContact ND2-CE 3.19Å; M366-Y368 HydrophobicContact CB-CE2 3.86Å; M366-Y368 HydrophobicContact CE-CE2 4.46Å; M366-Y368 WeakPolarHBondContact CE-OH 3.36Å; M366-Y368 PolarHBondContact SD-OH 2.8Å |
| 367 | V | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.6 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | Y356 A357 W358 E375 V376 A377 L402 F417 I419 | Y356-V367 HydrophobicContact CD1-CG1 4.48Å; Y356-V367 HydrophobicContact CG-CG1 4.5Å; A357-V367 CarbonylContact O-C 3.58Å; A357-V367 WeakPolarHBondContact O-CA 3.46Å; W358-V367 HydrophobicContact CB-CG2 4.21Å; V367-E375 WeakPolarHBondContact O-CA 3.42Å; V367-V376 HydrophobicContact CB-CG2 4.27Å; V367-V376 HydrophobicContact CG1-CG2 4.08Å; V367-V376 WeakPolarHBondContact O-CG2 3.5Å; V367-V376 PolarHBondContact O-N 2.87Å; V367-A377 HydrophobicContact CB-CB 4.2Å; V367-A377 HydrophobicContact CG2-CB 4.38Å; V367-A377 PolarHBondContact N-O 3.31Å; V367-A377 PolarHBondContact O-N 3.27Å; V367-L402 HydrophobicContact CG2-CD1 3.97Å; V367-F417 HydrophobicContact CG2-CE1 4.05Å; V367-I419 HydrophobicContact CB-CG2 4.48Å; V367-I419 HydrophobicContact CG1-CD1 4.33Å; V367-I419 HydrophobicContact CG1-CG2 3.9Å |
| 368 | Y | 93.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.1 | -179.5 | -60.2 | -85.2 | 0 | 0 | 0 | 110.5 | F331 Y356 A357 I359 M366 R374 E375 | F331-Y368 HydrophobicContact CB-CD1 3.88Å; F331-Y368 HydrophobicContact CB-CE1 3.76Å; F331-Y368 HydrophobicContact CB-CG 4.49Å; F331-Y368 AromaticContact CD1-CD1 3.62Å; F331-Y368 HydrophobicContact CD1-CD1 3.62Å; F331-Y368 HydrophobicContact CD1-CD2 4.13Å; F331-Y368 HydrophobicContact CD1-CE1 4.32Å; F331-Y368 AromaticContact CD1-CG 3.53Å; F331-Y368 HydrophobicContact CD1-CG 3.53Å; F331-Y368 HydrophobicContact CD2-CD2 4.2Å; F331-Y368 HydrophobicContact CD2-CE2 4.23Å; F331-Y368 HydrophobicContact CD2-CG 4.38Å; F331-Y368 HydrophobicContact CE1-CD1 4.33Å; F331-Y368 HydrophobicContact CE1-CD2 4.17Å; F331-Y368 AromaticContact CE1-CG 3.77Å; F331-Y368 HydrophobicContact CE1-CG 3.77Å; F331-Y368 HydrophobicContact CE2-CD2 4.26Å; F331-Y368 AromaticContact CG-CD1 3.77Å; F331-Y368 HydrophobicContact CG-CD1 3.77Å; F331-Y368 HydrophobicContact CG-CD2 4.17Å; F331-Y368 HydrophobicContact CG-CE1 4Å; F331-Y368 HydrophobicContact CG-CE2 4.34Å; F331-Y368 AromaticContact CG-CG 3.89Å; F331-Y368 HydrophobicContact CG-CG 3.89Å; F331-Y368 HydrophobicContact CZ-CD2 4.24Å; F331-Y368 HydrophobicContact CZ-CG 4.3Å; Y356-Y368 CarbonylContact C-O 3.55Å; Y356-Y368 WeakPolarHBondContact CA-O 3.25Å; Y356-Y368 WeakPolarHBondContact CB-O 3.41Å; A357-Y368 PolarHBondContact N-O 2.92Å; A357-Y368 PolarHBondContact O-N 2.84Å; I359-Y368 HydrophobicContact CD1-CE2 4.26Å; M366-Y368 HydrophobicContact CB-CE2 3.86Å; M366-Y368 HydrophobicContact CE-CE2 4.46Å; M366-Y368 WeakPolarHBondContact CE-OH 3.36Å; M366-Y368 PolarHBondContact SD-OH 2.8Å; Y368-R374 CarbonylContact C-O 3.47Å; Y368-R374 VanDerWaalsContact CA-O 3.29Å; Y368-R374 WeakPolarHBondContact CA-O 3.35Å; Y368-E375 HydrophobicContact CD1-CB 4.17Å; Y368-E375 HydrophobicContact CE1-CB 3.93Å |
| 369 | H | 92.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 22% | 0.218 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.5 | 171.2 | 174.4 | -96.3 | 0 | 0 | 0 | 110.6 | N355 Y356 S371 S372 L373 R374 V376 | N355-H369 PolarHBondContact O-CD2 3.47Å; N355-H369 VanDerWaalsContact O-CD2 3.26Å; Y356-H369 HydrophobicContact CD1-CB 3.84Å; Y356-H369 AromaticContact CD1-CD2 3.97Å; Y356-H369 HydrophobicContact CE1-CB 3.99Å; Y356-H369 AromaticContact CE1-CD2 3.67Å; H369-S371 PolarHBondContact O-N 3.33Å; H369-S372 PolarHBondContact ND1-N 3.49Å; H369-S372 PolarHBondContact ND1-OG 3.03Å; H369-S372 PolarHBondContact O-N 2.84Å; H369-S372 PolarHBondContact O-OG 3.24Å; H369-L373 WeakPolarHBondContact O-CA 3.3Å; H369-L373 PolarHBondContact O-N 3.3Å; H369-R374 PolarHBondContact N-O 3.13Å; H369-V376 HydrophobicContact CB-CG1 3.7Å |
| 370 | I | 91.5 | Very high | 91.2 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -51.2 | -167 | -67.6 | 168.5 | 0 | 0 | 0 | 111.6 | Y351 N355 A357 S372 L373 M718 L754 | Y351-I370 HydrophobicContact CD1-CD1 3.69Å; Y351-I370 HydrophobicContact CE1-CD1 3.88Å; Y351-I370 HydrophobicContact CE1-CG1 4.44Å; N355-I370 PolarHBondContact O-N 3.04Å; A357-I370 HydrophobicContact CB-CG1 4.49Å; I370-S372 PolarHBondContact O-N 3.4Å; I370-S372 VanDerWaalsContact O-N 3.15Å; I370-L373 WeakPolarHBondContact O-CD2 3.46Å; I370-L373 PolarHBondContact O-N 2.72Å; I370-M718 HydrophobicContact CD1-CE 4.14Å; I370-L754 HydrophobicContact CB-CD1 4.4Å; I370-L754 HydrophobicContact CG1-CD1 4.46Å; I370-L754 HydrophobicContact CG2-CD1 3.82Å |
| 371 | S | 90.9 | Very high | 90.9 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 69% | 0.685 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.3 | -173.6 | -29.1 | 0 | 0 | 0 | 0 | 114.5 | H369 | H369-S371 PolarHBondContact O-N 3.33Š|
| 372 | S | 90.4 | Very high | 90.8 | Very high | 49 Ų | 49 | 47 Ų | 47 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -8.1 | 177.7 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | H369 I370 R374 | H369-S372 PolarHBondContact ND1-N 3.49Å; H369-S372 PolarHBondContact ND1-OG 3.03Å; H369-S372 PolarHBondContact O-N 2.84Å; H369-S372 PolarHBondContact O-OG 3.24Å; I370-S372 PolarHBondContact O-N 3.4Å; I370-S372 VanDerWaalsContact O-N 3.15Å; S372-R374 PolarHBondContact O-N 2.87Å |
| 373 | L | 91.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 13.1 | -178.6 | -52.7 | 169.7 | 0 | 0 | 0 | 114.8 | L329 F331 C332 H369 I370 L754 | L329-L373 HydrophobicContact CB-CD1 3.78Å; L329-L373 HydrophobicContact CB-CD2 3.96Å; L329-L373 HydrophobicContact CD2-CD1 4.27Å; L329-L373 HydrophobicContact CG-CD1 4.46Å; F331-L373 HydrophobicContact CD1-CB 4.49Å; F331-L373 HydrophobicContact CD1-CD2 4.46Å; F331-L373 HydrophobicContact CE1-CD2 4.47Å; C332-L373 WeakPolarHBondContact CB-O 3.17Å; C332-L373 PolarHBondContact N-O 3.47Å; H369-L373 WeakPolarHBondContact O-CA 3.3Å; H369-L373 PolarHBondContact O-N 3.3Å; I370-L373 WeakPolarHBondContact O-CD2 3.46Å; I370-L373 PolarHBondContact O-N 2.72Å; L373-L754 HydrophobicContact CD2-CD1 3.87Å; L373-L754 HydrophobicContact CD2-CG 4.3Å |
| 374 | R | 91 | Very high | 90.3 | Very high | 166 Ų | 166 | 57 Ų | 57 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 143 | -178.4 | -68.9 | -179.3 | -173.3 | -163.5 | -1.4 | 111.7 | C332 Y368 H369 S372 V376 | C332-R374 HydrophobicContact CB-CG 4.06Å; Y368-R374 CarbonylContact C-O 3.47Å; Y368-R374 VanDerWaalsContact CA-O 3.29Å; Y368-R374 WeakPolarHBondContact CA-O 3.35Å; H369-R374 PolarHBondContact N-O 3.13Å; S372-R374 PolarHBondContact O-N 2.87Å; R374-V376 PolarHBondContact O-N 3.4Å |
| 375 | E | 91.9 | Very high | 90.2 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 131.4 | 161.3 | -168.7 | -174 | 157.1 | 0 | 0 | 109.2 | S334 V367 Y368 S378 | S334-E375 WeakPolarHBondContact CB-OE2 3.22Å; S334-E375 PolarHBondContact OG-OE2 3.31Å; V367-E375 WeakPolarHBondContact O-CA 3.42Å; Y368-E375 HydrophobicContact CD1-CB 4.17Å; Y368-E375 HydrophobicContact CE1-CB 3.93Å; E375-S378 WeakPolarHBondContact OE1-CB 3.42Å; E375-S378 PolarHBondContact OE1-OG 2.99Å |
| 376 | V | 91 | Very high | 90.1 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -27.1 | 177.7 | -68.7 | 0 | 0 | 0 | 0 | 113 | Y356 V367 H369 R374 I419 | Y356-V376 HydrophobicContact CD1-CG2 3.82Å; Y356-V376 HydrophobicContact CE1-CG2 3.96Å; V367-V376 HydrophobicContact CB-CG2 4.27Å; V367-V376 HydrophobicContact CG1-CG2 4.08Å; V367-V376 WeakPolarHBondContact O-CG2 3.5Å; V367-V376 PolarHBondContact O-N 2.87Å; H369-V376 HydrophobicContact CB-CG1 3.7Å; R374-V376 PolarHBondContact O-N 3.4Å; V376-I419 HydrophobicContact CG2-CG2 4.26Å |
| 377 | A | 90.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 145.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V367 F417 I419 N422 | V367-A377 HydrophobicContact CB-CB 4.2Å; V367-A377 HydrophobicContact CG2-CB 4.38Å; V367-A377 PolarHBondContact N-O 3.31Å; V367-A377 PolarHBondContact O-N 3.27Å; A377-F417 HydrophobicContact CB-CE2 4.38Å; A377-F417 HydrophobicContact CB-CZ 3.81Å; A377-I419 HydrophobicContact CB-CG2 4.25Å; A377-N422 VanDerWaalsContact CA-OD1 3.24Å; A377-N422 WeakPolarHBondContact CA-OD1 3.39Å; A377-N422 HydrophobicContact CB-CB 4.35Å; A377-N422 VanDerWaalsContact CB-OD1 3.23Å; A377-N422 WeakPolarHBondContact CB-OD1 3.36Å |
| 378 | S | 91.5 | Very high | 90 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 144.3 | 175.3 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | V365 E375 N422 | V365-S378 WeakPolarHBondContact O-CA 3.47Å; E375-S378 WeakPolarHBondContact OE1-CB 3.42Å; E375-S378 PolarHBondContact OE1-OG 2.99Å; S378-N422 PolarHBondContact N-OD1 2.9Å; S378-N422 PolarHBondContact O-OD1 3.11Å |
| 379 | W | 92.3 | Very high | 90 | Very high | 58 Ų | 58 | 62 Ų | 62 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.3 | 179.4 | -175.1 | 75.9 | 0 | 0 | 0 | 111.1 | S364 V365 A381 I387 L404 V406 L415 F417 V424 | S364-W379 CarbonylContact C-O 3.54Å; S364-W379 VanDerWaalsContact CA-O 3.28Å; S364-W379 WeakPolarHBondContact CA-O 3.3Å; S364-W379 WeakPolarHBondContact CB-O 3.48Å; V365-W379 PolarHBondContact N-O 2.82Å; V365-W379 PolarHBondContact O-N 3.46Å; W379-A381 HydrophobicContact CH2-CB 3.94Å; W379-A381 HydrophobicContact CZ3-CB 3.95Å; W379-I387 HydrophobicContact CE3-CD1 3.89Å; W379-I387 HydrophobicContact CZ3-CD1 3.71Å; W379-I387 HydrophobicContact CZ3-CG1 4.05Å; W379-L404 HydrophobicContact CD2-CD1 4.18Å; W379-L404 HydrophobicContact CE3-CD1 3.54Å; W379-L404 HydrophobicContact CZ3-CD1 3.88Å; W379-V406 HydrophobicContact CH2-CG1 4.49Å; W379-V406 HydrophobicContact CH2-CG2 3.92Å; W379-V406 HydrophobicContact CZ3-CG2 3.93Å; W379-L415 HydrophobicContact CH2-CD1 3.53Å; W379-L415 HydrophobicContact CZ2-CD1 3.72Å; W379-L415 HydrophobicContact CZ3-CD1 4.25Å; W379-F417 HydrophobicContact CB-CD1 4.47Å; W379-F417 HydrophobicContact CB-CE1 4.06Å; W379-F417 HydrophobicContact CB-CE2 4.25Å; W379-F417 HydrophobicContact CB-CZ 3.92Å; W379-V424 HydrophobicContact CB-CG2 4.23Å; W379-V424 VanDerWaalsContact CD1-CG2 3.41Å; W379-V424 HydrophobicContact CD2-CG2 4.12Å; W379-V424 HydrophobicContact CG-CG2 3.65Å |
| 380 | F | 90.7 | Very high | 90.1 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.6 | -177.4 | -64.1 | -99.3 | 0 | 0 | 0 | 108.3 | A339 S364 | A339-F380 HydrophobicContact CB-CE1 4.28Å; S364-F380 VanDerWaalsContact CB-CD1 3.48Å |
| 381 | A | 88.1 | Confident | 90.1 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 164.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S363 W379 I387 V406 | S363-A381 PolarHBondContact O-N 2.85Å; W379-A381 HydrophobicContact CH2-CB 3.94Å; W379-A381 HydrophobicContact CZ3-CB 3.95Å; A381-I387 HydrophobicContact CB-CD1 4.38Å; A381-I387 HydrophobicContact CB-CG1 4.08Å; A381-V406 HydrophobicContact CB-CG1 4.31Å |
| 382 | E | 85.3 | Confident | 90.1 | Very high | 126 Ų | 126 | 58 Ų | 58 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 155.8 | 170.1 | -60.1 | -166.7 | 146.9 | 0 | 0 | 110.7 | E384 S385 N410 | E382-E384 PolarHBondContact O-N 3.34Å; E382-S385 WeakPolarHBondContact O-CB 3.32Å; E382-S385 PolarHBondContact O-N 2.84Å; E382-S385 PolarHBondContact O-OG 2.85Å; E382-N410 PolarHBondContact OE2-ND2 3.28Å |
| 383 | S | 79.6 | Confident | 89.9 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 78% | 0.783 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 142.1 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S385 | S383-S385 PolarHBondContact O-N 2.78Š|
| 384 | E | 83.7 | Confident | 89.2 | Confident | 175 Ų | 175 | 55.9 Ų | 55.9 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -1.9 | -176.6 | -53.1 | -177.3 | 167.4 | 0 | 0 | 115.6 | E382 V409 | E382-E384 PolarHBondContact O-N 3.34Å; E384-V409 HydrophobicContact CB-CG2 3.82Å |
| 385 | S | 89.8 | Confident | 88.1 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | trans | -87.8 | 147.5 | 175.6 | -52 | 0 | 0 | 0 | 0 | 112.2 | E382 S383 N407 G408 | E382-S385 WeakPolarHBondContact O-CB 3.32Å; E382-S385 PolarHBondContact O-N 2.84Å; E382-S385 PolarHBondContact O-OG 2.85Å; S383-S385 PolarHBondContact O-N 2.78Å; S385-N407 CarbonylContact C-O 3.53Å; S385-N407 WeakPolarHBondContact CA-O 3.34Å; S385-G408 VanDerWaalsContact OG-CA 3.29Å; S385-G408 WeakPolarHBondContact OG-CA 3.37Å | ||
| 386 | V | 90.7 | Very high | 86.9 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.2 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | G362 A388 V406 N407 | G362-V386 CarbonylContact O-C 3.53Å; G362-V386 WeakPolarHBondContact O-CA 3.49Å; V386-A388 PolarHBondContact O-N 2.9Å; V386-A388 VanDerWaalsContact O-N 3.11Å; V386-V406 WeakPolarHBondContact O-CA 3.31Å; V386-N407 PolarHBondContact N-O 2.92Å; V386-N407 PolarHBondContact O-N 2.86Å |
| 387 | I | 93.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 88.5 | 171.1 | -50.3 | 177.3 | 0 | 0 | 0 | 107.7 | N360 G362 V365 W379 A381 V390 L404 A405 V406 | N360-I387 PolarHBondContact ND2-O 3.15Å; G362-I387 PolarHBondContact O-N 2.74Å; V365-I387 HydrophobicContact CB-CD1 4.49Å; V365-I387 HydrophobicContact CG2-CD1 3.81Å; V365-I387 HydrophobicContact CG2-CG2 4.1Å; W379-I387 HydrophobicContact CE3-CD1 3.89Å; W379-I387 HydrophobicContact CZ3-CD1 3.71Å; W379-I387 HydrophobicContact CZ3-CG1 4.05Å; A381-I387 HydrophobicContact CB-CD1 4.38Å; A381-I387 HydrophobicContact CB-CG1 4.08Å; I387-V390 HydrophobicContact CG2-CG2 3.7Å; I387-L404 HydrophobicContact CG2-CB 4.47Å; I387-A405 CarbonylContact C-O 3.24Å; I387-A405 WeakPolarHBondContact CA-O 3.31Å; I387-V406 HydrophobicContact CG1-CG2 4.35Å |
| 388 | A | 91.4 | Very high | 83.9 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -35.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V386 A405 I434 | V386-A388 PolarHBondContact O-N 2.9Å; V386-A388 VanDerWaalsContact O-N 3.11Å; A388-A405 PolarHBondContact N-O 2.91Å; A388-I434 WeakPolarHBondContact CB-O 3.27Å |
| 389 | S | 93.1 | Very high | 83 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 149.6 | -177.2 | -164 | 0 | 0 | 0 | 0 | 111.6 | A405 | S389-A405 PolarHBondContact O-N 3.45Å |
| 390 | V | 94.6 | Very high | 82.3 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.2 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | W358 N360 V365 I387 L402 L403 L404 | W358-V390 HydrophobicContact CD2-CG1 3.81Å; W358-V390 HydrophobicContact CE3-CB 4.13Å; W358-V390 HydrophobicContact CE3-CG1 3.82Å; W358-V390 HydrophobicContact CE3-CG2 4.5Å; W358-V390 HydrophobicContact CH2-CB 3.64Å; W358-V390 HydrophobicContact CH2-CG1 3.95Å; W358-V390 HydrophobicContact CH2-CG2 4.49Å; W358-V390 HydrophobicContact CZ2-CB 4.01Å; W358-V390 HydrophobicContact CZ2-CG1 3.89Å; W358-V390 HydrophobicContact CZ3-CB 3.69Å; W358-V390 HydrophobicContact CZ3-CG1 3.9Å; W358-V390 HydrophobicContact CZ3-CG2 4.11Å; N360-V390 HydrophobicContact CB-CG2 4.25Å; V365-V390 HydrophobicContact CG2-CG2 3.94Å; I387-V390 HydrophobicContact CG2-CG2 3.7Å; V390-L402 HydrophobicContact CG1-CB 4.22Å; V390-L402 HydrophobicContact CG1-CD1 4.14Å; V390-L402 HydrophobicContact CG1-CD2 4.35Å; V390-L402 HydrophobicContact CG1-CG 4.47Å; V390-L403 VanDerWaalsContact CA-O 3.3Å; V390-L403 WeakPolarHBondContact CA-O 3.49Å; V390-L404 HydrophobicContact CB-CD2 4.39Å; V390-L404 HydrophobicContact CG1-CD2 3.93Å; V390-L404 HydrophobicContact CG2-CD2 3.79Å |
| 391 | C | 92.6 | Very high | 82.2 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 160.3 | 172.9 | 93.4 | 0 | 0 | 0 | 0 | 111.6 | L402 L403 L437 | C391-L402 CarbonylContact O-C 3.59Å; C391-L402 VanDerWaalsContact O-CA 3.3Å; C391-L402 WeakPolarHBondContact O-CA 3.47Å; C391-L403 PolarHBondContact N-O 3.06Å; C391-L403 PolarHBondContact O-N 3.43Å; C391-L437 HydrophobicContact CB-CD1 3.71Å |
| 392 | V | 89.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 140.1 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | V352 Y400 L402 | V352-V392 HydrophobicContact CG1-CG1 3.95Å; V352-V392 HydrophobicContact CG1-CG2 4.4Å; V352-V392 HydrophobicContact CG2-CG2 4.17Å; V392-Y400 HydrophobicContact CG1-CD1 3.9Å; V392-L402 HydrophobicContact CG2-CD2 4.12Å |
| 393 | Y | 85.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 107.6 | -179.2 | -173.6 | -100.8 | 0 | 0 | 0 | 110.5 | M395 A401 L403 P439 W442 P443 S463 W495 | Y393-M395 HydrophobicContact CD1-CG 4Å; Y393-M395 HydrophobicContact CE1-CG 4.22Å; Y393-M395 PolarHBondContact O-N 3.05Å; Y393-A401 HydrophobicContact CD1-CB 4.28Å; Y393-A401 PolarHBondContact N-O 3.21Å; Y393-A401 PolarHBondContact O-N 3.32Å; Y393-L403 HydrophobicContact CD2-CD1 3.72Å; Y393-L403 HydrophobicContact CD2-CD2 4.41Å; Y393-L403 HydrophobicContact CD2-CG 3.98Å; Y393-L403 HydrophobicContact CE2-CD1 4.24Å; Y393-L403 HydrophobicContact CG-CD1 4.38Å; Y393-L403 HydrophobicContact CG-CD2 4.5Å; Y393-L403 HydrophobicContact CG-CG 4.14Å; Y393-P439 HydrophobicContact CD2-CB 3.8Å; Y393-P439 HydrophobicContact CE2-CB 4.22Å; Y393-W442 HydrophobicContact CD2-CB 4.36Å; Y393-W442 HydrophobicContact CE2-CB 3.81Å; Y393-P443 WeakPolarHBondContact OH-CD 3.34Å; Y393-S463 WeakPolarHBondContact OH-CB 3.41Å; Y393-W495 HydrophobicContact CE1-CH2 4.31Å; Y393-W495 HydrophobicContact CE1-CZ2 4.11Å |
| 394 | S | 77.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | N396 W442 | S394-N396 PolarHBondContact OG-O 3.36Å; S394-W442 WeakPolarHBondContact O-CB 3.23Å |
| 395 | M | 68.5 | Low | 84.1 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -94.9 | -25.3 | 173.5 | -60.3 | -167.4 | 65 | 0 | 0 | 112 | Y393 D399 A401 F494 W495 | Y393-M395 HydrophobicContact CD1-CG 4Å; Y393-M395 HydrophobicContact CE1-CG 4.22Å; Y393-M395 PolarHBondContact O-N 3.05Å; M395-D399 HydrophobicContact CB-CB 4.45Å; M395-D399 PolarHBondContact N-O 2.98Å; M395-A401 HydrophobicContact CG-CB 4.15Å; M395-A401 HydrophobicContact SD-CB 3.87Å; M395-F494 HydrophobicContact CE-CB 3.59Å; M395-F494 HydrophobicContact CE-CD1 3.44Å; M395-F494 VanDerWaalsContact CE-CD1 3.44Å; M395-F494 HydrophobicContact CE-CE1 4.3Å; M395-F494 HydrophobicContact CE-CG 3.72Å; M395-W495 HydrophobicContact CE-CD2 4.33Å; M395-W495 VanDerWaalsContact CE-CE2 3.45Å; M395-W495 HydrophobicContact CE-CZ2 3.62Å; M395-W495 HydrophobicContact SD-CZ2 4.09Å; M395-W495 PolarHBondContact SD-NE1 3.04Å |
| 396 | N | 66.7 | Low | 84.3 | Confident | 62 Ų | 62 | 31.4 Ų | 31.4 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -163.6 | -170.5 | 164.9 | 57.9 | 64.3 | 0 | 0 | 0 | 107.7 | S394 S398 D399 | S394-N396 PolarHBondContact OG-O 3.36Å; N396-S398 PolarHBondContact O-N 2.76Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 PolarHBondContact OD1-N 2.92Å; N396-D399 PolarHBondContact N-O 2.76Å; N396-D399 PolarHBondContact ND2-OD2 3.16Å; N396-D399 PolarHBondContact OD1-N 3.32Å |
| 397 | A | 57.6 | Low | 84.5 | Confident | 93 Ų | 93 | 29 Ų | 29 | 77% | 0.769 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -64.9 | -12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 398 | S | 60.3 | Low | 84.3 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 64% | 0.643 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -122.1 | -36 | -176.3 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | N396 Y400 | N396-S398 PolarHBondContact O-N 2.76Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 PolarHBondContact OD1-N 2.92Å; S398-Y400 VanDerWaalsContact O-CD2 3.3Å; S398-Y400 WeakPolarHBondContact O-CD2 3.44Å; S398-Y400 WeakPolarHBondContact O-CE2 3.34Å |
| 399 | D | 72.5 | Confident | 83.9 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | trans | -96.9 | 128 | -174.9 | -54.7 | -36.9 | 0 | 0 | 0 | 111.1 | M395 N396 | M395-D399 HydrophobicContact CB-CB 4.45Å; M395-D399 PolarHBondContact N-O 2.98Å; N396-D399 PolarHBondContact N-O 2.76Å; N396-D399 PolarHBondContact ND2-OD2 3.16Å; N396-D399 PolarHBondContact OD1-N 3.32Å | ||
| 400 | Y | 78.5 | Confident | 83.2 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 25% | 0.247 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.9 | -178.2 | -59.7 | -96.7 | 0 | 0 | 0 | 110.9 | V352 V392 S398 | V352-Y400 HydrophobicContact CG1-CD1 3.86Å; V352-Y400 HydrophobicContact CG1-CD2 4.37Å; V352-Y400 HydrophobicContact CG1-CG 3.63Å; V392-Y400 HydrophobicContact CG1-CD1 3.9Å; S398-Y400 VanDerWaalsContact O-CD2 3.3Å; S398-Y400 WeakPolarHBondContact O-CD2 3.44Å; S398-Y400 WeakPolarHBondContact O-CE2 3.34Å |
| 401 | A | 87.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 171.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y393 M395 F417 | Y393-A401 HydrophobicContact CD1-CB 4.28Å; Y393-A401 PolarHBondContact N-O 3.21Å; Y393-A401 PolarHBondContact O-N 3.32Å; M395-A401 HydrophobicContact CG-CB 4.15Å; M395-A401 HydrophobicContact SD-CB 3.87Å; A401-F417 CarbonylContact C-O 3.56Å; A401-F417 WeakPolarHBondContact CA-O 3.46Å; A401-F417 VanDerWaalsContact CB-O 3.23Å; A401-F417 WeakPolarHBondContact CB-O 3.46Å |
| 402 | L | 93.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.1 | 164.8 | -58.6 | 176.9 | 0 | 0 | 0 | 109.3 | V352 W358 V365 V367 V390 C391 V392 L404 A416 F417 I419 | V352-L402 HydrophobicContact CG2-CD2 3.95Å; W358-L402 HydrophobicContact CB-CD1 3.84Å; W358-L402 HydrophobicContact CG-CD1 3.96Å; W358-L402 HydrophobicContact CG-CD2 4.24Å; V365-L402 HydrophobicContact CG1-CD1 3.89Å; V367-L402 HydrophobicContact CG2-CD1 3.97Å; V390-L402 HydrophobicContact CG1-CB 4.22Å; V390-L402 HydrophobicContact CG1-CD1 4.14Å; V390-L402 HydrophobicContact CG1-CD2 4.35Å; V390-L402 HydrophobicContact CG1-CG 4.47Å; C391-L402 CarbonylContact O-C 3.59Å; C391-L402 VanDerWaalsContact O-CA 3.3Å; C391-L402 WeakPolarHBondContact O-CA 3.47Å; V392-L402 HydrophobicContact CG2-CD2 4.12Å; L402-L404 HydrophobicContact CB-CD2 4.09Å; L402-A416 WeakPolarHBondContact O-CA 3.39Å; L402-F417 HydrophobicContact CB-CB 4.38Å; L402-F417 HydrophobicContact CD1-CD1 4.27Å; L402-F417 PolarHBondContact N-O 2.83Å; L402-F417 PolarHBondContact O-N 3.46Å; L402-I419 HydrophobicContact CG-CD1 4.31Å |
| 403 | L | 93.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134 | 159.4 | -68.1 | 174.9 | 0 | 0 | 0 | 108.5 | V390 C391 Y393 V414 L415 A416 L427 L437 P439 V465 | V390-L403 VanDerWaalsContact CA-O 3.3Å; V390-L403 WeakPolarHBondContact CA-O 3.49Å; C391-L403 PolarHBondContact N-O 3.06Å; C391-L403 PolarHBondContact O-N 3.43Å; Y393-L403 HydrophobicContact CD2-CD1 3.72Å; Y393-L403 HydrophobicContact CD2-CD2 4.41Å; Y393-L403 HydrophobicContact CD2-CG 3.98Å; Y393-L403 HydrophobicContact CE2-CD1 4.24Å; Y393-L403 HydrophobicContact CG-CD1 4.38Å; Y393-L403 HydrophobicContact CG-CD2 4.5Å; Y393-L403 HydrophobicContact CG-CG 4.14Å; L403-V414 HydrophobicContact CD2-CG1 4.39Å; L403-L415 CarbonylContact C-O 3.57Å; L403-L415 VanDerWaalsContact CA-O 3.32Å; L403-L415 WeakPolarHBondContact CA-O 3.2Å; L403-A416 HydrophobicContact CD2-CB 4.1Å; L403-L427 HydrophobicContact CD2-CD1 3.53Å; L403-L437 HydrophobicContact CB-CD1 4.01Å; L403-L437 HydrophobicContact CB-CD2 4.16Å; L403-P439 HydrophobicContact CD1-CB 4.17Å; L403-V465 HydrophobicContact CD1-CG1 4.08Å; L403-V465 HydrophobicContact CD1-CG2 3.67Å |
| 404 | L | 94.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.7 | 178.4 | -47.3 | 179.8 | 0 | 0 | 0 | 108.4 | V365 W379 I387 V390 L402 V406 V414 L415 F417 | V365-L404 HydrophobicContact CG2-CD2 4.15Å; W379-L404 HydrophobicContact CD2-CD1 4.18Å; W379-L404 HydrophobicContact CE3-CD1 3.54Å; W379-L404 HydrophobicContact CZ3-CD1 3.88Å; I387-L404 HydrophobicContact CG2-CB 4.47Å; V390-L404 HydrophobicContact CB-CD2 4.39Å; V390-L404 HydrophobicContact CG1-CD2 3.93Å; V390-L404 HydrophobicContact CG2-CD2 3.79Å; L402-L404 HydrophobicContact CB-CD2 4.09Å; L404-V406 HydrophobicContact CB-CG2 4.14Å; L404-V414 WeakPolarHBondContact O-CA 3.5Å; L404-L415 HydrophobicContact CB-CB 4.3Å; L404-L415 PolarHBondContact N-O 3Å; L404-L415 PolarHBondContact O-N 3.26Å; L404-F417 HydrophobicContact CD1-CB 4.08Å; L404-F417 HydrophobicContact CD1-CD1 4.43Å; L404-F417 HydrophobicContact CG-CB 4.31Å |
| 405 | A | 94.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | I387 A388 S389 I434 L437 | I387-A405 CarbonylContact C-O 3.24Å; I387-A405 WeakPolarHBondContact CA-O 3.31Å; A388-A405 PolarHBondContact N-O 2.91Å; S389-A405 PolarHBondContact O-N 3.45Å; A405-I434 HydrophobicContact CB-CB 4.02Å; A405-I434 HydrophobicContact CB-CD1 4.02Å; A405-I434 HydrophobicContact CB-CG2 3.49Å; A405-I434 VanDerWaalsContact CB-CG2 3.49Å; A405-L437 HydrophobicContact CB-CD2 3.83Å; A405-L437 HydrophobicContact CB-CG 4.12Å |
| 406 | V | 94.8 | Very high | 84.8 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113.9 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | W379 A381 V386 I387 L404 N412 D413 L415 | W379-V406 HydrophobicContact CH2-CG1 4.49Å; W379-V406 HydrophobicContact CH2-CG2 3.92Å; W379-V406 HydrophobicContact CZ3-CG2 3.93Å; A381-V406 HydrophobicContact CB-CG1 4.31Å; V386-V406 WeakPolarHBondContact O-CA 3.31Å; I387-V406 HydrophobicContact CG1-CG2 4.35Å; L404-V406 HydrophobicContact CB-CG2 4.14Å; V406-N412 CarbonylContact O-C 3.59Å; V406-N412 WeakPolarHBondContact O-CA 3.43Å; V406-D413 PolarHBondContact N-O 3.36Å; V406-D413 PolarHBondContact O-N 2.84Å; V406-L415 HydrophobicContact CG2-CD1 3.76Å; V406-L415 HydrophobicContact CG2-CG 4.24Å |
| 407 | N | 94.7 | Very high | 85.9 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.1 | 171.9 | -61.5 | -14.8 | 0 | 0 | 0 | 107.3 | S385 V386 N412 I434 | S385-N407 CarbonylContact C-O 3.53Å; S385-N407 WeakPolarHBondContact CA-O 3.34Å; V386-N407 PolarHBondContact N-O 2.92Å; V386-N407 PolarHBondContact O-N 2.86Å; N407-N412 VanDerWaalsContact CA-OD1 3.31Å; N407-N412 WeakPolarHBondContact CA-OD1 3.37Å; N407-N412 WeakPolarHBondContact CB-OD1 3.33Å; N407-N412 PolarHBondContact OD1-OD1 2.98Å; N407-I434 PolarHBondContact ND2-N 3.12Å; N407-I434 PolarHBondContact ND2-O 3.41Å; N407-I434 WeakPolarHBondContact OD1-CB 3.43Å; N407-I434 PolarHBondContact OD1-N 2.92Å |
| 408 | G | 89.2 | Confident | 87.3 | Confident | 18 Ų | 18 | 30 Ų | 30 | 19% | 0.186 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 160.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S385 N410 G411 | S385-G408 VanDerWaalsContact OG-CA 3.29Å; S385-G408 WeakPolarHBondContact OG-CA 3.37Å; G408-N410 PolarHBondContact O-N 2.81Å; G408-N410 VanDerWaalsContact O-N 3.12Å; G408-G411 CarbonylContact C-O 3.59Å; G408-G411 WeakPolarHBondContact CA-O 3.4Å; G408-G411 PolarHBondContact N-O 3.09Å; G408-G411 CarbonylContact O-C 3.53Å; G408-G411 PolarHBondContact O-N 2.72Å |
| 409 | V | 82.6 | Confident | 88.6 | Confident | 103 Ų | 103 | 25.9 Ų | 25.9 | 62% | 0.624 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.5 | -179 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | E384 | E384-V409 HydrophobicContact CB-CG2 3.82Š|
| 410 | N | 77.9 | Confident | 89.2 | Confident | 138 Ų | 138 | 27.9 Ų | 27.9 | 74% | 0.738 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.3 | 179.3 | -67.5 | -45.7 | 0 | 0 | 0 | 114.1 | E382 G408 | E382-N410 PolarHBondContact OE2-ND2 3.28Å; G408-N410 PolarHBondContact O-N 2.81Å; G408-N410 VanDerWaalsContact O-N 3.12Å |
| 411 | G | 85 | Confident | 89.4 | Confident | 25 Ų | 25 | 27.1 Ų | 27.1 | 26% | 0.258 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 144 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G408 | G408-G411 CarbonylContact C-O 3.59Å; G408-G411 WeakPolarHBondContact CA-O 3.4Å; G408-G411 PolarHBondContact N-O 3.09Å; G408-G411 CarbonylContact O-C 3.53Å; G408-G411 PolarHBondContact O-N 2.72Å |
| 412 | N | 92.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.9 | 177.6 | -51 | -71.7 | 0 | 0 | 0 | 108.9 | V406 N407 T429 V430 E432 E433 I434 | V406-N412 CarbonylContact O-C 3.59Å; V406-N412 WeakPolarHBondContact O-CA 3.43Å; N407-N412 VanDerWaalsContact CA-OD1 3.31Å; N407-N412 WeakPolarHBondContact CA-OD1 3.37Å; N407-N412 WeakPolarHBondContact CB-OD1 3.33Å; N407-N412 PolarHBondContact OD1-OD1 2.98Å; N412-T429 WeakPolarHBondContact O-CA 3.24Å; N412-T429 WeakPolarHBondContact O-CG2 3.48Å; N412-V430 HydrophobicContact CB-CB 4.38Å; N412-V430 PolarHBondContact O-N 2.87Å; N412-E432 WeakPolarHBondContact CB-O 3.48Å; N412-E432 VanDerWaalsContact CG-O 3.26Å; N412-E432 PolarHBondContact ND2-O 2.85Å; N412-E433 PolarHBondContact ND2-N 2.92Å; N412-I434 HydrophobicContact CB-CD1 4.24Å; N412-I434 HydrophobicContact CB-CG1 4.22Å |
| 413 | D | 92.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.3 | -169.3 | -83.2 | -46.4 | 0 | 0 | 0 | 113 | V406 L415 Q426 T429 | V406-D413 PolarHBondContact N-O 3.36Å; V406-D413 PolarHBondContact O-N 2.84Å; D413-L415 HydrophobicContact CB-CD2 3.8Å; D413-L415 HydrophobicContact CB-CG 4.45Å; D413-Q426 PolarHBondContact OD1-NE2 3.03Å; D413-Q426 PolarHBondContact OD2-NE2 2.79Å; D413-T429 VanDerWaalsContact OD1-CA 3.27Å; D413-T429 WeakPolarHBondContact OD1-CA 3.44Å; D413-T429 VanDerWaalsContact OD1-CB 3.25Å; D413-T429 WeakPolarHBondContact OD1-CB 3.48Å; D413-T429 WeakPolarHBondContact OD1-CG2 3.43Å; D413-T429 PolarHBondContact OD1-OG1 3.03Å |
| 414 | V | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.7 | 167.4 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | L403 L404 L427 F428 V430 I434 L437 V467 | L403-V414 HydrophobicContact CD2-CG1 4.39Å; L404-V414 WeakPolarHBondContact O-CA 3.5Å; V414-L427 WeakPolarHBondContact O-CB 3.38Å; V414-L427 PolarHBondContact O-N 2.85Å; V414-F428 HydrophobicContact CB-CB 4.42Å; V414-F428 HydrophobicContact CB-CD2 4.18Å; V414-F428 HydrophobicContact CG1-CD2 4.23Å; V414-F428 PolarHBondContact N-O 2.82Å; V414-F428 PolarHBondContact O-N 3.07Å; V414-V430 HydrophobicContact CG2-CG2 4Å; V414-I434 HydrophobicContact CG2-CD1 4.02Å; V414-L437 HydrophobicContact CG1-CD2 3.82Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; V414-V467 HydrophobicContact CG2-CG2 4.01Å |
| 415 | L | 91.5 | Very high | 88.3 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.6 | -177.8 | -44.6 | 179.4 | 0 | 0 | 0 | 110.6 | W379 L403 L404 V406 D413 V424 Q426 | W379-L415 HydrophobicContact CH2-CD1 3.53Å; W379-L415 HydrophobicContact CZ2-CD1 3.72Å; W379-L415 HydrophobicContact CZ3-CD1 4.25Å; L403-L415 CarbonylContact C-O 3.57Å; L403-L415 VanDerWaalsContact CA-O 3.32Å; L403-L415 WeakPolarHBondContact CA-O 3.2Å; L404-L415 HydrophobicContact CB-CB 4.3Å; L404-L415 PolarHBondContact N-O 3Å; L404-L415 PolarHBondContact O-N 3.26Å; V406-L415 HydrophobicContact CG2-CD1 3.76Å; V406-L415 HydrophobicContact CG2-CG 4.24Å; D413-L415 HydrophobicContact CB-CD2 3.8Å; D413-L415 HydrophobicContact CB-CG 4.45Å; L415-V424 HydrophobicContact CB-CG1 3.64Å; L415-V424 HydrophobicContact CD1-CG1 3.82Å; L415-V424 HydrophobicContact CG-CG1 4.26Å; L415-Q426 HydrophobicContact CD2-CB 3.89Å; L415-Q426 HydrophobicContact CD2-CG 3.96Å |
| 416 | A | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L402 L403 V424 V425 L427 W495 | L402-A416 WeakPolarHBondContact O-CA 3.39Å; L403-A416 HydrophobicContact CD2-CB 4.1Å; A416-V424 CarbonylContact O-C 3.55Å; A416-V424 VanDerWaalsContact O-CA 3.29Å; A416-V424 WeakPolarHBondContact O-CA 3.49Å; A416-V425 PolarHBondContact N-O 2.84Å; A416-V425 PolarHBondContact O-N 2.9Å; A416-L427 HydrophobicContact CB-CD1 4.07Å; A416-L427 HydrophobicContact CB-CD2 3.98Å; A416-L427 HydrophobicContact CB-CG 3.99Å; A416-W495 HydrophobicContact CB-CH2 3.89Å; A416-W495 HydrophobicContact CB-CZ2 3.65Å; A416-W495 HydrophobicContact CB-CZ3 4.45Å |
| 417 | F | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.9 | -179.8 | 179.6 | -154.7 | 0 | 0 | 0 | 110.6 | V365 V367 A377 W379 A401 L402 L404 I419 N422 V424 | V365-F417 HydrophobicContact CG1-CD1 4.43Å; V365-F417 HydrophobicContact CG1-CE1 4.26Å; V367-F417 HydrophobicContact CG2-CE1 4.05Å; A377-F417 HydrophobicContact CB-CE2 4.38Å; A377-F417 HydrophobicContact CB-CZ 3.81Å; W379-F417 HydrophobicContact CB-CD1 4.47Å; W379-F417 HydrophobicContact CB-CE1 4.06Å; W379-F417 HydrophobicContact CB-CE2 4.25Å; W379-F417 HydrophobicContact CB-CZ 3.92Å; A401-F417 CarbonylContact C-O 3.56Å; A401-F417 WeakPolarHBondContact CA-O 3.46Å; A401-F417 VanDerWaalsContact CB-O 3.23Å; A401-F417 WeakPolarHBondContact CB-O 3.46Å; L402-F417 HydrophobicContact CB-CB 4.38Å; L402-F417 HydrophobicContact CD1-CD1 4.27Å; L402-F417 PolarHBondContact N-O 2.83Å; L402-F417 PolarHBondContact O-N 3.46Å; L404-F417 HydrophobicContact CD1-CB 4.08Å; L404-F417 HydrophobicContact CD1-CD1 4.43Å; L404-F417 HydrophobicContact CG-CB 4.31Å; F417-I419 PolarHBondContact O-N 2.89Å; F417-N422 VanDerWaalsContact CE2-OD1 3.31Å; F417-N422 WeakPolarHBondContact CE2-OD1 3.49Å; F417-N422 WeakPolarHBondContact CZ-OD1 3.39Å; F417-V424 HydrophobicContact CB-CG2 3.9Å; F417-V424 HydrophobicContact CD2-CG2 3.44Å; F417-V424 VanDerWaalsContact CD2-CG2 3.44Å; F417-V424 HydrophobicContact CE2-CG2 4.14Å; F417-V424 HydrophobicContact CG-CG2 3.83Å |
| 418 | D | 87.2 | Confident | 86.7 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.5 | 176 | -175.8 | -30.7 | 0 | 0 | 0 | 109.9 | L420 S421 N422 T423 S493 | D418-L420 VanDerWaalsContact C-N 3.28Å; D418-L420 PolarHBondContact O-N 3.37Å; D418-L420 PolarHBondContact OD1-N 3.12Å; D418-S421 WeakPolarHBondContact CB-OG 3.38Å; D418-S421 PolarHBondContact OD1-N 2.92Å; D418-S421 VanDerWaalsContact OD1-N 3.08Å; D418-S421 PolarHBondContact OD1-OG 2.78Å; D418-S421 PolarHBondContact OD2-OG 2.88Å; D418-N422 VanDerWaalsContact O-CA 3.26Å; D418-N422 WeakPolarHBondContact O-CA 3.46Å; D418-N422 PolarHBondContact O-N 2.79Å; D418-T423 PolarHBondContact N-O 2.85Å; D418-T423 PolarHBondContact O-N 2.7Å; D418-S493 WeakPolarHBondContact OD2-CB 3.44Å |
| 419 | I | 87.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.8 | -176.5 | -58.6 | 171.6 | 0 | 0 | 0 | 111.2 | V352 V367 V376 A377 L402 F417 | V352-I419 HydrophobicContact CB-CD1 4.5Å; V352-I419 HydrophobicContact CG1-CD1 3.95Å; V352-I419 HydrophobicContact CG2-CD1 4.23Å; V367-I419 HydrophobicContact CB-CG2 4.48Å; V367-I419 HydrophobicContact CG1-CD1 4.33Å; V367-I419 HydrophobicContact CG1-CG2 3.9Å; V376-I419 HydrophobicContact CG2-CG2 4.26Å; A377-I419 HydrophobicContact CB-CG2 4.25Å; L402-I419 HydrophobicContact CG-CD1 4.31Å; F417-I419 PolarHBondContact O-N 2.89Å |
| 420 | L | 84 | Confident | 86.9 | Confident | 107 Ų | 107 | 38.4 Ų | 38.4 | 56% | 0.56 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -29.7 | -173 | -64 | -179.7 | 0 | 0 | 0 | 113 | D418 | D418-L420 VanDerWaalsContact C-N 3.28Å; D418-L420 PolarHBondContact O-N 3.37Å; D418-L420 PolarHBondContact OD1-N 3.12Å |
| 421 | S | 84 | Confident | 87.2 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -10.2 | 170.6 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | D418 T423 | D418-S421 WeakPolarHBondContact CB-OG 3.38Å; D418-S421 PolarHBondContact OD1-N 2.92Å; D418-S421 VanDerWaalsContact OD1-N 3.08Å; D418-S421 PolarHBondContact OD1-OG 2.78Å; D418-S421 PolarHBondContact OD2-OG 2.88Å; S421-T423 VanDerWaalsContact C-N 3.28Å; S421-T423 PolarHBondContact O-N 2.89Å; S421-T423 PolarHBondContact OG-OG1 2.65Å |
| 422 | N | 86.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 35.5 Ų | 35.5 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 44 | -170.2 | -163.8 | 50 | 0 | 0 | 0 | 112.1 | A377 S378 F417 D418 | A377-N422 VanDerWaalsContact CA-OD1 3.24Å; A377-N422 WeakPolarHBondContact CA-OD1 3.39Å; A377-N422 HydrophobicContact CB-CB 4.35Å; A377-N422 VanDerWaalsContact CB-OD1 3.23Å; A377-N422 WeakPolarHBondContact CB-OD1 3.36Å; S378-N422 PolarHBondContact N-OD1 2.9Å; S378-N422 PolarHBondContact O-OD1 3.11Å; F417-N422 VanDerWaalsContact CE2-OD1 3.31Å; F417-N422 WeakPolarHBondContact CE2-OD1 3.49Å; F417-N422 WeakPolarHBondContact CZ-OD1 3.39Å; D418-N422 VanDerWaalsContact O-CA 3.26Å; D418-N422 WeakPolarHBondContact O-CA 3.46Å; D418-N422 PolarHBondContact O-N 2.79Å |
| 423 | T | 86.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.8 | -178.7 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | D418 S421 | D418-T423 PolarHBondContact N-O 2.85Å; D418-T423 PolarHBondContact O-N 2.7Å; S421-T423 VanDerWaalsContact C-N 3.28Å; S421-T423 PolarHBondContact O-N 2.89Å; S421-T423 PolarHBondContact OG-OG1 2.65Å |
| 424 | V | 86.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.5 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | W379 L415 A416 F417 | W379-V424 HydrophobicContact CB-CG2 4.23Å; W379-V424 VanDerWaalsContact CD1-CG2 3.41Å; W379-V424 HydrophobicContact CD2-CG2 4.12Å; W379-V424 HydrophobicContact CG-CG2 3.65Å; L415-V424 HydrophobicContact CB-CG1 3.64Å; L415-V424 HydrophobicContact CD1-CG1 3.82Å; L415-V424 HydrophobicContact CG-CG1 4.26Å; A416-V424 CarbonylContact O-C 3.55Å; A416-V424 VanDerWaalsContact O-CA 3.29Å; A416-V424 WeakPolarHBondContact O-CA 3.49Å; F417-V424 HydrophobicContact CB-CG2 3.9Å; F417-V424 HydrophobicContact CD2-CG2 3.44Å; F417-V424 VanDerWaalsContact CD2-CG2 3.44Å; F417-V424 HydrophobicContact CE2-CG2 4.14Å; F417-V424 HydrophobicContact CG-CG2 3.83Å |
| 425 | V | 84.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.5 | 175.6 | 172 | 0 | 0 | 0 | 0 | 110.5 | A416 L427 W495 | A416-V425 PolarHBondContact N-O 2.84Å; A416-V425 PolarHBondContact O-N 2.9Å; V425-L427 PolarHBondContact O-N 3.33Å; V425-W495 HydrophobicContact CG2-CB 3.92Å |
| 426 | Q | 86.2 | Confident | 87.5 | Confident | 105 Ų | 105 | 39.8 Ų | 39.8 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 126.4 | 172.9 | -167.6 | -175.8 | 21 | 0 | 0 | 110.4 | D413 L415 T429 | D413-Q426 PolarHBondContact OD1-NE2 3.03Å; D413-Q426 PolarHBondContact OD2-NE2 2.79Å; L415-Q426 HydrophobicContact CD2-CB 3.89Å; L415-Q426 HydrophobicContact CD2-CG 3.96Å; Q426-T429 PolarHBondContact NE2-OG1 3.49Å |
| 427 | L | 81.9 | Confident | 87.8 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -51.3 | 175.8 | -60.5 | -169 | 0 | 0 | 0 | 111.6 | L403 V414 A416 V425 W495 | L403-L427 HydrophobicContact CD2-CD1 3.53Å; V414-L427 WeakPolarHBondContact O-CB 3.38Å; V414-L427 PolarHBondContact O-N 2.85Å; A416-L427 HydrophobicContact CB-CD1 4.07Å; A416-L427 HydrophobicContact CB-CD2 3.98Å; A416-L427 HydrophobicContact CB-CG 3.99Å; V425-L427 PolarHBondContact O-N 3.33Å; L427-W495 HydrophobicContact CD2-CE3 4.43Å; L427-W495 HydrophobicContact CD2-CH2 3.89Å; L427-W495 HydrophobicContact CD2-CZ3 3.59Å |
| 428 | F | 84 | Confident | 87.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.5 | -172 | -44.6 | -68.7 | 0 | 0 | 0 | 110.3 | V414 V465 F477 K479 | V414-F428 HydrophobicContact CB-CB 4.42Å; V414-F428 HydrophobicContact CB-CD2 4.18Å; V414-F428 HydrophobicContact CG1-CD2 4.23Å; V414-F428 PolarHBondContact N-O 2.82Å; V414-F428 PolarHBondContact O-N 3.07Å; F428-V465 HydrophobicContact CE2-CB 4.11Å; F428-V465 HydrophobicContact CE2-CG2 3.97Å; F428-F477 HydrophobicContact CB-CB 4.44Å; F428-F477 HydrophobicContact CB-CD1 3.82Å; F428-F477 HydrophobicContact CB-CE1 4.27Å; F428-F477 HydrophobicContact CB-CG 4.14Å; F428-F477 HydrophobicContact CD1-CB 3.8Å; F428-F477 HydrophobicContact CD1-CD1 4.05Å; F428-F477 HydrophobicContact CD1-CG 4.27Å; F428-F477 HydrophobicContact CD2-CB 3.69Å; F428-F477 HydrophobicContact CD2-CG 4.19Å; F428-F477 HydrophobicContact CE1-CB 3.85Å; F428-F477 HydrophobicContact CE2-CB 3.75Å; F428-F477 HydrophobicContact CG-CB 3.71Å; F428-F477 AromaticContact CG-CD1 3.93Å; F428-F477 HydrophobicContact CG-CD1 3.93Å; F428-F477 AromaticContact CG-CG 3.95Å; F428-F477 HydrophobicContact CG-CG 3.95Å; F428-F477 HydrophobicContact CZ-CB 3.82Å; F428-K479 HydrophobicContact CE1-CB 3.95Å; F428-K479 HydrophobicContact CZ-CB 3.98Å |
| 429 | T | 87.2 | Confident | 88.1 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.2 | 165.5 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | N412 D413 Q426 N506 | N412-T429 WeakPolarHBondContact O-CA 3.24Å; N412-T429 WeakPolarHBondContact O-CG2 3.48Å; D413-T429 VanDerWaalsContact OD1-CA 3.27Å; D413-T429 WeakPolarHBondContact OD1-CA 3.44Å; D413-T429 VanDerWaalsContact OD1-CB 3.25Å; D413-T429 WeakPolarHBondContact OD1-CB 3.48Å; D413-T429 WeakPolarHBondContact OD1-CG2 3.43Å; D413-T429 PolarHBondContact OD1-OG1 3.03Å; Q426-T429 PolarHBondContact NE2-OG1 3.49Å; T429-N506 PolarHBondContact N-ND2 2.95Å |
| 430 | V | 87.7 | Confident | 88.3 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.9 | -174.4 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | N412 V414 E432 I434 V467 T469 Y475 F477 | N412-V430 HydrophobicContact CB-CB 4.38Å; N412-V430 PolarHBondContact O-N 2.87Å; V414-V430 HydrophobicContact CG2-CG2 4Å; V430-E432 PolarHBondContact O-N 3.44Å; V430-I434 HydrophobicContact CB-CD1 4.16Å; V430-I434 HydrophobicContact CB-CG1 4.05Å; V430-I434 HydrophobicContact CG1-CG1 4.08Å; V430-I434 HydrophobicContact CG2-CD1 3.76Å; V430-I434 HydrophobicContact CG2-CG1 4.03Å; V430-V467 HydrophobicContact CG1-CG1 4.4Å; V430-V467 HydrophobicContact CG2-CG1 4.27Å; V430-T469 HydrophobicContact CG1-CG2 4.22Å; V430-Y475 HydrophobicContact CG1-CD2 4.38Å; V430-F477 HydrophobicContact CB-CZ 4.34Å; V430-F477 HydrophobicContact CG1-CE2 4.43Å; V430-F477 HydrophobicContact CG1-CZ 4.34Å; V430-F477 HydrophobicContact CG2-CE2 3.92Å; V430-F477 HydrophobicContact CG2-CZ 3.9Å |
| 431 | P | 84.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 37 Ų | 37 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -67.3 | -16.4 | -174.9 | 26.9 | -36.1 | 0 | 0 | 0 | 114.4 | Y475 | P431-Y475 HydrophobicContact CG-CE2 3.91Š|
| 432 | E | 87.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -140.3 | 163.4 | -166.8 | -66.4 | 158.1 | -141.6 | 0 | 0 | 111.1 | N412 V430 I434 T469 Q471 H473 Y475 | N412-E432 WeakPolarHBondContact CB-O 3.48Å; N412-E432 VanDerWaalsContact CG-O 3.26Å; N412-E432 PolarHBondContact ND2-O 2.85Å; V430-E432 PolarHBondContact O-N 3.44Å; E432-I434 PolarHBondContact O-N 2.81Å; E432-T469 HydrophobicContact CB-CG2 3.91Å; E432-T469 WeakPolarHBondContact OE2-CB 3.34Å; E432-T469 PolarHBondContact OE2-OG1 2.93Å; E432-Q471 HydrophobicContact CG-CG 4.44Å; E432-Q471 WeakPolarHBondContact OE2-CB 3.39Å; E432-H473 IonicContact OE1-CE1 2.88Å; E432-H473 PolarHBondContact OE1-CE1 2.89Å; E432-H473 IonicContact OE1-CG 3.65Å; E432-H473 IonicContact OE1-ND1 2.69Å; E432-H473 PolarHBondContact OE1-ND1 3.22Å; E432-H473 IonicContact OE2-CE1 2.68Å; E432-H473 IonicContact OE2-CG 3.38Å; E432-H473 IonicContact OE2-ND1 2.67Å; E432-H473 PolarHBondContact OE2-ND1 3.05Å; E432-Y475 PolarHBondContact OE1-OH 3.4Å |
| 433 | E | 91.8 | Very high | 87.6 | Confident | 111 Ų | 111 | 35 Ų | 35 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | trans | -59.5 | 124.2 | 175.7 | -70.3 | 179.3 | -172.4 | 0 | 0 | 111.3 | N412 T469 M470 | N412-E433 PolarHBondContact ND2-N 2.92Å; E433-T469 CarbonylContact O-C 3.51Å; E433-T469 WeakPolarHBondContact O-CA 3.36Å; E433-T469 WeakPolarHBondContact O-CB 3.42Å; E433-M470 HydrophobicContact CB-CB 4.2Å; E433-M470 HydrophobicContact CB-CG 3.87Å; E433-M470 PolarHBondContact O-N 2.73Å | ||
| 434 | I | 94 | Very high | 86.7 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 140.7 | -177.8 | -56.1 | 163 | 0 | 0 | 0 | 109.9 | A388 A405 N407 N412 V414 V430 E432 V467 S468 | A388-I434 WeakPolarHBondContact CB-O 3.27Å; A405-I434 HydrophobicContact CB-CB 4.02Å; A405-I434 HydrophobicContact CB-CD1 4.02Å; A405-I434 HydrophobicContact CB-CG2 3.49Å; A405-I434 VanDerWaalsContact CB-CG2 3.49Å; N407-I434 PolarHBondContact ND2-N 3.12Å; N407-I434 PolarHBondContact ND2-O 3.41Å; N407-I434 WeakPolarHBondContact OD1-CB 3.43Å; N407-I434 PolarHBondContact OD1-N 2.92Å; N412-I434 HydrophobicContact CB-CD1 4.24Å; N412-I434 HydrophobicContact CB-CG1 4.22Å; V414-I434 HydrophobicContact CG2-CD1 4.02Å; V430-I434 HydrophobicContact CB-CD1 4.16Å; V430-I434 HydrophobicContact CB-CG1 4.05Å; V430-I434 HydrophobicContact CG1-CG1 4.08Å; V430-I434 HydrophobicContact CG2-CD1 3.76Å; V430-I434 HydrophobicContact CG2-CG1 4.03Å; E432-I434 PolarHBondContact O-N 2.81Å; I434-V467 HydrophobicContact CB-CG1 4.24Å; I434-V467 HydrophobicContact CD1-CG1 4.35Å; I434-V467 HydrophobicContact CG1-CG1 3.88Å; I434-V467 HydrophobicContact CG2-CG1 3.49Å; I434-V467 VanDerWaalsContact CG2-CG1 3.49Å; I434-S468 WeakPolarHBondContact CA-O 3.35Å |
| 435 | V | 92.6 | Very high | 86.2 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 21% | 0.212 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -55.3 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | S468 M470 V519 | V435-S468 PolarHBondContact N-O 2.88Å; V435-M470 HydrophobicContact CG2-CB 4.37Å; V435-M470 HydrophobicContact CG2-CG 3.68Å; V435-M470 HydrophobicContact CG2-SD 3.45Å; V435-M470 WeakPolarHBondContact CG2-SD 3.48Å; V435-V519 HydrophobicContact CB-CG1 4.4Å; V435-V519 HydrophobicContact CG1-CG1 4.1Å; V435-V519 HydrophobicContact CG2-CG1 3.82Å |
| 436 | C | 92.8 | Very high | 85.7 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.095 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 162.8 | 171.7 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | S468 | C436-S468 PolarHBondContact N-OG 3.08Å; C436-S468 PolarHBondContact O-N 3.16Å; C436-S468 PolarHBondContact SG-OG 2.92Å |
| 437 | L | 94.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158 | 174.8 | 53.2 | 60.8 | 0 | 0 | 0 | 111.6 | C391 L403 A405 V414 V465 A466 V467 | C391-L437 HydrophobicContact CB-CD1 3.71Å; L403-L437 HydrophobicContact CB-CD1 4.01Å; L403-L437 HydrophobicContact CB-CD2 4.16Å; A405-L437 HydrophobicContact CB-CD2 3.83Å; A405-L437 HydrophobicContact CB-CG 4.12Å; V414-L437 HydrophobicContact CG1-CD2 3.82Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; L437-V465 HydrophobicContact CB-CG1 4.16Å; L437-A466 CarbonylContact C-O 3.59Å; L437-A466 WeakPolarHBondContact CA-O 3.48Å; L437-A466 WeakPolarHBondContact CB-O 3.47Å; L437-V467 HydrophobicContact CB-CG2 4.28Å |
| 438 | E | 93.9 | Very high | 84.9 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 133.4 | -177.6 | 177.4 | 67.3 | 168.3 | 0 | 0 | 111 | V440 V465 A466 L523 L524 F525 L532 | E438-V440 PolarHBondContact O-N 3.35Å; E438-V465 WeakPolarHBondContact O-CA 3.45Å; E438-A466 PolarHBondContact N-O 3.15Å; E438-A466 PolarHBondContact O-N 2.72Å; E438-L523 HydrophobicContact CB-CB 3.72Å; E438-L523 HydrophobicContact CB-CD1 4.29Å; E438-L523 HydrophobicContact CG-CB 4.4Å; E438-L524 WeakPolarHBondContact OE1-CA 3.47Å; E438-F525 HydrophobicContact CG-CB 3.8Å; E438-F525 PolarHBondContact OE1-N 3.02Å; E438-L532 HydrophobicContact CG-CD1 4.15Å |
| 439 | P | 92.2 | Very high | 84.6 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 102.5 | -176.9 | 33 | -27.2 | 0 | 0 | 0 | 111 | Y393 L403 | Y393-P439 HydrophobicContact CD2-CB 3.8Å; Y393-P439 HydrophobicContact CE2-CB 4.22Å; L403-P439 HydrophobicContact CD1-CB 4.17Å |
| 440 | V | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -32.6 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | E438 W450 I464 A466 M476 F525 L532 V546 | E438-V440 PolarHBondContact O-N 3.35Å; V440-W450 HydrophobicContact CG1-CH2 4.11Å; V440-I464 HydrophobicContact CB-CB 4.13Å; V440-I464 HydrophobicContact CB-CG2 3.98Å; V440-I464 HydrophobicContact CG1-CG2 4.37Å; V440-I464 PolarHBondContact N-O 3.1Å; V440-A466 HydrophobicContact CG2-CB 3.79Å; V440-M476 HydrophobicContact CG2-SD 4.33Å; V440-F525 HydrophobicContact CB-CG 4.36Å; V440-F525 HydrophobicContact CG1-CD1 4.38Å; V440-F525 HydrophobicContact CG1-CD2 3.87Å; V440-F525 HydrophobicContact CG1-CE1 4.33Å; V440-F525 HydrophobicContact CG1-CE2 3.82Å; V440-F525 HydrophobicContact CG1-CG 4.16Å; V440-F525 HydrophobicContact CG1-CZ 4.05Å; V440-F525 HydrophobicContact CG2-CB 4.47Å; V440-F525 HydrophobicContact CG2-CG 4.41Å; V440-F525 WeakPolarHBondContact O-CD1 3.34Å; V440-F525 WeakPolarHBondContact O-CE1 3.4Å; V440-L532 HydrophobicContact CG2-CD1 4.36Å; V440-V546 HydrophobicContact CG1-CG1 4.03Å; V440-V546 HydrophobicContact CG1-CG2 4.01Å |
| 441 | R | 86.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.7 | 177.4 | -173.3 | 172.5 | -174.1 | 176 | -1.2 | 110.8 | L447 W450 F458 A459 A461 S463 I464 | R441-L447 VanDerWaalsContact NH2-CD2 3.29Å; R441-W450 HydrophobicContact CB-CH2 4.13Å; R441-W450 HydrophobicContact CB-CZ2 3.66Å; R441-W450 HydrophobicContact CG-CZ2 3.86Å; R441-F458 PolarHBondContact NH1-O 3.23Å; R441-A459 VanDerWaalsContact NH1-C 3.28Å; R441-A459 PolarHBondContact NH1-O 2.88Å; R441-A461 WeakPolarHBondContact CD-O 3.21Å; R441-A461 PolarHBondContact NE-O 2.93Å; R441-A461 VanDerWaalsContact NE-O 3.13Å; R441-A461 PolarHBondContact NH1-O 3.46Å; R441-S463 VanDerWaalsContact O-CA 3.23Å; R441-S463 WeakPolarHBondContact O-CA 3.42Å; R441-S463 WeakPolarHBondContact O-CB 3.22Å; R441-I464 HydrophobicContact CB-CB 3.79Å; R441-I464 HydrophobicContact CB-CD1 3.86Å; R441-I464 HydrophobicContact CB-CG1 3.79Å; R441-I464 PolarHBondContact N-O 3.15Å; R441-I464 PolarHBondContact O-N 3.1Å |
| 442 | W | 81.5 | Confident | 83.4 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | trans | -140.9 | 158.6 | -178.5 | 59.7 | 91.5 | 0 | 0 | 0 | 112.4 | Y393 S394 Q445 E462 | Y393-W442 HydrophobicContact CD2-CB 4.36Å; Y393-W442 HydrophobicContact CE2-CB 3.81Å; S394-W442 WeakPolarHBondContact O-CB 3.23Å; W442-Q445 HydrophobicContact CD2-CB 4.48Å; W442-Q445 HydrophobicContact CZ2-CG 4.09Å; W442-Q445 WeakPolarHBondContact O-CB 3.39Å; W442-Q445 PolarHBondContact O-N 3.23Å; W442-E462 CarbonylContact C-O 3.32Å | ||
| 443 | P | 72.2 | Confident | 83.1 | Confident | 21 Ų | 21 | 44 Ų | 44 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.5 | 176.1 | -28.2 | 35.3 | 0 | 0 | 0 | 113.3 | Y393 Q445 F494 | Y393-P443 WeakPolarHBondContact OH-CD 3.34Å; P443-Q445 VanDerWaalsContact C-N 3.28Å; P443-Q445 PolarHBondContact O-N 3.41Å; P443-F494 HydrophobicContact CB-CZ 4.47Å; P443-F494 HydrophobicContact CG-CE1 4.26Å; P443-F494 HydrophobicContact CG-CZ 4.01Å |
| 444 | G | 68.5 | Low | 82.5 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 81% | 0.814 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 445 | Q | 75.7 | Confident | 81.7 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | trans | -61.6 | 147 | 171.6 | -163.1 | -175.7 | 43.8 | 0 | 0 | 111.5 | W442 P443 L447 Q527 | W442-Q445 HydrophobicContact CD2-CB 4.48Å; W442-Q445 HydrophobicContact CZ2-CG 4.09Å; W442-Q445 WeakPolarHBondContact O-CB 3.39Å; W442-Q445 PolarHBondContact O-N 3.23Å; P443-Q445 VanDerWaalsContact C-N 3.28Å; P443-Q445 PolarHBondContact O-N 3.41Å; Q445-L447 PolarHBondContact O-N 3.08Å; Q445-L447 VanDerWaalsContact O-N 3.15Å; Q445-Q527 VanDerWaalsContact CG-OE1 3.28Å; Q445-Q527 VanDerWaalsContact NE2-CD 3.34Å | ||
| 446 | N | 73.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | trans | -62 | 115.6 | -178.1 | -174.7 | -17.2 | 0 | 0 | 0 | 111.5 | S448 D614 | N446-S448 VanDerWaalsContact C-N 3.31Å; N446-S448 VanDerWaalsContact CG-OG 3.3Å; N446-S448 PolarHBondContact ND2-OG 3.23Å; N446-S448 PolarHBondContact O-N 2.9Å; N446-S448 WeakPolarHBondContact OD1-CB 3.3Å; N446-S448 PolarHBondContact OD1-N 2.7Å; N446-S448 PolarHBondContact OD1-OG 3.49Å; N446-D614 PolarHBondContact ND2-OD2 3.48Å | ||
| 447 | L | 75.2 | Confident | 79.8 | Confident | 113 Ų | 113 | 57 Ų | 57 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -67.9 | -25.5 | -174.5 | -62.7 | 176.7 | 0 | 0 | 0 | 114 | R441 Q445 V449 W450 | R441-L447 VanDerWaalsContact NH2-CD2 3.29Å; Q445-L447 PolarHBondContact O-N 3.08Å; Q445-L447 VanDerWaalsContact O-N 3.15Å; L447-V449 VanDerWaalsContact C-N 3.27Å; L447-V449 PolarHBondContact O-N 2.92Å; L447-W450 PolarHBondContact O-N 3.34Å |
| 448 | S | 76 | Confident | 79 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -60.7 | -34.6 | -175.5 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | N446 W450 E451 | N446-S448 VanDerWaalsContact C-N 3.31Å; N446-S448 VanDerWaalsContact CG-OG 3.3Å; N446-S448 PolarHBondContact ND2-OG 3.23Å; N446-S448 PolarHBondContact O-N 2.9Å; N446-S448 WeakPolarHBondContact OD1-CB 3.3Å; N446-S448 PolarHBondContact OD1-N 2.7Å; N446-S448 PolarHBondContact OD1-OG 3.49Å; S448-W450 PolarHBondContact O-N 3.44Å; S448-E451 PolarHBondContact O-N 3.17Å |
| 449 | V | 79.1 | Confident | 78.2 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -63.9 | -28.2 | 177.8 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | L447 M530 L547 L612 V618 | L447-V449 VanDerWaalsContact C-N 3.27Å; L447-V449 PolarHBondContact O-N 2.92Å; V449-M530 HydrophobicContact CG1-CE 4.49Å; V449-M530 HydrophobicContact CG1-CG 3.85Å; V449-M530 HydrophobicContact CG1-SD 3.56Å; V449-M530 VanDerWaalsContact CG1-SD 3.56Å; V449-L547 WeakPolarHBondContact O-CD2 3.3Å; V449-L612 HydrophobicContact CG2-CD1 3.67Å; V449-V618 HydrophobicContact CG2-CG2 4.35Å |
| 450 | W | 82 | Confident | 77.4 | Confident | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -88.8 | -7.5 | -177.3 | -70 | 94.2 | 0 | 0 | 0 | 114.5 | V440 R441 L447 S448 N452 C453 I464 M530 V546 L547 | V440-W450 HydrophobicContact CG1-CH2 4.11Å; R441-W450 HydrophobicContact CB-CH2 4.13Å; R441-W450 HydrophobicContact CB-CZ2 3.66Å; R441-W450 HydrophobicContact CG-CZ2 3.86Å; L447-W450 PolarHBondContact O-N 3.34Å; S448-W450 PolarHBondContact O-N 3.44Å; W450-N452 PolarHBondContact O-N 3.23Å; W450-N452 VanDerWaalsContact O-N 3.16Å; W450-C453 HydrophobicContact CE3-CB 4.12Å; W450-C453 VanDerWaalsContact O-CB 3.28Å; W450-C453 WeakPolarHBondContact O-CB 3.3Å; W450-C453 PolarHBondContact O-N 2.89Å; W450-C453 VanDerWaalsContact O-N 3.09Å; W450-I464 HydrophobicContact CH2-CD1 3.69Å; W450-I464 HydrophobicContact CZ3-CD1 3.81Å; W450-M530 HydrophobicContact CD2-CE 4.14Å; W450-M530 HydrophobicContact CE3-CE 4.25Å; W450-M530 HydrophobicContact CH2-CE 3.79Å; W450-M530 HydrophobicContact CZ2-CE 3.66Å; W450-M530 HydrophobicContact CZ3-CE 4.09Å; W450-V546 HydrophobicContact CH2-CG1 3.79Å; W450-V546 HydrophobicContact CZ3-CG1 3.83Å; W450-L547 HydrophobicContact CE3-CD2 4.39Å |
| 451 | E | 77 | Confident | 76.8 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.3 | -176.4 | -69.7 | -176.8 | -172.9 | 0 | 0 | 113.5 | S448 | S448-E451 PolarHBondContact O-N 3.17Š|
| 452 | N | 74.4 | Confident | 76.3 | Confident | 122 Ų | 122 | 68.8 Ų | 68.8 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.7 | -179.9 | -64.7 | -58.5 | 0 | 0 | 0 | 114.2 | W450 Q454 | W450-N452 PolarHBondContact O-N 3.23Å; W450-N452 VanDerWaalsContact O-N 3.16Å; N452-Q454 PolarHBondContact O-N 3.37Å |
| 453 | C | 81.2 | Confident | 76.3 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | trans | -68 | 124.5 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | W450 A459 L547 | W450-C453 HydrophobicContact CE3-CB 4.12Å; W450-C453 VanDerWaalsContact O-CB 3.28Å; W450-C453 WeakPolarHBondContact O-CB 3.3Å; W450-C453 PolarHBondContact O-N 2.89Å; W450-C453 VanDerWaalsContact O-N 3.09Å; C453-A459 HydrophobicContact CB-CB 4.04Å; C453-L547 HydrophobicContact CB-CD2 3.66Å | ||
| 454 | Q | 78.9 | Confident | 77 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -71.2 | -40.3 | -177.2 | -68.4 | -167.5 | 45.8 | 0 | 0 | 113.1 | N452 R456 L547 | N452-Q454 PolarHBondContact O-N 3.37Å; Q454-R456 PolarHBondContact O-N 2.65Å; Q454-L547 WeakPolarHBondContact CG-O 3.34Å; Q454-L547 PolarHBondContact N-O 3.05Å |
| 455 | D | 77.5 | Confident | 78.1 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 30% | 0.297 | C | S | . | . | trans | -73.4 | 114.2 | 173 | -171.3 | -9.7 | 0 | 0 | 0 | 110.5 | N457 F458 A459 | D455-N457 PolarHBondContact O-N 2.81Å; D455-N457 WeakPolarHBondContact OD1-CB 3.45Å; D455-N457 PolarHBondContact OD1-N 3.1Å; D455-N457 PolarHBondContact OD1-ND2 3.29Å; D455-F458 HydrophobicContact CB-CB 4.29Å; D455-F458 HydrophobicContact CB-CD2 3.68Å; D455-F458 HydrophobicContact CB-CE2 4.43Å; D455-F458 HydrophobicContact CB-CG 4.34Å; D455-F458 PolarHBondContact O-N 3.44Å; D455-F458 VanDerWaalsContact OD2-CD2 3.23Å; D455-F458 WeakPolarHBondContact OD2-CD2 3.22Å; D455-F458 VanDerWaalsContact OD2-CE2 3.32Å; D455-F458 WeakPolarHBondContact OD2-CE2 3.26Å; D455-A459 WeakPolarHBondContact O-CB 3.37Å; D455-A459 PolarHBondContact O-N 3.26Å | ||
| 456 | R | 73 | Confident | 78.9 | Confident | 189 Ų | 189 | 60.8 Ų | 60.8 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.7 | 179.6 | -64.1 | 179.8 | 172.9 | -164.7 | -5.1 | 113.8 | Q454 R460 | Q454-R456 PolarHBondContact O-N 2.65Å; R456-R460 WeakPolarHBondContact O-CB 3.23Å; R456-R460 WeakPolarHBondContact O-CD 3.2Å; R456-R460 WeakPolarHBondContact O-CG 3.5Å |
| 457 | N | 72.6 | Confident | 79.8 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -54.4 | 172.6 | -53.4 | -50.8 | 0 | 0 | 0 | 109.2 | D455 A459 R460 A461 | D455-N457 PolarHBondContact O-N 2.81Å; D455-N457 WeakPolarHBondContact OD1-CB 3.45Å; D455-N457 PolarHBondContact OD1-N 3.1Å; D455-N457 PolarHBondContact OD1-ND2 3.29Å; N457-A459 PolarHBondContact O-N 2.97Å; N457-R460 CarbonylContact O-C 3.56Å; N457-R460 WeakPolarHBondContact O-CA 3.33Å; N457-R460 PolarHBondContact O-N 2.91Å; N457-A461 PolarHBondContact O-N 3.3Å |
| 458 | F | 77.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -62.5 | -38.2 | 176.8 | -64.5 | -40.2 | 0 | 0 | 0 | 112.9 | R441 D455 R460 A461 I464 M476 T509 | R441-F458 PolarHBondContact NH1-O 3.23Å; D455-F458 HydrophobicContact CB-CB 4.29Å; D455-F458 HydrophobicContact CB-CD2 3.68Å; D455-F458 HydrophobicContact CB-CE2 4.43Å; D455-F458 HydrophobicContact CB-CG 4.34Å; D455-F458 PolarHBondContact O-N 3.44Å; D455-F458 VanDerWaalsContact OD2-CD2 3.23Å; D455-F458 WeakPolarHBondContact OD2-CD2 3.22Å; D455-F458 VanDerWaalsContact OD2-CE2 3.32Å; D455-F458 WeakPolarHBondContact OD2-CE2 3.26Å; F458-R460 PolarHBondContact O-N 3.46Å; F458-R460 VanDerWaalsContact O-N 3.14Å; F458-A461 PolarHBondContact O-N 3.37Å; F458-I464 HydrophobicContact CB-CD1 3.61Å; F458-I464 HydrophobicContact CD1-CD1 3.73Å; F458-I464 HydrophobicContact CD1-CG1 3.97Å; F458-I464 HydrophobicContact CD1-CG2 4.12Å; F458-I464 HydrophobicContact CE1-CG2 4.21Å; F458-I464 HydrophobicContact CG-CD1 3.95Å; F458-M476 HydrophobicContact CD2-CE 3.76Å; F458-M476 HydrophobicContact CE1-CB 4.06Å; F458-M476 HydrophobicContact CE1-CE 4.25Å; F458-M476 HydrophobicContact CE2-CE 3.34Å; F458-M476 HydrophobicContact CG-CE 4.41Å; F458-M476 HydrophobicContact CZ-CB 3.74Å; F458-M476 HydrophobicContact CZ-CE 3.63Å; F458-T509 WeakPolarHBondContact CZ-OG1 3.46Å |
| 459 | A | 78 | Confident | 81.3 | Confident | 34 Ų | 34 | 51 Ų | 51 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -57 | -28.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R441 C453 D455 N457 | R441-A459 VanDerWaalsContact NH1-C 3.28Å; R441-A459 PolarHBondContact NH1-O 2.88Å; C453-A459 HydrophobicContact CB-CB 4.04Å; D455-A459 WeakPolarHBondContact O-CB 3.37Å; D455-A459 PolarHBondContact O-N 3.26Å; N457-A459 PolarHBondContact O-N 2.97Å |
| 460 | R | 75 | Confident | 81.8 | Confident | 185 Ų | 185 | 55.1 Ų | 55.1 | 70% | 0.698 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -103.9 | -8 | -177.4 | -69.4 | 176.7 | 178.2 | 178.6 | -5.3 | 115.2 | R456 N457 F458 | R456-R460 WeakPolarHBondContact O-CB 3.23Å; R456-R460 WeakPolarHBondContact O-CD 3.2Å; R456-R460 WeakPolarHBondContact O-CG 3.5Å; N457-R460 CarbonylContact O-C 3.56Å; N457-R460 WeakPolarHBondContact O-CA 3.33Å; N457-R460 PolarHBondContact O-N 2.91Å; F458-R460 PolarHBondContact O-N 3.46Å; F458-R460 VanDerWaalsContact O-N 3.14Å |
| 461 | A | 78.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 139.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | R441 N457 F458 S463 I464 K479 | R441-A461 WeakPolarHBondContact CD-O 3.21Å; R441-A461 PolarHBondContact NE-O 2.93Å; R441-A461 VanDerWaalsContact NE-O 3.13Å; R441-A461 PolarHBondContact NH1-O 3.46Å; N457-A461 PolarHBondContact O-N 3.3Å; F458-A461 PolarHBondContact O-N 3.37Å; A461-S463 WeakPolarHBondContact CB-O 3.37Å; A461-I464 HydrophobicContact CB-CD1 4.33Å; A461-I464 HydrophobicContact CB-CG1 3.76Å; A461-K479 CarbonylContact C-O 3.56Å; A461-K479 VanDerWaalsContact CA-O 3.31Å; A461-K479 WeakPolarHBondContact CA-O 3.32Å |
| 462 | E | 75.9 | Confident | 81.8 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -28.7 | 171.2 | -70 | -178.4 | 145.8 | 0 | 0 | 111.1 | W442 K479 A481 | W442-E462 CarbonylContact C-O 3.32Å; E462-K479 PolarHBondContact N-O 3.37Å; E462-A481 VanDerWaalsContact CD-CB 3.44Å; E462-A481 HydrophobicContact CG-CB 3.72Å; E462-A481 WeakPolarHBondContact OE1-CB 3.38Å |
| 463 | S | 80.7 | Confident | 82.3 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.6 | 170.8 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | Y393 R441 A461 K479 | Y393-S463 WeakPolarHBondContact OH-CB 3.41Å; R441-S463 VanDerWaalsContact O-CA 3.23Å; R441-S463 WeakPolarHBondContact O-CA 3.42Å; R441-S463 WeakPolarHBondContact O-CB 3.22Å; A461-S463 WeakPolarHBondContact CB-O 3.37Å; S463-K479 PolarHBondContact O-N 3.42Å |
| 464 | I | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.3 | 174.9 | -55.5 | 167.6 | 0 | 0 | 0 | 107 | V440 R441 W450 F458 A461 M476 F477 | V440-I464 HydrophobicContact CB-CB 4.13Å; V440-I464 HydrophobicContact CB-CG2 3.98Å; V440-I464 HydrophobicContact CG1-CG2 4.37Å; V440-I464 PolarHBondContact N-O 3.1Å; R441-I464 HydrophobicContact CB-CB 3.79Å; R441-I464 HydrophobicContact CB-CD1 3.86Å; R441-I464 HydrophobicContact CB-CG1 3.79Å; R441-I464 PolarHBondContact N-O 3.15Å; R441-I464 PolarHBondContact O-N 3.1Å; W450-I464 HydrophobicContact CH2-CD1 3.69Å; W450-I464 HydrophobicContact CZ3-CD1 3.81Å; F458-I464 HydrophobicContact CB-CD1 3.61Å; F458-I464 HydrophobicContact CD1-CD1 3.73Å; F458-I464 HydrophobicContact CD1-CG1 3.97Å; F458-I464 HydrophobicContact CD1-CG2 4.12Å; F458-I464 HydrophobicContact CE1-CG2 4.21Å; F458-I464 HydrophobicContact CG-CD1 3.95Å; A461-I464 HydrophobicContact CB-CD1 4.33Å; A461-I464 HydrophobicContact CB-CG1 3.76Å; I464-M476 HydrophobicContact CG2-CB 4.24Å; I464-M476 HydrophobicContact CG2-SD 4.4Å; I464-F477 VanDerWaalsContact CA-O 3.3Å; I464-F477 WeakPolarHBondContact CA-O 3.37Å |
| 465 | V | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.4 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | L403 F428 L437 E438 V467 M476 F477 | L403-V465 HydrophobicContact CD1-CG1 4.08Å; L403-V465 HydrophobicContact CD1-CG2 3.67Å; F428-V465 HydrophobicContact CE2-CB 4.11Å; F428-V465 HydrophobicContact CE2-CG2 3.97Å; L437-V465 HydrophobicContact CB-CG1 4.16Å; E438-V465 WeakPolarHBondContact O-CA 3.45Å; V465-V467 HydrophobicContact CG1-CG2 4.03Å; V465-M476 WeakPolarHBondContact O-CA 3.26Å; V465-F477 PolarHBondContact N-O 3.38Å; V465-F477 PolarHBondContact O-N 2.98Å |
| 466 | A | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L437 E438 V440 Y475 M476 L523 L532 | L437-A466 CarbonylContact C-O 3.59Å; L437-A466 WeakPolarHBondContact CA-O 3.48Å; L437-A466 WeakPolarHBondContact CB-O 3.47Å; E438-A466 PolarHBondContact N-O 3.15Å; E438-A466 PolarHBondContact O-N 2.72Å; V440-A466 HydrophobicContact CG2-CB 3.79Å; A466-Y475 CarbonylContact C-O 3.56Å; A466-Y475 WeakPolarHBondContact CA-O 3.44Å; A466-M476 HydrophobicContact CB-CG 4.25Å; A466-L523 HydrophobicContact CB-CD1 4.26Å; A466-L532 HydrophobicContact CB-CD1 4.19Å; A466-L532 HydrophobicContact CB-CD2 3.75Å |
| 467 | V | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128.2 | -176.2 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | V414 V430 I434 L437 V465 V474 Y475 F477 | V414-V467 HydrophobicContact CG2-CG2 4.01Å; V430-V467 HydrophobicContact CG1-CG1 4.4Å; V430-V467 HydrophobicContact CG2-CG1 4.27Å; I434-V467 HydrophobicContact CB-CG1 4.24Å; I434-V467 HydrophobicContact CD1-CG1 4.35Å; I434-V467 HydrophobicContact CG1-CG1 3.88Å; I434-V467 HydrophobicContact CG2-CG1 3.49Å; I434-V467 VanDerWaalsContact CG2-CG1 3.49Å; L437-V467 HydrophobicContact CB-CG2 4.28Å; V465-V467 HydrophobicContact CG1-CG2 4.03Å; V467-V474 CarbonylContact O-C 3.59Å; V467-V474 WeakPolarHBondContact O-CA 3.27Å; V467-Y475 PolarHBondContact N-O 2.83Å; V467-Y475 PolarHBondContact O-N 3.38Å; V467-F477 HydrophobicContact CB-CD2 4.43Å; V467-F477 HydrophobicContact CB-CE2 4.28Å; V467-F477 HydrophobicContact CG2-CD2 3.84Å; V467-F477 HydrophobicContact CG2-CE2 4.09Å |
| 468 | S | 92.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 154 | 170.6 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | I434 V435 C436 H473 C520 | I434-S468 WeakPolarHBondContact CA-O 3.35Å; V435-S468 PolarHBondContact N-O 2.88Å; C436-S468 PolarHBondContact N-OG 3.08Å; C436-S468 PolarHBondContact O-N 3.16Å; C436-S468 PolarHBondContact SG-OG 2.92Å; S468-H473 WeakPolarHBondContact CA-O 3.33Å; S468-C520 WeakPolarHBondContact CB-O 3.38Å; S468-C520 PolarHBondContact OG-O 2.85Å |
| 469 | T | 90.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 164.1 | -178.4 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | V430 E432 E433 Q471 G472 H473 Y475 | V430-T469 HydrophobicContact CG1-CG2 4.22Å; E432-T469 HydrophobicContact CB-CG2 3.91Å; E432-T469 WeakPolarHBondContact OE2-CB 3.34Å; E432-T469 PolarHBondContact OE2-OG1 2.93Å; E433-T469 CarbonylContact O-C 3.51Å; E433-T469 WeakPolarHBondContact O-CA 3.36Å; E433-T469 WeakPolarHBondContact O-CB 3.42Å; T469-Q471 PolarHBondContact O-N 3.32Å; T469-Q471 PolarHBondContact OG1-N 2.92Å; T469-G472 PolarHBondContact O-N 3.01Å; T469-G472 VanDerWaalsContact O-N 3.13Å; T469-H473 HydrophobicContact CG2-CB 4.4Å; T469-H473 PolarHBondContact N-O 3Å; T469-H473 PolarHBondContact OG1-N 3.42Å; T469-Y475 HydrophobicContact CG2-CD2 3.97Å; T469-Y475 HydrophobicContact CG2-CE2 3.8Å |
| 470 | M | 87.9 | Confident | 83.5 | Confident | 97 Ų | 97 | 30.8 Ų | 30.8 | 48% | 0.478 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14 | 174.6 | -78.6 | -63.1 | -61.3 | 0 | 0 | 114.3 | E433 V435 | E433-M470 HydrophobicContact CB-CB 4.2Å; E433-M470 HydrophobicContact CB-CG 3.87Å; E433-M470 PolarHBondContact O-N 2.73Å; V435-M470 HydrophobicContact CG2-CB 4.37Å; V435-M470 HydrophobicContact CG2-CG 3.68Å; V435-M470 HydrophobicContact CG2-SD 3.45Å; V435-M470 WeakPolarHBondContact CG2-SD 3.48Å |
| 471 | Q | 83 | Confident | 82.2 | Confident | 92 Ų | 92 | 24 Ų | 24 | 43% | 0.43 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.9 | 176.9 | -56.2 | -176.2 | 9.5 | 0 | 0 | 112.6 | E432 T469 | E432-Q471 HydrophobicContact CG-CG 4.44Å; E432-Q471 WeakPolarHBondContact OE2-CB 3.39Å; T469-Q471 PolarHBondContact O-N 3.32Å; T469-Q471 PolarHBondContact OG1-N 2.92Å |
| 472 | G | 76.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 104.8 | -10.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T469 S518 | T469-G472 PolarHBondContact O-N 3.01Å; T469-G472 VanDerWaalsContact O-N 3.13Å; G472-S518 WeakPolarHBondContact CA-O 3.49Å; G472-S518 PolarHBondContact N-O 3.36Å |
| 473 | H | 84.8 | Confident | 78.3 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | trans | -63.4 | 146.7 | 177 | -53.6 | 117.3 | 0 | 0 | 0 | 111.4 | E432 S468 T469 Y475 E510 V512 | E432-H473 IonicContact OE1-CE1 2.88Å; E432-H473 PolarHBondContact OE1-CE1 2.89Å; E432-H473 IonicContact OE1-CG 3.65Å; E432-H473 IonicContact OE1-ND1 2.69Å; E432-H473 PolarHBondContact OE1-ND1 3.22Å; E432-H473 IonicContact OE2-CE1 2.68Å; E432-H473 IonicContact OE2-CG 3.38Å; E432-H473 IonicContact OE2-ND1 2.67Å; E432-H473 PolarHBondContact OE2-ND1 3.05Å; S468-H473 WeakPolarHBondContact CA-O 3.33Å; T469-H473 HydrophobicContact CG2-CB 4.4Å; T469-H473 PolarHBondContact N-O 3Å; T469-H473 PolarHBondContact OG1-N 3.42Å; H473-Y475 HydrophobicContact CB-CD2 4.38Å; H473-Y475 HydrophobicContact CB-CE1 4.45Å; H473-Y475 HydrophobicContact CB-CE2 3.71Å; H473-E510 IonicContact CD2-OE1 2.73Å; H473-V512 WeakPolarHBondContact CA-O 3.4Å | ||
| 474 | V | 88.5 | Confident | 76 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117 | 169.5 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | V467 L511 V512 C520 L523 L534 | V467-V474 CarbonylContact O-C 3.59Å; V467-V474 WeakPolarHBondContact O-CA 3.27Å; V474-L511 WeakPolarHBondContact O-CB 3.29Å; V474-L511 PolarHBondContact O-N 3.45Å; V474-V512 HydrophobicContact CB-CB 4.3Å; V474-V512 HydrophobicContact CB-CG2 4.35Å; V474-V512 HydrophobicContact CG2-CB 4.47Å; V474-C520 HydrophobicContact CG2-CB 3.76Å; V474-L523 HydrophobicContact CG1-CD2 4.32Å; V474-L534 HydrophobicContact CB-CD2 4.08Å; V474-L534 HydrophobicContact CG1-CD2 4.09Å; V474-L534 HydrophobicContact CG2-CD2 3.9Å |
| 475 | Y | 88.3 | Confident | 73.2 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139 | -177.1 | -61.7 | -67.3 | 0 | 0 | 0 | 110.9 | V430 P431 E432 A466 V467 T469 H473 F477 W508 T509 E510 | V430-Y475 HydrophobicContact CG1-CD2 4.38Å; P431-Y475 HydrophobicContact CG-CE2 3.91Å; E432-Y475 PolarHBondContact OE1-OH 3.4Å; A466-Y475 CarbonylContact C-O 3.56Å; A466-Y475 WeakPolarHBondContact CA-O 3.44Å; V467-Y475 PolarHBondContact N-O 2.83Å; V467-Y475 PolarHBondContact O-N 3.38Å; T469-Y475 HydrophobicContact CG2-CD2 3.97Å; T469-Y475 HydrophobicContact CG2-CE2 3.8Å; H473-Y475 HydrophobicContact CB-CD2 4.38Å; H473-Y475 HydrophobicContact CB-CE1 4.45Å; H473-Y475 HydrophobicContact CB-CE2 3.71Å; Y475-F477 HydrophobicContact CD2-CE2 4.49Å; Y475-F477 HydrophobicContact CG-CE2 4.25Å; Y475-W508 HydrophobicContact CD1-CD2 4.34Å; Y475-W508 AromaticContact CD1-CE3 3.68Å; Y475-W508 HydrophobicContact CD1-CE3 3.68Å; Y475-W508 HydrophobicContact CD1-CZ3 4.05Å; Y475-W508 AromaticContact CE1-CE3 3.81Å; Y475-W508 HydrophobicContact CE1-CE3 3.81Å; Y475-W508 HydrophobicContact CE1-CH2 4.34Å; Y475-W508 AromaticContact CE1-CZ3 3.69Å; Y475-W508 HydrophobicContact CE1-CZ3 3.69Å; Y475-T509 WeakPolarHBondContact CA-O 3.48Å; Y475-E510 HydrophobicContact CD1-CB 3.84Å; Y475-E510 HydrophobicContact CD1-CG 4.01Å; Y475-E510 HydrophobicContact CE1-CB 3.78Å; Y475-E510 HydrophobicContact CE1-CG 3.62Å |
| 476 | M | 88.2 | Confident | 70.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.7 | 163.4 | -66.1 | -157.6 | -45.5 | 0 | 0 | 110.5 | V440 F458 I464 V465 A466 W508 T509 L511 L532 Y544 V546 | V440-M476 HydrophobicContact CG2-SD 4.33Å; F458-M476 HydrophobicContact CD2-CE 3.76Å; F458-M476 HydrophobicContact CE1-CB 4.06Å; F458-M476 HydrophobicContact CE1-CE 4.25Å; F458-M476 HydrophobicContact CE2-CE 3.34Å; F458-M476 HydrophobicContact CG-CE 4.41Å; F458-M476 HydrophobicContact CZ-CB 3.74Å; F458-M476 HydrophobicContact CZ-CE 3.63Å; I464-M476 HydrophobicContact CG2-CB 4.24Å; I464-M476 HydrophobicContact CG2-SD 4.4Å; V465-M476 WeakPolarHBondContact O-CA 3.26Å; A466-M476 HydrophobicContact CB-CG 4.25Å; M476-W508 VanDerWaalsContact O-CA 3.28Å; M476-W508 WeakPolarHBondContact O-CA 3.14Å; M476-T509 PolarHBondContact N-O 3.43Å; M476-T509 PolarHBondContact O-N 2.99Å; M476-L511 HydrophobicContact CE-CD2 4.23Å; M476-L511 HydrophobicContact CG-CD1 3.75Å; M476-L511 HydrophobicContact CG-CD2 4.33Å; M476-L511 HydrophobicContact CG-CG 4.05Å; M476-L511 HydrophobicContact SD-CD1 4.01Å; M476-L532 HydrophobicContact SD-CD2 4.46Å; M476-Y544 HydrophobicContact CE-CE1 4.03Å; M476-Y544 HydrophobicContact SD-CE1 4.39Å; M476-V546 HydrophobicContact CE-CG1 4.35Å |
| 477 | F | 85.7 | Confident | 67.6 | Low | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123 | 176.3 | -69.9 | -94.9 | 0 | 0 | 0 | 110.4 | F428 V430 I464 V465 V467 Y475 N506 W508 | F428-F477 HydrophobicContact CB-CB 4.44Å; F428-F477 HydrophobicContact CB-CD1 3.82Å; F428-F477 HydrophobicContact CB-CE1 4.27Å; F428-F477 HydrophobicContact CB-CG 4.14Å; F428-F477 HydrophobicContact CD1-CB 3.8Å; F428-F477 HydrophobicContact CD1-CD1 4.05Å; F428-F477 HydrophobicContact CD1-CG 4.27Å; F428-F477 HydrophobicContact CD2-CB 3.69Å; F428-F477 HydrophobicContact CD2-CG 4.19Å; F428-F477 HydrophobicContact CE1-CB 3.85Å; F428-F477 HydrophobicContact CE2-CB 3.75Å; F428-F477 HydrophobicContact CG-CB 3.71Å; F428-F477 AromaticContact CG-CD1 3.93Å; F428-F477 HydrophobicContact CG-CD1 3.93Å; F428-F477 AromaticContact CG-CG 3.95Å; F428-F477 HydrophobicContact CG-CG 3.95Å; F428-F477 HydrophobicContact CZ-CB 3.82Å; V430-F477 HydrophobicContact CB-CZ 4.34Å; V430-F477 HydrophobicContact CG1-CE2 4.43Å; V430-F477 HydrophobicContact CG1-CZ 4.34Å; V430-F477 HydrophobicContact CG2-CE2 3.92Å; V430-F477 HydrophobicContact CG2-CZ 3.9Å; I464-F477 VanDerWaalsContact CA-O 3.3Å; I464-F477 WeakPolarHBondContact CA-O 3.37Å; V465-F477 PolarHBondContact N-O 3.38Å; V465-F477 PolarHBondContact O-N 2.98Å; V467-F477 HydrophobicContact CB-CD2 4.43Å; V467-F477 HydrophobicContact CB-CE2 4.28Å; V467-F477 HydrophobicContact CG2-CD2 3.84Å; V467-F477 HydrophobicContact CG2-CE2 4.09Å; Y475-F477 HydrophobicContact CD2-CE2 4.49Å; Y475-F477 HydrophobicContact CG-CE2 4.25Å; F477-N506 HydrophobicContact CD1-CB 4.28Å; F477-N506 HydrophobicContact CE1-CB 4.45Å; F477-W508 HydrophobicContact CD1-CB 3.8Å; F477-W508 HydrophobicContact CE1-CB 3.77Å; F477-W508 AromaticContact CE1-CD1 3.87Å; F477-W508 HydrophobicContact CE1-CG 4.07Å; F477-W508 HydrophobicContact CG-CB 4.23Å; F477-W508 HydrophobicContact CZ-CB 4.18Å; F477-W508 HydrophobicContact CZ-CG 4.48Å |
| 478 | G | 81.4 | Confident | 64.9 | Low | 7 Ų | 7 | 71.8 Ų | 71.8 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T507 | G478-T507 PolarHBondContact N-O 3.17Å; G478-T507 VanDerWaalsContact N-O 3.09Å; G478-T507 PolarHBondContact O-OG1 3.02Å |
| 479 | K | 73.7 | Confident | 62 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.9 | 172.6 | -161.5 | 162.8 | -176.6 | 165.2 | 0 | 110.4 | F428 A461 E462 S463 | F428-K479 HydrophobicContact CE1-CB 3.95Å; F428-K479 HydrophobicContact CZ-CB 3.98Å; A461-K479 CarbonylContact C-O 3.56Å; A461-K479 VanDerWaalsContact CA-O 3.31Å; A461-K479 WeakPolarHBondContact CA-O 3.32Å; E462-K479 PolarHBondContact N-O 3.37Å; S463-K479 PolarHBondContact O-N 3.42Å |
| 480 | A | 58.5 | Low | 59.3 | Low | 59 Ų | 59 | 88.5 Ų | 88.5 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 145.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y482 | A480-Y482 PolarHBondContact O-N 2.72Å |
| 481 | A | 46.8 | Very low | 56.9 | Low | 44 Ų | 44 | 95.8 Ų | 95.8 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -57.2 | 120.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E462 | E462-A481 VanDerWaalsContact CD-CB 3.44Å; E462-A481 HydrophobicContact CG-CB 3.72Å; E462-A481 WeakPolarHBondContact OE1-CB 3.38Å | ||
| 482 | Y | 41.5 | Very low | 54.6 | Low | 171 Ų | 171 | 94.1 Ų | 94.1 | 67% | 0.671 | 46% | 0.457 | S | S | * | . | trans | -94.4 | 109.4 | 162.8 | -92.2 | -93.2 | 0 | 0 | 0 | 109 | A480 H484 | A480-Y482 PolarHBondContact O-N 2.72Å; Y482-H484 VanDerWaalsContact C-N 3.29Å; Y482-H484 PolarHBondContact O-N 2.92Å | ||
| 483 | N | 30.5 | Very low | 52.9 | Low | 165 Ų | 165 | 95.6 Ų | 95.6 | 88% | 0.882 | 47% | 0.467 | S | S | * | . | trans | -65.7 | 82.8 | 176.1 | -80 | -22.3 | 0 | 0 | 0 | 111.7 | ||||
| 484 | H | 33.9 | Very low | 50.8 | Low | 144 Ų | 144 | 99.1 Ų | 99.1 | 67% | 0.667 | 48% | 0.482 | S | S | * | . | trans | -106 | 132.5 | 162.5 | -90.7 | -84.4 | 0 | 0 | 0 | 110 | Y482 L486 | Y482-H484 VanDerWaalsContact C-N 3.29Å; Y482-H484 PolarHBondContact O-N 2.92Å; H484-L486 PolarHBondContact O-N 3.44Å; H484-L486 VanDerWaalsContact O-N 3.13Å | ||
| 485 | E | 26.8 | Very low | 48.4 | Very low | 199 Ų | 199 | 99.9 Ų | 99.9 | 93% | 0.93 | 49% | 0.485 | S | S | * | . | trans | -66.3 | 112.7 | 179.8 | -63.7 | -172.9 | 129.3 | 0 | 0 | 110.7 | S487 | E485-S487 PolarHBondContact O-N 3.18Š| ||
| 486 | L | 35 | Very low | 45.9 | Very low | 138 Ų | 138 | 103 Ų | 103 | 72% | 0.723 | 51% | 0.509 | S | S | * | . | trans | -57.7 | 103.9 | 173.6 | -91.6 | 149.2 | 0 | 0 | 0 | 110.7 | H484 K488 | H484-L486 PolarHBondContact O-N 3.44Å; H484-L486 VanDerWaalsContact O-N 3.13Å; L486-K488 PolarHBondContact O-N 2.93Å | ||
| 487 | S | 33 | Very low | 43.3 | Very low | 84 Ų | 84 | 107.4 Ų | 107.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | trans | -61.6 | 129.8 | 174.3 | 88.4 | 0 | 0 | 0 | 0 | 109.3 | E485 N489 | E485-S487 PolarHBondContact O-N 3.18Å; S487-N489 PolarHBondContact O-N 3.37Å | ||
| 488 | K | 34.9 | Very low | 40.9 | Very low | 207 Ų | 207 | 110.3 Ų | 110.3 | 90% | 0.9 | 56% | 0.556 | S | S | * | * | trans | -78.1 | 31 | -168.6 | -66.5 | -177.2 | 177.6 | 174.3 | 0 | 114.7 | L486 | L486-K488 PolarHBondContact O-N 2.93Š| ||
| 489 | N | 32.5 | Very low | 38.4 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | trans | -88.6 | 130.5 | 173.2 | -85.4 | -15.7 | 0 | 0 | 0 | 111 | S487 | S487-N489 PolarHBondContact O-N 3.37Š| ||
| 490 | R | 34.7 | Very low | 36.3 | Very low | 216 Ų | 216 | 119.6 Ų | 119.6 | 82% | 0.815 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 139 | -178.9 | -69.8 | 173.7 | 162.6 | -173.6 | -9.5 | 111 | ||
| 491 | R | 37.4 | Very low | 35 | Very low | 251 Ų | 251 | 122.7 Ų | 122.7 | 95% | 0.947 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 38.1 | 174.4 | -59.5 | -178.3 | 170.3 | 174.5 | -5.6 | 116.6 | ||
| 492 | S | 33.4 | Very low | 34.3 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | trans | -78.5 | 130.6 | 142.1 | 41.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 493 | S | 40.9 | Very low | 34.2 | Very low | 31 Ų | 31 | 128.9 Ų | 128.9 | 22% | 0.217 | 67% | 0.667 | C | S | . | * | trans | -71 | 150.1 | 168.5 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | D418 W495 S496 | D418-S493 WeakPolarHBondContact OD2-CB 3.44Å; S493-W495 PolarHBondContact O-N 2.96Å; S493-S496 PolarHBondContact O-N 2.97Å; S493-S496 PolarHBondContact O-OG 2.82Å | ||
| 494 | F | 40.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 44% | 0.443 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.2 | -29.8 | -179.1 | 176.3 | -91.9 | 0 | 0 | 0 | 112.3 | M395 P443 | M395-F494 HydrophobicContact CE-CB 3.59Å; M395-F494 HydrophobicContact CE-CD1 3.44Å; M395-F494 VanDerWaalsContact CE-CD1 3.44Å; M395-F494 HydrophobicContact CE-CE1 4.3Å; M395-F494 HydrophobicContact CE-CG 3.72Å; P443-F494 HydrophobicContact CB-CZ 4.47Å; P443-F494 HydrophobicContact CG-CE1 4.26Å; P443-F494 HydrophobicContact CG-CZ 4.01Å |
| 495 | W | 38.5 | Very low | 35.4 | Very low | 16 Ų | 16 | 126.7 Ų | 126.7 | 6% | 0.061 | 66% | 0.656 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -18.4 | 178.1 | -55.6 | 114.5 | 0 | 0 | 0 | 115.2 | Y393 M395 A416 V425 L427 S493 V497 | Y393-W495 HydrophobicContact CE1-CH2 4.31Å; Y393-W495 HydrophobicContact CE1-CZ2 4.11Å; M395-W495 HydrophobicContact CE-CD2 4.33Å; M395-W495 VanDerWaalsContact CE-CE2 3.45Å; M395-W495 HydrophobicContact CE-CZ2 3.62Å; M395-W495 HydrophobicContact SD-CZ2 4.09Å; M395-W495 PolarHBondContact SD-NE1 3.04Å; A416-W495 HydrophobicContact CB-CH2 3.89Å; A416-W495 HydrophobicContact CB-CZ2 3.65Å; A416-W495 HydrophobicContact CB-CZ3 4.45Å; V425-W495 HydrophobicContact CG2-CB 3.92Å; L427-W495 HydrophobicContact CD2-CE3 4.43Å; L427-W495 HydrophobicContact CD2-CH2 3.89Å; L427-W495 HydrophobicContact CD2-CZ3 3.59Å; S493-W495 PolarHBondContact O-N 2.96Å; W495-V497 PolarHBondContact O-N 3.02Å |
| 496 | S | 35.2 | Very low | 36.8 | Very low | 76 Ų | 76 | 120 Ų | 120 | 53% | 0.531 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | 18.8 | -169.8 | 87.4 | 0 | 0 | 0 | 0 | 115.2 | S493 | S493-S496 PolarHBondContact O-N 2.97Å; S493-S496 PolarHBondContact O-OG 2.82Å |
| 497 | V | 34.1 | Very low | 38 | Very low | 91 Ų | 91 | 117 Ų | 117 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | -17.9 | -171.6 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | W495 V499 | W495-V497 PolarHBondContact O-N 3.02Å; V497-V499 PolarHBondContact O-N 3.06Å |
| 498 | S | 34.5 | Very low | 39.7 | Very low | 63 Ų | 63 | 118.7 Ų | 118.7 | 44% | 0.441 | 61% | 0.608 | S | S | . | * | trans | -99.9 | 55.3 | -175.9 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 499 | V | 29.7 | Very low | 41.5 | Very low | 139 Ų | 139 | 111 Ų | 111 | 84% | 0.842 | 58% | 0.578 | S | S | * | * | trans | -121.7 | 68.6 | 165.9 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | V497 | V497-V499 PolarHBondContact O-N 3.06Š| ||
| 500 | T | 30.2 | Very low | 43.6 | Very low | 126 Ų | 126 | 108.1 Ų | 108.1 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | trans | -126.4 | 128.8 | 163.8 | 51.5 | 0 | 0 | 0 | 0 | 109 | N502 | T500-N502 PolarHBondContact O-N 2.87Š| ||
| 501 | S | 30.3 | Very low | 45.4 | Very low | 124 Ų | 124 | 98.8 Ų | 98.8 | 87% | 0.867 | 53% | 0.526 | S | S | * | . | trans | -73.3 | 99.6 | -170.7 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 502 | N | 32.5 | Very low | 46.8 | Very low | 150 Ų | 150 | 87.3 Ų | 87.3 | 80% | 0.802 | 48% | 0.484 | S | S | * | . | trans | -146.6 | 137.2 | 156.9 | -105.6 | -46.1 | 0 | 0 | 0 | 110 | T500 S504 | T500-N502 PolarHBondContact O-N 2.87Å; N502-S504 PolarHBondContact O-N 3.17Å | ||
| 503 | Q | 38.6 | Very low | 48.1 | Very low | 196 Ų | 196 | 90.8 Ų | 90.8 | 92% | 0.916 | 50% | 0.498 | S | S | * | . | trans | -74 | 76.5 | 173.1 | -68.6 | 174.5 | -21.5 | 0 | 0 | 109.6 | K505 | Q503-K505 PolarHBondContact O-N 2.74Š| ||
| 504 | S | 43.8 | Very low | 48.9 | Very low | 67 Ų | 67 | 92.1 Ų | 92.1 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | trans | -61.2 | 107 | 163.5 | 54.5 | 0 | 0 | 0 | 0 | 107.5 | N502 N506 | N502-S504 PolarHBondContact O-N 3.17Å; S504-N506 PolarHBondContact O-N 3.27Å | ||
| 505 | K | 46.8 | Very low | 49.6 | Very low | 196 Ų | 196 | 93.5 Ų | 93.5 | 85% | 0.852 | 51% | 0.513 | S | S | * | . | trans | -54 | 116.7 | 178.5 | -72.5 | -170.8 | 172.9 | -167 | 0 | 109.2 | Q503 T507 | Q503-K505 PolarHBondContact O-N 2.74Å; K505-T507 PolarHBondContact O-N 2.79Å | ||
| 506 | N | 55.6 | Low | 50.4 | Low | 57 Ų | 57 | 99.4 Ų | 99.4 | 31% | 0.305 | 55% | 0.546 | S | S | . | . | trans | -55.4 | 111.6 | 174.3 | -66.5 | -14 | 0 | 0 | 0 | 108.2 | T429 F477 S504 W508 | T429-N506 PolarHBondContact N-ND2 2.95Å; F477-N506 HydrophobicContact CD1-CB 4.28Å; F477-N506 HydrophobicContact CE1-CB 4.45Å; S504-N506 PolarHBondContact O-N 3.27Å; N506-W508 VanDerWaalsContact O-CD1 3.31Å; N506-W508 PolarHBondContact O-N 3.2Å | ||
| 507 | T | 61.2 | Low | 51.7 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 98.7 | 172.8 | 42.8 | 0 | 0 | 0 | 0 | 107.9 | G478 K505 | G478-T507 PolarHBondContact N-O 3.17Å; G478-T507 VanDerWaalsContact N-O 3.09Å; G478-T507 PolarHBondContact O-OG1 3.02Å; K505-T507 PolarHBondContact O-N 2.79Å |
| 508 | W | 69 | Low | 53.8 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 148 | 169 | 52.7 | -93.7 | 0 | 0 | 0 | 110.7 | Y475 M476 F477 N506 E510 | Y475-W508 HydrophobicContact CD1-CD2 4.34Å; Y475-W508 AromaticContact CD1-CE3 3.68Å; Y475-W508 HydrophobicContact CD1-CE3 3.68Å; Y475-W508 HydrophobicContact CD1-CZ3 4.05Å; Y475-W508 AromaticContact CE1-CE3 3.81Å; Y475-W508 HydrophobicContact CE1-CE3 3.81Å; Y475-W508 HydrophobicContact CE1-CH2 4.34Å; Y475-W508 AromaticContact CE1-CZ3 3.69Å; Y475-W508 HydrophobicContact CE1-CZ3 3.69Å; M476-W508 VanDerWaalsContact O-CA 3.28Å; M476-W508 WeakPolarHBondContact O-CA 3.14Å; F477-W508 HydrophobicContact CD1-CB 3.8Å; F477-W508 HydrophobicContact CE1-CB 3.77Å; F477-W508 AromaticContact CE1-CD1 3.87Å; F477-W508 HydrophobicContact CE1-CG 4.07Å; F477-W508 HydrophobicContact CG-CB 4.23Å; F477-W508 HydrophobicContact CZ-CB 4.18Å; F477-W508 HydrophobicContact CZ-CG 4.48Å; N506-W508 VanDerWaalsContact O-CD1 3.31Å; N506-W508 PolarHBondContact O-N 3.2Å; W508-E510 HydrophobicContact CE3-CB 4.27Å; W508-E510 HydrophobicContact CZ3-CB 3.99Å |
| 509 | T | 72 | Confident | 56.3 | Low | 45 Ų | 45 | 95.7 Ų | 95.7 | 28% | 0.276 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | 164.8 | -53.7 | 0 | 0 | 0 | 0 | 107.6 | F458 Y475 M476 | F458-T509 WeakPolarHBondContact CZ-OG1 3.46Å; Y475-T509 WeakPolarHBondContact CA-O 3.48Å; M476-T509 PolarHBondContact N-O 3.43Å; M476-T509 PolarHBondContact O-N 2.99Å |
| 510 | E | 76.8 | Confident | 59.1 | Low | 74 Ų | 74 | 89.1 Ų | 89.1 | 35% | 0.346 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.8 | 173.6 | -172.8 | 176 | 154.7 | 0 | 0 | 108.9 | H473 Y475 W508 | H473-E510 IonicContact CD2-OE1 2.73Å; Y475-E510 HydrophobicContact CD1-CB 3.84Å; Y475-E510 HydrophobicContact CD1-CG 4.01Å; Y475-E510 HydrophobicContact CE1-CB 3.78Å; Y475-E510 HydrophobicContact CE1-CG 3.62Å; W508-E510 HydrophobicContact CE3-CB 4.27Å; W508-E510 HydrophobicContact CZ3-CB 3.99Å |
| 511 | L | 72.6 | Confident | 62.1 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -32.8 | -179 | -59.7 | -168 | 0 | 0 | 0 | 112.3 | V474 M476 L532 Y544 F551 | V474-L511 WeakPolarHBondContact O-CB 3.29Å; V474-L511 PolarHBondContact O-N 3.45Å; M476-L511 HydrophobicContact CE-CD2 4.23Å; M476-L511 HydrophobicContact CG-CD1 3.75Å; M476-L511 HydrophobicContact CG-CD2 4.33Å; M476-L511 HydrophobicContact CG-CG 4.05Å; M476-L511 HydrophobicContact SD-CD1 4.01Å; L511-L532 HydrophobicContact CD1-CD2 4.06Å; L511-Y544 HydrophobicContact CD1-CD1 3.69Å; L511-Y544 HydrophobicContact CD1-CD2 4.37Å; L511-Y544 HydrophobicContact CD1-CE1 3.78Å; L511-Y544 HydrophobicContact CD1-CE2 4.45Å; L511-Y544 HydrophobicContact CD1-CG 3.99Å; L511-Y544 HydrophobicContact CD2-CD1 4.5Å; L511-Y544 HydrophobicContact CD2-CE1 3.8Å; L511-Y544 HydrophobicContact CD2-CE2 3.93Å; L511-Y544 VanDerWaalsContact CD2-CZ 3.47Å; L511-Y544 WeakPolarHBondContact CD2-OH 3.49Å; L511-Y544 HydrophobicContact CG-CE1 4.44Å; L511-F551 HydrophobicContact CB-CZ 4.2Å; L511-F551 WeakPolarHBondContact O-CE2 3.34Å; L511-F551 WeakPolarHBondContact O-CZ 3.29Å |
| 512 | V | 66 | Low | 65.1 | Low | 10 Ų | 10 | 78.6 Ų | 78.6 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 120.9 | -168.5 | -179.2 | 0 | 0 | 0 | 0 | 109 | H473 V474 L514 L534 F536 L542 F551 | H473-V512 WeakPolarHBondContact CA-O 3.4Å; V474-V512 HydrophobicContact CB-CB 4.3Å; V474-V512 HydrophobicContact CB-CG2 4.35Å; V474-V512 HydrophobicContact CG2-CB 4.47Å; V512-L514 HydrophobicContact CG1-CB 4.08Å; V512-L514 HydrophobicContact CG1-CD1 3.47Å; V512-L514 VanDerWaalsContact CG1-CD1 3.47Å; V512-L514 HydrophobicContact CG1-CG 3.49Å; V512-L514 VanDerWaalsContact CG1-CG 3.49Å; V512-L534 HydrophobicContact CG2-CD2 3.57Å; V512-F536 HydrophobicContact CG1-CZ 4.38Å; V512-L542 HydrophobicContact CG2-CD1 4.3Å; V512-F551 HydrophobicContact CG2-CE1 4.18Å; V512-F551 HydrophobicContact CG2-CZ 3.58Å |
| 513 | D | 60.9 | Low | 68 | Low | 128 Ų | 128 | 72.4 Ų | 72.4 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | trans | -109.3 | 115.7 | 162 | 171.9 | -2.4 | 0 | 0 | 0 | 105.5 | ||||
| 514 | L | 57.9 | Low | 70.7 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | trans | -138.7 | 157 | -179.1 | -83.1 | 176.6 | 0 | 0 | 0 | 109.8 | V512 F536 | V512-L514 HydrophobicContact CG1-CB 4.08Å; V512-L514 HydrophobicContact CG1-CD1 3.47Å; V512-L514 VanDerWaalsContact CG1-CD1 3.47Å; V512-L514 HydrophobicContact CG1-CG 3.49Å; V512-L514 VanDerWaalsContact CG1-CG 3.49Å; L514-F536 HydrophobicContact CD1-CD1 4.38Å; L514-F536 HydrophobicContact CD1-CE1 3.61Å; L514-F536 HydrophobicContact CD1-CZ 3.83Å | ||
| 515 | I | 55.3 | Low | 73 | Confident | 129 Ų | 129 | 62.4 Ų | 62.4 | 66% | 0.662 | 32% | 0.324 | S | S | * | . | trans | -56.6 | 140.7 | -171.7 | -50.9 | 171.1 | 0 | 0 | 0 | 111.3 | T517 S518 | I515-T517 PolarHBondContact O-N 3.38Å; I515-S518 PolarHBondContact O-N 3.13Å; I515-S518 PolarHBondContact O-OG 3.4Å | ||
| 516 | D | 55.9 | Low | 75.1 | Confident | 141 Ų | 141 | 53.7 Ų | 53.7 | 75% | 0.754 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.7 | -4.5 | -175.1 | -56 | -55.8 | 0 | 0 | 0 | 119.1 | ||
| 517 | T | 61.6 | Low | 76.5 | Confident | 117 Ų | 117 | 53 Ų | 53 | 72% | 0.718 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -10.5 | -177.1 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | I515 N537 | I515-T517 PolarHBondContact O-N 3.38Å; T517-N537 PolarHBondContact O-ND2 2.89Å |
| 518 | S | 77.7 | Confident | 77.8 | Confident | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | trans | -89 | 125.4 | 175.7 | 34 | 0 | 0 | 0 | 0 | 110.8 | G472 I515 | G472-S518 WeakPolarHBondContact CA-O 3.49Å; G472-S518 PolarHBondContact N-O 3.36Å; I515-S518 PolarHBondContact O-N 3.13Å; I515-S518 PolarHBondContact O-OG 3.4Å | ||
| 519 | V | 87.2 | Confident | 78.7 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | trans | -115.1 | 130.5 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | V435 S521 F536 N537 | V435-V519 HydrophobicContact CB-CG1 4.4Å; V435-V519 HydrophobicContact CG1-CG1 4.1Å; V435-V519 HydrophobicContact CG2-CG1 3.82Å; V519-S521 PolarHBondContact O-N 2.98Å; V519-F536 CarbonylContact O-C 3.49Å; V519-F536 VanDerWaalsContact O-CA 3.3Å; V519-F536 WeakPolarHBondContact O-CA 3.21Å; V519-N537 HydrophobicContact CB-CB 4.29Å; V519-N537 PolarHBondContact N-OD1 2.9Å; V519-N537 PolarHBondContact O-N 3Å; V519-N537 PolarHBondContact O-OD1 2.89Å | ||
| 520 | C | 89.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 95.4 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | S468 V474 A522 G535 F536 | S468-C520 WeakPolarHBondContact CB-O 3.38Å; S468-C520 PolarHBondContact OG-O 2.85Å; V474-C520 HydrophobicContact CG2-CB 3.76Å; C520-A522 PolarHBondContact SG-O 2.84Å; C520-G535 CarbonylContact C-O 3.56Å; C520-G535 WeakPolarHBondContact CA-O 3.39Å; C520-F536 HydrophobicContact CB-CD1 3.99Å; C520-F536 HydrophobicContact CB-CE1 3.66Å; C520-F536 HydrophobicContact CB-CZ 4.02Å |
| 521 | S | 91.7 | Very high | 80.2 | Confident | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -16.8 | -173.1 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | V519 G535 F536 N537 V564 | V519-S521 PolarHBondContact O-N 2.98Å; S521-G535 PolarHBondContact N-O 3.05Å; S521-G535 PolarHBondContact OG-O 3.1Å; S521-F536 VanDerWaalsContact OG-C 3.31Å; S521-N537 PolarHBondContact OG-N 3.49Å; S521-V564 WeakPolarHBondContact CB-O 3.4Å; S521-V564 PolarHBondContact OG-O 2.79Å |
| 522 | A | 93.6 | Very high | 81.1 | Confident | 7 Ų | 7 | 40 Ų | 40 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C520 G535 V564 F567 | C520-A522 PolarHBondContact SG-O 2.84Å; A522-G535 PolarHBondContact N-O 3.38Å; A522-G535 VanDerWaalsContact N-O 3.1Å; A522-G535 PolarHBondContact O-N 3.01Å; A522-V564 HydrophobicContact CB-CG1 4.28Å; A522-F567 HydrophobicContact CB-CD2 3.99Å; A522-F567 HydrophobicContact CB-CE2 3.79Å |
| 523 | L | 94.3 | Very high | 82.4 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.3 | 172.2 | -70.8 | 170.1 | 0 | 0 | 0 | 109.6 | E438 A466 V474 L532 A533 L534 | E438-L523 HydrophobicContact CB-CB 3.72Å; E438-L523 HydrophobicContact CB-CD1 4.29Å; E438-L523 HydrophobicContact CG-CB 4.4Å; A466-L523 HydrophobicContact CB-CD1 4.26Å; V474-L523 HydrophobicContact CG1-CD2 4.32Å; L523-L532 HydrophobicContact CD2-CD1 4.33Å; L523-L532 HydrophobicContact CD2-CG 4.47Å; L523-A533 WeakPolarHBondContact CA-O 3.37Å; L523-L534 HydrophobicContact CD2-CB 4.34Å; L523-L534 HydrophobicContact CD2-CG 3.89Å |
| 524 | L | 94.2 | Very high | 83.8 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 129.4 | 166.8 | 175.3 | 67.2 | 0 | 0 | 0 | 110.4 | E438 L532 A533 F567 L569 L582 | E438-L524 WeakPolarHBondContact OE1-CA 3.47Å; L524-L532 CarbonylContact O-C 3.54Å; L524-L532 WeakPolarHBondContact O-CA 3.5Å; L524-A533 PolarHBondContact N-O 3.06Å; L524-A533 VanDerWaalsContact N-O 3.1Å; L524-A533 PolarHBondContact O-N 2.94Å; L524-F567 HydrophobicContact CB-CB 3.72Å; L524-F567 HydrophobicContact CB-CD2 3.92Å; L524-F567 HydrophobicContact CB-CG 4.17Å; L524-F567 HydrophobicContact CD2-CB 3.5Å; L524-F567 VanDerWaalsContact CD2-CB 3.5Å; L524-F567 HydrophobicContact CG-CB 4.22Å; L524-L569 HydrophobicContact CD2-CD1 3.89Å; L524-L569 HydrophobicContact CD2-CG 4.01Å; L524-L569 HydrophobicContact CG-CD1 4.47Å; L524-L582 HydrophobicContact CD2-CD1 4.37Å |
| 525 | F | 92.9 | Very high | 85.4 | Confident | 17 Ų | 17 | 30.8 Ų | 30.8 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.9 | 173.9 | 177 | -109.3 | 0 | 0 | 0 | 111.8 | E438 V440 Q527 M530 I531 L532 V546 | E438-F525 HydrophobicContact CG-CB 3.8Å; E438-F525 PolarHBondContact OE1-N 3.02Å; V440-F525 HydrophobicContact CB-CG 4.36Å; V440-F525 HydrophobicContact CG1-CD1 4.38Å; V440-F525 HydrophobicContact CG1-CD2 3.87Å; V440-F525 HydrophobicContact CG1-CE1 4.33Å; V440-F525 HydrophobicContact CG1-CE2 3.82Å; V440-F525 HydrophobicContact CG1-CG 4.16Å; V440-F525 HydrophobicContact CG1-CZ 4.05Å; V440-F525 HydrophobicContact CG2-CB 4.47Å; V440-F525 HydrophobicContact CG2-CG 4.41Å; V440-F525 WeakPolarHBondContact O-CD1 3.34Å; V440-F525 WeakPolarHBondContact O-CE1 3.4Å; F525-Q527 HydrophobicContact CE1-CB 4.12Å; F525-M530 HydrophobicContact CE2-CE 4.49Å; F525-M530 HydrophobicContact CZ-CE 3.94Å; F525-M530 HydrophobicContact CZ-SD 3.83Å; F525-I531 WeakPolarHBondContact CD2-O 3.43Å; F525-L532 HydrophobicContact CB-CD1 4.01Å; F525-L532 HydrophobicContact CD2-CB 4.35Å; F525-V546 HydrophobicContact CD2-CG2 4.29Å; F525-V546 HydrophobicContact CE2-CB 4.5Å; F525-V546 HydrophobicContact CE2-CG2 3.9Å |
| 526 | S | 90.3 | Very high | 87 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118 | 170.1 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | Q528 T529 M530 I531 L569 | S526-Q528 PolarHBondContact O-N 3.49Å; S526-Q528 PolarHBondContact OG-N 3.04Å; S526-T529 WeakPolarHBondContact CB-OG1 3.25Å; S526-T529 PolarHBondContact O-N 3.37Å; S526-T529 PolarHBondContact O-OG1 2.85Å; S526-M530 VanDerWaalsContact O-CA 3.23Å; S526-M530 WeakPolarHBondContact O-CA 3.41Å; S526-M530 PolarHBondContact O-N 2.83Å; S526-I531 PolarHBondContact N-O 2.87Å; S526-L569 VanDerWaalsContact CB-CD1 3.46Å |
| 527 | Q | 86.4 | Confident | 88.5 | Confident | 44 Ų | 44 | 20.7 Ų | 20.7 | 21% | 0.206 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.8 | 170.9 | -172.7 | -173.7 | -26 | 0 | 0 | 112.4 | Q445 F525 T529 M530 | Q445-Q527 VanDerWaalsContact CG-OE1 3.28Å; Q445-Q527 VanDerWaalsContact NE2-CD 3.34Å; F525-Q527 HydrophobicContact CE1-CB 4.12Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.9Å; Q527-M530 HydrophobicContact CG-SD 4.35Å |
| 528 | Q | 87.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 19 Ų | 19 | 25% | 0.248 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32.2 | 179 | -59.3 | -167.5 | -79.6 | 0 | 0 | 112.3 | S526 E571 I580 N617 V618 Y619 | S526-Q528 PolarHBondContact O-N 3.49Å; S526-Q528 PolarHBondContact OG-N 3.04Å; Q528-E571 PolarHBondContact NE2-OE2 2.89Å; Q528-I580 HydrophobicContact CB-CD1 4.39Å; Q528-N617 PolarHBondContact NE2-O 3.47Å; Q528-V618 CarbonylContact O-C 3.57Å; Q528-V618 WeakPolarHBondContact O-CA 3.39Å; Q528-Y619 PolarHBondContact O-N 3.45Å |
| 529 | T | 89.1 | Confident | 89.7 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -12.2 | -177.6 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | S526 Q527 I531 I580 F606 | S526-T529 WeakPolarHBondContact CB-OG1 3.25Å; S526-T529 PolarHBondContact O-N 3.37Å; S526-T529 PolarHBondContact O-OG1 2.85Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.9Å; T529-I531 PolarHBondContact O-N 3.47Å; T529-I531 WeakPolarHBondContact OG1-CB 3.44Å; T529-I531 PolarHBondContact OG1-N 2.96Å; T529-I580 HydrophobicContact CG2-CD1 3.66Å; T529-F606 HydrophobicContact CG2-CE1 4.21Å; T529-F606 HydrophobicContact CG2-CE2 3.85Å; T529-F606 HydrophobicContact CG2-CZ 3.39Å |
| 530 | M | 88.7 | Confident | 89.5 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26.2 | -166.7 | -60.9 | -60.1 | -65.5 | 0 | 0 | 114 | V449 W450 F525 S526 Q527 V546 L547 | V449-M530 HydrophobicContact CG1-CE 4.49Å; V449-M530 HydrophobicContact CG1-CG 3.85Å; V449-M530 HydrophobicContact CG1-SD 3.56Å; V449-M530 VanDerWaalsContact CG1-SD 3.56Å; W450-M530 HydrophobicContact CD2-CE 4.14Å; W450-M530 HydrophobicContact CE3-CE 4.25Å; W450-M530 HydrophobicContact CH2-CE 3.79Å; W450-M530 HydrophobicContact CZ2-CE 3.66Å; W450-M530 HydrophobicContact CZ3-CE 4.09Å; F525-M530 HydrophobicContact CE2-CE 4.49Å; F525-M530 HydrophobicContact CZ-CE 3.94Å; F525-M530 HydrophobicContact CZ-SD 3.83Å; S526-M530 VanDerWaalsContact O-CA 3.23Å; S526-M530 WeakPolarHBondContact O-CA 3.41Å; S526-M530 PolarHBondContact O-N 2.83Å; Q527-M530 HydrophobicContact CG-SD 4.35Å; M530-V546 PolarHBondContact O-N 2.64Å; M530-L547 HydrophobicContact CB-CD1 4.15Å; M530-L547 HydrophobicContact CB-CG 3.94Å; M530-L547 HydrophobicContact CE-CD2 3.85Å; M530-L547 HydrophobicContact CE-CG 4.01Å; M530-L547 HydrophobicContact CG-CD1 3.8Å; M530-L547 HydrophobicContact CG-CG 3.9Å |
| 531 | I | 90.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.6 | 176.3 | -62.4 | 173.5 | 0 | 0 | 0 | 110.1 | F525 S526 T529 L543 Y544 F606 F622 | F525-I531 WeakPolarHBondContact CD2-O 3.43Å; S526-I531 PolarHBondContact N-O 2.87Å; T529-I531 PolarHBondContact O-N 3.47Å; T529-I531 WeakPolarHBondContact OG1-CB 3.44Å; T529-I531 PolarHBondContact OG1-N 2.96Å; I531-L543 HydrophobicContact CG2-CB 3.91Å; I531-L543 HydrophobicContact CG2-CD2 4.03Å; I531-L543 HydrophobicContact CG2-CG 4.47Å; I531-Y544 CarbonylContact C-O 3.49Å; I531-Y544 VanDerWaalsContact CA-O 3.3Å; I531-Y544 WeakPolarHBondContact CA-O 3.31Å; I531-F606 HydrophobicContact CD1-CE1 4.27Å; I531-F606 HydrophobicContact CD1-CZ 3.97Å; I531-F622 HydrophobicContact CD1-CD2 3.94Å; I531-F622 HydrophobicContact CD1-CE2 4.31Å |
| 532 | L | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.3 | 159.7 | 179.4 | 70.2 | 0 | 0 | 0 | 108 | E438 V440 A466 M476 L511 L523 L524 F525 L534 Y544 V546 | E438-L532 HydrophobicContact CG-CD1 4.15Å; V440-L532 HydrophobicContact CG2-CD1 4.36Å; A466-L532 HydrophobicContact CB-CD1 4.19Å; A466-L532 HydrophobicContact CB-CD2 3.75Å; M476-L532 HydrophobicContact SD-CD2 4.46Å; L511-L532 HydrophobicContact CD1-CD2 4.06Å; L523-L532 HydrophobicContact CD2-CD1 4.33Å; L523-L532 HydrophobicContact CD2-CG 4.47Å; L524-L532 CarbonylContact O-C 3.54Å; L524-L532 WeakPolarHBondContact O-CA 3.5Å; F525-L532 HydrophobicContact CB-CD1 4.01Å; F525-L532 HydrophobicContact CD2-CB 4.35Å; L532-L534 HydrophobicContact CB-CD1 4.47Å; L532-L534 HydrophobicContact CD2-CD1 4.1Å; L532-L534 HydrophobicContact CG-CD1 3.94Å; L532-L534 WeakPolarHBondContact O-CD1 3.35Å; L532-Y544 PolarHBondContact N-O 3.3Å; L532-Y544 PolarHBondContact O-N 2.58Å; L532-V546 HydrophobicContact CB-CG2 4.32Å |
| 533 | A | 92.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L523 L524 V541 L542 L543 F567 L582 | L523-A533 WeakPolarHBondContact CA-O 3.37Å; L524-A533 PolarHBondContact N-O 3.06Å; L524-A533 VanDerWaalsContact N-O 3.1Å; L524-A533 PolarHBondContact O-N 2.94Å; A533-V541 HydrophobicContact CB-CG1 4.48Å; A533-L542 WeakPolarHBondContact CA-O 3.39Å; A533-L543 HydrophobicContact CB-CD2 3.87Å; A533-F567 HydrophobicContact CB-CD2 4.37Å; A533-F567 HydrophobicContact CB-CE1 4.41Å; A533-F567 HydrophobicContact CB-CE2 4.12Å; A533-F567 HydrophobicContact CB-CZ 4.14Å; A533-L582 HydrophobicContact CB-CD2 4.5Å |
| 534 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.5 | 178.3 | -61.6 | 69.7 | 0 | 0 | 0 | 108 | V474 V512 L523 L532 F536 V541 L542 F551 | V474-L534 HydrophobicContact CB-CD2 4.08Å; V474-L534 HydrophobicContact CG1-CD2 4.09Å; V474-L534 HydrophobicContact CG2-CD2 3.9Å; V512-L534 HydrophobicContact CG2-CD2 3.57Å; L523-L534 HydrophobicContact CD2-CB 4.34Å; L523-L534 HydrophobicContact CD2-CG 3.89Å; L532-L534 HydrophobicContact CB-CD1 4.47Å; L532-L534 HydrophobicContact CD2-CD1 4.1Å; L532-L534 HydrophobicContact CG-CD1 3.94Å; L532-L534 WeakPolarHBondContact O-CD1 3.35Å; L534-F536 HydrophobicContact CB-CE2 3.86Å; L534-F536 HydrophobicContact CB-CZ 4.36Å; L534-V541 CarbonylContact O-C 3.59Å; L534-V541 VanDerWaalsContact O-CA 3.26Å; L534-V541 WeakPolarHBondContact O-CA 3.36Å; L534-L542 HydrophobicContact CB-CB 4.22Å; L534-L542 PolarHBondContact N-O 3.05Å; L534-L542 PolarHBondContact O-N 3.28Å; L534-F551 HydrophobicContact CD2-CE1 4.38Å |
| 535 | G | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C520 S521 A522 | C520-G535 CarbonylContact C-O 3.56Å; C520-G535 WeakPolarHBondContact CA-O 3.39Å; S521-G535 PolarHBondContact N-O 3.05Å; S521-G535 PolarHBondContact OG-O 3.1Å; A522-G535 PolarHBondContact N-O 3.38Å; A522-G535 VanDerWaalsContact N-O 3.1Å; A522-G535 PolarHBondContact O-N 3.01Å |
| 536 | F | 88.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 156.8 | -173.4 | -68.1 | -96.5 | 0 | 0 | 0 | 114 | V512 L514 V519 C520 S521 L534 F538 G539 C540 L542 V564 | V512-F536 HydrophobicContact CG1-CZ 4.38Å; L514-F536 HydrophobicContact CD1-CD1 4.38Å; L514-F536 HydrophobicContact CD1-CE1 3.61Å; L514-F536 HydrophobicContact CD1-CZ 3.83Å; V519-F536 CarbonylContact O-C 3.49Å; V519-F536 VanDerWaalsContact O-CA 3.3Å; V519-F536 WeakPolarHBondContact O-CA 3.21Å; C520-F536 HydrophobicContact CB-CD1 3.99Å; C520-F536 HydrophobicContact CB-CE1 3.66Å; C520-F536 HydrophobicContact CB-CZ 4.02Å; S521-F536 VanDerWaalsContact OG-C 3.31Å; L534-F536 HydrophobicContact CB-CE2 3.86Å; L534-F536 HydrophobicContact CB-CZ 4.36Å; F536-F538 HydrophobicContact CB-CD1 3.67Å; F536-F538 HydrophobicContact CB-CE1 3.4Å; F536-F538 HydrophobicContact CB-CG 4.48Å; F536-F538 HydrophobicContact CB-CZ 4.04Å; F536-F538 AromaticContact CD1-CE1 3.84Å; F536-F538 HydrophobicContact CD1-CE1 3.84Å; F536-F538 HydrophobicContact CG-CD1 4.48Å; F536-F538 AromaticContact CG-CE1 3.75Å; F536-F538 HydrophobicContact CG-CE1 3.75Å; F536-F538 HydrophobicContact CG-CZ 4.23Å; F536-F538 PolarHBondContact O-N 2.8Å; F536-G539 PolarHBondContact O-N 3.44Å; F536-C540 PolarHBondContact N-O 3.18Å; F536-C540 VanDerWaalsContact N-O 3.08Å; F536-L542 HydrophobicContact CE2-CB 4.48Å; F536-L542 HydrophobicContact CE2-CD1 3.73Å; F536-L542 HydrophobicContact CE2-CG 3.81Å; F536-L542 HydrophobicContact CZ-CD1 3.96Å; F536-V564 PolarHBondContact O-N 3.15Å |
| 537 | N | 87.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 15 Ų | 15 | 30% | 0.299 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -7.6 | 178.1 | 68.9 | -25.1 | 0 | 0 | 0 | 115.1 | T517 V519 S521 E563 | T517-N537 PolarHBondContact O-ND2 2.89Å; V519-N537 HydrophobicContact CB-CB 4.29Å; V519-N537 PolarHBondContact N-OD1 2.9Å; V519-N537 PolarHBondContact O-N 3Å; V519-N537 PolarHBondContact O-OD1 2.89Å; S521-N537 PolarHBondContact OG-N 3.49Å; N537-E563 HydrophobicContact CB-CG 4.32Å; N537-E563 WeakPolarHBondContact O-CA 3.49Å |
| 538 | F | 81.8 | Confident | 87 | Confident | 82 Ų | 82 | 16.7 Ų | 16.7 | 36% | 0.36 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 11.5 | 176.6 | 65.9 | -85.5 | 0 | 0 | 0 | 114.1 | F536 C540 H562 | F536-F538 HydrophobicContact CB-CD1 3.67Å; F536-F538 HydrophobicContact CB-CE1 3.4Å; F536-F538 HydrophobicContact CB-CG 4.48Å; F536-F538 HydrophobicContact CB-CZ 4.04Å; F536-F538 AromaticContact CD1-CE1 3.84Å; F536-F538 HydrophobicContact CD1-CE1 3.84Å; F536-F538 HydrophobicContact CG-CD1 4.48Å; F536-F538 AromaticContact CG-CE1 3.75Å; F536-F538 HydrophobicContact CG-CE1 3.75Å; F536-F538 HydrophobicContact CG-CZ 4.23Å; F536-F538 PolarHBondContact O-N 2.8Å; F538-C540 HydrophobicContact CD2-CB 4.01Å; F538-C540 HydrophobicContact CE2-CB 3.37Å; F538-C540 HydrophobicContact CZ-CB 3.72Å; F538-H562 CarbonylContact C-O 3.51Å |
| 539 | G | 82.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 95.1 | -1.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F536 H562 K586 | F536-G539 PolarHBondContact O-N 3.44Å; G539-H562 WeakPolarHBondContact CA-O 3.33Å; G539-H562 PolarHBondContact N-O 2.64Å; G539-K586 WeakPolarHBondContact O-CE 3.41Å; G539-K586 PolarHBondContact O-NZ 3.15Å; G539-K586 VanDerWaalsContact O-NZ 3.08Å |
| 540 | C | 83.7 | Confident | 85.4 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | trans | -77.5 | 148.8 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | F536 F538 | F536-C540 PolarHBondContact N-O 3.18Å; F536-C540 VanDerWaalsContact N-O 3.08Å; F538-C540 HydrophobicContact CD2-CB 4.01Å; F538-C540 HydrophobicContact CE2-CB 3.37Å; F538-C540 HydrophobicContact CZ-CB 3.72Å | ||
| 541 | V | 87.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.6 | 168.6 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | A533 L534 L543 W555 V564 F567 V584 | A533-V541 HydrophobicContact CB-CG1 4.48Å; L534-V541 CarbonylContact O-C 3.59Å; L534-V541 VanDerWaalsContact O-CA 3.26Å; L534-V541 WeakPolarHBondContact O-CA 3.36Å; V541-L543 HydrophobicContact CG1-CD2 4.09Å; V541-W555 HydrophobicContact CB-CE3 3.97Å; V541-W555 HydrophobicContact CG2-CE3 3.85Å; V541-W555 HydrophobicContact CG2-CZ3 4.12Å; V541-W555 PolarHBondContact N-O 3.37Å; V541-W555 CarbonylContact O-C 3.57Å; V541-W555 WeakPolarHBondContact O-CA 3.46Å; V541-W555 PolarHBondContact O-N 3.45Å; V541-V564 HydrophobicContact CG2-CG2 4.16Å; V541-F567 HydrophobicContact CG1-CE1 3.83Å; V541-F567 HydrophobicContact CG1-CZ 3.76Å; V541-F567 HydrophobicContact CG2-CE1 3.87Å; V541-F567 HydrophobicContact CG2-CZ 4.03Å; V541-V584 HydrophobicContact CG2-CG1 4.11Å; V541-V584 HydrophobicContact CG2-CG2 4.49Å |
| 542 | L | 86.5 | Confident | 82.5 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.2 | 170.9 | -55.5 | 179.1 | 0 | 0 | 0 | 110.1 | V512 A533 L534 F536 F551 V554 | V512-L542 HydrophobicContact CG2-CD1 4.3Å; A533-L542 WeakPolarHBondContact CA-O 3.39Å; L534-L542 HydrophobicContact CB-CB 4.22Å; L534-L542 PolarHBondContact N-O 3.05Å; L534-L542 PolarHBondContact O-N 3.28Å; F536-L542 HydrophobicContact CE2-CB 4.48Å; F536-L542 HydrophobicContact CE2-CD1 3.73Å; F536-L542 HydrophobicContact CE2-CG 3.81Å; F536-L542 HydrophobicContact CZ-CD1 3.96Å; L542-F551 HydrophobicContact CB-CD1 4.07Å; L542-F551 HydrophobicContact CB-CE1 4.01Å; L542-F551 HydrophobicContact CD1-CE1 4.12Å; L542-V554 HydrophobicContact CD2-CB 4.12Å; L542-V554 HydrophobicContact CD2-CG1 3.79Å; L542-V554 HydrophobicContact CD2-CG2 3.91Å |
| 543 | L | 88.5 | Confident | 80.8 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106.9 | 176.6 | -59.5 | -176.8 | 0 | 0 | 0 | 109.7 | I531 A533 V541 S552 F553 L582 L604 F622 T625 | I531-L543 HydrophobicContact CG2-CB 3.91Å; I531-L543 HydrophobicContact CG2-CD2 4.03Å; I531-L543 HydrophobicContact CG2-CG 4.47Å; A533-L543 HydrophobicContact CB-CD2 3.87Å; V541-L543 HydrophobicContact CG1-CD2 4.09Å; L543-S552 PolarHBondContact O-N 2.91Å; L543-F553 HydrophobicContact CB-CB 4.28Å; L543-F553 HydrophobicContact CD1-CB 4.3Å; L543-F553 PolarHBondContact N-O 3.23Å; L543-F553 PolarHBondContact O-N 3.3Å; L543-L582 HydrophobicContact CD2-CD2 4.07Å; L543-L604 HydrophobicContact CD1-CD2 3.72Å; L543-F622 HydrophobicContact CD1-CE2 4.49Å; L543-F622 HydrophobicContact CD1-CZ 4.23Å; L543-T625 HydrophobicContact CD1-CG2 3.78Å |
| 544 | Y | 86.3 | Confident | 78.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.2 | -178.1 | -177.7 | -100.4 | 0 | 0 | 0 | 111.4 | M476 L511 I531 L532 V546 D549 F551 | M476-Y544 HydrophobicContact CE-CE1 4.03Å; M476-Y544 HydrophobicContact SD-CE1 4.39Å; L511-Y544 HydrophobicContact CD1-CD1 3.69Å; L511-Y544 HydrophobicContact CD1-CD2 4.37Å; L511-Y544 HydrophobicContact CD1-CE1 3.78Å; L511-Y544 HydrophobicContact CD1-CE2 4.45Å; L511-Y544 HydrophobicContact CD1-CG 3.99Å; L511-Y544 HydrophobicContact CD2-CD1 4.5Å; L511-Y544 HydrophobicContact CD2-CE1 3.8Å; L511-Y544 HydrophobicContact CD2-CE2 3.93Å; L511-Y544 VanDerWaalsContact CD2-CZ 3.47Å; L511-Y544 WeakPolarHBondContact CD2-OH 3.49Å; L511-Y544 HydrophobicContact CG-CE1 4.44Å; I531-Y544 CarbonylContact C-O 3.49Å; I531-Y544 VanDerWaalsContact CA-O 3.3Å; I531-Y544 WeakPolarHBondContact CA-O 3.31Å; L532-Y544 PolarHBondContact N-O 3.3Å; L532-Y544 PolarHBondContact O-N 2.58Å; Y544-V546 HydrophobicContact CD1-CG2 4.09Å; Y544-V546 HydrophobicContact CE1-CG2 4.28Å; Y544-D549 WeakPolarHBondContact OH-CA 3.27Å; Y544-D549 PolarHBondContact OH-OD1 3.2Å; Y544-F551 AromaticContact CD2-CD1 3.93Å; Y544-F551 HydrophobicContact CD2-CD1 3.93Å; Y544-F551 AromaticContact CD2-CD2 3.92Å; Y544-F551 HydrophobicContact CD2-CD2 3.92Å; Y544-F551 AromaticContact CD2-CE1 3.77Å; Y544-F551 HydrophobicContact CD2-CE1 3.77Å; Y544-F551 AromaticContact CD2-CE2 3.74Å; Y544-F551 HydrophobicContact CD2-CE2 3.74Å; Y544-F551 HydrophobicContact CD2-CG 4Å; Y544-F551 AromaticContact CD2-CZ 3.65Å; Y544-F551 HydrophobicContact CD2-CZ 3.65Å; Y544-F551 HydrophobicContact CE2-CD2 4.4Å; Y544-F551 HydrophobicContact CE2-CE2 4.14Å; Y544-F551 HydrophobicContact CE2-CZ 4.37Å; Y544-F551 HydrophobicContact CG-CD1 4.46Å; Y544-F551 HydrophobicContact CG-CE1 4.19Å; Y544-F551 HydrophobicContact CG-CZ 4.36Å |
| 545 | H | 87 | Confident | 77.1 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 100.3 | -173.7 | -171.7 | -66.6 | 0 | 0 | 0 | 111.6 | L547 F548 D549 A550 S552 | H545-L547 VanDerWaalsContact C-N 3.29Å; H545-L547 PolarHBondContact O-N 2.86Å; H545-L547 VanDerWaalsContact O-N 3.12Å; H545-F548 AromaticContact CE1-CD2 3.24Å; H545-F548 WeakPolarHBondContact CE1-CD2 3.45Å; H545-F548 AromaticContact CE1-CE2 3.26Å; H545-F548 WeakPolarHBondContact CE1-CE2 3.39Å; H545-F548 AromaticContact CE1-CG 3.93Å; H545-F548 AromaticContact CE1-CZ 3.99Å; H545-F548 AromaticContact CG-CD2 3.86Å; H545-F548 AromaticContact ND1-CD2 3.2Å; H545-F548 WeakPolarHBondContact ND1-CD2 3.41Å; H545-F548 AromaticContact ND1-CE2 3.76Å; H545-F548 AromaticContact ND1-CG 3.67Å; H545-F548 AromaticContact NE2-CD2 3.87Å; H545-F548 AromaticContact NE2-CE2 3.7Å; H545-F548 PolarHBondContact O-N 2.79Å; H545-D549 PolarHBondContact O-N 3.14Å; H545-A550 PolarHBondContact N-O 2.91Å; H545-S552 WeakPolarHBondContact CB-OG 3.27Å |
| 546 | V | 85.7 | Confident | 75 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.7 | -163.9 | -179 | 0 | 0 | 0 | 0 | 113.8 | V440 W450 M476 F525 M530 L532 Y544 F548 | V440-V546 HydrophobicContact CG1-CG1 4.03Å; V440-V546 HydrophobicContact CG1-CG2 4.01Å; W450-V546 HydrophobicContact CH2-CG1 3.79Å; W450-V546 HydrophobicContact CZ3-CG1 3.83Å; M476-V546 HydrophobicContact CE-CG1 4.35Å; F525-V546 HydrophobicContact CD2-CG2 4.29Å; F525-V546 HydrophobicContact CE2-CB 4.5Å; F525-V546 HydrophobicContact CE2-CG2 3.9Å; M530-V546 PolarHBondContact O-N 2.64Å; L532-V546 HydrophobicContact CB-CG2 4.32Å; Y544-V546 HydrophobicContact CD1-CG2 4.09Å; Y544-V546 HydrophobicContact CE1-CG2 4.28Å; V546-F548 VanDerWaalsContact C-N 3.33Å; V546-F548 PolarHBondContact O-N 3.05Å |
| 547 | L | 82.4 | Confident | 72.9 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.8 | 176.9 | -66 | -179.3 | 0 | 0 | 0 | 114 | V449 W450 C453 Q454 M530 H545 | V449-L547 WeakPolarHBondContact O-CD2 3.3Å; W450-L547 HydrophobicContact CE3-CD2 4.39Å; C453-L547 HydrophobicContact CB-CD2 3.66Å; Q454-L547 WeakPolarHBondContact CG-O 3.34Å; Q454-L547 PolarHBondContact N-O 3.05Å; M530-L547 HydrophobicContact CB-CD1 4.15Å; M530-L547 HydrophobicContact CB-CG 3.94Å; M530-L547 HydrophobicContact CE-CD2 3.85Å; M530-L547 HydrophobicContact CE-CG 4.01Å; M530-L547 HydrophobicContact CG-CD1 3.8Å; M530-L547 HydrophobicContact CG-CG 3.9Å; H545-L547 VanDerWaalsContact C-N 3.29Å; H545-L547 PolarHBondContact O-N 2.86Å; H545-L547 VanDerWaalsContact O-N 3.12Å |
| 548 | F | 77.6 | Confident | 71 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 2.6 | -169.6 | -60.4 | -35.9 | 0 | 0 | 0 | 114.1 | H545 V546 A550 | H545-F548 AromaticContact CE1-CD2 3.24Å; H545-F548 WeakPolarHBondContact CE1-CD2 3.45Å; H545-F548 AromaticContact CE1-CE2 3.26Å; H545-F548 WeakPolarHBondContact CE1-CE2 3.39Å; H545-F548 AromaticContact CE1-CG 3.93Å; H545-F548 AromaticContact CE1-CZ 3.99Å; H545-F548 AromaticContact CG-CD2 3.86Å; H545-F548 AromaticContact ND1-CD2 3.2Å; H545-F548 WeakPolarHBondContact ND1-CD2 3.41Å; H545-F548 AromaticContact ND1-CE2 3.76Å; H545-F548 AromaticContact ND1-CG 3.67Å; H545-F548 AromaticContact NE2-CD2 3.87Å; H545-F548 AromaticContact NE2-CE2 3.7Å; H545-F548 PolarHBondContact O-N 2.79Å; V546-F548 VanDerWaalsContact C-N 3.33Å; V546-F548 PolarHBondContact O-N 3.05Å; F548-A550 PolarHBondContact O-N 3.23Å |
| 549 | D | 73.3 | Confident | 69.6 | Low | 82 Ų | 82 | 45.5 Ų | 45.5 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 38.7 | 178.4 | -153.1 | 41.3 | 0 | 0 | 0 | 112.7 | Y544 H545 | Y544-D549 WeakPolarHBondContact OH-CA 3.27Å; Y544-D549 PolarHBondContact OH-OD1 3.2Å; H545-D549 PolarHBondContact O-N 3.14Å |
| 550 | A | 68.7 | Low | 68.7 | Low | 43 Ų | 43 | 48.3 Ų | 48.3 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H545 F548 S552 | H545-A550 PolarHBondContact N-O 2.91Å; F548-A550 PolarHBondContact O-N 3.23Å; A550-S552 PolarHBondContact O-N 2.9Å |
| 551 | F | 61.9 | Low | 68.1 | Low | 79 Ų | 79 | 50 Ų | 50 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 111.1 | 163.2 | -68.8 | -84.2 | 0 | 0 | 0 | 109.6 | L511 V512 L534 L542 Y544 F553 | L511-F551 HydrophobicContact CB-CZ 4.2Å; L511-F551 WeakPolarHBondContact O-CE2 3.34Å; L511-F551 WeakPolarHBondContact O-CZ 3.29Å; V512-F551 HydrophobicContact CG2-CE1 4.18Å; V512-F551 HydrophobicContact CG2-CZ 3.58Å; L534-F551 HydrophobicContact CD2-CE1 4.38Å; L542-F551 HydrophobicContact CB-CD1 4.07Å; L542-F551 HydrophobicContact CB-CE1 4.01Å; L542-F551 HydrophobicContact CD1-CE1 4.12Å; Y544-F551 AromaticContact CD2-CD1 3.93Å; Y544-F551 HydrophobicContact CD2-CD1 3.93Å; Y544-F551 AromaticContact CD2-CD2 3.92Å; Y544-F551 HydrophobicContact CD2-CD2 3.92Å; Y544-F551 AromaticContact CD2-CE1 3.77Å; Y544-F551 HydrophobicContact CD2-CE1 3.77Å; Y544-F551 AromaticContact CD2-CE2 3.74Å; Y544-F551 HydrophobicContact CD2-CE2 3.74Å; Y544-F551 HydrophobicContact CD2-CG 4Å; Y544-F551 AromaticContact CD2-CZ 3.65Å; Y544-F551 HydrophobicContact CD2-CZ 3.65Å; Y544-F551 HydrophobicContact CE2-CD2 4.4Å; Y544-F551 HydrophobicContact CE2-CE2 4.14Å; Y544-F551 HydrophobicContact CE2-CZ 4.37Å; Y544-F551 HydrophobicContact CG-CD1 4.46Å; Y544-F551 HydrophobicContact CG-CE1 4.19Å; Y544-F551 HydrophobicContact CG-CZ 4.36Å; F551-F553 VanDerWaalsContact C-N 3.34Å |
| 552 | S | 57 | Low | 68 | Low | 42 Ų | 42 | 50.1 Ų | 50.1 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -27.3 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | L543 H545 A550 | L543-S552 PolarHBondContact O-N 2.91Å; H545-S552 WeakPolarHBondContact CB-OG 3.27Å; A550-S552 PolarHBondContact O-N 2.9Å |
| 553 | F | 55.4 | Low | 68.2 | Low | 72 Ų | 72 | 51.8 Ų | 51.8 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 146.8 | 178.8 | -147.4 | -109.6 | 0 | 0 | 0 | 113.8 | L543 F551 W555 F622 T625 | L543-F553 HydrophobicContact CB-CB 4.28Å; L543-F553 HydrophobicContact CD1-CB 4.3Å; L543-F553 PolarHBondContact N-O 3.23Å; L543-F553 PolarHBondContact O-N 3.3Å; F551-F553 VanDerWaalsContact C-N 3.34Å; F553-W555 HydrophobicContact CD1-CB 4.11Å; F553-W555 HydrophobicContact CE1-CB 4.37Å; F553-F622 HydrophobicContact CB-CE1 3.84Å; F553-F622 HydrophobicContact CB-CZ 4.1Å; F553-F622 HydrophobicContact CD2-CE1 4.21Å; F553-F622 HydrophobicContact CG-CE1 4.23Å; F553-F622 HydrophobicContact CG-CZ 4.42Å; F553-T625 HydrophobicContact CD1-CG2 4.08Å; F553-T625 HydrophobicContact CE1-CG2 4.44Å; F553-T625 VanDerWaalsContact CE1-OG1 3.28Å; F553-T625 WeakPolarHBondContact CE1-OG1 3.48Å |
| 554 | V | 53.1 | Low | 68.4 | Low | 89 Ų | 89 | 51.7 Ų | 51.7 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 107.6 | 164.2 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | L542 S556 | L542-V554 HydrophobicContact CD2-CB 4.12Å; L542-V554 HydrophobicContact CD2-CG1 3.79Å; L542-V554 HydrophobicContact CD2-CG2 3.91Å; V554-S556 PolarHBondContact O-N 2.89Å |
| 555 | W | 53.8 | Low | 68.7 | Low | 17 Ų | 17 | 52.7 Ų | 52.7 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 90.5 | 172.2 | -171.6 | 69.1 | 0 | 0 | 0 | 109.7 | V541 F553 V584 Q600 V602 E627 | V541-W555 HydrophobicContact CB-CE3 3.97Å; V541-W555 HydrophobicContact CG2-CE3 3.85Å; V541-W555 HydrophobicContact CG2-CZ3 4.12Å; V541-W555 PolarHBondContact N-O 3.37Å; V541-W555 CarbonylContact O-C 3.57Å; V541-W555 WeakPolarHBondContact O-CA 3.46Å; V541-W555 PolarHBondContact O-N 3.45Å; F553-W555 HydrophobicContact CD1-CB 4.11Å; F553-W555 HydrophobicContact CE1-CB 4.37Å; W555-V584 HydrophobicContact CZ3-CG2 4.33Å; W555-Q600 HydrophobicContact CH2-CB 4.29Å; W555-Q600 VanDerWaalsContact CH2-OE1 3.27Å; W555-V602 HydrophobicContact CD2-CG2 4.18Å; W555-V602 HydrophobicContact CE3-CG2 4.26Å; W555-V602 HydrophobicContact CH2-CG2 3.53Å; W555-V602 HydrophobicContact CZ2-CG2 3.5Å; W555-V602 HydrophobicContact CZ3-CG2 3.94Å; W555-E627 HydrophobicContact CZ2-CB 4.15Å; W555-E627 HydrophobicContact CZ2-CG 4.24Å |
| 556 | S | 46 | Very low | 69 | Low | 80 Ų | 80 | 55.3 Ų | 55.3 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | trans | -109.8 | 96.3 | 175.8 | -172.4 | 0 | 0 | 0 | 0 | 110 | V554 | V554-S556 PolarHBondContact O-N 2.89Š| ||
| 557 | V | 44.3 | Very low | 69.3 | Low | 83 Ų | 83 | 55.6 Ų | 55.6 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | trans | -137.7 | 97.4 | 155.8 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | K586 | V557-K586 PolarHBondContact O-NZ 2.97Š| ||
| 558 | A | 48.8 | Very low | 69.8 | Low | 21 Ų | 21 | 55.4 Ų | 55.4 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | trans | -169.6 | 102.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | D560 | A558-D560 VanDerWaalsContact CA-OD1 3.3Å; A558-D560 WeakPolarHBondContact CA-OD1 3.39Å; A558-D560 HydrophobicContact CB-CB 4.39Å | ||
| 559 | E | 51.1 | Low | 70.4 | Confident | 201 Ų | 201 | 53.3 Ų | 53.3 | 94% | 0.939 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -77 | -7.9 | 159.6 | -64.4 | -167.6 | 143.2 | 0 | 0 | 110.6 | G561 | E559-G561 VanDerWaalsContact C-N 3.32Å; E559-G561 PolarHBondContact O-N 3.06Å |
| 560 | D | 63.7 | Low | 71.2 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 32% | 0.316 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -65.9 | -25.3 | -176.8 | -44.4 | 61.3 | 0 | 0 | 0 | 114 | A558 H562 R632 | A558-D560 VanDerWaalsContact CA-OD1 3.3Å; A558-D560 WeakPolarHBondContact CA-OD1 3.39Å; A558-D560 HydrophobicContact CB-CB 4.39Å; D560-H562 PolarHBondContact O-CD2 3.44Å; D560-H562 VanDerWaalsContact O-CD2 3.26Å; D560-H562 PolarHBondContact O-N 3.44Å; D560-H562 PolarHBondContact O-NE2 3.17Å; D560-R632 IonicContact OD2-CZ 3.27Å; D560-R632 VanDerWaalsContact OD2-CZ 3.31Å; D560-R632 IonicContact OD2-NH1 2.68Å; D560-R632 PolarHBondContact OD2-NH1 3.34Å; D560-R632 IonicContact OD2-NH2 2.74Å; D560-R632 PolarHBondContact OD2-NH2 3.08Å |
| 561 | G | 71.4 | Confident | 72.1 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | trans | 67.8 | 27 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E559 | E559-G561 VanDerWaalsContact C-N 3.32Å; E559-G561 PolarHBondContact O-N 3.06Å | ||
| 562 | H | 85.9 | Confident | 73 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | trans | -84 | 138.5 | -179.8 | -58.1 | 159 | 0 | 0 | 0 | 112.4 | F538 G539 D560 V564 K586 Y587 R589 | F538-H562 CarbonylContact C-O 3.51Å; G539-H562 WeakPolarHBondContact CA-O 3.33Å; G539-H562 PolarHBondContact N-O 2.64Å; D560-H562 PolarHBondContact O-CD2 3.44Å; D560-H562 VanDerWaalsContact O-CD2 3.26Å; D560-H562 PolarHBondContact O-N 3.44Å; D560-H562 PolarHBondContact O-NE2 3.17Å; H562-V564 PolarHBondContact O-N 2.71Å; H562-K586 HydrophobicContact CB-CB 4.13Å; H562-Y587 CarbonylContact C-O 3.6Å; H562-R589 PolarHBondContact NE2-O 3.23Å | ||
| 563 | E | 90.8 | Very high | 73.9 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.6 | 178.2 | -172.3 | -156.4 | 136.2 | 0 | 0 | 110.8 | N537 T565 K586 Y587 K638 | N537-E563 HydrophobicContact CB-CG 4.32Å; N537-E563 WeakPolarHBondContact O-CA 3.49Å; E563-T565 HydrophobicContact CB-CG2 4.44Å; E563-T565 HydrophobicContact CG-CG2 4.35Å; E563-T565 WeakPolarHBondContact O-CG2 3.28Å; E563-T565 PolarHBondContact O-N 2.8Å; E563-K586 CarbonylContact O-C 3.51Å; E563-K586 VanDerWaalsContact O-CA 3.24Å; E563-K586 WeakPolarHBondContact O-CA 3.31Å; E563-Y587 WeakPolarHBondContact CB-O 3.46Å; E563-Y587 PolarHBondContact N-O 3.27Å; E563-Y587 PolarHBondContact O-N 2.88Å; E563-K638 IonicContact OE1-NZ 3.37Å; E563-K638 PolarHBondContact OE1-NZ 3.46Å; E563-K638 WeakPolarHBondContact OE2-CE 3.46Å; E563-K638 IonicContact OE2-NZ 3.19Å; E563-K638 PolarHBondContact OE2-NZ 3.4Å |
| 564 | V | 92 | Very high | 74.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.1 | 167.3 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | S521 A522 F536 V541 H562 F567 V584 S585 K586 | S521-V564 WeakPolarHBondContact CB-O 3.4Å; S521-V564 PolarHBondContact OG-O 2.79Å; A522-V564 HydrophobicContact CB-CG1 4.28Å; F536-V564 PolarHBondContact O-N 3.15Å; V541-V564 HydrophobicContact CG2-CG2 4.16Å; H562-V564 PolarHBondContact O-N 2.71Å; V564-F567 HydrophobicContact CG1-CE1 3.87Å; V564-F567 HydrophobicContact CG1-CE2 4.21Å; V564-F567 HydrophobicContact CG1-CZ 3.68Å; V564-V584 HydrophobicContact CG1-CG1 3.73Å; V564-V584 HydrophobicContact CG2-CG1 4.34Å; V564-S585 CarbonylContact C-O 3.56Å; V564-S585 WeakPolarHBondContact CA-O 3.39Å; V564-K586 HydrophobicContact CG2-CG 4.18Å |
| 565 | T | 93.1 | Very high | 75.3 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -25 | -169.4 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | E563 S585 Y587 K638 | E563-T565 HydrophobicContact CB-CG2 4.44Å; E563-T565 HydrophobicContact CG-CG2 4.35Å; E563-T565 WeakPolarHBondContact O-CG2 3.28Å; E563-T565 PolarHBondContact O-N 2.8Å; T565-S585 PolarHBondContact N-O 3.34Å; T565-S585 VanDerWaalsContact OG1-CB 3.27Å; T565-S585 WeakPolarHBondContact OG1-CB 3.26Å; T565-S585 PolarHBondContact OG1-OG 2.73Å; T565-Y587 VanDerWaalsContact CG2-CB 3.49Å; T565-K638 HydrophobicContact CG2-CD 3.69Å; T565-K638 HydrophobicContact CG2-CG 4.01Å |
| 566 | N | 92.8 | Very high | 76.1 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 161.1 | -174.4 | -151.9 | -14 | 0 | 0 | 0 | 111.1 | S585 | N566-S585 WeakPolarHBondContact O-CB 3.07Å; N566-S585 PolarHBondContact O-N 2.85Å |
| 567 | F | 93.1 | Very high | 77.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.7 | 176.3 | -67.2 | -69.5 | 0 | 0 | 0 | 111.5 | A522 L524 A533 V541 V564 L582 I583 V584 | A522-F567 HydrophobicContact CB-CD2 3.99Å; A522-F567 HydrophobicContact CB-CE2 3.79Å; L524-F567 HydrophobicContact CB-CB 3.72Å; L524-F567 HydrophobicContact CB-CD2 3.92Å; L524-F567 HydrophobicContact CB-CG 4.17Å; L524-F567 HydrophobicContact CD2-CB 3.5Å; L524-F567 VanDerWaalsContact CD2-CB 3.5Å; L524-F567 HydrophobicContact CG-CB 4.22Å; A533-F567 HydrophobicContact CB-CD2 4.37Å; A533-F567 HydrophobicContact CB-CE1 4.41Å; A533-F567 HydrophobicContact CB-CE2 4.12Å; A533-F567 HydrophobicContact CB-CZ 4.14Å; V541-F567 HydrophobicContact CG1-CE1 3.83Å; V541-F567 HydrophobicContact CG1-CZ 3.76Å; V541-F567 HydrophobicContact CG2-CE1 3.87Å; V541-F567 HydrophobicContact CG2-CZ 4.03Å; V564-F567 HydrophobicContact CG1-CE1 3.87Å; V564-F567 HydrophobicContact CG1-CE2 4.21Å; V564-F567 HydrophobicContact CG1-CZ 3.68Å; F567-L582 HydrophobicContact CB-CD1 4.26Å; F567-L582 HydrophobicContact CD1-CD1 3.97Å; F567-L582 HydrophobicContact CD1-CD2 4.46Å; F567-L582 HydrophobicContact CD1-CG 4.39Å; F567-L582 HydrophobicContact CE1-CD2 4.49Å; F567-L582 HydrophobicContact CG-CD1 4.43Å; F567-I583 CarbonylContact C-O 3.52Å; F567-I583 WeakPolarHBondContact CA-O 3.33Å; F567-V584 HydrophobicContact CD1-CB 4.38Å; F567-V584 HydrophobicContact CD1-CG1 4.22Å; F567-V584 HydrophobicContact CD1-CG2 4.05Å; F567-V584 HydrophobicContact CE1-CB 4.38Å; F567-V584 HydrophobicContact CE1-CG1 3.88Å; F567-V584 HydrophobicContact CE1-CG2 3.97Å |
| 568 | C | 92.5 | Very high | 79.5 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.095 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147.4 | 166.4 | -153.4 | 0 | 0 | 0 | 0 | 110.5 | I583 I641 | C568-I583 HydrophobicContact CB-CB 4.45Å; C568-I583 PolarHBondContact N-O 3.42Å; C568-I583 PolarHBondContact O-N 2.91Å; C568-I641 HydrophobicContact CB-CB 4.49Å; C568-I641 HydrophobicContact CB-CG2 3.64Å |
| 569 | L | 90.7 | Very high | 81.4 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.2 | 178.2 | -83.7 | 162.5 | 0 | 0 | 0 | 110.6 | L524 S526 I580 L582 L604 T643 | L524-L569 HydrophobicContact CD2-CD1 3.89Å; L524-L569 HydrophobicContact CD2-CG 4.01Å; L524-L569 HydrophobicContact CG-CD1 4.47Å; S526-L569 VanDerWaalsContact CB-CD1 3.46Å; L569-I580 HydrophobicContact CD2-CG2 3.79Å; L569-L582 HydrophobicContact CD2-CB 3.87Å; L569-L582 HydrophobicContact CD2-CD1 3.89Å; L569-L582 HydrophobicContact CD2-CG 4.49Å; L569-L582 HydrophobicContact CG-CD1 3.85Å; L569-L604 HydrophobicContact CD2-CD1 3.8Å; L569-T643 WeakPolarHBondContact O-CG2 3.36Å |
| 570 | V | 89.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.4 | -178.1 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | I580 Y581 T643 P660 V662 V680 | V570-I580 WeakPolarHBondContact O-CG2 3.3Å; V570-Y581 PolarHBondContact N-O 2.87Å; V570-Y581 PolarHBondContact O-N 3.33Å; V570-T643 HydrophobicContact CB-CG2 3.69Å; V570-T643 HydrophobicContact CG2-CG2 3.89Å; V570-P660 HydrophobicContact CG2-CB 3.82Å; V570-V662 HydrophobicContact CB-CG2 4.05Å; V570-V662 HydrophobicContact CG1-CG2 4.05Å; V570-V662 HydrophobicContact CG2-CG2 4.24Å; V570-V680 HydrophobicContact CB-CG2 4.4Å; V570-V680 HydrophobicContact CG1-CG2 3.72Å; V570-V680 HydrophobicContact CG2-CG2 3.8Å |
| 571 | E | 86.2 | Confident | 84.5 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | trans | -88.8 | 119.3 | 176.7 | -170.8 | -176.8 | 159.1 | 0 | 0 | 109.7 | Q528 I580 K609 N617 Y619 P660 | Q528-E571 PolarHBondContact NE2-OE2 2.89Å; E571-I580 HydrophobicContact CG-CG1 4.45Å; E571-K609 WeakPolarHBondContact OE1-CE 3.07Å; E571-K609 IonicContact OE1-NZ 3.46Å; E571-K609 PolarHBondContact OE1-NZ 2.83Å; E571-N617 PolarHBondContact OE1-ND2 2.89Å; E571-Y619 WeakPolarHBondContact CG-OH 3.14Å; E571-Y619 PolarHBondContact OE1-OH 3.31Å; E571-P660 WeakPolarHBondContact O-CB 3.35Å; E571-P660 VanDerWaalsContact O-CG 3.23Å; E571-P660 WeakPolarHBondContact O-CG 3.31Å | ||
| 572 | P | 82.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | trans | -69.9 | 155.9 | 174.6 | 30.5 | -35.9 | 0 | 0 | 0 | 111.7 | N575 V579 Y581 V680 | P572-N575 HydrophobicContact CG-CB 3.77Å; P572-V579 WeakPolarHBondContact CD-O 3.47Å; P572-Y581 HydrophobicContact CB-CE2 4.04Å; P572-Y581 HydrophobicContact CG-CD2 4.27Å; P572-Y581 HydrophobicContact CG-CE2 3.81Å; P572-V680 HydrophobicContact CB-CG1 4.27Å | ||
| 573 | E | 74.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 41.2 Ų | 41.2 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -70.4 | -49.3 | -173.6 | 179 | 155.1 | -130.8 | 0 | 0 | 113.8 | K646 P660 N681 | E573-K646 VanDerWaalsContact CD-NZ 3.29Å; E573-K646 IonicContact OE1-NZ 3.78Å; E573-K646 PolarHBondContact OE1-NZ 3.3Å; E573-P660 HydrophobicContact CB-CG 4.46Å; E573-N681 WeakPolarHBondContact CB-ND2 3.38Å; E573-N681 PolarHBondContact N-OD1 2.89Å; E573-N681 VanDerWaalsContact N-OD1 3.12Å; E573-N681 PolarHBondContact OE2-ND2 3.37Å |
| 574 | E | 69.4 | Low | 86 | Confident | 146 Ų | 146 | 38.6 Ų | 38.6 | 68% | 0.682 | 19% | 0.192 | S | C | * | . | trans | -124.1 | 129.2 | 163.8 | -74.4 | -157.8 | 175.9 | 0 | 0 | 109.3 | ||||
| 575 | N | 68.7 | Low | 86 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | trans | -138.3 | 123.5 | 166 | -172.8 | -64.4 | 0 | 0 | 0 | 109.9 | P572 R577 V579 Y581 | P572-N575 HydrophobicContact CG-CB 3.77Å; N575-R577 PolarHBondContact O-N 2.89Å; N575-R577 VanDerWaalsContact O-N 3.15Å; N575-R577 PolarHBondContact OD1-N 2.94Å; N575-V579 WeakPolarHBondContact OD1-CG2 3.47Å; N575-Y581 PolarHBondContact ND2-OH 2.89Å | ||
| 576 | P | 70.5 | Confident | 86 | Confident | 107 Ų | 107 | 37.4 Ų | 37.4 | 70% | 0.695 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 0.4 | -173.5 | 31.8 | -36.7 | 0 | 0 | 0 | 114.4 | Y684 | P576-Y684 WeakPolarHBondContact CD-OH 3.43Š|
| 577 | R | 74.6 | Confident | 85.9 | Confident | 172 Ų | 172 | 37.2 Ų | 37.2 | 65% | 0.649 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 17.7 | -178.3 | -60.4 | -175.4 | -175.3 | -177.7 | 3 | 113.5 | N575 V579 | N575-R577 PolarHBondContact O-N 2.89Å; N575-R577 VanDerWaalsContact O-N 3.15Å; N575-R577 PolarHBondContact OD1-N 2.94Å; R577-V579 HydrophobicContact CB-CG2 3.95Å; R577-V579 PolarHBondContact O-N 2.97Å |
| 578 | N | 87.5 | Confident | 85.7 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | 49.9 | 53.3 | -178 | -59.9 | -32.2 | 0 | 0 | 0 | 112.6 | F606 V607 K609 Y619 | N578-F606 HydrophobicContact CB-CB 4.43Å; N578-F606 PolarHBondContact O-N 3.06Å; N578-V607 PolarHBondContact ND2-O 3.42Å; N578-V607 VanDerWaalsContact ND2-O 3.15Å; N578-K609 HydrophobicContact CB-CB 4.18Å; N578-K609 WeakPolarHBondContact OD1-CB 3.5Å; N578-Y619 HydrophobicContact CB-CD1 4.28Å; N578-Y619 HydrophobicContact CB-CE1 4.14Å; N578-Y619 WeakPolarHBondContact O-CD1 3.23Å; N578-Y619 WeakPolarHBondContact O-CE1 3.24Å | ||
| 579 | V | 87.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 145.1 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | P572 N575 R577 Y581 D603 L604 Q605 | P572-V579 WeakPolarHBondContact CD-O 3.47Å; N575-V579 WeakPolarHBondContact OD1-CG2 3.47Å; R577-V579 HydrophobicContact CB-CG2 3.95Å; R577-V579 PolarHBondContact O-N 2.97Å; V579-Y581 HydrophobicContact CG1-CD1 4.11Å; V579-Y581 HydrophobicContact CG1-CE1 3.75Å; V579-Y581 HydrophobicContact CG1-CE2 4.4Å; V579-D603 HydrophobicContact CG1-CB 3.78Å; V579-L604 WeakPolarHBondContact CA-O 3.49Å; V579-Q605 HydrophobicContact CG2-CG 4.21Å |
| 580 | I | 89.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149.6 | 159 | -61.4 | 178.7 | 0 | 0 | 0 | 107.1 | Q528 T529 L569 V570 E571 L604 Y619 | Q528-I580 HydrophobicContact CB-CD1 4.39Å; T529-I580 HydrophobicContact CG2-CD1 3.66Å; L569-I580 HydrophobicContact CD2-CG2 3.79Å; V570-I580 WeakPolarHBondContact O-CG2 3.3Å; E571-I580 HydrophobicContact CG-CG1 4.45Å; I580-L604 PolarHBondContact N-O 2.72Å; I580-L604 VanDerWaalsContact N-O 3.16Å; I580-L604 WeakPolarHBondContact O-CB 3.27Å; I580-L604 PolarHBondContact O-N 2.93Å; I580-Y619 HydrophobicContact CD1-CD1 4.2Å; I580-Y619 HydrophobicContact CD1-CD2 3.7Å; I580-Y619 HydrophobicContact CD1-CE1 4.08Å; I580-Y619 HydrophobicContact CD1-CE2 3.61Å; I580-Y619 HydrophobicContact CD1-CG 4Å; I580-Y619 HydrophobicContact CG1-CD1 4.19Å; I580-Y619 HydrophobicContact CG1-CD2 4.38Å; I580-Y619 HydrophobicContact CG1-CE1 3.7Å; I580-Y619 HydrophobicContact CG1-CE2 3.96Å; I580-Y619 HydrophobicContact CG1-CG 4.48Å |
| 581 | Y | 91.4 | Very high | 82.7 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128 | 175.6 | -57.5 | -75.8 | 0 | 0 | 0 | 111.4 | V570 P572 N575 V579 V601 V602 D603 V680 W683 | V570-Y581 PolarHBondContact N-O 2.87Å; V570-Y581 PolarHBondContact O-N 3.33Å; P572-Y581 HydrophobicContact CB-CE2 4.04Å; P572-Y581 HydrophobicContact CG-CD2 4.27Å; P572-Y581 HydrophobicContact CG-CE2 3.81Å; N575-Y581 PolarHBondContact ND2-OH 2.89Å; V579-Y581 HydrophobicContact CG1-CD1 4.11Å; V579-Y581 HydrophobicContact CG1-CE1 3.75Å; V579-Y581 HydrophobicContact CG1-CE2 4.4Å; Y581-V601 HydrophobicContact CD1-CG1 4.13Å; Y581-V601 HydrophobicContact CG-CG1 4.24Å; Y581-V602 WeakPolarHBondContact CA-O 3.13Å; Y581-D603 HydrophobicContact CD1-CB 3.9Å; Y581-D603 HydrophobicContact CE1-CB 3.83Å; Y581-V680 HydrophobicContact CD2-CG1 3.53Å; Y581-V680 HydrophobicContact CE2-CG1 3.63Å; Y581-W683 HydrophobicContact CD1-CH2 4.31Å; Y581-W683 HydrophobicContact CD1-CZ3 4.03Å; Y581-W683 HydrophobicContact CD2-CZ3 4.47Å; Y581-W683 AromaticContact CE1-CH2 3.92Å; Y581-W683 HydrophobicContact CE1-CH2 3.92Å; Y581-W683 AromaticContact CE1-CZ3 3.62Å; Y581-W683 HydrophobicContact CE1-CZ3 3.62Å; Y581-W683 HydrophobicContact CE2-CZ3 4.1Å; Y581-W683 HydrophobicContact CG-CZ3 4.43Å; Y581-W683 AromaticContact CZ-CZ3 3.65Å |
| 582 | L | 92.8 | Very high | 81.4 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.2 | 168.4 | 177 | 66 | 0 | 0 | 0 | 108.4 | L524 A533 L543 F567 L569 V584 V602 L604 | L524-L582 HydrophobicContact CD2-CD1 4.37Å; A533-L582 HydrophobicContact CB-CD2 4.5Å; L543-L582 HydrophobicContact CD2-CD2 4.07Å; F567-L582 HydrophobicContact CB-CD1 4.26Å; F567-L582 HydrophobicContact CD1-CD1 3.97Å; F567-L582 HydrophobicContact CD1-CD2 4.46Å; F567-L582 HydrophobicContact CD1-CG 4.39Å; F567-L582 HydrophobicContact CE1-CD2 4.49Å; F567-L582 HydrophobicContact CG-CD1 4.43Å; L569-L582 HydrophobicContact CD2-CB 3.87Å; L569-L582 HydrophobicContact CD2-CD1 3.89Å; L569-L582 HydrophobicContact CD2-CG 4.49Å; L569-L582 HydrophobicContact CG-CD1 3.85Å; L582-V584 HydrophobicContact CD2-CG2 4.28Å; L582-V584 HydrophobicContact CG-CG2 4.13Å; L582-V602 HydrophobicContact CB-CB 4.49Å; L582-V602 PolarHBondContact N-O 3.21Å; L582-V602 PolarHBondContact O-N 3.49Å; L582-L604 HydrophobicContact CB-CD1 4.13Å; L582-L604 HydrophobicContact CB-CD2 4.28Å; L582-L604 HydrophobicContact CB-CG 4.15Å |
| 583 | I | 93.5 | Very high | 80.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131 | 169.6 | -54.8 | -156 | 0 | 0 | 0 | 108.6 | F567 C568 I599 Q600 V601 I641 V662 | F567-I583 CarbonylContact C-O 3.52Å; F567-I583 WeakPolarHBondContact CA-O 3.33Å; C568-I583 HydrophobicContact CB-CB 4.45Å; C568-I583 PolarHBondContact N-O 3.42Å; C568-I583 PolarHBondContact O-N 2.91Å; I583-I599 HydrophobicContact CG2-CG2 3.78Å; I583-Q600 CarbonylContact C-O 3.53Å; I583-Q600 WeakPolarHBondContact CA-O 3.35Å; I583-V601 HydrophobicContact CD1-CG2 3.93Å; I583-V601 HydrophobicContact CG1-CG1 4.35Å; I583-V601 HydrophobicContact CG1-CG2 4.06Å; I583-I641 HydrophobicContact CG2-CD1 4.18Å; I583-V662 HydrophobicContact CD1-CB 4.05Å; I583-V662 HydrophobicContact CD1-CG1 4.14Å; I583-V662 HydrophobicContact CD1-CG2 3.73Å |
| 584 | V | 92.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.4 | -177.9 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | V541 W555 V564 F567 L582 K586 Q600 V602 | V541-V584 HydrophobicContact CG2-CG1 4.11Å; V541-V584 HydrophobicContact CG2-CG2 4.49Å; W555-V584 HydrophobicContact CZ3-CG2 4.33Å; V564-V584 HydrophobicContact CG1-CG1 3.73Å; V564-V584 HydrophobicContact CG2-CG1 4.34Å; F567-V584 HydrophobicContact CD1-CB 4.38Å; F567-V584 HydrophobicContact CD1-CG1 4.22Å; F567-V584 HydrophobicContact CD1-CG2 4.05Å; F567-V584 HydrophobicContact CE1-CB 4.38Å; F567-V584 HydrophobicContact CE1-CG1 3.88Å; F567-V584 HydrophobicContact CE1-CG2 3.97Å; L582-V584 HydrophobicContact CD2-CG2 4.28Å; L582-V584 HydrophobicContact CG-CG2 4.13Å; V584-K586 HydrophobicContact CG1-CG 4.37Å; V584-Q600 HydrophobicContact CB-CB 4.45Å; V584-Q600 PolarHBondContact N-O 2.89Å; V584-Q600 PolarHBondContact O-N 2.81Å; V584-V602 HydrophobicContact CG2-CG2 4.26Å |
| 585 | S | 93.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.9 | 167.9 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | V564 T565 N566 | V564-S585 CarbonylContact C-O 3.56Å; V564-S585 WeakPolarHBondContact CA-O 3.39Å; T565-S585 PolarHBondContact N-O 3.34Å; T565-S585 VanDerWaalsContact OG1-CB 3.27Å; T565-S585 WeakPolarHBondContact OG1-CB 3.26Å; T565-S585 PolarHBondContact OG1-OG 2.73Å; N566-S585 WeakPolarHBondContact O-CB 3.07Å; N566-S585 PolarHBondContact O-N 2.85Å |
| 586 | K | 91.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149 | 170 | -76.1 | 175.3 | 177.3 | 173.9 | 0 | 110.2 | G539 V557 H562 E563 V564 V584 A597 E598 Q600 | G539-K586 WeakPolarHBondContact O-CE 3.41Å; G539-K586 PolarHBondContact O-NZ 3.15Å; G539-K586 VanDerWaalsContact O-NZ 3.08Å; V557-K586 PolarHBondContact O-NZ 2.97Å; H562-K586 HydrophobicContact CB-CB 4.13Å; E563-K586 CarbonylContact O-C 3.51Å; E563-K586 VanDerWaalsContact O-CA 3.24Å; E563-K586 WeakPolarHBondContact O-CA 3.31Å; V564-K586 HydrophobicContact CG2-CG 4.18Å; V584-K586 HydrophobicContact CG1-CG 4.37Å; K586-A597 CarbonylContact O-C 3.56Å; K586-A597 VanDerWaalsContact O-CA 3.3Å; K586-A597 WeakPolarHBondContact O-CA 3.48Å; K586-E598 HydrophobicContact CB-CB 4.12Å; K586-E598 PolarHBondContact N-O 2.83Å; K586-E598 PolarHBondContact O-N 3.01Å; K586-Q600 VanDerWaalsContact CE-OE1 3.28Å |
| 587 | Y | 91.6 | Very high | 82.6 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137.9 | 174.2 | 176.2 | -100.4 | 0 | 0 | 0 | 110.3 | H562 E563 T565 F595 G596 A597 C636 K638 | H562-Y587 CarbonylContact C-O 3.6Å; E563-Y587 WeakPolarHBondContact CB-O 3.46Å; E563-Y587 PolarHBondContact N-O 3.27Å; E563-Y587 PolarHBondContact O-N 2.88Å; T565-Y587 VanDerWaalsContact CG2-CB 3.49Å; Y587-F595 AromaticContact CE1-CD1 3.9Å; Y587-F595 HydrophobicContact CE1-CD1 3.9Å; Y587-F595 HydrophobicContact CE1-CE1 4.37Å; Y587-F595 HydrophobicContact CE2-CB 4.46Å; Y587-F595 AromaticContact CZ-CD1 3.76Å; Y587-G596 WeakPolarHBondContact CA-O 3.32Å; Y587-G596 WeakPolarHBondContact CD2-O 3.37Å; Y587-A597 HydrophobicContact CD2-CB 4.29Å; Y587-C636 WeakPolarHBondContact CE2-O 3.47Å; Y587-K638 HydrophobicContact CD1-CD 4.44Å; Y587-K638 HydrophobicContact CD1-CG 3.94Å; Y587-K638 HydrophobicContact CD2-CG 3.98Å; Y587-K638 HydrophobicContact CE1-CG 4.5Å; Y587-K638 HydrophobicContact CG-CG 3.65Å |
| 588 | G | 87.5 | Confident | 83.2 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -163.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | F595 G596 | G588-F595 WeakPolarHBondContact O-CA 3.45Å; G588-F595 WeakPolarHBondContact O-CD1 3.35Å; G588-G596 PolarHBondContact N-O 3.35Å; G588-G596 PolarHBondContact O-N 3.13Å |
| 589 | R | 79.9 | Confident | 83.3 | Confident | 162 Ų | 162 | 33.9 Ų | 33.9 | 61% | 0.611 | 16% | 0.162 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.5 | 178.1 | -160.7 | 175 | -169.8 | -173.2 | -0.5 | 109.9 | H562 G593 Y594 F595 | H562-R589 PolarHBondContact NE2-O 3.23Å; R589-G593 PolarHBondContact NE-O 3.37Å; R589-G593 PolarHBondContact NH2-O 2.97Å; R589-Y594 CarbonylContact C-O 3.59Å; R589-Y594 WeakPolarHBondContact CA-O 2.99Å; R589-Y594 WeakPolarHBondContact CG-O 3.14Å; R589-F595 HydrophobicContact CB-CE1 4.3Å; R589-F595 HydrophobicContact CB-CZ 4.35Å |
| 590 | L | 66.3 | Low | 83.4 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | -78.8 | 167.6 | -178.2 | -67.2 | 168 | 0 | 0 | 0 | 111 | S592 G593 Y594 E634 | L590-S592 VanDerWaalsContact C-N 3.28Å; L590-S592 PolarHBondContact O-N 3.19Å; L590-G593 WeakPolarHBondContact O-CA 3.29Å; L590-G593 PolarHBondContact O-N 2.62Å; L590-Y594 PolarHBondContact N-O 3.08Å; L590-E634 HydrophobicContact CD1-CB 4.39Å; L590-E634 HydrophobicContact CD1-CG 3.47Å; L590-E634 VanDerWaalsContact CD1-CG 3.47Å | ||
| 591 | L | 64.7 | Low | 83.4 | Confident | 145 Ų | 145 | 34.3 Ų | 34.3 | 76% | 0.759 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.1 | -175.4 | -68 | 174 | 0 | 0 | 0 | 112.7 | G593 | L591-G593 PolarHBondContact O-N 3.14Å; L591-G593 VanDerWaalsContact O-N 3.13Å |
| 592 | S | 59.4 | Low | 83.3 | Confident | 40 Ų | 40 | 34 Ų | 34 | 28% | 0.28 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.6 | 167 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | E307 L590 Y594 E634 | E307-S592 PolarHBondContact OE1-N 3.13Å; L590-S592 VanDerWaalsContact C-N 3.28Å; L590-S592 PolarHBondContact O-N 3.19Å; S592-Y594 VanDerWaalsContact C-N 3.34Å; S592-E634 WeakPolarHBondContact CB-OE1 3.03Å; S592-E634 PolarHBondContact OG-OE1 3.03Å |
| 593 | G | 66.8 | Low | 83.2 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 88 | -4.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | R589 L590 L591 | R589-G593 PolarHBondContact NE-O 3.37Å; R589-G593 PolarHBondContact NH2-O 2.97Å; L590-G593 WeakPolarHBondContact O-CA 3.29Å; L590-G593 PolarHBondContact O-N 2.62Å; L591-G593 PolarHBondContact O-N 3.14Å; L591-G593 VanDerWaalsContact O-N 3.13Å |
| 594 | Y | 72 | Confident | 83 | Confident | 132 Ų | 132 | 34.4 Ų | 34.4 | 52% | 0.518 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -79.6 | 167.1 | 171.3 | -69.4 | -90.5 | 0 | 0 | 0 | 111.5 | R589 L590 S592 D635 | R589-Y594 CarbonylContact C-O 3.59Å; R589-Y594 WeakPolarHBondContact CA-O 2.99Å; R589-Y594 WeakPolarHBondContact CG-O 3.14Å; L590-Y594 PolarHBondContact N-O 3.08Å; S592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-D635 VanDerWaalsContact CD1-OD1 3.25Å; Y594-D635 WeakPolarHBondContact CD1-OD1 3.26Å |
| 595 | F | 81.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 36.5 Ų | 36.5 | 46% | 0.461 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 151.2 | 164.9 | -84.9 | -89.7 | 0 | 0 | 0 | 109.9 | Y587 G588 R589 D635 | Y587-F595 AromaticContact CE1-CD1 3.9Å; Y587-F595 HydrophobicContact CE1-CD1 3.9Å; Y587-F595 HydrophobicContact CE1-CE1 4.37Å; Y587-F595 HydrophobicContact CE2-CB 4.46Å; Y587-F595 AromaticContact CZ-CD1 3.76Å; G588-F595 WeakPolarHBondContact O-CA 3.45Å; G588-F595 WeakPolarHBondContact O-CD1 3.35Å; R589-F595 HydrophobicContact CB-CE1 4.3Å; R589-F595 HydrophobicContact CB-CZ 4.35Å; F595-D635 PolarHBondContact O-N 2.83Å |
| 596 | G | 83.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 179 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y587 G588 A633 | Y587-G596 WeakPolarHBondContact CA-O 3.32Å; Y587-G596 WeakPolarHBondContact CD2-O 3.37Å; G588-G596 PolarHBondContact N-O 3.35Å; G588-G596 PolarHBondContact O-N 3.13Å; G596-A633 CarbonylContact C-O 3.58Å; G596-A633 WeakPolarHBondContact CA-O 3.27Å |
| 597 | A | 86.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K586 Y587 A633 E637 F639 | K586-A597 CarbonylContact O-C 3.56Å; K586-A597 VanDerWaalsContact O-CA 3.3Å; K586-A597 WeakPolarHBondContact O-CA 3.48Å; Y587-A597 HydrophobicContact CD2-CB 4.29Å; A597-A633 PolarHBondContact N-O 3.48Å; A597-A633 PolarHBondContact O-N 3.06Å; A597-E637 WeakPolarHBondContact CB-O 3.48Å; A597-F639 HydrophobicContact CB-CD2 3.37Å; A597-F639 HydrophobicContact CB-CE2 3.52Å; A597-F639 HydrophobicContact CB-CG 4.26Å; A597-F639 HydrophobicContact CB-CZ 4.5Å |
| 598 | E | 86.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.2 | -179.7 | 169.1 | 167.8 | -137.8 | 0 | 0 | 110.5 | K586 Q600 S630 M631 R632 | K586-E598 HydrophobicContact CB-CB 4.12Å; K586-E598 PolarHBondContact N-O 2.83Å; K586-E598 PolarHBondContact O-N 3.01Å; E598-Q600 HydrophobicContact CG-CG 3.86Å; E598-Q600 PolarHBondContact OE1-NE2 3.01Å; E598-Q600 PolarHBondContact OE2-NE2 2.54Å; E598-Q600 VanDerWaalsContact OE2-NE2 3.09Å; E598-S630 PolarHBondContact OE1-OG 3.23Å; E598-M631 CarbonylContact C-O 3.59Å; E598-M631 WeakPolarHBondContact CA-O 3.28Å; E598-R632 HydrophobicContact CB-CG 4.02Å; E598-R632 VanDerWaalsContact CD-NH2 3.32Å; E598-R632 HydrophobicContact CG-CG 3.97Å; E598-R632 IonicContact OE1-CZ 3.66Å; E598-R632 IonicContact OE1-NE 2.69Å; E598-R632 PolarHBondContact OE1-NE 2.73Å; E598-R632 IonicContact OE1-NH2 3.4Å; E598-R632 PolarHBondContact OE1-NH2 3.21Å; E598-R632 VanDerWaalsContact OE1-NH2 3.16Å; E598-R632 IonicContact OE2-CZ 3.72Å; E598-R632 IonicContact OE2-NE 2.62Å; E598-R632 PolarHBondContact OE2-NE 3.09Å; E598-R632 IonicContact OE2-NH2 2.63Å; E598-R632 PolarHBondContact OE2-NH2 3.09Å |
| 599 | I | 89.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.5 | 172.5 | -62.7 | -65.4 | 0 | 0 | 0 | 107.9 | I583 S630 M631 F639 I641 F664 | I583-I599 HydrophobicContact CG2-CG2 3.78Å; I599-S630 WeakPolarHBondContact O-CA 3.22Å; I599-M631 PolarHBondContact N-O 3.42Å; I599-M631 PolarHBondContact O-N 3.38Å; I599-F639 HydrophobicContact CD1-CB 3.93Å; I599-F639 HydrophobicContact CD1-CD2 3.53Å; I599-F639 HydrophobicContact CD1-CE2 4.2Å; I599-F639 HydrophobicContact CD1-CG 3.82Å; I599-F639 HydrophobicContact CG1-CD2 3.63Å; I599-F639 HydrophobicContact CG1-CE2 3.76Å; I599-F639 HydrophobicContact CG1-CG 4.25Å; I599-F639 HydrophobicContact CG1-CZ 4.47Å; I599-I641 HydrophobicContact CD1-CD1 3.44Å; I599-I641 VanDerWaalsContact CD1-CD1 3.44Å; I599-I641 HydrophobicContact CD1-CG1 4.21Å; I599-F664 HydrophobicContact CB-CE2 4.45Å; I599-F664 HydrophobicContact CD1-CD2 4.03Å; I599-F664 HydrophobicContact CD1-CE2 4.36Å; I599-F664 HydrophobicContact CD1-CG 4.3Å; I599-F664 HydrophobicContact CG1-CD2 3.8Å; I599-F664 HydrophobicContact CG1-CE2 3.63Å; I599-F664 HydrophobicContact CG1-CG 4.42Å; I599-F664 HydrophobicContact CG1-CZ 4.12Å; I599-F664 HydrophobicContact CG2-CE1 4.42Å; I599-F664 HydrophobicContact CG2-CZ 4.27Å |
| 600 | Q | 89.4 | Confident | 82.5 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134 | 174.9 | -77.9 | 170 | -10.9 | 0 | 0 | 110.3 | W555 I583 V584 K586 E598 F629 | W555-Q600 HydrophobicContact CH2-CB 4.29Å; W555-Q600 VanDerWaalsContact CH2-OE1 3.27Å; I583-Q600 CarbonylContact C-O 3.53Å; I583-Q600 WeakPolarHBondContact CA-O 3.35Å; V584-Q600 HydrophobicContact CB-CB 4.45Å; V584-Q600 PolarHBondContact N-O 2.89Å; V584-Q600 PolarHBondContact O-N 2.81Å; K586-Q600 VanDerWaalsContact CE-OE1 3.28Å; E598-Q600 HydrophobicContact CG-CG 3.86Å; E598-Q600 PolarHBondContact OE1-NE2 3.01Å; E598-Q600 PolarHBondContact OE2-NE2 2.54Å; E598-Q600 VanDerWaalsContact OE2-NE2 3.09Å; Q600-F629 CarbonylContact C-O 3.54Å; Q600-F629 WeakPolarHBondContact CA-O 3.01Å |
| 601 | V | 91.4 | Very high | 83.2 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.5 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | Y581 I583 S628 F629 W683 | Y581-V601 HydrophobicContact CD1-CG1 4.13Å; Y581-V601 HydrophobicContact CG-CG1 4.24Å; I583-V601 HydrophobicContact CD1-CG2 3.93Å; I583-V601 HydrophobicContact CG1-CG1 4.35Å; I583-V601 HydrophobicContact CG1-CG2 4.06Å; V601-S628 PolarHBondContact O-N 2.74Å; V601-F629 HydrophobicContact CB-CB 4.04Å; V601-F629 HydrophobicContact CG2-CB 4.09Å; V601-F629 HydrophobicContact CG2-CD1 3.94Å; V601-F629 HydrophobicContact CG2-CG 4.47Å; V601-F629 PolarHBondContact N-O 2.79Å; V601-F629 PolarHBondContact O-N 3Å; V601-W683 HydrophobicContact CG1-CH2 4.35Å |
| 602 | V | 89.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.5 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | W555 Y581 L582 V584 T625 | W555-V602 HydrophobicContact CD2-CG2 4.18Å; W555-V602 HydrophobicContact CE3-CG2 4.26Å; W555-V602 HydrophobicContact CH2-CG2 3.53Å; W555-V602 HydrophobicContact CZ2-CG2 3.5Å; W555-V602 HydrophobicContact CZ3-CG2 3.94Å; Y581-V602 WeakPolarHBondContact CA-O 3.13Å; L582-V602 HydrophobicContact CB-CB 4.49Å; L582-V602 PolarHBondContact N-O 3.21Å; L582-V602 PolarHBondContact O-N 3.49Å; V584-V602 HydrophobicContact CG2-CG2 4.26Å; V602-T625 HydrophobicContact CG1-CG2 4Å |
| 603 | D | 89.2 | Confident | 84.3 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 140.7 | 172.2 | 82.5 | 18.1 | 0 | 0 | 0 | 111 | V579 Y581 Q605 T625 R626 | V579-D603 HydrophobicContact CG1-CB 3.78Å; Y581-D603 HydrophobicContact CD1-CB 3.9Å; Y581-D603 HydrophobicContact CE1-CB 3.83Å; D603-Q605 VanDerWaalsContact CG-NE2 3.26Å; D603-Q605 WeakPolarHBondContact OD1-CG 3.16Å; D603-Q605 PolarHBondContact OD1-NE2 2.93Å; D603-Q605 PolarHBondContact OD2-NE2 2.67Å; D603-T625 WeakPolarHBondContact O-CA 3.2Å; D603-T625 WeakPolarHBondContact O-CB 3.22Å; D603-T625 WeakPolarHBondContact O-CG2 3.47Å; D603-R626 PolarHBondContact N-O 2.92Å; D603-R626 WeakPolarHBondContact OD1-CB 3.25Å; D603-R626 PolarHBondContact OD1-N 2.83Å |
| 604 | L | 89.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 109.5 | 172 | -55.2 | -174.6 | 0 | 0 | 0 | 107.2 | L543 L569 V579 I580 L582 F606 F622 T625 | L543-L604 HydrophobicContact CD1-CD2 3.72Å; L569-L604 HydrophobicContact CD2-CD1 3.8Å; V579-L604 WeakPolarHBondContact CA-O 3.49Å; I580-L604 PolarHBondContact N-O 2.72Å; I580-L604 VanDerWaalsContact N-O 3.16Å; I580-L604 WeakPolarHBondContact O-CB 3.27Å; I580-L604 PolarHBondContact O-N 2.93Å; L582-L604 HydrophobicContact CB-CD1 4.13Å; L582-L604 HydrophobicContact CB-CD2 4.28Å; L582-L604 HydrophobicContact CB-CG 4.15Å; L604-F606 HydrophobicContact CB-CE2 3.69Å; L604-F606 HydrophobicContact CB-CZ 4.28Å; L604-F606 WeakPolarHBondContact O-CD2 3.46Å; L604-F606 WeakPolarHBondContact O-CE2 3.23Å; L604-F622 HydrophobicContact CB-CE2 4.26Å; L604-F622 HydrophobicContact CD2-CE2 4.26Å; L604-T625 HydrophobicContact CD2-CG2 3.6Å |
| 605 | Q | 89.7 | Confident | 84.4 | Confident | 43 Ų | 43 | 48 Ų | 48 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.1 | -172.5 | -51.8 | -174.2 | 22.5 | 0 | 0 | 111 | V579 D603 V623 G624 | V579-Q605 HydrophobicContact CG2-CG 4.21Å; D603-Q605 VanDerWaalsContact CG-NE2 3.26Å; D603-Q605 WeakPolarHBondContact OD1-CG 3.16Å; D603-Q605 PolarHBondContact OD1-NE2 2.93Å; D603-Q605 PolarHBondContact OD2-NE2 2.67Å; Q605-V623 HydrophobicContact CB-CB 4.2Å; Q605-V623 PolarHBondContact O-N 3.01Å; Q605-G624 PolarHBondContact N-O 3.06Å; Q605-G624 VanDerWaalsContact N-O 3.08Å |
| 606 | F | 89.5 | Confident | 84.1 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.6 | -176.7 | -63.4 | -93.5 | 0 | 0 | 0 | 111.1 | T529 I531 N578 L604 Y619 D621 F622 | T529-F606 HydrophobicContact CG2-CE1 4.21Å; T529-F606 HydrophobicContact CG2-CE2 3.85Å; T529-F606 HydrophobicContact CG2-CZ 3.39Å; I531-F606 HydrophobicContact CD1-CE1 4.27Å; I531-F606 HydrophobicContact CD1-CZ 3.97Å; N578-F606 HydrophobicContact CB-CB 4.43Å; N578-F606 PolarHBondContact O-N 3.06Å; L604-F606 HydrophobicContact CB-CE2 3.69Å; L604-F606 HydrophobicContact CB-CZ 4.28Å; L604-F606 WeakPolarHBondContact O-CD2 3.46Å; L604-F606 WeakPolarHBondContact O-CE2 3.23Å; F606-Y619 HydrophobicContact CB-CD1 4.06Å; F606-Y619 AromaticContact CD2-CD1 3.65Å; F606-Y619 HydrophobicContact CD2-CD1 3.65Å; F606-Y619 HydrophobicContact CD2-CG 4.27Å; F606-Y619 HydrophobicContact CE2-CD1 4.31Å; F606-Y619 AromaticContact CG-CD1 3.95Å; F606-Y619 HydrophobicContact CG-CD1 3.95Å; F606-Y619 HydrophobicContact CG-CG 4.4Å; F606-D621 WeakPolarHBondContact CA-O 3.4Å; F606-F622 HydrophobicContact CD1-CB 3.99Å; F606-F622 HydrophobicContact CD1-CD2 4.33Å; F606-F622 HydrophobicContact CE1-CB 3.85Å; F606-F622 AromaticContact CE1-CD2 3.81Å; F606-F622 HydrophobicContact CE1-CD2 3.81Å; F606-F622 HydrophobicContact CE1-CG 4.33Å; F606-F622 HydrophobicContact CE2-CD2 4.37Å; F606-F622 AromaticContact CZ-CD2 3.82Å; F606-F622 HydrophobicContact CZ-CD2 3.82Å |
| 607 | V | 86.9 | Confident | 84.1 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -34 | 173.9 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | N578 S620 D621 V623 | N578-V607 PolarHBondContact ND2-O 3.42Å; N578-V607 VanDerWaalsContact ND2-O 3.15Å; V607-S620 PolarHBondContact N-O 3.42Å; V607-D621 HydrophobicContact CB-CB 3.94Å; V607-D621 HydrophobicContact CG2-CB 3.98Å; V607-D621 WeakPolarHBondContact CG2-O 3.25Å; V607-D621 PolarHBondContact N-O 2.86Å; V607-V623 HydrophobicContact CG2-CG2 3.56Å |
| 608 | H | 85.9 | Confident | 84 | Confident | 101 Ų | 101 | 50 Ų | 50 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.4 | -169.6 | -66.7 | -23.8 | 0 | 0 | 0 | 113.3 | Y619 S620 D621 | H608-Y619 WeakPolarHBondContact O-CA 3.5Å; H608-S620 WeakPolarHBondContact CB-OG 3.32Å; H608-S620 PolarHBondContact N-O 3.37Å; H608-S620 PolarHBondContact O-N 2.86Å; H608-D621 IonicContact CD2-OD2 2.65Å; H608-D621 PolarHBondContact CD2-OD2 3.03Å |
| 609 | K | 88.6 | Confident | 84.2 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.4 | 171.2 | -179.9 | 177.8 | -175.2 | 163.7 | 0 | 107.9 | E571 N578 N617 V618 Y619 | E571-K609 WeakPolarHBondContact OE1-CE 3.07Å; E571-K609 IonicContact OE1-NZ 3.46Å; E571-K609 PolarHBondContact OE1-NZ 2.83Å; N578-K609 HydrophobicContact CB-CB 4.18Å; N578-K609 WeakPolarHBondContact OD1-CB 3.5Å; K609-N617 VanDerWaalsContact CE-ND2 3.3Å; K609-N617 WeakPolarHBondContact CE-ND2 3.27Å; K609-N617 HydrophobicContact CG-CB 4.49Å; K609-V618 CarbonylContact C-O 3.54Å; K609-V618 WeakPolarHBondContact CA-O 3.47Å; K609-Y619 HydrophobicContact CB-CD1 4.41Å; K609-Y619 HydrophobicContact CB-CE1 4.41Å; K609-Y619 HydrophobicContact CD-CE1 4.03Å; K609-Y619 HydrophobicContact CD-CE2 3.91Å; K609-Y619 WeakPolarHBondContact CE-OH 3.46Å; K609-Y619 HydrophobicContact CG-CD2 4.26Å; K609-Y619 HydrophobicContact CG-CE1 4.28Å; K609-Y619 HydrophobicContact CG-CE2 3.93Å; K609-Y619 PolarHBondContact NZ-OH 2.83Å |
| 610 | S | 84.6 | Confident | 84 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 160.2 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | N617 V618 | S610-N617 CarbonylContact O-C 3.54Å; S610-N617 WeakPolarHBondContact O-CA 3.22Å; S610-V618 PolarHBondContact N-O 2.94Å; S610-V618 PolarHBondContact O-N 2.94Å |
| 611 | R | 82.2 | Confident | 83.7 | Confident | 184 Ų | 184 | 55.2 Ų | 55.2 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.5 | 176.9 | -162.6 | 177.2 | -168.6 | -161 | -3.3 | 109.4 | G615 N616 | R611-G615 VanDerWaalsContact CZ-O 3.3Å; R611-G615 PolarHBondContact NE-O 2.7Å; R611-G615 PolarHBondContact NH2-O 3.24Å; R611-N616 WeakPolarHBondContact CA-O 3.33Å; R611-N616 WeakPolarHBondContact CG-O 3.48Å |
| 612 | L | 75.8 | Confident | 83.3 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | trans | -80.7 | 165.5 | 178.1 | -59 | 180 | 0 | 0 | 0 | 111.5 | V449 D614 G615 N616 V618 | V449-L612 HydrophobicContact CG2-CD1 3.67Å; L612-D614 WeakPolarHBondContact CB-OD1 3.23Å; L612-D614 PolarHBondContact O-N 2.79Å; L612-G615 WeakPolarHBondContact O-CA 3.47Å; L612-G615 PolarHBondContact O-N 3.46Å; L612-N616 PolarHBondContact N-O 3.28Å; L612-V618 HydrophobicContact CD1-CG2 3.68Å; L612-V618 HydrophobicContact CD2-CG2 4.05Å; L612-V618 HydrophobicContact CG-CG2 3.81Å | ||
| 613 | D | 71.9 | Confident | 83 | Confident | 179 Ų | 179 | 61 Ų | 61 | 96% | 0.957 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26 | 174.9 | -65.6 | -33.2 | 0 | 0 | 0 | 113.3 | G615 | D613-G615 PolarHBondContact O-N 2.72Š|
| 614 | D | 70.5 | Confident | 82.5 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3.6 | 173.2 | 60.9 | 41.3 | 0 | 0 | 0 | 113.6 | N446 L612 N616 | N446-D614 PolarHBondContact ND2-OD2 3.48Å; L612-D614 WeakPolarHBondContact CB-OD1 3.23Å; L612-D614 PolarHBondContact O-N 2.79Å; D614-N616 VanDerWaalsContact OD1-CB 3.28Å; D614-N616 WeakPolarHBondContact OD1-CB 3.31Å; D614-N616 PolarHBondContact OD1-N 2.93Å; D614-N616 PolarHBondContact OD1-ND2 3.14Å |
| 615 | G | 70.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 87.2 | -1.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R611 L612 D613 | R611-G615 VanDerWaalsContact CZ-O 3.3Å; R611-G615 PolarHBondContact NE-O 2.7Å; R611-G615 PolarHBondContact NH2-O 3.24Å; L612-G615 WeakPolarHBondContact O-CA 3.47Å; L612-G615 PolarHBondContact O-N 3.46Å; D613-G615 PolarHBondContact O-N 2.72Å |
| 616 | N | 73.7 | Confident | 81.8 | Confident | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | trans | -79.7 | 156.3 | 174.4 | -63.5 | -70.7 | 0 | 0 | 0 | 112.2 | R611 L612 D614 | R611-N616 WeakPolarHBondContact CA-O 3.33Å; R611-N616 WeakPolarHBondContact CG-O 3.48Å; L612-N616 PolarHBondContact N-O 3.28Å; D614-N616 VanDerWaalsContact OD1-CB 3.28Å; D614-N616 WeakPolarHBondContact OD1-CB 3.31Å; D614-N616 PolarHBondContact OD1-N 2.93Å; D614-N616 PolarHBondContact OD1-ND2 3.14Å | ||
| 617 | N | 83.4 | Confident | 81.3 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.1 | 174.1 | -62.7 | -40.2 | 0 | 0 | 0 | 110.8 | Q528 E571 K609 S610 Y619 | Q528-N617 PolarHBondContact NE2-O 3.47Å; E571-N617 PolarHBondContact OE1-ND2 2.89Å; K609-N617 VanDerWaalsContact CE-ND2 3.3Å; K609-N617 WeakPolarHBondContact CE-ND2 3.27Å; K609-N617 HydrophobicContact CG-CB 4.49Å; S610-N617 CarbonylContact O-C 3.54Å; S610-N617 WeakPolarHBondContact O-CA 3.22Å; N617-Y619 HydrophobicContact CB-CD2 4.43Å; N617-Y619 HydrophobicContact CB-CE2 3.93Å |
| 618 | V | 86.4 | Confident | 81.1 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 13% | 0.127 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.5 | 168.5 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | V449 Q528 K609 S610 L612 | V449-V618 HydrophobicContact CG2-CG2 4.35Å; Q528-V618 CarbonylContact O-C 3.57Å; Q528-V618 WeakPolarHBondContact O-CA 3.39Å; K609-V618 CarbonylContact C-O 3.54Å; K609-V618 WeakPolarHBondContact CA-O 3.47Å; S610-V618 PolarHBondContact N-O 2.94Å; S610-V618 PolarHBondContact O-N 2.94Å; L612-V618 HydrophobicContact CD1-CG2 3.68Å; L612-V618 HydrophobicContact CD2-CG2 4.05Å; L612-V618 HydrophobicContact CG-CG2 3.81Å |
| 619 | Y | 89.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.3 | -178.4 | -74.1 | -116.7 | 0 | 0 | 0 | 108.5 | Q528 E571 N578 I580 F606 H608 K609 N617 | Q528-Y619 PolarHBondContact O-N 3.45Å; E571-Y619 WeakPolarHBondContact CG-OH 3.14Å; E571-Y619 PolarHBondContact OE1-OH 3.31Å; N578-Y619 HydrophobicContact CB-CD1 4.28Å; N578-Y619 HydrophobicContact CB-CE1 4.14Å; N578-Y619 WeakPolarHBondContact O-CD1 3.23Å; N578-Y619 WeakPolarHBondContact O-CE1 3.24Å; I580-Y619 HydrophobicContact CD1-CD1 4.2Å; I580-Y619 HydrophobicContact CD1-CD2 3.7Å; I580-Y619 HydrophobicContact CD1-CE1 4.08Å; I580-Y619 HydrophobicContact CD1-CE2 3.61Å; I580-Y619 HydrophobicContact CD1-CG 4Å; I580-Y619 HydrophobicContact CG1-CD1 4.19Å; I580-Y619 HydrophobicContact CG1-CD2 4.38Å; I580-Y619 HydrophobicContact CG1-CE1 3.7Å; I580-Y619 HydrophobicContact CG1-CE2 3.96Å; I580-Y619 HydrophobicContact CG1-CG 4.48Å; F606-Y619 HydrophobicContact CB-CD1 4.06Å; F606-Y619 AromaticContact CD2-CD1 3.65Å; F606-Y619 HydrophobicContact CD2-CD1 3.65Å; F606-Y619 HydrophobicContact CD2-CG 4.27Å; F606-Y619 HydrophobicContact CE2-CD1 4.31Å; F606-Y619 AromaticContact CG-CD1 3.95Å; F606-Y619 HydrophobicContact CG-CD1 3.95Å; F606-Y619 HydrophobicContact CG-CG 4.4Å; H608-Y619 WeakPolarHBondContact O-CA 3.5Å; K609-Y619 HydrophobicContact CB-CD1 4.41Å; K609-Y619 HydrophobicContact CB-CE1 4.41Å; K609-Y619 HydrophobicContact CD-CE1 4.03Å; K609-Y619 HydrophobicContact CD-CE2 3.91Å; K609-Y619 WeakPolarHBondContact CE-OH 3.46Å; K609-Y619 HydrophobicContact CG-CD2 4.26Å; K609-Y619 HydrophobicContact CG-CE1 4.28Å; K609-Y619 HydrophobicContact CG-CE2 3.93Å; K609-Y619 PolarHBondContact NZ-OH 2.83Å; N617-Y619 HydrophobicContact CB-CD2 4.43Å; N617-Y619 HydrophobicContact CB-CE2 3.93Å |
| 620 | S | 85.2 | Confident | 81.1 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 164.9 | 179.6 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | V607 H608 | V607-S620 PolarHBondContact N-O 3.42Å; H608-S620 WeakPolarHBondContact CB-OG 3.32Å; H608-S620 PolarHBondContact N-O 3.37Å; H608-S620 PolarHBondContact O-N 2.86Å |
| 621 | D | 83.5 | Confident | 81.2 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.1 | 66.5 | 178.3 | -52.8 | -86.3 | 0 | 0 | 0 | 110.4 | F606 V607 H608 | F606-D621 WeakPolarHBondContact CA-O 3.4Å; V607-D621 HydrophobicContact CB-CB 3.94Å; V607-D621 HydrophobicContact CG2-CB 3.98Å; V607-D621 WeakPolarHBondContact CG2-O 3.25Å; V607-D621 PolarHBondContact N-O 2.86Å; H608-D621 IonicContact CD2-OD2 2.65Å; H608-D621 PolarHBondContact CD2-OD2 3.03Å |
| 622 | F | 83.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 132.8 | 177.6 | 175.9 | -91.3 | 0 | 0 | 0 | 111.5 | I531 L543 F553 L604 F606 G624 T625 | I531-F622 HydrophobicContact CD1-CD2 3.94Å; I531-F622 HydrophobicContact CD1-CE2 4.31Å; L543-F622 HydrophobicContact CD1-CE2 4.49Å; L543-F622 HydrophobicContact CD1-CZ 4.23Å; F553-F622 HydrophobicContact CB-CE1 3.84Å; F553-F622 HydrophobicContact CB-CZ 4.1Å; F553-F622 HydrophobicContact CD2-CE1 4.21Å; F553-F622 HydrophobicContact CG-CE1 4.23Å; F553-F622 HydrophobicContact CG-CZ 4.42Å; L604-F622 HydrophobicContact CB-CE2 4.26Å; L604-F622 HydrophobicContact CD2-CE2 4.26Å; F606-F622 HydrophobicContact CD1-CB 3.99Å; F606-F622 HydrophobicContact CD1-CD2 4.33Å; F606-F622 HydrophobicContact CE1-CB 3.85Å; F606-F622 AromaticContact CE1-CD2 3.81Å; F606-F622 HydrophobicContact CE1-CD2 3.81Å; F606-F622 HydrophobicContact CE1-CG 4.33Å; F606-F622 HydrophobicContact CE2-CD2 4.37Å; F606-F622 AromaticContact CZ-CD2 3.82Å; F606-F622 HydrophobicContact CZ-CD2 3.82Å; F622-G624 VanDerWaalsContact CE1-CA 3.49Å; F622-G624 VanDerWaalsContact CZ-C 3.43Å; F622-G624 WeakPolarHBondContact CZ-O 3.5Å; F622-T625 HydrophobicContact CE2-CG2 4.19Å; F622-T625 HydrophobicContact CZ-CG2 3.69Å |
| 623 | V | 81.9 | Confident | 81.3 | Confident | 91 Ų | 91 | 49.1 Ų | 49.1 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -34.9 | -171.6 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | Q605 V607 | Q605-V623 HydrophobicContact CB-CB 4.2Å; Q605-V623 PolarHBondContact O-N 3.01Å; V607-V623 HydrophobicContact CG2-CG2 3.56Å |
| 624 | G | 80.4 | Confident | 81.7 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -175.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q605 F622 | Q605-G624 PolarHBondContact N-O 3.06Å; Q605-G624 VanDerWaalsContact N-O 3.08Å; F622-G624 VanDerWaalsContact CE1-CA 3.49Å; F622-G624 VanDerWaalsContact CZ-C 3.43Å; F622-G624 WeakPolarHBondContact CZ-O 3.5Å |
| 625 | T | 84.5 | Confident | 82.2 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 161.1 | 175 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | L543 F553 V602 D603 L604 F622 | L543-T625 HydrophobicContact CD1-CG2 3.78Å; F553-T625 HydrophobicContact CD1-CG2 4.08Å; F553-T625 HydrophobicContact CE1-CG2 4.44Å; F553-T625 VanDerWaalsContact CE1-OG1 3.28Å; F553-T625 WeakPolarHBondContact CE1-OG1 3.48Å; V602-T625 HydrophobicContact CG1-CG2 4Å; D603-T625 WeakPolarHBondContact O-CA 3.2Å; D603-T625 WeakPolarHBondContact O-CB 3.22Å; D603-T625 WeakPolarHBondContact O-CG2 3.47Å; L604-T625 HydrophobicContact CD2-CG2 3.6Å; F622-T625 HydrophobicContact CE2-CG2 4.19Å; F622-T625 HydrophobicContact CZ-CG2 3.69Å |
| 626 | R | 80.6 | Confident | 82.7 | Confident | 149 Ų | 149 | 42.1 Ų | 42.1 | 56% | 0.562 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 129 | 167.8 | 172.6 | -175.4 | 173.9 | -147.1 | -1.7 | 110.6 | D603 S628 | D603-R626 PolarHBondContact N-O 2.92Å; D603-R626 WeakPolarHBondContact OD1-CB 3.25Å; D603-R626 PolarHBondContact OD1-N 2.83Å; R626-S628 PolarHBondContact O-N 2.74Å; R626-S628 PolarHBondContact O-OG 2.98Å |
| 627 | E | 77.8 | Confident | 83.3 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 121.7 | 164.8 | -170.3 | -157.5 | 159 | 0 | 0 | 109.1 | W555 | W555-E627 HydrophobicContact CZ2-CB 4.15Å; W555-E627 HydrophobicContact CZ2-CG 4.24Å |
| 628 | S | 82.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -25 | -168.8 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | V601 R626 W683 G690 | V601-S628 PolarHBondContact O-N 2.74Å; R626-S628 PolarHBondContact O-N 2.74Å; R626-S628 PolarHBondContact O-OG 2.98Å; S628-W683 WeakPolarHBondContact O-CZ2 3.36Å; S628-G690 WeakPolarHBondContact O-CA 3.49Å |
| 629 | F | 89.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 143.5 | 169.5 | 173.1 | -90.8 | 0 | 0 | 0 | 110.7 | Q600 V601 M631 F678 W683 P689 G690 I692 F702 | Q600-F629 CarbonylContact C-O 3.54Å; Q600-F629 WeakPolarHBondContact CA-O 3.01Å; V601-F629 HydrophobicContact CB-CB 4.04Å; V601-F629 HydrophobicContact CG2-CB 4.09Å; V601-F629 HydrophobicContact CG2-CD1 3.94Å; V601-F629 HydrophobicContact CG2-CG 4.47Å; V601-F629 PolarHBondContact N-O 2.79Å; V601-F629 PolarHBondContact O-N 3Å; F629-M631 HydrophobicContact CE1-CB 3.7Å; F629-M631 HydrophobicContact CZ-CB 3.88Å; F629-F678 HydrophobicContact CD1-CE2 4.16Å; F629-F678 HydrophobicContact CD2-CE2 4.45Å; F629-F678 HydrophobicContact CE1-CE2 4.05Å; F629-F678 HydrophobicContact CE2-CE2 4.35Å; F629-F678 HydrophobicContact CG-CE2 4.35Å; F629-F678 HydrophobicContact CZ-CE2 4.14Å; F629-W683 HydrophobicContact CB-CZ2 3.9Å; F629-P689 WeakPolarHBondContact CD2-O 3.48Å; F629-G690 WeakPolarHBondContact CA-O 3.47Å; F629-I692 HydrophobicContact CE2-CG1 3.96Å; F629-I692 HydrophobicContact CZ-CD1 4.35Å; F629-I692 HydrophobicContact CZ-CG1 4.04Å; F629-F702 HydrophobicContact CD2-CE2 4.39Å; F629-F702 AromaticContact CE2-CE2 3.73Å; F629-F702 HydrophobicContact CE2-CE2 3.73Å; F629-F702 HydrophobicContact CE2-CZ 4.07Å; F629-F702 HydrophobicContact CZ-CE2 4.27Å |
| 630 | S | 86.6 | Confident | 84.1 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.7 | 166 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | E598 I599 G690 | E598-S630 PolarHBondContact OE1-OG 3.23Å; I599-S630 WeakPolarHBondContact O-CA 3.22Å; S630-G690 PolarHBondContact N-O 3.25Å |
| 631 | M | 85.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.6 | 167.4 | -173.4 | 177.3 | 79.8 | 0 | 0 | 110.5 | E598 I599 F629 F664 F676 I692 M703 | E598-M631 CarbonylContact C-O 3.59Å; E598-M631 WeakPolarHBondContact CA-O 3.28Å; I599-M631 PolarHBondContact N-O 3.42Å; I599-M631 PolarHBondContact O-N 3.38Å; F629-M631 HydrophobicContact CE1-CB 3.7Å; F629-M631 HydrophobicContact CZ-CB 3.88Å; M631-F664 HydrophobicContact CE-CE2 3.53Å; M631-F664 HydrophobicContact CE-CZ 3.74Å; M631-F676 HydrophobicContact CE-CD1 4.13Å; M631-F676 HydrophobicContact CE-CD2 3.9Å; M631-F676 HydrophobicContact CE-CE1 4.08Å; M631-F676 HydrophobicContact CE-CE2 3.85Å; M631-F676 HydrophobicContact CE-CG 4.02Å; M631-F676 HydrophobicContact CE-CZ 3.95Å; M631-I692 HydrophobicContact SD-CD1 3.68Å; M631-M703 HydrophobicContact CE-CE 4.36Å; M631-M703 HydrophobicContact CE-SD 4.21Å; M631-M703 HydrophobicContact SD-CE 3.71Å; M631-M703 HydrophobicContact SD-SD 4Å |
| 632 | R | 82.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.7 | 178.1 | -56.5 | -169.3 | 170.9 | -165.2 | -20.6 | 110.5 | D560 E598 | D560-R632 IonicContact OD2-CZ 3.27Å; D560-R632 VanDerWaalsContact OD2-CZ 3.31Å; D560-R632 IonicContact OD2-NH1 2.68Å; D560-R632 PolarHBondContact OD2-NH1 3.34Å; D560-R632 IonicContact OD2-NH2 2.74Å; D560-R632 PolarHBondContact OD2-NH2 3.08Å; E598-R632 HydrophobicContact CB-CG 4.02Å; E598-R632 VanDerWaalsContact CD-NH2 3.32Å; E598-R632 HydrophobicContact CG-CG 3.97Å; E598-R632 IonicContact OE1-CZ 3.66Å; E598-R632 IonicContact OE1-NE 2.69Å; E598-R632 PolarHBondContact OE1-NE 2.73Å; E598-R632 IonicContact OE1-NH2 3.4Å; E598-R632 PolarHBondContact OE1-NH2 3.21Å; E598-R632 VanDerWaalsContact OE1-NH2 3.16Å; E598-R632 IonicContact OE2-CZ 3.72Å; E598-R632 IonicContact OE2-NE 2.62Å; E598-R632 PolarHBondContact OE2-NE 3.09Å; E598-R632 IonicContact OE2-NH2 2.63Å; E598-R632 PolarHBondContact OE2-NH2 3.09Å |
| 633 | A | 79.5 | Confident | 85.1 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G596 A597 C636 F639 | G596-A633 CarbonylContact C-O 3.58Å; G596-A633 WeakPolarHBondContact CA-O 3.27Å; A597-A633 PolarHBondContact N-O 3.48Å; A597-A633 PolarHBondContact O-N 3.06Å; A633-C636 HydrophobicContact CB-CB 4.29Å; A633-C636 VanDerWaalsContact CB-SG 3.53Å; A633-F639 HydrophobicContact CB-CZ 4.22Å |
| 634 | E | 80.2 | Confident | 85.1 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 16% | 0.159 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 154.6 | -177.1 | -71 | 175.1 | 160.3 | 0 | 0 | 112.4 | I310 L590 S592 C636 | I310-E634 HydrophobicContact CD1-CB 4.21Å; I310-E634 VanDerWaalsContact CD1-CD 3.42Å; I310-E634 HydrophobicContact CD1-CG 3.71Å; I310-E634 VanDerWaalsContact CD1-OE2 3.27Å; I310-E634 WeakPolarHBondContact CD1-OE2 3.45Å; I310-E634 HydrophobicContact CG2-CB 4.23Å; L590-E634 HydrophobicContact CD1-CB 4.39Å; L590-E634 HydrophobicContact CD1-CG 3.47Å; L590-E634 VanDerWaalsContact CD1-CG 3.47Å; S592-E634 WeakPolarHBondContact CB-OE1 3.03Å; S592-E634 PolarHBondContact OG-OE1 3.03Å; E634-C636 PolarHBondContact O-N 2.9Å; E634-C636 PolarHBondContact O-SG 2.88Å |
| 635 | D | 80.6 | Confident | 84.3 | Confident | 84 Ų | 84 | 47 Ų | 47 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 55.4 | 29.6 | -175.5 | -73.1 | -23.9 | 0 | 0 | 0 | 114 | Y594 F595 S668 A669 | Y594-D635 VanDerWaalsContact CD1-OD1 3.25Å; Y594-D635 WeakPolarHBondContact CD1-OD1 3.26Å; F595-D635 PolarHBondContact O-N 2.83Å; D635-S668 CarbonylContact O-C 3.54Å; D635-S668 VanDerWaalsContact O-CA 3.28Å; D635-S668 WeakPolarHBondContact O-CA 3.09Å; D635-A669 PolarHBondContact O-N 2.93Å |
| 636 | C | 80.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 138.5 | -176.7 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | Y587 A633 E634 F674 | Y587-C636 WeakPolarHBondContact CE2-O 3.47Å; A633-C636 HydrophobicContact CB-CB 4.29Å; A633-C636 VanDerWaalsContact CB-SG 3.53Å; E634-C636 PolarHBondContact O-N 2.9Å; E634-C636 PolarHBondContact O-SG 2.88Å; C636-F674 HydrophobicContact CB-CE1 4.5Å; C636-F674 HydrophobicContact CB-CZ 3.75Å; C636-F674 WeakPolarHBondContact SG-CZ 3.37Å |
| 637 | E | 86.8 | Confident | 81.7 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | trans | -69.9 | 175 | 169 | -67.2 | -174.7 | 150.5 | 0 | 0 | 112.4 | A597 F639 S666 S667 | A597-E637 WeakPolarHBondContact CB-O 3.48Å; E637-F639 PolarHBondContact O-N 2.81Å; E637-S666 VanDerWaalsContact C-OG 3.25Å; E637-S666 WeakPolarHBondContact CA-OG 3.36Å; E637-S666 PolarHBondContact N-OG 3.39Å; E637-S666 WeakPolarHBondContact O-CB 3.46Å; E637-S666 PolarHBondContact O-OG 3.4Å; E637-S667 PolarHBondContact N-O 2.8Å; E637-S667 WeakPolarHBondContact OE2-CB 3.45Å; E637-S667 PolarHBondContact OE2-OG 3.35Å | ||
| 638 | K | 90.1 | Very high | 80 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 132 | 175.4 | -63.5 | -173 | 169 | -172.6 | 0 | 111.2 | E563 T565 Y587 L640 | E563-K638 IonicContact OE1-NZ 3.37Å; E563-K638 PolarHBondContact OE1-NZ 3.46Å; E563-K638 WeakPolarHBondContact OE2-CE 3.46Å; E563-K638 IonicContact OE2-NZ 3.19Å; E563-K638 PolarHBondContact OE2-NZ 3.4Å; T565-K638 HydrophobicContact CG2-CD 3.69Å; T565-K638 HydrophobicContact CG2-CG 4.01Å; Y587-K638 HydrophobicContact CD1-CD 4.44Å; Y587-K638 HydrophobicContact CD1-CG 3.94Å; Y587-K638 HydrophobicContact CD2-CG 3.98Å; Y587-K638 HydrophobicContact CE1-CG 4.5Å; Y587-K638 HydrophobicContact CG-CG 3.65Å; K638-L640 PolarHBondContact O-N 3.21Å |
| 639 | F | 92 | Very high | 77.9 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 128.7 | 177.1 | -80.1 | -65.3 | 0 | 0 | 0 | 112.3 | A597 I599 A633 E637 I641 F664 L665 F674 F676 | A597-F639 HydrophobicContact CB-CD2 3.37Å; A597-F639 HydrophobicContact CB-CE2 3.52Å; A597-F639 HydrophobicContact CB-CG 4.26Å; A597-F639 HydrophobicContact CB-CZ 4.5Å; I599-F639 HydrophobicContact CD1-CB 3.93Å; I599-F639 HydrophobicContact CD1-CD2 3.53Å; I599-F639 HydrophobicContact CD1-CE2 4.2Å; I599-F639 HydrophobicContact CD1-CG 3.82Å; I599-F639 HydrophobicContact CG1-CD2 3.63Å; I599-F639 HydrophobicContact CG1-CE2 3.76Å; I599-F639 HydrophobicContact CG1-CG 4.25Å; I599-F639 HydrophobicContact CG1-CZ 4.47Å; A633-F639 HydrophobicContact CB-CZ 4.22Å; E637-F639 PolarHBondContact O-N 2.81Å; F639-I641 HydrophobicContact CB-CG1 4.15Å; F639-F664 HydrophobicContact CD1-CB 4.44Å; F639-F664 AromaticContact CD1-CD2 3.78Å; F639-F664 HydrophobicContact CD1-CD2 3.78Å; F639-F664 AromaticContact CE1-CD2 3.74Å; F639-F664 HydrophobicContact CE1-CD2 3.74Å; F639-F664 HydrophobicContact CE1-CE2 4.25Å; F639-F664 HydrophobicContact CG-CD2 4.31Å; F639-F664 HydrophobicContact CZ-CD2 4.22Å; F639-F664 HydrophobicContact CZ-CE2 4.35Å; F639-L665 WeakPolarHBondContact CA-O 3.45Å; F639-F674 AromaticContact CE1-CE2 3.85Å; F639-F674 HydrophobicContact CE1-CE2 3.85Å; F639-F674 HydrophobicContact CZ-CE2 4.19Å; F639-F676 HydrophobicContact CE1-CD2 4.21Å; F639-F676 HydrophobicContact CE1-CE2 4.13Å; F639-F676 HydrophobicContact CZ-CD2 4.49Å; F639-F676 HydrophobicContact CZ-CE2 4.15Å |
| 640 | L | 92.6 | Very high | 75.4 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.3 | 158.3 | -62.4 | 175.4 | 0 | 0 | 0 | 108.1 | K638 F664 L665 V714 L715 F717 | K638-L640 PolarHBondContact O-N 3.21Å; L640-F664 CarbonylContact O-C 3.59Å; L640-F664 WeakPolarHBondContact O-CA 3.32Å; L640-F664 WeakPolarHBondContact O-CB 3.35Å; L640-L665 HydrophobicContact CB-CD1 4.44Å; L640-L665 HydrophobicContact CB-CG 4.39Å; L640-L665 HydrophobicContact CD1-CD1 4.09Å; L640-L665 PolarHBondContact N-O 3.2Å; L640-L665 PolarHBondContact O-N 3.12Å; L640-V714 HydrophobicContact CD1-CG1 4.14Å; L640-L715 WeakPolarHBondContact CD1-O 3.34Å; L640-F717 HydrophobicContact CB-CD1 4.18Å; L640-F717 HydrophobicContact CB-CE1 3.7Å |
| 641 | I | 93.9 | Very high | 72.8 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.1 | -172.5 | -52.2 | -174.1 | 0 | 0 | 0 | 110.5 | C568 I583 I599 F639 V662 F664 | C568-I641 HydrophobicContact CB-CB 4.49Å; C568-I641 HydrophobicContact CB-CG2 3.64Å; I583-I641 HydrophobicContact CG2-CD1 4.18Å; I599-I641 HydrophobicContact CD1-CD1 3.44Å; I599-I641 VanDerWaalsContact CD1-CD1 3.44Å; I599-I641 HydrophobicContact CD1-CG1 4.21Å; F639-I641 HydrophobicContact CB-CG1 4.15Å; I641-V662 HydrophobicContact CG2-CG1 3.49Å; I641-V662 VanDerWaalsContact CG2-CG1 3.49Å; I641-F664 HydrophobicContact CB-CB 4.3Å; I641-F664 HydrophobicContact CG1-CB 3.88Å; I641-F664 HydrophobicContact CG2-CB 4.32Å |
| 642 | R | 91 | Very high | 70.1 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 24% | 0.242 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 138.3 | 174.8 | -153.8 | 177.5 | -168.6 | 116.6 | 5.6 | 113 | Y663 D716 F717 | R642-Y663 PolarHBondContact N-O 3.1Å; R642-Y663 PolarHBondContact O-N 2.77Å; R642-D716 IonicContact CZ-OD1 3.16Å; R642-D716 IonicContact CZ-OD2 2.76Å; R642-D716 IonicContact NH1-OD1 2.65Å; R642-D716 PolarHBondContact NH1-OD1 2.85Å; R642-D716 IonicContact NH1-OD2 3.64Å; R642-D716 PolarHBondContact NH1-OD2 3.48Å; R642-F717 HydrophobicContact CB-CD2 4.37Å; R642-F717 HydrophobicContact CB-CE2 3.46Å; R642-F717 VanDerWaalsContact CB-CE2 3.46Å; R642-F717 HydrophobicContact CB-CZ 3.63Å; R642-F717 WeakPolarHBondContact CD-O 3.36Å; R642-F717 PolarHBondContact NE-O 3.26Å; R642-F717 PolarHBondContact NH1-O 3.4Å |
| 643 | T | 88.8 | Confident | 68.1 | Low | 49 Ų | 49 | 75.7 Ų | 75.7 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 146.1 | 166.2 | 31.4 | 0 | 0 | 0 | 0 | 112.1 | L569 V570 S661 V662 | L569-T643 WeakPolarHBondContact O-CG2 3.36Å; V570-T643 HydrophobicContact CB-CG2 3.69Å; V570-T643 HydrophobicContact CG2-CG2 3.89Å; T643-S661 WeakPolarHBondContact CA-O 3.34Å; T643-V662 HydrophobicContact CG2-CG2 3.86Å |
| 644 | T | 81.8 | Confident | 66.1 | Low | 11 Ų | 11 | 81.3 Ų | 81.3 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -74 | 131.2 | 167.7 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | K646 S661 F677 V719 P721 | T644-K646 PolarHBondContact O-N 2.77Å; T644-S661 PolarHBondContact N-O 3.1Å; T644-S661 PolarHBondContact OG1-N 3.33Å; T644-S661 PolarHBondContact OG1-O 3.5Å; T644-F677 HydrophobicContact CG2-CE2 3.83Å; T644-V719 HydrophobicContact CG2-CG1 4.13Å; T644-V719 HydrophobicContact CG2-CG2 4.38Å; T644-P721 HydrophobicContact CG2-CG 3.92Å |
| 645 | K | 63.9 | Low | 64.2 | Low | 137 Ų | 137 | 82 Ų | 82 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 120.3 | 170 | -73.1 | 178.5 | 174.7 | 173.3 | 0 | 109.8 | D354 K647 | D354-K645 IonicContact OD1-NZ 2.76Å; D354-K645 PolarHBondContact OD1-NZ 2.61Å; D354-K645 IonicContact OD2-NZ 2.92Å; D354-K645 PolarHBondContact OD2-NZ 3.14Å; K645-K647 PolarHBondContact O-N 2.81Å |
| 646 | K | 59.1 | Low | 62.7 | Low | 95 Ų | 95 | 80.3 Ų | 80.3 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 122.1 | 172.9 | -172.9 | 166.1 | -172.1 | 166.1 | 0 | 109.4 | E573 T644 A648 | E573-K646 VanDerWaalsContact CD-NZ 3.29Å; E573-K646 IonicContact OE1-NZ 3.78Å; E573-K646 PolarHBondContact OE1-NZ 3.3Å; T644-K646 PolarHBondContact O-N 2.77Å; K646-A648 PolarHBondContact O-N 3.32Å; K646-A648 VanDerWaalsContact O-N 3.17Å |
| 647 | K | 51.3 | Low | 61.2 | Low | 126 Ų | 126 | 80.8 Ų | 80.8 | 55% | 0.548 | 41% | 0.413 | S | S | . | . | trans | -64.3 | 114.7 | 177.9 | -162.6 | -173.6 | -178.1 | -159.5 | 0 | 109 | K645 F649 E654 | K645-K647 PolarHBondContact O-N 2.81Å; K647-F649 PolarHBondContact O-N 3.39Å; K647-E654 IonicContact NZ-OE2 2.75Å | ||
| 648 | A | 40.9 | Very low | 60 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | trans | -71.5 | 124.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K646 H650 | K646-A648 PolarHBondContact O-N 3.32Å; K646-A648 VanDerWaalsContact O-N 3.17Å; A648-H650 PolarHBondContact O-N 3.33Å | ||
| 649 | F | 39.1 | Very low | 59 | Low | 108 Ų | 108 | 73.6 Ų | 73.6 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | -70.3 | 124.8 | 174.4 | -64.1 | -79.8 | 0 | 0 | 0 | 110.3 | K647 E654 G657 | K647-F649 PolarHBondContact O-N 3.39Å; F649-E654 VanDerWaalsContact CE1-O 3.25Å; F649-E654 WeakPolarHBondContact CE1-O 3.43Å; F649-G657 VanDerWaalsContact CZ-CA 3.49Å | ||
| 650 | H | 36.3 | Very low | 58.3 | Low | 156 Ų | 156 | 74.1 Ų | 74.1 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | trans | -109.2 | -8.7 | 172.1 | -86.5 | -72.6 | 0 | 0 | 0 | 114 | A648 | A648-H650 PolarHBondContact O-N 3.33Š| ||
| 651 | E | 32.8 | Very low | 58.1 | Low | 118 Ų | 118 | 72 Ų | 72 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -132.7 | 138.3 | 179.3 | -61.4 | -166 | 164.5 | 0 | 0 | 112.2 | G653 N1271 | E651-G653 PolarHBondContact O-N 3.02Å; E651-N1271 PolarHBondContact OE1-ND2 3.4Å |
| 652 | E | 29.4 | Very low | 58 | Low | 214 Ų | 214 | 71.3 Ų | 71.3 | 100% | 1 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 84.3 | 177.6 | -65.6 | -169.3 | 131.9 | 0 | 0 | 111.2 | ||
| 653 | G | 38.7 | Very low | 58.2 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 46% | 0.464 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 177.3 | -34.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116 | E651 | E651-G653 PolarHBondContact O-N 3.02Š|
| 654 | E | 38.9 | Very low | 58.4 | Low | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | trans | -71.5 | 130.6 | 170.3 | -61.4 | -163.5 | 151.1 | 0 | 0 | 109.5 | K647 F649 | K647-E654 IonicContact NZ-OE2 2.75Å; F649-E654 VanDerWaalsContact CE1-O 3.25Å; F649-E654 WeakPolarHBondContact CE1-O 3.43Å | ||
| 655 | A | 39.8 | Very low | 58.9 | Low | 48 Ų | 48 | 65.5 Ų | 65.5 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | trans | -114.2 | 11 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R728 | A655-R728 PolarHBondContact O-NH2 3.18Š| ||
| 656 | D | 48 | Very low | 60.1 | Low | 50 Ų | 50 | 59.1 Ų | 59.1 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | trans | -117.8 | 55.4 | -163.9 | -59.4 | -79.4 | 0 | 0 | 0 | 110 | F658 R728 | D656-F658 WeakPolarHBondContact O-CE2 3.35Å; D656-R728 IonicContact OD1-CZ 2.7Å; D656-R728 IonicContact OD1-NE 3.76Å; D656-R728 IonicContact OD1-NH2 2.65Å; D656-R728 PolarHBondContact OD1-NH2 2.87Å | ||
| 657 | G | 51.1 | Low | 61.3 | Low | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 141.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | F649 | F649-G657 VanDerWaalsContact CZ-CA 3.49Š|
| 658 | F | 60.7 | Low | 62.7 | Low | 25 Ų | 25 | 51 Ų | 51 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 142.5 | -177.9 | -68.5 | -83.3 | 0 | 0 | 0 | 111.3 | D656 P721 F722 V723 Y742 | D656-F658 WeakPolarHBondContact O-CE2 3.35Å; F658-P721 HydrophobicContact CB-CG 4.02Å; F658-P721 HydrophobicContact CD1-CB 3.9Å; F658-P721 HydrophobicContact CD1-CG 4.01Å; F658-P721 HydrophobicContact CG-CB 4.38Å; F658-P721 HydrophobicContact CG-CG 3.99Å; F658-F722 VanDerWaalsContact CE1-C 3.5Å; F658-F722 VanDerWaalsContact CZ-CA 3.47Å; F658-F722 HydrophobicContact CZ-CB 4.41Å; F658-V723 HydrophobicContact CE1-CB 4.26Å; F658-V723 HydrophobicContact CE1-CG2 3.69Å; F658-V723 VanDerWaalsContact CE1-N 3.32Å; F658-V723 HydrophobicContact CZ-CB 4.32Å; F658-V723 HydrophobicContact CZ-CG2 4.16Å; F658-Y742 AromaticContact CD1-CD1 3.82Å; F658-Y742 HydrophobicContact CD1-CD1 3.82Å; F658-Y742 AromaticContact CD1-CE1 3.56Å; F658-Y742 HydrophobicContact CD1-CE1 3.56Å; F658-Y742 AromaticContact CE1-CD1 3.78Å; F658-Y742 HydrophobicContact CE1-CD1 3.78Å; F658-Y742 AromaticContact CE1-CE1 3.71Å; F658-Y742 HydrophobicContact CE1-CE1 3.71Å |
| 659 | S | 69 | Low | 64.1 | Low | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 144 | 171.5 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | S661 D679 N681 | S659-S661 PolarHBondContact O-N 2.88Å; S659-S661 PolarHBondContact O-OG 2.96Å; S659-D679 WeakPolarHBondContact CB-OD1 3.28Å; S659-D679 WeakPolarHBondContact CB-OD2 3.38Å; S659-D679 VanDerWaalsContact OG-CG 3.22Å; S659-D679 PolarHBondContact OG-OD1 3.33Å; S659-D679 PolarHBondContact OG-OD2 2.9Å; S659-N681 VanDerWaalsContact OG-CB 3.27Å; S659-N681 WeakPolarHBondContact OG-CB 3.42Å; S659-N681 PolarHBondContact OG-ND2 2.99Å |
| 660 | P | 77.7 | Confident | 65.6 | Low | 13 Ų | 13 | 49.6 Ų | 49.6 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -61.6 | 107.6 | 166.1 | -19.6 | 33.7 | 0 | 0 | 0 | 109.6 | V570 E571 E573 V680 N681 | V570-P660 HydrophobicContact CG2-CB 3.82Å; E571-P660 WeakPolarHBondContact O-CB 3.35Å; E571-P660 VanDerWaalsContact O-CG 3.23Å; E571-P660 WeakPolarHBondContact O-CG 3.31Å; E573-P660 HydrophobicContact CB-CG 4.46Å; P660-V680 VanDerWaalsContact O-CB 3.27Å; P660-V680 WeakPolarHBondContact O-CB 3.37Å; P660-V680 VanDerWaalsContact O-CG2 3.29Å; P660-V680 WeakPolarHBondContact O-CG2 3.32Å; P660-V680 PolarHBondContact O-N 2.76Å; P660-N681 WeakPolarHBondContact CD-ND2 3.31Å | ||
| 661 | S | 88.8 | Confident | 67.4 | Low | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 157.8 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | T643 T644 S659 F677 F678 | T643-S661 WeakPolarHBondContact CA-O 3.34Å; T644-S661 PolarHBondContact N-O 3.1Å; T644-S661 PolarHBondContact OG1-N 3.33Å; T644-S661 PolarHBondContact OG1-O 3.5Å; S659-S661 PolarHBondContact O-N 2.88Å; S659-S661 PolarHBondContact O-OG 2.96Å; S661-F677 WeakPolarHBondContact OG-CZ 3.43Å; S661-F678 CarbonylContact C-O 3.6Å; S661-F678 VanDerWaalsContact CA-O 3.23Å; S661-F678 WeakPolarHBondContact CA-O 3.35Å; S661-F678 VanDerWaalsContact CB-O 3.27Å; S661-F678 WeakPolarHBondContact CB-O 3.2Å |
| 662 | V | 92 | Very high | 69.5 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.1 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | V570 I583 I641 T643 F664 F678 | V570-V662 HydrophobicContact CB-CG2 4.05Å; V570-V662 HydrophobicContact CG1-CG2 4.05Å; V570-V662 HydrophobicContact CG2-CG2 4.24Å; I583-V662 HydrophobicContact CD1-CB 4.05Å; I583-V662 HydrophobicContact CD1-CG1 4.14Å; I583-V662 HydrophobicContact CD1-CG2 3.73Å; I641-V662 HydrophobicContact CG2-CG1 3.49Å; I641-V662 VanDerWaalsContact CG2-CG1 3.49Å; T643-V662 HydrophobicContact CG2-CG2 3.86Å; V662-F664 HydrophobicContact CG1-CD1 4.33Å; V662-F678 PolarHBondContact N-O 3.18Å; V662-F678 PolarHBondContact O-N 3.32Å |
| 663 | Y | 93.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139 | 167.9 | -161.4 | -112.9 | 0 | 0 | 0 | 108.1 | R642 L665 A675 F676 F677 H706 Y708 F717 V719 L744 V746 F759 | R642-Y663 PolarHBondContact N-O 3.1Å; R642-Y663 PolarHBondContact O-N 2.77Å; Y663-L665 HydrophobicContact CE1-CD2 4.45Å; Y663-A675 HydrophobicContact CD1-CB 4.44Å; Y663-A675 HydrophobicContact CE1-CB 3.65Å; Y663-A675 HydrophobicContact CE2-CB 3.98Å; Y663-A675 VanDerWaalsContact CZ-CB 3.41Å; Y663-A675 WeakPolarHBondContact OH-CB 3.13Å; Y663-F676 VanDerWaalsContact CA-O 3.31Å; Y663-F676 WeakPolarHBondContact CA-O 3.47Å; Y663-F676 WeakPolarHBondContact CD2-O 3.25Å; Y663-F677 HydrophobicContact CD2-CB 3.77Å; Y663-F677 AromaticContact CD2-CD2 3.91Å; Y663-F677 HydrophobicContact CD2-CD2 3.91Å; Y663-F677 HydrophobicContact CD2-CG 4.29Å; Y663-F677 HydrophobicContact CE2-CB 4.09Å; Y663-H706 AromaticContact CE2-ND1 3.68Å; Y663-H706 AromaticContact CZ-ND1 3.89Å; Y663-H706 PolarHBondContact OH-ND1 2.79Å; Y663-Y708 WeakPolarHBondContact CE1-OH 3.49Å; Y663-Y708 PolarHBondContact OH-OH 3.09Å; Y663-F717 AromaticContact CD1-CD2 3.91Å; Y663-F717 HydrophobicContact CD1-CD2 3.91Å; Y663-F717 AromaticContact CD1-CE2 3.57Å; Y663-F717 HydrophobicContact CD1-CE2 3.57Å; Y663-F717 HydrophobicContact CD1-CZ 4.04Å; Y663-F717 HydrophobicContact CG-CE2 4.24Å; Y663-F717 WeakPolarHBondContact O-CZ 3.33Å; Y663-V719 HydrophobicContact CD1-CB 4.42Å; Y663-V719 HydrophobicContact CD1-CG2 4.49Å; Y663-V719 HydrophobicContact CD2-CG2 4.44Å; Y663-V719 HydrophobicContact CG-CB 4.42Å; Y663-V719 HydrophobicContact CG-CG1 4.49Å; Y663-V719 HydrophobicContact CG-CG2 4.15Å; Y663-L744 HydrophobicContact CD2-CD1 3.85Å; Y663-L744 HydrophobicContact CE2-CD1 3.52Å; Y663-V746 HydrophobicContact CE1-CG1 4.17Å; Y663-V746 HydrophobicContact CE1-CG2 4.19Å; Y663-F759 WeakPolarHBondContact OH-CE2 3.25Å |
| 664 | F | 93.1 | Very high | 74.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 140.4 | 173.4 | 53.4 | -88.1 | 0 | 0 | 0 | 110.8 | I599 M631 F639 L640 I641 V662 A675 F676 F678 M703 | I599-F664 HydrophobicContact CB-CE2 4.45Å; I599-F664 HydrophobicContact CD1-CD2 4.03Å; I599-F664 HydrophobicContact CD1-CE2 4.36Å; I599-F664 HydrophobicContact CD1-CG 4.3Å; I599-F664 HydrophobicContact CG1-CD2 3.8Å; I599-F664 HydrophobicContact CG1-CE2 3.63Å; I599-F664 HydrophobicContact CG1-CG 4.42Å; I599-F664 HydrophobicContact CG1-CZ 4.12Å; I599-F664 HydrophobicContact CG2-CE1 4.42Å; I599-F664 HydrophobicContact CG2-CZ 4.27Å; M631-F664 HydrophobicContact CE-CE2 3.53Å; M631-F664 HydrophobicContact CE-CZ 3.74Å; F639-F664 HydrophobicContact CD1-CB 4.44Å; F639-F664 AromaticContact CD1-CD2 3.78Å; F639-F664 HydrophobicContact CD1-CD2 3.78Å; F639-F664 AromaticContact CE1-CD2 3.74Å; F639-F664 HydrophobicContact CE1-CD2 3.74Å; F639-F664 HydrophobicContact CE1-CE2 4.25Å; F639-F664 HydrophobicContact CG-CD2 4.31Å; F639-F664 HydrophobicContact CZ-CD2 4.22Å; F639-F664 HydrophobicContact CZ-CE2 4.35Å; L640-F664 CarbonylContact O-C 3.59Å; L640-F664 WeakPolarHBondContact O-CA 3.32Å; L640-F664 WeakPolarHBondContact O-CB 3.35Å; I641-F664 HydrophobicContact CB-CB 4.3Å; I641-F664 HydrophobicContact CG1-CB 3.88Å; I641-F664 HydrophobicContact CG2-CB 4.32Å; V662-F664 HydrophobicContact CG1-CD1 4.33Å; F664-A675 CarbonylContact O-C 3.49Å; F664-A675 WeakPolarHBondContact O-CA 3.31Å; F664-A675 WeakPolarHBondContact O-CB 3.39Å; F664-F676 HydrophobicContact CD1-CB 4.36Å; F664-F676 HydrophobicContact CD2-CB 3.99Å; F664-F676 AromaticContact CD2-CD2 3.74Å; F664-F676 HydrophobicContact CD2-CD2 3.74Å; F664-F676 HydrophobicContact CD2-CG 4.29Å; F664-F676 HydrophobicContact CE1-CB 3.92Å; F664-F676 HydrophobicContact CE2-CB 3.5Å; F664-F676 AromaticContact CE2-CD2 3.31Å; F664-F676 HydrophobicContact CE2-CD2 3.31Å; F664-F676 HydrophobicContact CE2-CE2 4.24Å; F664-F676 AromaticContact CE2-CG 3.65Å; F664-F676 HydrophobicContact CE2-CG 3.65Å; F664-F676 HydrophobicContact CG-CB 4.4Å; F664-F676 HydrophobicContact CZ-CB 3.47Å; F664-F676 VanDerWaalsContact CZ-CB 3.47Å; F664-F676 HydrophobicContact CZ-CD2 4.13Å; F664-F676 AromaticContact CZ-CG 3.99Å; F664-F676 HydrophobicContact CZ-CG 3.99Å; F664-F676 PolarHBondContact N-O 3.12Å; F664-F676 PolarHBondContact O-N 3.15Å; F664-F678 HydrophobicContact CE1-CB 4.04Å; F664-M703 HydrophobicContact CZ-SD 4.21Å |
| 665 | L | 92.3 | Very high | 76.9 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153 | -174.2 | 75.9 | 80.1 | 0 | 0 | 0 | 112.1 | F639 L640 Y663 V673 F674 A675 V714 F717 L748 | F639-L665 WeakPolarHBondContact CA-O 3.45Å; L640-L665 HydrophobicContact CB-CD1 4.44Å; L640-L665 HydrophobicContact CB-CG 4.39Å; L640-L665 HydrophobicContact CD1-CD1 4.09Å; L640-L665 PolarHBondContact N-O 3.2Å; L640-L665 PolarHBondContact O-N 3.12Å; Y663-L665 HydrophobicContact CE1-CD2 4.45Å; L665-V673 HydrophobicContact CD1-CG1 4.01Å; L665-F674 VanDerWaalsContact CA-O 3.32Å; L665-F674 WeakPolarHBondContact CA-O 3.18Å; L665-F674 WeakPolarHBondContact CB-O 3.21Å; L665-A675 HydrophobicContact CB-CB 3.56Å; L665-V714 HydrophobicContact CD1-CB 4.36Å; L665-V714 HydrophobicContact CD1-CG1 4.1Å; L665-V714 HydrophobicContact CD2-CG1 4.42Å; L665-F717 HydrophobicContact CD2-CB 4.18Å; L665-F717 HydrophobicContact CD2-CD1 3.34Å; L665-F717 HydrophobicContact CD2-CE1 3.84Å; L665-F717 HydrophobicContact CD2-CG 3.82Å; L665-F717 HydrophobicContact CG-CD1 3.77Å; L665-F717 HydrophobicContact CG-CE1 3.82Å; L665-L748 HydrophobicContact CD2-CD2 3.82Å |
| 666 | S | 88.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.3 | 176.2 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | E637 F674 | E637-S666 VanDerWaalsContact C-OG 3.25Å; E637-S666 WeakPolarHBondContact CA-OG 3.36Å; E637-S666 PolarHBondContact N-OG 3.39Å; E637-S666 WeakPolarHBondContact O-CB 3.46Å; E637-S666 PolarHBondContact O-OG 3.4Å; S666-F674 VanDerWaalsContact CB-CZ 3.48Å; S666-F674 PolarHBondContact N-O 3.49Å; S666-F674 WeakPolarHBondContact O-CD1 3.41Å; S666-F674 VanDerWaalsContact O-CE1 3.31Å; S666-F674 WeakPolarHBondContact O-CE1 3.38Å; S666-F674 PolarHBondContact O-N 3.02Å |
| 667 | S | 85.2 | Confident | 81.4 | Confident | 18 Ų | 18 | 19 Ų | 19 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 144 | 171.5 | -22.5 | 0 | 0 | 0 | 0 | 109.6 | E637 | E637-S667 PolarHBondContact N-O 2.8Å; E637-S667 WeakPolarHBondContact OE2-CB 3.45Å; E637-S667 PolarHBondContact OE2-OG 3.35Å |
| 668 | S | 80.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 18 Ų | 18 | 22% | 0.224 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 161.9 | 165.1 | 63 | 0 | 0 | 0 | 0 | 110.6 | D635 G670 G671 D672 | D635-S668 CarbonylContact O-C 3.54Å; D635-S668 VanDerWaalsContact O-CA 3.28Å; D635-S668 WeakPolarHBondContact O-CA 3.09Å; S668-G670 PolarHBondContact O-N 3.06Å; S668-G670 PolarHBondContact OG-N 3.19Å; S668-G671 PolarHBondContact O-N 2.69Å; S668-D672 PolarHBondContact N-O 3.26Å; S668-D672 PolarHBondContact OG-N 3.06Å; S668-D672 PolarHBondContact OG-O 3Å; S668-D672 VanDerWaalsContact OG-O 3.06Å |
| 669 | A | 71.7 | Confident | 84.7 | Confident | 92 Ų | 92 | 16.9 Ų | 16.9 | 76% | 0.76 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -14.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D635 | D635-A669 PolarHBondContact O-N 2.93Š|
| 670 | G | 70.4 | Confident | 85.6 | Confident | 62 Ų | 62 | 16.5 Ų | 16.5 | 64% | 0.639 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S668 | S668-G670 PolarHBondContact O-N 3.06Å; S668-G670 PolarHBondContact OG-N 3.19Å |
| 671 | G | 72.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 16.9 Ų | 16.9 | 21% | 0.206 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 83 | 5.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S668 | S668-G671 PolarHBondContact O-N 2.69Š|
| 672 | D | 78.1 | Confident | 85.8 | Confident | 51 Ų | 51 | 17.2 Ų | 17.2 | 27% | 0.273 | 13% | 0.127 | S | C | . | . | trans | -77 | 124.9 | 167.1 | -90.9 | -12.8 | 0 | 0 | 0 | 109.5 | S668 R707 | S668-D672 PolarHBondContact N-O 3.26Å; S668-D672 PolarHBondContact OG-N 3.06Å; S668-D672 PolarHBondContact OG-O 3Å; S668-D672 VanDerWaalsContact OG-O 3.06Å; D672-R707 IonicContact OD2-CZ 2.95Å; D672-R707 IonicContact OD2-NE 3.87Å; D672-R707 IonicContact OD2-NH2 2.64Å; D672-R707 PolarHBondContact OD2-NH2 2.83Å | ||
| 673 | V | 86.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.7 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 110 | L665 Y708 L711 V714 | L665-V673 HydrophobicContact CD1-CG1 4.01Å; V673-Y708 HydrophobicContact CB-CD2 4.17Å; V673-Y708 HydrophobicContact CB-CG 4.49Å; V673-Y708 HydrophobicContact CG1-CD2 3.82Å; V673-Y708 HydrophobicContact CG1-CE2 4.28Å; V673-Y708 HydrophobicContact CG1-CG 4.48Å; V673-Y708 PolarHBondContact O-N 3.32Å; V673-L711 HydrophobicContact CB-CD1 4.31Å; V673-L711 HydrophobicContact CG2-CB 4.23Å; V673-L711 HydrophobicContact CG2-CD1 4.26Å; V673-V714 HydrophobicContact CG2-CG2 4.43Å |
| 674 | F | 86.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 21.2 Ų | 21.2 | 13% | 0.132 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.3 | 175.1 | 56.7 | -88.2 | 0 | 0 | 0 | 109.6 | C636 F639 L665 S666 F676 H706 | C636-F674 HydrophobicContact CB-CE1 4.5Å; C636-F674 HydrophobicContact CB-CZ 3.75Å; C636-F674 WeakPolarHBondContact SG-CZ 3.37Å; F639-F674 AromaticContact CE1-CE2 3.85Å; F639-F674 HydrophobicContact CE1-CE2 3.85Å; F639-F674 HydrophobicContact CZ-CE2 4.19Å; L665-F674 VanDerWaalsContact CA-O 3.32Å; L665-F674 WeakPolarHBondContact CA-O 3.18Å; L665-F674 WeakPolarHBondContact CB-O 3.21Å; S666-F674 VanDerWaalsContact CB-CZ 3.48Å; S666-F674 PolarHBondContact N-O 3.49Å; S666-F674 WeakPolarHBondContact O-CD1 3.41Å; S666-F674 VanDerWaalsContact O-CE1 3.31Å; S666-F674 WeakPolarHBondContact O-CE1 3.38Å; S666-F674 PolarHBondContact O-N 3.02Å; F674-F676 AromaticContact CD2-CE2 3.69Å; F674-F676 HydrophobicContact CD2-CE2 3.69Å; F674-F676 HydrophobicContact CD2-CZ 4.22Å; F674-F676 AromaticContact CE2-CE2 3.98Å; F674-F676 HydrophobicContact CE2-CE2 3.98Å; F674-H706 CarbonylContact C-O 3.52Å; F674-H706 WeakPolarHBondContact CA-O 3.18Å |
| 675 | A | 89.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y663 F664 L665 H706 Y708 | Y663-A675 HydrophobicContact CD1-CB 4.44Å; Y663-A675 HydrophobicContact CE1-CB 3.65Å; Y663-A675 HydrophobicContact CE2-CB 3.98Å; Y663-A675 VanDerWaalsContact CZ-CB 3.41Å; Y663-A675 WeakPolarHBondContact OH-CB 3.13Å; F664-A675 CarbonylContact O-C 3.49Å; F664-A675 WeakPolarHBondContact O-CA 3.31Å; F664-A675 WeakPolarHBondContact O-CB 3.39Å; L665-A675 HydrophobicContact CB-CB 3.56Å; A675-H706 HydrophobicContact CB-CB 4.21Å; A675-H706 PolarHBondContact N-O 2.85Å; A675-H706 PolarHBondContact O-N 2.94Å; A675-Y708 HydrophobicContact CB-CE2 3.95Å |
| 676 | F | 90.6 | Very high | 84 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134 | 179.9 | -58.7 | -84 | 0 | 0 | 0 | 109.7 | M631 F639 Y663 F664 F674 M703 N704 M705 | M631-F676 HydrophobicContact CE-CD1 4.13Å; M631-F676 HydrophobicContact CE-CD2 3.9Å; M631-F676 HydrophobicContact CE-CE1 4.08Å; M631-F676 HydrophobicContact CE-CE2 3.85Å; M631-F676 HydrophobicContact CE-CG 4.02Å; M631-F676 HydrophobicContact CE-CZ 3.95Å; F639-F676 HydrophobicContact CE1-CD2 4.21Å; F639-F676 HydrophobicContact CE1-CE2 4.13Å; F639-F676 HydrophobicContact CZ-CD2 4.49Å; F639-F676 HydrophobicContact CZ-CE2 4.15Å; Y663-F676 VanDerWaalsContact CA-O 3.31Å; Y663-F676 WeakPolarHBondContact CA-O 3.47Å; Y663-F676 WeakPolarHBondContact CD2-O 3.25Å; F664-F676 HydrophobicContact CD1-CB 4.36Å; F664-F676 HydrophobicContact CD2-CB 3.99Å; F664-F676 AromaticContact CD2-CD2 3.74Å; F664-F676 HydrophobicContact CD2-CD2 3.74Å; F664-F676 HydrophobicContact CD2-CG 4.29Å; F664-F676 HydrophobicContact CE1-CB 3.92Å; F664-F676 HydrophobicContact CE2-CB 3.5Å; F664-F676 AromaticContact CE2-CD2 3.31Å; F664-F676 HydrophobicContact CE2-CD2 3.31Å; F664-F676 HydrophobicContact CE2-CE2 4.24Å; F664-F676 AromaticContact CE2-CG 3.65Å; F664-F676 HydrophobicContact CE2-CG 3.65Å; F664-F676 HydrophobicContact CG-CB 4.4Å; F664-F676 HydrophobicContact CZ-CB 3.47Å; F664-F676 VanDerWaalsContact CZ-CB 3.47Å; F664-F676 HydrophobicContact CZ-CD2 4.13Å; F664-F676 AromaticContact CZ-CG 3.99Å; F664-F676 HydrophobicContact CZ-CG 3.99Å; F664-F676 PolarHBondContact N-O 3.12Å; F664-F676 PolarHBondContact O-N 3.15Å; F674-F676 AromaticContact CD2-CE2 3.69Å; F674-F676 HydrophobicContact CD2-CE2 3.69Å; F674-F676 HydrophobicContact CD2-CZ 4.22Å; F674-F676 AromaticContact CE2-CE2 3.98Å; F674-F676 HydrophobicContact CE2-CE2 3.98Å; F676-M703 HydrophobicContact CB-CG 4.27Å; F676-M703 HydrophobicContact CB-SD 3.97Å; F676-M703 HydrophobicContact CD1-CE 3.53Å; F676-M703 HydrophobicContact CD1-SD 3.92Å; F676-M703 HydrophobicContact CE1-CE 4.01Å; F676-M703 HydrophobicContact CG-CE 4.38Å; F676-M703 HydrophobicContact CG-SD 4.21Å; F676-N704 WeakPolarHBondContact CA-O 3.3Å; F676-M705 HydrophobicContact CD1-CB 4.1Å; F676-M705 HydrophobicContact CD1-CG 3.91Å; F676-M705 HydrophobicContact CE1-CB 4.07Å; F676-M705 HydrophobicContact CE1-CG 3.57Å; F676-M705 HydrophobicContact CE1-SD 3.61Å; F676-M705 HydrophobicContact CZ-CG 4.25Å; F676-M705 HydrophobicContact CZ-SD 4.02Å |
| 677 | F | 91.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 105.7 | 172.4 | -175.1 | -118.5 | 0 | 0 | 0 | 109 | T644 S661 Y663 M703 N704 P721 P739 Y742 L744 | T644-F677 HydrophobicContact CG2-CE2 3.83Å; S661-F677 WeakPolarHBondContact OG-CZ 3.43Å; Y663-F677 HydrophobicContact CD2-CB 3.77Å; Y663-F677 AromaticContact CD2-CD2 3.91Å; Y663-F677 HydrophobicContact CD2-CD2 3.91Å; Y663-F677 HydrophobicContact CD2-CG 4.29Å; Y663-F677 HydrophobicContact CE2-CB 4.09Å; F677-M703 CarbonylContact O-C 3.54Å; F677-M703 VanDerWaalsContact O-CA 3.25Å; F677-M703 WeakPolarHBondContact O-CA 3.45Å; F677-N704 PolarHBondContact N-O 3.29Å; F677-N704 PolarHBondContact O-N 2.95Å; F677-P721 HydrophobicContact CZ-CB 4.01Å; F677-P721 HydrophobicContact CZ-CG 4.49Å; F677-P739 HydrophobicContact CD1-CB 3.81Å; F677-P739 HydrophobicContact CE1-CB 4.21Å; F677-Y742 HydrophobicContact CD1-CD2 4.49Å; F677-Y742 AromaticContact CE1-CD2 3.62Å; F677-Y742 HydrophobicContact CE1-CD2 3.62Å; F677-Y742 HydrophobicContact CE1-CE2 4.32Å; F677-Y742 HydrophobicContact CE1-CG 4.06Å; F677-Y742 HydrophobicContact CZ-CD2 4.47Å; F677-L744 HydrophobicContact CB-CD1 4.18Å; F677-L744 HydrophobicContact CD1-CD2 4.3Å; F677-L744 HydrophobicContact CD2-CD1 3.96Å; F677-L744 HydrophobicContact CD2-CD2 4.26Å; F677-L744 HydrophobicContact CE1-CD2 4.14Å; F677-L744 HydrophobicContact CE2-CD2 4.06Å; F677-L744 HydrophobicContact CG-CD1 3.97Å; F677-L744 HydrophobicContact CG-CD2 4.37Å; F677-L744 HydrophobicContact CZ-CD2 4.02Å |
| 678 | F | 91.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.2 | -176.8 | -177.4 | -83.4 | 0 | 0 | 0 | 110.1 | F629 S661 V662 F664 V680 W683 F702 M703 | F629-F678 HydrophobicContact CD1-CE2 4.16Å; F629-F678 HydrophobicContact CD2-CE2 4.45Å; F629-F678 HydrophobicContact CE1-CE2 4.05Å; F629-F678 HydrophobicContact CE2-CE2 4.35Å; F629-F678 HydrophobicContact CG-CE2 4.35Å; F629-F678 HydrophobicContact CZ-CE2 4.14Å; S661-F678 CarbonylContact C-O 3.6Å; S661-F678 VanDerWaalsContact CA-O 3.23Å; S661-F678 WeakPolarHBondContact CA-O 3.35Å; S661-F678 VanDerWaalsContact CB-O 3.27Å; S661-F678 WeakPolarHBondContact CB-O 3.2Å; V662-F678 PolarHBondContact N-O 3.18Å; V662-F678 PolarHBondContact O-N 3.32Å; F664-F678 HydrophobicContact CE1-CB 4.04Å; F678-V680 HydrophobicContact CD1-CG2 4.11Å; F678-V680 HydrophobicContact CE1-CG2 4.09Å; F678-W683 HydrophobicContact CE1-CB 4.1Å; F678-W683 HydrophobicContact CE1-CD2 4.27Å; F678-W683 HydrophobicContact CE1-CE3 4.34Å; F678-W683 HydrophobicContact CE1-CG 4.18Å; F678-W683 HydrophobicContact CE2-CB 4.49Å; F678-W683 HydrophobicContact CE2-CG 4.26Å; F678-W683 HydrophobicContact CZ-CB 3.8Å; F678-W683 AromaticContact CZ-CD1 3.81Å; F678-W683 AromaticContact CZ-CD2 3.72Å; F678-W683 HydrophobicContact CZ-CD2 3.72Å; F678-W683 HydrophobicContact CZ-CE3 4.2Å; F678-W683 AromaticContact CZ-CG 3.52Å; F678-W683 HydrophobicContact CZ-CG 3.52Å; F678-F702 HydrophobicContact CD2-CD2 4.03Å; F678-F702 HydrophobicContact CD2-CE2 4.39Å; F678-F702 AromaticContact CE2-CD2 3.66Å; F678-F702 HydrophobicContact CE2-CD2 3.66Å; F678-F702 AromaticContact CE2-CE2 3.86Å; F678-F702 HydrophobicContact CE2-CE2 3.86Å; F678-F702 HydrophobicContact CZ-CD2 4.37Å; F678-M703 HydrophobicContact CB-CG 4.25Å; F678-M703 HydrophobicContact CD2-CB 4.34Å; F678-M703 HydrophobicContact CD2-CG 4.29Å; F678-M703 HydrophobicContact CD2-SD 4.33Å |
| 679 | D | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.1 | -179.7 | -174.1 | -44.1 | 0 | 0 | 0 | 110.1 | S659 N681 S682 W683 F702 P739 Y742 | S659-D679 WeakPolarHBondContact CB-OD1 3.28Å; S659-D679 WeakPolarHBondContact CB-OD2 3.38Å; S659-D679 VanDerWaalsContact OG-CG 3.22Å; S659-D679 PolarHBondContact OG-OD1 3.33Å; S659-D679 PolarHBondContact OG-OD2 2.9Å; D679-N681 PolarHBondContact OD1-N 3.02Å; D679-S682 PolarHBondContact O-N 2.92Å; D679-S682 PolarHBondContact OD1-N 2.78Å; D679-W683 VanDerWaalsContact O-CB 3.31Å; D679-W683 WeakPolarHBondContact O-CB 3.45Å; D679-W683 PolarHBondContact O-N 2.89Å; D679-F702 PolarHBondContact N-O 3.35Å; D679-P739 HydrophobicContact CB-CB 4.37Å; D679-P739 HydrophobicContact CB-CG 3.42Å; D679-P739 VanDerWaalsContact CB-CG 3.42Å; D679-Y742 WeakPolarHBondContact OD2-CE2 3.47Å |
| 680 | V | 88.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.4 | -36.2 | -172 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | V570 P572 Y581 P660 F678 W683 Y684 | V570-V680 HydrophobicContact CB-CG2 4.4Å; V570-V680 HydrophobicContact CG1-CG2 3.72Å; V570-V680 HydrophobicContact CG2-CG2 3.8Å; P572-V680 HydrophobicContact CB-CG1 4.27Å; Y581-V680 HydrophobicContact CD2-CG1 3.53Å; Y581-V680 HydrophobicContact CE2-CG1 3.63Å; P660-V680 VanDerWaalsContact O-CB 3.27Å; P660-V680 WeakPolarHBondContact O-CB 3.37Å; P660-V680 VanDerWaalsContact O-CG2 3.29Å; P660-V680 WeakPolarHBondContact O-CG2 3.32Å; P660-V680 PolarHBondContact O-N 2.76Å; F678-V680 HydrophobicContact CD1-CG2 4.11Å; F678-V680 HydrophobicContact CE1-CG2 4.09Å; V680-W683 HydrophobicContact CG1-CE3 4.44Å; V680-Y684 WeakPolarHBondContact O-CB 3.41Å; V680-Y684 PolarHBondContact O-N 2.84Å |
| 681 | N | 84.2 | Confident | 85.1 | Confident | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70 | -42.6 | 175.4 | -68.5 | -18.5 | 0 | 0 | 0 | 110.4 | E573 S659 P660 D679 W683 Y684 H685 | E573-N681 WeakPolarHBondContact CB-ND2 3.38Å; E573-N681 PolarHBondContact N-OD1 2.89Å; E573-N681 VanDerWaalsContact N-OD1 3.12Å; E573-N681 PolarHBondContact OE2-ND2 3.37Å; S659-N681 VanDerWaalsContact OG-CB 3.27Å; S659-N681 WeakPolarHBondContact OG-CB 3.42Å; S659-N681 PolarHBondContact OG-ND2 2.99Å; P660-N681 WeakPolarHBondContact CD-ND2 3.31Å; D679-N681 PolarHBondContact OD1-N 3.02Å; N681-W683 VanDerWaalsContact C-N 3.35Å; N681-W683 PolarHBondContact O-N 2.97Å; N681-Y684 CarbonylContact O-C 3.53Å; N681-Y684 WeakPolarHBondContact O-CA 3.35Å; N681-Y684 WeakPolarHBondContact O-CB 3.47Å; N681-Y684 PolarHBondContact O-N 3.3Å; N681-Y684 VanDerWaalsContact O-N 3.15Å; N681-H685 PolarHBondContact O-CD2 3.18Å; N681-H685 PolarHBondContact O-N 2.91Å |
| 682 | S | 85.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69 | -32.6 | 178.8 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | D679 H685 A686 Q701 Y737 | D679-S682 PolarHBondContact O-N 2.92Å; D679-S682 PolarHBondContact OD1-N 2.78Å; S682-H685 PolarHBondContact O-N 3.18Å; S682-A686 WeakPolarHBondContact O-CB 3.08Å; S682-A686 PolarHBondContact O-N 3.05Å; S682-Q701 WeakPolarHBondContact CB-O 3.36Å; S682-Y737 PolarHBondContact OG-O 3.04Å |
| 683 | W | 87.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 168.7 | 174.3 | 71.6 | 0 | 0 | 0 | 111.9 | Y581 V601 S628 F629 F678 D679 V680 N681 A686 Q687 T688 P689 F702 | Y581-W683 HydrophobicContact CD1-CH2 4.31Å; Y581-W683 HydrophobicContact CD1-CZ3 4.03Å; Y581-W683 HydrophobicContact CD2-CZ3 4.47Å; Y581-W683 AromaticContact CE1-CH2 3.92Å; Y581-W683 HydrophobicContact CE1-CH2 3.92Å; Y581-W683 AromaticContact CE1-CZ3 3.62Å; Y581-W683 HydrophobicContact CE1-CZ3 3.62Å; Y581-W683 HydrophobicContact CE2-CZ3 4.1Å; Y581-W683 HydrophobicContact CG-CZ3 4.43Å; Y581-W683 AromaticContact CZ-CZ3 3.65Å; V601-W683 HydrophobicContact CG1-CH2 4.35Å; S628-W683 WeakPolarHBondContact O-CZ2 3.36Å; F629-W683 HydrophobicContact CB-CZ2 3.9Å; F678-W683 HydrophobicContact CE1-CB 4.1Å; F678-W683 HydrophobicContact CE1-CD2 4.27Å; F678-W683 HydrophobicContact CE1-CE3 4.34Å; F678-W683 HydrophobicContact CE1-CG 4.18Å; F678-W683 HydrophobicContact CE2-CB 4.49Å; F678-W683 HydrophobicContact CE2-CG 4.26Å; F678-W683 HydrophobicContact CZ-CB 3.8Å; F678-W683 AromaticContact CZ-CD1 3.81Å; F678-W683 AromaticContact CZ-CD2 3.72Å; F678-W683 HydrophobicContact CZ-CD2 3.72Å; F678-W683 HydrophobicContact CZ-CE3 4.2Å; F678-W683 AromaticContact CZ-CG 3.52Å; F678-W683 HydrophobicContact CZ-CG 3.52Å; D679-W683 VanDerWaalsContact O-CB 3.31Å; D679-W683 WeakPolarHBondContact O-CB 3.45Å; D679-W683 PolarHBondContact O-N 2.89Å; V680-W683 HydrophobicContact CG1-CE3 4.44Å; N681-W683 VanDerWaalsContact C-N 3.35Å; N681-W683 PolarHBondContact O-N 2.97Å; W683-A686 PolarHBondContact O-N 3.05Å; W683-Q687 PolarHBondContact O-N 2.86Å; W683-T688 HydrophobicContact CD2-CG2 4.2Å; W683-T688 HydrophobicContact CE3-CG2 4.06Å; W683-T688 HydrophobicContact CH2-CG2 3.95Å; W683-T688 HydrophobicContact CZ2-CG2 4.05Å; W683-T688 HydrophobicContact CZ3-CG2 3.96Å; W683-T688 WeakPolarHBondContact O-CA 3.44Å; W683-T688 PolarHBondContact O-N 2.98Å; W683-P689 PolarHBondContact NE1-O 3.43Å; W683-F702 HydrophobicContact CB-CB 3.65Å; W683-F702 HydrophobicContact CB-CD2 4.05Å; W683-F702 HydrophobicContact CB-CG 3.92Å; W683-F702 AromaticContact CD1-CD2 3.74Å; W683-F702 AromaticContact CD1-CE2 3.89Å; W683-F702 AromaticContact CD1-CG 3.98Å; W683-F702 HydrophobicContact CG-CD2 4.24Å; W683-F702 HydrophobicContact CG-CG 4.37Å; W683-F702 VanDerWaalsContact N-CB 3.28Å |
| 684 | Y | 83.3 | Confident | 82.6 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 173.1 | -172 | -99 | 0 | 0 | 0 | 112.4 | P576 V680 N681 A686 Q687 T688 | P576-Y684 WeakPolarHBondContact CD-OH 3.43Å; V680-Y684 WeakPolarHBondContact O-CB 3.41Å; V680-Y684 PolarHBondContact O-N 2.84Å; N681-Y684 CarbonylContact O-C 3.53Å; N681-Y684 WeakPolarHBondContact O-CA 3.35Å; N681-Y684 WeakPolarHBondContact O-CB 3.47Å; N681-Y684 PolarHBondContact O-N 3.3Å; N681-Y684 VanDerWaalsContact O-N 3.15Å; Y684-A686 VanDerWaalsContact C-N 3.33Å; Y684-A686 PolarHBondContact O-N 2.61Å; Y684-Q687 WeakPolarHBondContact O-CA 3.39Å; Y684-Q687 PolarHBondContact O-N 2.81Å; Y684-T688 HydrophobicContact CD2-CG2 3.79Å |
| 685 | H | 81.5 | Confident | 80.4 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 172.3 | -78 | -66.1 | 0 | 0 | 0 | 112.1 | N681 S682 Q687 | N681-H685 PolarHBondContact O-CD2 3.18Å; N681-H685 PolarHBondContact O-N 2.91Å; S682-H685 PolarHBondContact O-N 3.18Å; H685-Q687 PolarHBondContact O-N 2.82Å; H685-Q687 PolarHBondContact O-NE2 3.13Å |
| 686 | A | 82.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 8.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S682 W683 Y684 P689 Q701 F702 | S682-A686 WeakPolarHBondContact O-CB 3.08Å; S682-A686 PolarHBondContact O-N 3.05Å; W683-A686 PolarHBondContact O-N 3.05Å; Y684-A686 VanDerWaalsContact C-N 3.33Å; Y684-A686 PolarHBondContact O-N 2.61Å; A686-P689 WeakPolarHBondContact O-CD 3.42Å; A686-Q701 HydrophobicContact CB-CB 4.37Å; A686-F702 HydrophobicContact CB-CD1 4Å |
| 687 | Q | 84.8 | Confident | 75.3 | Confident | 153 Ų | 153 | 55.1 Ų | 55.1 | 72% | 0.715 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 30.2 | 179.9 | -48.9 | -58.5 | -74.2 | 0 | 0 | 115.2 | W683 Y684 H685 | W683-Q687 PolarHBondContact O-N 2.86Å; Y684-Q687 WeakPolarHBondContact O-CA 3.39Å; Y684-Q687 PolarHBondContact O-N 2.81Å; H685-Q687 PolarHBondContact O-N 2.82Å; H685-Q687 PolarHBondContact O-NE2 3.13Å |
| 688 | T | 85.2 | Confident | 73.6 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | trans | 54 | 56.5 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | W683 Y684 | W683-T688 HydrophobicContact CD2-CG2 4.2Å; W683-T688 HydrophobicContact CE3-CG2 4.06Å; W683-T688 HydrophobicContact CH2-CG2 3.95Å; W683-T688 HydrophobicContact CZ2-CG2 4.05Å; W683-T688 HydrophobicContact CZ3-CG2 3.96Å; W683-T688 WeakPolarHBondContact O-CA 3.44Å; W683-T688 PolarHBondContact O-N 2.98Å; Y684-T688 HydrophobicContact CD2-CG2 3.79Å | ||
| 689 | P | 83.9 | Confident | 72.6 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | trans | -61.4 | 138.6 | 178.8 | 26.1 | -34.5 | 0 | 0 | 0 | 110.9 | F629 W683 A686 S691 F702 | F629-P689 WeakPolarHBondContact CD2-O 3.48Å; W683-P689 PolarHBondContact NE1-O 3.43Å; A686-P689 WeakPolarHBondContact O-CD 3.42Å; P689-S691 VanDerWaalsContact C-N 3.31Å; P689-S691 PolarHBondContact O-N 3.23Å; P689-F702 HydrophobicContact CG-CD1 4.11Å; P689-F702 HydrophobicContact CG-CE1 3.43Å; P689-F702 VanDerWaalsContact CG-CE1 3.43Å; P689-F702 HydrophobicContact CG-CZ 3.79Å | ||
| 690 | G | 83.3 | Confident | 72.2 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.6 | -16.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | S628 F629 S630 | S628-G690 WeakPolarHBondContact O-CA 3.49Å; F629-G690 WeakPolarHBondContact CA-O 3.47Å; S630-G690 PolarHBondContact N-O 3.25Å |
| 691 | S | 82 | Confident | 72.1 | Confident | 71 Ų | 71 | 63 Ų | 63 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -163 | 175.8 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 108.7 | P689 S693 | P689-S691 VanDerWaalsContact C-N 3.31Å; P689-S691 PolarHBondContact O-N 3.23Å; S691-S693 PolarHBondContact O-N 3.37Å |
| 692 | I | 75.5 | Confident | 72.2 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | trans | -83.2 | 105.5 | 174.2 | -53.9 | 172.4 | 0 | 0 | 0 | 108.5 | F629 M631 F702 M703 | F629-I692 HydrophobicContact CE2-CG1 3.96Å; F629-I692 HydrophobicContact CZ-CD1 4.35Å; F629-I692 HydrophobicContact CZ-CG1 4.04Å; M631-I692 HydrophobicContact SD-CD1 3.68Å; I692-F702 HydrophobicContact CG1-CZ 4.26Å; I692-M703 HydrophobicContact CD1-CE 3.43Å; I692-M703 VanDerWaalsContact CD1-CE 3.43Å; I692-M703 HydrophobicContact CD1-SD 4.4Å | ||
| 693 | S | 58.8 | Low | 72.3 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | trans | -67.7 | 139 | 170.2 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | S691 G695 | S691-S693 PolarHBondContact O-N 3.37Å; S693-G695 PolarHBondContact O-N 3.14Å | ||
| 694 | S | 49.7 | Very low | 72.3 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | trans | -58.7 | 121.6 | 171.4 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 695 | G | 39.2 | Very low | 72.4 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | trans | -154.8 | 148 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S693 | S693-G695 PolarHBondContact O-N 3.14Š| ||
| 696 | Y | 35.2 | Very low | 72.7 | Confident | 146 Ų | 146 | 54 Ų | 54 | 57% | 0.573 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -82.1 | 131.5 | -158.3 | -134 | -87.6 | 0 | 0 | 0 | 114.1 | A19 | A19-Y696 WeakPolarHBondContact CA-OH 3.48Å; A19-Y696 HydrophobicContact CB-CD1 3.84Å; A19-Y696 HydrophobicContact CB-CE1 3.13Å; A19-Y696 HydrophobicContact CB-CE2 4.45Å |
| 697 | L | 39.6 | Very low | 72.9 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 56% | 0.56 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 63.4 | 82.7 | 172.4 | -71.4 | 158.7 | 0 | 0 | 0 | 118 | T318 L699 | T318-L697 HydrophobicContact CG2-CD2 4.34Å; L697-L699 VanDerWaalsContact C-N 3.28Å; L697-L699 PolarHBondContact O-N 2.91Å |
| 698 | G | 53.8 | Low | 73 | Confident | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 79.9 | -25.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119 | A316 T318 A319 | A316-G698 WeakPolarHBondContact O-CA 3.28Å; A316-G698 PolarHBondContact O-N 3.22Å; T318-G698 WeakPolarHBondContact OG1-CA 3.49Å; A319-G698 VanDerWaalsContact CB-O 3.27Å; A319-G698 WeakPolarHBondContact CB-O 3.5Å |
| 699 | L | 70.8 | Confident | 72.5 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | trans | -119.6 | 75.2 | -161.1 | -60.8 | 173 | 0 | 0 | 0 | 111.9 | A319 L697 F735 Y738 C740 L762 | A319-L699 HydrophobicContact CB-CD2 3.61Å; L697-L699 VanDerWaalsContact C-N 3.28Å; L697-L699 PolarHBondContact O-N 2.91Å; L699-F735 HydrophobicContact CB-CE2 4.4Å; L699-F735 HydrophobicContact CD1-CE2 3.95Å; L699-F735 HydrophobicContact CD1-CZ 4.01Å; L699-F735 HydrophobicContact CD2-CZ 4.46Å; L699-Y738 HydrophobicContact CB-CD2 4.48Å; L699-C740 HydrophobicContact CD2-CB 4.29Å; L699-L762 HydrophobicContact CD1-CD2 4.33Å; L699-L762 HydrophobicContact CD2-CD2 3.65Å | ||
| 700 | C | 81.6 | Confident | 72 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | trans | -63.3 | 135.7 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | F317 F702 M703 | F317-C700 HydrophobicContact CE1-CB 4.18Å; F317-C700 HydrophobicContact CZ-CB 4.38Å; C700-F702 PolarHBondContact O-N 2.98Å; C700-M703 WeakPolarHBondContact CB-O 3.42Å | ||
| 701 | Q | 85.7 | Confident | 71.5 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -68.1 | -18.8 | -171.8 | -44.1 | -167.1 | -9.2 | 0 | 0 | 113.7 | S682 A686 Y738 P739 | S682-Q701 WeakPolarHBondContact CB-O 3.36Å; A686-Q701 HydrophobicContact CB-CB 4.37Å; Q701-Y738 HydrophobicContact CB-CD1 4.31Å; Q701-Y738 HydrophobicContact CB-CD2 4.49Å; Q701-Y738 HydrophobicContact CB-CE1 3.93Å; Q701-Y738 HydrophobicContact CB-CE2 4.13Å; Q701-Y738 HydrophobicContact CG-CE1 4.12Å; Q701-Y738 HydrophobicContact CG-CE2 3.87Å; Q701-Y738 WeakPolarHBondContact CG-OH 3.28Å; Q701-Y738 PolarHBondContact NE2-OH 3.28Å; Q701-P739 VanDerWaalsContact O-CD 3.23Å; Q701-P739 WeakPolarHBondContact O-CD 3.44Å |
| 702 | F | 87.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -139 | 2 | -167.6 | 62 | -96.4 | 0 | 0 | 0 | 114.4 | F629 F678 D679 W683 A686 P689 I692 C700 | F629-F702 HydrophobicContact CD2-CE2 4.39Å; F629-F702 AromaticContact CE2-CE2 3.73Å; F629-F702 HydrophobicContact CE2-CE2 3.73Å; F629-F702 HydrophobicContact CE2-CZ 4.07Å; F629-F702 HydrophobicContact CZ-CE2 4.27Å; F678-F702 HydrophobicContact CD2-CD2 4.03Å; F678-F702 HydrophobicContact CD2-CE2 4.39Å; F678-F702 AromaticContact CE2-CD2 3.66Å; F678-F702 HydrophobicContact CE2-CD2 3.66Å; F678-F702 AromaticContact CE2-CE2 3.86Å; F678-F702 HydrophobicContact CE2-CE2 3.86Å; F678-F702 HydrophobicContact CZ-CD2 4.37Å; D679-F702 PolarHBondContact N-O 3.35Å; W683-F702 HydrophobicContact CB-CB 3.65Å; W683-F702 HydrophobicContact CB-CD2 4.05Å; W683-F702 HydrophobicContact CB-CG 3.92Å; W683-F702 AromaticContact CD1-CD2 3.74Å; W683-F702 AromaticContact CD1-CE2 3.89Å; W683-F702 AromaticContact CD1-CG 3.98Å; W683-F702 HydrophobicContact CG-CD2 4.24Å; W683-F702 HydrophobicContact CG-CG 4.37Å; W683-F702 VanDerWaalsContact N-CB 3.28Å; A686-F702 HydrophobicContact CB-CD1 4Å; P689-F702 HydrophobicContact CG-CD1 4.11Å; P689-F702 HydrophobicContact CG-CE1 3.43Å; P689-F702 VanDerWaalsContact CG-CE1 3.43Å; P689-F702 HydrophobicContact CG-CZ 3.79Å; I692-F702 HydrophobicContact CG1-CZ 4.26Å; C700-F702 PolarHBondContact O-N 2.98Å |
| 703 | M | 88 | Confident | 71.6 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 143.2 | 176.4 | -162.8 | -176.6 | 71.1 | 0 | 0 | 111.1 | F317 M631 F664 F676 F677 F678 I692 C700 | F317-M703 HydrophobicContact CE2-CE 4.38Å; F317-M703 HydrophobicContact CZ-CE 3.8Å; M631-M703 HydrophobicContact CE-CE 4.36Å; M631-M703 HydrophobicContact CE-SD 4.21Å; M631-M703 HydrophobicContact SD-CE 3.71Å; M631-M703 HydrophobicContact SD-SD 4Å; F664-M703 HydrophobicContact CZ-SD 4.21Å; F676-M703 HydrophobicContact CB-CG 4.27Å; F676-M703 HydrophobicContact CB-SD 3.97Å; F676-M703 HydrophobicContact CD1-CE 3.53Å; F676-M703 HydrophobicContact CD1-SD 3.92Å; F676-M703 HydrophobicContact CE1-CE 4.01Å; F676-M703 HydrophobicContact CG-CE 4.38Å; F676-M703 HydrophobicContact CG-SD 4.21Å; F677-M703 CarbonylContact O-C 3.54Å; F677-M703 VanDerWaalsContact O-CA 3.25Å; F677-M703 WeakPolarHBondContact O-CA 3.45Å; F678-M703 HydrophobicContact CB-CG 4.25Å; F678-M703 HydrophobicContact CD2-CB 4.34Å; F678-M703 HydrophobicContact CD2-CG 4.29Å; F678-M703 HydrophobicContact CD2-SD 4.33Å; I692-M703 HydrophobicContact CD1-CE 3.43Å; I692-M703 VanDerWaalsContact CD1-CE 3.43Å; I692-M703 HydrophobicContact CD1-SD 4.4Å; C700-M703 WeakPolarHBondContact CB-O 3.42Å |
| 704 | N | 86.8 | Confident | 73 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.8 | 173.8 | -170.6 | 42.6 | 0 | 0 | 0 | 110.9 | Q321 F676 F677 H706 P739 | Q321-N704 VanDerWaalsContact CD-ND2 3.35Å; Q321-N704 PolarHBondContact NE2-ND2 3.34Å; Q321-N704 VanDerWaalsContact NE2-ND2 3.15Å; F676-N704 WeakPolarHBondContact CA-O 3.3Å; F677-N704 PolarHBondContact N-O 3.29Å; F677-N704 PolarHBondContact O-N 2.95Å; N704-H706 PolarHBondContact ND2-CD2 2.97Å; N704-H706 PolarHBondContact ND2-NE2 2.99Å; N704-P739 HydrophobicContact CB-CB 4.16Å |
| 705 | M | 85.8 | Confident | 75 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.7 | 179 | -167.9 | 175.1 | 77.7 | 0 | 0 | 111.6 | F317 T320 Q321 F676 | F317-M705 HydrophobicContact CB-CB 4.41Å; F317-M705 HydrophobicContact CB-CE 3.74Å; F317-M705 HydrophobicContact CD1-CB 3.95Å; F317-M705 HydrophobicContact CD2-CB 4.36Å; F317-M705 HydrophobicContact CD2-CE 4.38Å; F317-M705 HydrophobicContact CD2-SD 4.19Å; F317-M705 HydrophobicContact CE1-CB 4.27Å; F317-M705 HydrophobicContact CG-CB 3.99Å; F317-M705 HydrophobicContact CG-CE 4.25Å; F317-M705 HydrophobicContact CG-SD 4.45Å; T320-M705 WeakPolarHBondContact CA-O 3.33Å; T320-M705 HydrophobicContact CG2-CE 4.09Å; T320-M705 WeakPolarHBondContact OG1-CE 3.44Å; Q321-M705 PolarHBondContact N-O 2.94Å; F676-M705 HydrophobicContact CD1-CB 4.1Å; F676-M705 HydrophobicContact CD1-CG 3.91Å; F676-M705 HydrophobicContact CE1-CB 4.07Å; F676-M705 HydrophobicContact CE1-CG 3.57Å; F676-M705 HydrophobicContact CE1-SD 3.61Å; F676-M705 HydrophobicContact CZ-CG 4.25Å; F676-M705 HydrophobicContact CZ-SD 4.02Å |
| 706 | H | 87.1 | Confident | 77.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.4 | -175.3 | -75.4 | -155.7 | 0 | 0 | 0 | 109.4 | Q321 Y663 F674 A675 N704 L744 F759 | Q321-H706 WeakPolarHBondContact O-CA 3.29Å; Y663-H706 AromaticContact CE2-ND1 3.68Å; Y663-H706 AromaticContact CZ-ND1 3.89Å; Y663-H706 PolarHBondContact OH-ND1 2.79Å; F674-H706 CarbonylContact C-O 3.52Å; F674-H706 WeakPolarHBondContact CA-O 3.18Å; A675-H706 HydrophobicContact CB-CB 4.21Å; A675-H706 PolarHBondContact N-O 2.85Å; A675-H706 PolarHBondContact O-N 2.94Å; N704-H706 PolarHBondContact ND2-CD2 2.97Å; N704-H706 PolarHBondContact ND2-NE2 2.99Å; H706-L744 WeakPolarHBondContact CE1-CD1 3.23Å; H706-F759 HydrophobicContact CB-CD1 4.14Å; H706-F759 HydrophobicContact CB-CE1 3.59Å; H706-F759 HydrophobicContact CB-CZ 3.91Å; H706-F759 AromaticContact CE1-CD1 3.69Å; H706-F759 AromaticContact CE1-CD2 3.77Å; H706-F759 AromaticContact CE1-CG 3.38Å; H706-F759 WeakPolarHBondContact CE1-CG 3.32Å; H706-F759 AromaticContact CG-CD1 3.7Å; H706-F759 AromaticContact CG-CE1 3.66Å; H706-F759 AromaticContact ND1-CD1 3.28Å; H706-F759 VanDerWaalsContact ND1-CD1 3.28Å; H706-F759 WeakPolarHBondContact ND1-CD1 3.35Å; H706-F759 AromaticContact ND1-CD2 3.42Å; H706-F759 WeakPolarHBondContact ND1-CD2 3.41Å; H706-F759 AromaticContact ND1-CE1 3.44Å; H706-F759 WeakPolarHBondContact ND1-CE1 3.47Å; H706-F759 AromaticContact ND1-CE2 3.58Å; H706-F759 AromaticContact ND1-CG 3.26Å; H706-F759 VanDerWaalsContact ND1-CG 3.26Å; H706-F759 WeakPolarHBondContact ND1-CG 3.47Å; H706-F759 AromaticContact ND1-CZ 3.57Å |
| 707 | R | 86.5 | Confident | 80.4 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.6 | 176.2 | -169.4 | 169.1 | -177.1 | 167 | -0.4 | 109.8 | E314 T320 Q321 W322 A323 D672 | E314-R707 IonicContact OE1-NH1 3.27Å; E314-R707 PolarHBondContact OE1-NH1 2.91Å; T320-R707 HydrophobicContact CG2-CB 3.83Å; Q321-R707 PolarHBondContact O-N 3.45Å; W322-R707 CarbonylContact C-O 3.59Å; W322-R707 WeakPolarHBondContact CA-O 3.06Å; W322-R707 HydrophobicContact CE3-CG 4.43Å; W322-R707 HydrophobicContact CH2-CG 4.24Å; W322-R707 HydrophobicContact CZ3-CG 4.13Å; A323-R707 PolarHBondContact N-O 3.42Å; D672-R707 IonicContact OD2-CZ 2.95Å; D672-R707 IonicContact OD2-NE 3.87Å; D672-R707 IonicContact OD2-NH2 2.64Å; D672-R707 PolarHBondContact OD2-NH2 2.83Å |
| 708 | Y | 87 | Confident | 82.8 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -97.1 | 161.9 | 170.5 | -58 | -102.4 | 0 | 0 | 0 | 108.8 | A323 Y663 V673 A675 L711 V746 L748 C757 F759 | A323-Y708 HydrophobicContact CB-CD1 3.64Å; A323-Y708 HydrophobicContact CB-CE1 4.17Å; A323-Y708 HydrophobicContact CB-CG 4.13Å; Y663-Y708 WeakPolarHBondContact CE1-OH 3.49Å; Y663-Y708 PolarHBondContact OH-OH 3.09Å; V673-Y708 HydrophobicContact CB-CD2 4.17Å; V673-Y708 HydrophobicContact CB-CG 4.49Å; V673-Y708 HydrophobicContact CG1-CD2 3.82Å; V673-Y708 HydrophobicContact CG1-CE2 4.28Å; V673-Y708 HydrophobicContact CG1-CG 4.48Å; V673-Y708 PolarHBondContact O-N 3.32Å; A675-Y708 HydrophobicContact CB-CE2 3.95Å; Y708-L711 HydrophobicContact CD1-CD1 3.92Å; Y708-L711 HydrophobicContact CG-CD1 3.89Å; Y708-V746 WeakPolarHBondContact OH-CG1 3.15Å; Y708-L748 HydrophobicContact CD1-CD1 3.94Å; Y708-L748 HydrophobicContact CE1-CD1 3.72Å; Y708-L748 HydrophobicContact CE1-CD2 4.27Å; Y708-L748 HydrophobicContact CE1-CG 4.25Å; Y708-C757 HydrophobicContact CD1-CB 4.33Å; Y708-C757 HydrophobicContact CE1-CB 3.85Å; Y708-F759 HydrophobicContact CD1-CZ 4.18Å; Y708-F759 HydrophobicContact CD2-CZ 4.41Å; Y708-F759 AromaticContact CE1-CE2 3.93Å; Y708-F759 HydrophobicContact CE1-CE2 3.93Å; Y708-F759 AromaticContact CE1-CZ 3.65Å; Y708-F759 HydrophobicContact CE1-CZ 3.65Å; Y708-F759 AromaticContact CE2-CZ 3.9Å; Y708-F759 HydrophobicContact CE2-CZ 3.9Å; Y708-F759 AromaticContact CZ-CE2 3.8Å; Y708-F759 AromaticContact CZ-CZ 3.5Å |
| 709 | N | 76 | Confident | 84.6 | Confident | 88 Ų | 88 | 36.9 Ų | 36.9 | 47% | 0.471 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 171.2 | 164.2 | -60.2 | -37.2 | 0 | 0 | 0 | 109.4 | L711 | N709-L711 WeakPolarHBondContact O-CG 3.48Å; N709-L711 PolarHBondContact O-N 2.92Å |
| 710 | Y | 72 | Confident | 85.4 | Confident | 176 Ų | 176 | 37.8 Ų | 37.8 | 69% | 0.69 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -49.5 | 123.6 | 174.1 | -176.1 | -87 | 0 | 0 | 0 | 112 | ||
| 711 | L | 73.9 | Confident | 85.6 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 9% | 0.094 | 19% | 0.191 | C | C | . | . | trans | -124.1 | 159.3 | -172 | -85.2 | 166.4 | 0 | 0 | 0 | 112.1 | V673 Y708 N709 L748 V755 | V673-L711 HydrophobicContact CB-CD1 4.31Å; V673-L711 HydrophobicContact CG2-CB 4.23Å; V673-L711 HydrophobicContact CG2-CD1 4.26Å; Y708-L711 HydrophobicContact CD1-CD1 3.92Å; Y708-L711 HydrophobicContact CG-CD1 3.89Å; N709-L711 WeakPolarHBondContact O-CG 3.48Å; N709-L711 PolarHBondContact O-N 2.92Å; L711-L748 HydrophobicContact CD1-CD1 3.44Å; L711-L748 VanDerWaalsContact CD1-CD1 3.44Å; L711-V755 HydrophobicContact CD2-CG1 4.19Å; L711-V755 HydrophobicContact CD2-CG2 4.23Å | ||
| 712 | P | 74.5 | Confident | 85.4 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64.1 | 155.4 | 160.3 | -11.6 | 27.5 | 0 | 0 | 0 | 110.8 | V714 T750 K752 | P712-V714 PolarHBondContact O-N 2.89Å; P712-V714 VanDerWaalsContact O-N 3.13Å; P712-T750 HydrophobicContact CB-CG2 4.37Å; P712-K752 HydrophobicContact CB-CD 4.43Å; P712-K752 HydrophobicContact CG-CD 4.39Å |
| 713 | T | 83.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 39.1 Ų | 39.1 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | trans | -45.7 | 118.2 | 177.1 | -46.6 | 0 | 0 | 0 | 0 | 112 | T750 T751 | T713-T750 WeakPolarHBondContact O-CA 3.43Å; T713-T750 WeakPolarHBondContact O-CB 3.14Å; T713-T751 PolarHBondContact O-N 2.87Å | ||
| 714 | V | 89.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.5 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L640 L665 V673 P712 L748 L749 | L640-V714 HydrophobicContact CD1-CG1 4.14Å; L665-V714 HydrophobicContact CD1-CB 4.36Å; L665-V714 HydrophobicContact CD1-CG1 4.1Å; L665-V714 HydrophobicContact CD2-CG1 4.42Å; V673-V714 HydrophobicContact CG2-CG2 4.43Å; P712-V714 PolarHBondContact O-N 2.89Å; P712-V714 VanDerWaalsContact O-N 3.13Å; V714-L748 HydrophobicContact CG1-CB 4.32Å; V714-L748 HydrophobicContact CG1-CD2 4.27Å; V714-L748 HydrophobicContact CG2-CD1 4.16Å; V714-L749 WeakPolarHBondContact CA-O 3.21Å |
| 715 | L | 91.5 | Very high | 82.8 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -40.2 | -175.9 | -57.1 | 179.5 | 0 | 0 | 0 | 112.2 | A347 I359 L640 L749 T751 | A347-L715 HydrophobicContact CB-CD2 4.26Å; A347-L715 WeakPolarHBondContact O-CD2 3.28Å; I359-L715 HydrophobicContact CD1-CD1 4.11Å; I359-L715 HydrophobicContact CG1-CD1 3.96Å; I359-L715 HydrophobicContact CG2-CD1 4.11Å; L640-L715 WeakPolarHBondContact CD1-O 3.34Å; L715-L749 HydrophobicContact CB-CD2 4.24Å; L715-L749 HydrophobicContact CB-CG 4.19Å; L715-L749 HydrophobicContact CD1-CG 4.46Å; L715-L749 PolarHBondContact N-O 2.93Å; L715-T751 HydrophobicContact CD1-CG2 4.05Å; L715-T751 HydrophobicContact CD2-CG2 3.94Å; L715-T751 HydrophobicContact CG-CG2 4.22Å |
| 716 | D | 92.9 | Very high | 81.6 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 171.7 | 176.8 | -168.8 | 6.7 | 0 | 0 | 0 | 108.3 | G350 Y351 R642 L749 | G350-D716 VanDerWaalsContact CA-OD2 3.27Å; G350-D716 WeakPolarHBondContact CA-OD2 3.38Å; Y351-D716 HydrophobicContact CD2-CB 4.07Å; Y351-D716 VanDerWaalsContact CD2-OD2 3.28Å; Y351-D716 WeakPolarHBondContact CD2-OD2 3.29Å; Y351-D716 HydrophobicContact CE2-CB 4.23Å; Y351-D716 PolarHBondContact N-OD2 2.82Å; R642-D716 IonicContact CZ-OD1 3.16Å; R642-D716 IonicContact CZ-OD2 2.76Å; R642-D716 IonicContact NH1-OD1 2.65Å; R642-D716 PolarHBondContact NH1-OD1 2.85Å; R642-D716 IonicContact NH1-OD2 3.64Å; R642-D716 PolarHBondContact NH1-OD2 3.48Å; D716-L749 HydrophobicContact CB-CB 4.38Å; D716-L749 HydrophobicContact CB-CD2 4.22Å; D716-L749 WeakPolarHBondContact O-CB 3.18Å; D716-L749 PolarHBondContact O-N 3.2Å |
| 717 | F | 93.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.7 | 175.6 | 61.2 | -91.3 | 0 | 0 | 0 | 112.1 | L640 R642 Y663 L665 V719 V746 Q747 L748 | L640-F717 HydrophobicContact CB-CD1 4.18Å; L640-F717 HydrophobicContact CB-CE1 3.7Å; R642-F717 HydrophobicContact CB-CD2 4.37Å; R642-F717 HydrophobicContact CB-CE2 3.46Å; R642-F717 VanDerWaalsContact CB-CE2 3.46Å; R642-F717 HydrophobicContact CB-CZ 3.63Å; R642-F717 WeakPolarHBondContact CD-O 3.36Å; R642-F717 PolarHBondContact NE-O 3.26Å; R642-F717 PolarHBondContact NH1-O 3.4Å; Y663-F717 AromaticContact CD1-CD2 3.91Å; Y663-F717 HydrophobicContact CD1-CD2 3.91Å; Y663-F717 AromaticContact CD1-CE2 3.57Å; Y663-F717 HydrophobicContact CD1-CE2 3.57Å; Y663-F717 HydrophobicContact CD1-CZ 4.04Å; Y663-F717 HydrophobicContact CG-CE2 4.24Å; Y663-F717 WeakPolarHBondContact O-CZ 3.33Å; L665-F717 HydrophobicContact CD2-CB 4.18Å; L665-F717 HydrophobicContact CD2-CD1 3.34Å; L665-F717 HydrophobicContact CD2-CE1 3.84Å; L665-F717 HydrophobicContact CD2-CG 3.82Å; L665-F717 HydrophobicContact CG-CD1 3.77Å; L665-F717 HydrophobicContact CG-CE1 3.82Å; F717-V719 HydrophobicContact CD2-CB 4.39Å; F717-V719 HydrophobicContact CD2-CG1 4.29Å; F717-V719 HydrophobicContact CE2-CG1 4.06Å; F717-V746 HydrophobicContact CB-CG1 4.3Å; F717-Q747 CarbonylContact C-O 3.58Å; F717-Q747 WeakPolarHBondContact CA-O 3.35Å; F717-L748 HydrophobicContact CB-CD2 3.72Å |
| 718 | M | 91.3 | Very high | 78.8 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.9 | 163.6 | -64 | -165 | -65.6 | 0 | 0 | 109.8 | Y351 I370 V746 Q747 | Y351-M718 HydrophobicContact CD1-CE 3.82Å; Y351-M718 HydrophobicContact CD1-CG 3.95Å; Y351-M718 HydrophobicContact CD1-SD 3.8Å; Y351-M718 HydrophobicContact CD2-CG 3.57Å; Y351-M718 HydrophobicContact CD2-SD 4.44Å; Y351-M718 HydrophobicContact CE1-CE 3.65Å; Y351-M718 HydrophobicContact CE1-CG 4.08Å; Y351-M718 HydrophobicContact CE1-SD 4.17Å; Y351-M718 HydrophobicContact CE2-CG 3.75Å; Y351-M718 HydrophobicContact CG-CE 4.49Å; Y351-M718 HydrophobicContact CG-CG 3.68Å; Y351-M718 HydrophobicContact CG-SD 3.93Å; I370-M718 HydrophobicContact CD1-CE 4.14Å; M718-V746 CarbonylContact O-C 3.56Å; M718-V746 VanDerWaalsContact O-CA 3.28Å; M718-V746 WeakPolarHBondContact O-CA 3.2Å; M718-V746 WeakPolarHBondContact O-CG1 3.37Å; M718-Q747 PolarHBondContact N-O 3.07Å; M718-Q747 PolarHBondContact O-N 3.48Å |
| 719 | V | 90.6 | Very high | 77.4 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.9 | -177.7 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | T644 Y663 F717 L744 V746 | T644-V719 HydrophobicContact CG2-CG1 4.13Å; T644-V719 HydrophobicContact CG2-CG2 4.38Å; Y663-V719 HydrophobicContact CD1-CB 4.42Å; Y663-V719 HydrophobicContact CD1-CG2 4.49Å; Y663-V719 HydrophobicContact CD2-CG2 4.44Å; Y663-V719 HydrophobicContact CG-CB 4.42Å; Y663-V719 HydrophobicContact CG-CG1 4.49Å; Y663-V719 HydrophobicContact CG-CG2 4.15Å; F717-V719 HydrophobicContact CD2-CB 4.39Å; F717-V719 HydrophobicContact CD2-CG1 4.29Å; F717-V719 HydrophobicContact CE2-CG1 4.06Å; V719-L744 HydrophobicContact CG2-CD1 4.03Å; V719-V746 HydrophobicContact CB-CG2 4.4Å; V719-V746 HydrophobicContact CG2-CG2 4.14Å |
| 720 | S | 88.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 51.6 Ų | 51.6 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 102.5 | -179.5 | -69.7 | 0 | 0 | 0 | 0 | 110.1 | S745 | S720-S745 PolarHBondContact N-O 3.48Å; S720-S745 PolarHBondContact O-N 2.79Å |
| 721 | P | 85.6 | Confident | 75.6 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 146.3 | 174 | 31.6 | -35.8 | 0 | 0 | 0 | 111.9 | T644 F658 F677 L744 | T644-P721 HydrophobicContact CG2-CG 3.92Å; F658-P721 HydrophobicContact CB-CG 4.02Å; F658-P721 HydrophobicContact CD1-CB 3.9Å; F658-P721 HydrophobicContact CD1-CG 4.01Å; F658-P721 HydrophobicContact CG-CB 4.38Å; F658-P721 HydrophobicContact CG-CG 3.99Å; F677-P721 HydrophobicContact CZ-CB 4.01Å; F677-P721 HydrophobicContact CZ-CG 4.49Å; P721-L744 HydrophobicContact CB-CD2 3.58Å |
| 722 | F | 81.8 | Confident | 75.1 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.9 | 170.8 | 60 | -83 | 0 | 0 | 0 | 112 | F658 T724 S743 | F658-F722 VanDerWaalsContact CE1-C 3.5Å; F658-F722 VanDerWaalsContact CZ-CA 3.47Å; F658-F722 HydrophobicContact CZ-CB 4.41Å; F722-T724 HydrophobicContact CD2-CG2 3.88Å; F722-T724 HydrophobicContact CE2-CG2 3.64Å; F722-S743 WeakPolarHBondContact CD1-O 3.41Å; F722-S743 VanDerWaalsContact CE2-CB 3.43Å; F722-S743 PolarHBondContact N-O 3.01Å; F722-S743 PolarHBondContact O-N 3.11Å; F722-S743 VanDerWaalsContact O-O 3.05Å |
| 723 | V | 74.4 | Confident | 74.6 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | trans | -93.5 | 124.4 | 172.6 | 167.4 | 0 | 0 | 0 | 0 | 107.5 | F658 V725 Y742 | F658-V723 HydrophobicContact CE1-CB 4.26Å; F658-V723 HydrophobicContact CE1-CG2 3.69Å; F658-V723 VanDerWaalsContact CE1-N 3.32Å; F658-V723 HydrophobicContact CZ-CB 4.32Å; F658-V723 HydrophobicContact CZ-CG2 4.16Å; V723-V725 WeakPolarHBondContact CG1-O 3.37Å; V723-Y742 HydrophobicContact CG2-CD1 3.84Å; V723-Y742 HydrophobicContact CG2-CE1 3.68Å | ||
| 724 | T | 67.2 | Low | 73.9 | Confident | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -88.3 | -20.6 | 172.5 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | F722 S743 S761 | F722-T724 HydrophobicContact CD2-CG2 3.88Å; F722-T724 HydrophobicContact CE2-CG2 3.64Å; T724-S743 WeakPolarHBondContact CG2-OG 3.27Å; T724-S761 PolarHBondContact OG1-OG 3.38Å |
| 725 | V | 65.4 | Low | 73.3 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | trans | -121.4 | 86.4 | -173.1 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | V723 H727 Q763 F767 L792 | V723-V725 WeakPolarHBondContact CG1-O 3.37Å; V725-H727 HydrophobicContact CG1-CB 4.35Å; V725-H727 PolarHBondContact O-N 3.24Å; V725-Q763 VanDerWaalsContact CB-OE1 3.31Å; V725-Q763 HydrophobicContact CG2-CB 3.95Å; V725-F767 HydrophobicContact CG1-CE2 4.24Å; V725-F767 HydrophobicContact CG2-CD2 4.25Å; V725-F767 HydrophobicContact CG2-CE2 3.87Å; V725-L792 HydrophobicContact CG1-CD2 4.34Å | ||
| 726 | E | 60.2 | Low | 72.5 | Confident | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | trans | -61.1 | -10.5 | 175.9 | -59.9 | 174.6 | 171.8 | 0 | 0 | 113.9 | R728 | E726-R728 VanDerWaalsContact C-N 3.32Å; E726-R728 PolarHBondContact O-N 2.97Å | ||
| 727 | H | 60 | Low | 71.7 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -88 | 63.4 | -161.1 | -68.6 | -42.8 | 0 | 0 | 0 | 114 | V725 H729 L730 S817 K819 S880 | V725-H727 HydrophobicContact CG1-CB 4.35Å; V725-H727 PolarHBondContact O-N 3.24Å; H727-H729 AromaticContact CG-CE1 3.94Å; H727-H729 AromaticContact ND1-CE1 3.7Å; H727-H729 PolarHBondContact O-N 3.02Å; H727-L730 HydrophobicContact CB-CD1 3.97Å; H727-L730 HydrophobicContact CB-CG 4.33Å; H727-L730 PolarHBondContact O-N 3.33Å; H727-S817 PolarHBondContact CD2-O 3.35Å; H727-S817 PolarHBondContact NE2-O 2.85Å; H727-K819 PolarHBondContact CE1-NZ 3.36Å; H727-K819 PolarHBondContact NE2-NZ 2.97Å; H727-S880 PolarHBondContact CE1-OG 3.33Å | ||
| 728 | R | 55.3 | Low | 71.3 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -10.1 | 179.1 | -39.5 | -157.9 | -178.1 | -172.3 | 7.3 | 116.4 | A655 D656 E726 I736 Y737 | A655-R728 PolarHBondContact O-NH2 3.18Å; D656-R728 IonicContact OD1-CZ 2.7Å; D656-R728 IonicContact OD1-NE 3.76Å; D656-R728 IonicContact OD1-NH2 2.65Å; D656-R728 PolarHBondContact OD1-NH2 2.87Å; E726-R728 VanDerWaalsContact C-N 3.32Å; E726-R728 PolarHBondContact O-N 2.97Å; R728-I736 HydrophobicContact CB-CD1 3.69Å; R728-I736 HydrophobicContact CG-CD1 3.4Å; R728-I736 VanDerWaalsContact CG-CD1 3.4Å; R728-Y737 PolarHBondContact NH1-OH 2.87Å |
| 729 | H | 58.4 | Low | 71.1 | Confident | 122 Ų | 122 | 55.8 Ų | 55.8 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.5 | 179.2 | 66 | -91 | 0 | 0 | 0 | 114.1 | H727 | H727-H729 AromaticContact CG-CE1 3.94Å; H727-H729 AromaticContact ND1-CE1 3.7Å; H727-H729 PolarHBondContact O-N 3.02Å |
| 730 | L | 54.5 | Low | 70.8 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -88.1 | -19.4 | 171.4 | -63.2 | 176 | 0 | 0 | 0 | 112.4 | H727 L792 A818 | H727-L730 HydrophobicContact CB-CD1 3.97Å; H727-L730 HydrophobicContact CB-CG 4.33Å; H727-L730 PolarHBondContact O-N 3.33Å; L730-L792 CarbonylContact O-C 3.58Å; L730-L792 VanDerWaalsContact O-O 3.14Å; L730-A818 HydrophobicContact CD1-CB 4.24Å |
| 731 | L | 56.2 | Low | 70.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -96.6 | 143.7 | -165.4 | -65.9 | 170.7 | 0 | 0 | 0 | 111.5 | I736 Q763 G791 L792 | L731-I736 HydrophobicContact CB-CB 4.14Å; L731-I736 HydrophobicContact CD1-CB 3.69Å; L731-I736 HydrophobicContact CD1-CD1 3.79Å; L731-I736 HydrophobicContact CD1-CG1 3.57Å; L731-Q763 VanDerWaalsContact CD2-NE2 3.25Å; L731-G791 WeakPolarHBondContact CD2-O 3.39Å; L731-L792 HydrophobicContact CD2-CD2 3.73Å; L731-L792 HydrophobicContact CD2-CG 4.31Å |
| 732 | E | 61.9 | Low | 70.5 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -55 | 126 | 164.2 | -175.3 | 162.6 | -128.1 | 0 | 0 | 108.7 | D734 F735 I736 R795 | E732-D734 VanDerWaalsContact C-N 3.25Å; E732-D734 PolarHBondContact O-N 3.16Å; E732-F735 HydrophobicContact CB-CB 3.96Å; E732-F735 HydrophobicContact CG-CB 4.44Å; E732-F735 PolarHBondContact O-N 2.83Å; E732-I736 PolarHBondContact O-N 3.25Å; E732-R795 IonicContact OE2-CZ 2.97Å; E732-R795 IonicContact OE2-NH1 2.82Å; E732-R795 PolarHBondContact OE2-NH1 3.35Å | ||
| 733 | P | 64.4 | Low | 70.8 | Confident | 96 Ų | 96 | 48.9 Ų | 48.9 | 62% | 0.623 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.7 | -157.8 | -30.9 | 36.5 | 0 | 0 | 0 | 116.4 | I736 Y737 | P733-I736 WeakPolarHBondContact O-CG2 3.43Å; P733-Y737 WeakPolarHBondContact O-CE2 3.4Å |
| 734 | D | 69 | Low | 71.5 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 65% | 0.647 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -29.1 | 179.2 | -53.5 | -46 | 0 | 0 | 0 | 111.6 | E732 I736 Y737 Y738 | E732-D734 VanDerWaalsContact C-N 3.25Å; E732-D734 PolarHBondContact O-N 3.16Å; D734-I736 VanDerWaalsContact C-N 3.31Å; D734-I736 PolarHBondContact O-N 3.06Å; D734-Y737 PolarHBondContact O-N 3.1Å; D734-Y738 WeakPolarHBondContact O-CD1 3.37Å |
| 735 | F | 77.7 | Confident | 72.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -66 | -31.6 | -175.6 | -170.4 | -105.7 | 0 | 0 | 0 | 112.8 | L699 E732 Y737 Y738 N741 L762 A790 R795 | L699-F735 HydrophobicContact CB-CE2 4.4Å; L699-F735 HydrophobicContact CD1-CE2 3.95Å; L699-F735 HydrophobicContact CD1-CZ 4.01Å; L699-F735 HydrophobicContact CD2-CZ 4.46Å; E732-F735 HydrophobicContact CB-CB 3.96Å; E732-F735 HydrophobicContact CG-CB 4.44Å; E732-F735 PolarHBondContact O-N 2.83Å; F735-Y737 PolarHBondContact O-N 3.2Å; F735-Y737 VanDerWaalsContact O-N 3.12Å; F735-Y738 HydrophobicContact CD2-CD1 4.14Å; F735-Y738 AromaticContact CD2-CD2 3.51Å; F735-Y738 HydrophobicContact CD2-CD2 3.51Å; F735-Y738 HydrophobicContact CD2-CE1 4.28Å; F735-Y738 AromaticContact CD2-CE2 3.68Å; F735-Y738 HydrophobicContact CD2-CE2 3.68Å; F735-Y738 AromaticContact CD2-CG 3.74Å; F735-Y738 HydrophobicContact CD2-CG 3.74Å; F735-Y738 AromaticContact CE2-CD2 3.4Å; F735-Y738 HydrophobicContact CE2-CD2 3.4Å; F735-Y738 AromaticContact CE2-CE2 3.83Å; F735-Y738 HydrophobicContact CE2-CE2 3.83Å; F735-Y738 AromaticContact CE2-CG 3.89Å; F735-Y738 HydrophobicContact CE2-CG 3.89Å; F735-Y738 HydrophobicContact CZ-CD2 4.47Å; F735-Y738 WeakPolarHBondContact O-CB 3.43Å; F735-Y738 PolarHBondContact O-N 3.12Å; F735-N741 WeakPolarHBondContact CD1-ND2 3.49Å; F735-N741 WeakPolarHBondContact CE1-ND2 3.46Å; F735-N741 PolarHBondContact O-ND2 3.31Å; F735-L762 HydrophobicContact CE1-CD2 4.31Å; F735-L762 HydrophobicContact CZ-CD2 3.88Å; F735-A790 VanDerWaalsContact CE1-O 3.28Å; F735-A790 WeakPolarHBondContact CE1-O 3.44Å; F735-R795 VanDerWaalsContact CD2-NH1 3.26Å; F735-R795 VanDerWaalsContact CE2-NH2 3.26Å |
| 736 | I | 74 | Confident | 74 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -52 | -36.6 | 177.7 | -177.8 | 176.1 | 0 | 0 | 0 | 113 | R728 L731 E732 P733 D734 Y738 | R728-I736 HydrophobicContact CB-CD1 3.69Å; R728-I736 HydrophobicContact CG-CD1 3.4Å; R728-I736 VanDerWaalsContact CG-CD1 3.4Å; L731-I736 HydrophobicContact CB-CB 4.14Å; L731-I736 HydrophobicContact CD1-CB 3.69Å; L731-I736 HydrophobicContact CD1-CD1 3.79Å; L731-I736 HydrophobicContact CD1-CG1 3.57Å; E732-I736 PolarHBondContact O-N 3.25Å; P733-I736 WeakPolarHBondContact O-CG2 3.43Å; D734-I736 VanDerWaalsContact C-N 3.31Å; D734-I736 PolarHBondContact O-N 3.06Å; I736-Y738 VanDerWaalsContact C-N 3.26Å; I736-Y738 PolarHBondContact O-N 3.42Å |
| 737 | Y | 76 | Confident | 75.6 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 37% | 0.373 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -81.5 | -0.9 | -176.2 | -54.4 | -69.8 | 0 | 0 | 0 | 113.6 | S682 R728 P733 D734 F735 | S682-Y737 PolarHBondContact OG-O 3.04Å; R728-Y737 PolarHBondContact NH1-OH 2.87Å; P733-Y737 WeakPolarHBondContact O-CE2 3.4Å; D734-Y737 PolarHBondContact O-N 3.1Å; F735-Y737 PolarHBondContact O-N 3.2Å; F735-Y737 VanDerWaalsContact O-N 3.12Å |
| 738 | Y | 85.2 | Confident | 77.2 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -71.1 | 131.9 | 178.9 | -76.9 | 36.2 | 0 | 0 | 0 | 110.3 | L699 Q701 D734 F735 I736 C740 N741 | L699-Y738 HydrophobicContact CB-CD2 4.48Å; Q701-Y738 HydrophobicContact CB-CD1 4.31Å; Q701-Y738 HydrophobicContact CB-CD2 4.49Å; Q701-Y738 HydrophobicContact CB-CE1 3.93Å; Q701-Y738 HydrophobicContact CB-CE2 4.13Å; Q701-Y738 HydrophobicContact CG-CE1 4.12Å; Q701-Y738 HydrophobicContact CG-CE2 3.87Å; Q701-Y738 WeakPolarHBondContact CG-OH 3.28Å; Q701-Y738 PolarHBondContact NE2-OH 3.28Å; D734-Y738 WeakPolarHBondContact O-CD1 3.37Å; F735-Y738 HydrophobicContact CD2-CD1 4.14Å; F735-Y738 AromaticContact CD2-CD2 3.51Å; F735-Y738 HydrophobicContact CD2-CD2 3.51Å; F735-Y738 HydrophobicContact CD2-CE1 4.28Å; F735-Y738 AromaticContact CD2-CE2 3.68Å; F735-Y738 HydrophobicContact CD2-CE2 3.68Å; F735-Y738 AromaticContact CD2-CG 3.74Å; F735-Y738 HydrophobicContact CD2-CG 3.74Å; F735-Y738 AromaticContact CE2-CD2 3.4Å; F735-Y738 HydrophobicContact CE2-CD2 3.4Å; F735-Y738 AromaticContact CE2-CE2 3.83Å; F735-Y738 HydrophobicContact CE2-CE2 3.83Å; F735-Y738 AromaticContact CE2-CG 3.89Å; F735-Y738 HydrophobicContact CE2-CG 3.89Å; F735-Y738 HydrophobicContact CZ-CD2 4.47Å; F735-Y738 WeakPolarHBondContact O-CB 3.43Å; F735-Y738 PolarHBondContact O-N 3.12Å; I736-Y738 VanDerWaalsContact C-N 3.26Å; I736-Y738 PolarHBondContact O-N 3.42Å; Y738-C740 PolarHBondContact O-N 3.24Å; Y738-N741 WeakPolarHBondContact O-CB 3.48Å; Y738-N741 PolarHBondContact O-N 3.41Å |
| 739 | P | 86.8 | Confident | 79 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -64.4 | -15.8 | -170.1 | -31.8 | 41.2 | 0 | 0 | 0 | 116.6 | F677 D679 Q701 N704 N741 Y742 | F677-P739 HydrophobicContact CD1-CB 3.81Å; F677-P739 HydrophobicContact CE1-CB 4.21Å; D679-P739 HydrophobicContact CB-CB 4.37Å; D679-P739 HydrophobicContact CB-CG 3.42Å; D679-P739 VanDerWaalsContact CB-CG 3.42Å; Q701-P739 VanDerWaalsContact O-CD 3.23Å; Q701-P739 WeakPolarHBondContact O-CD 3.44Å; N704-P739 HydrophobicContact CB-CB 4.16Å; P739-N741 PolarHBondContact O-N 3.12Å; P739-Y742 HydrophobicContact CB-CD2 4.42Å; P739-Y742 PolarHBondContact O-N 3.36Å |
| 740 | C | 85.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -62.4 | -15.1 | 169.4 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | Q321 L699 Y738 S761 L762 | Q321-C740 PolarHBondContact NE2-O 3.2Å; L699-C740 HydrophobicContact CD2-CB 4.29Å; Y738-C740 PolarHBondContact O-N 3.24Å; C740-S761 WeakPolarHBondContact O-CA 3.11Å; C740-L762 HydrophobicContact CB-CB 4.39Å; C740-L762 PolarHBondContact O-N 2.79Å |
| 741 | N | 83.1 | Confident | 82 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -92.8 | -9 | -178.8 | -63 | -33.5 | 0 | 0 | 0 | 113.8 | F735 Y738 P739 S761 Q763 | F735-N741 WeakPolarHBondContact CD1-ND2 3.49Å; F735-N741 WeakPolarHBondContact CE1-ND2 3.46Å; F735-N741 PolarHBondContact O-ND2 3.31Å; Y738-N741 WeakPolarHBondContact O-CB 3.48Å; Y738-N741 PolarHBondContact O-N 3.41Å; P739-N741 PolarHBondContact O-N 3.12Å; N741-S761 VanDerWaalsContact C-CB 3.46Å; N741-S761 WeakPolarHBondContact O-CB 3.37Å; N741-Q763 PolarHBondContact ND2-NE2 2.78Å; N741-Q763 PolarHBondContact OD1-NE2 3.4Å |
| 742 | Y | 84.9 | Confident | 83.4 | Confident | 27 Ų | 27 | 36.2 Ų | 36.2 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | trans | -75.2 | 146.7 | 163.2 | -65.7 | -72.9 | 0 | 0 | 0 | 110.7 | F658 F677 D679 V723 P739 S761 | F658-Y742 AromaticContact CD1-CD1 3.82Å; F658-Y742 HydrophobicContact CD1-CD1 3.82Å; F658-Y742 AromaticContact CD1-CE1 3.56Å; F658-Y742 HydrophobicContact CD1-CE1 3.56Å; F658-Y742 AromaticContact CE1-CD1 3.78Å; F658-Y742 HydrophobicContact CE1-CD1 3.78Å; F658-Y742 AromaticContact CE1-CE1 3.71Å; F658-Y742 HydrophobicContact CE1-CE1 3.71Å; F677-Y742 HydrophobicContact CD1-CD2 4.49Å; F677-Y742 AromaticContact CE1-CD2 3.62Å; F677-Y742 HydrophobicContact CE1-CD2 3.62Å; F677-Y742 HydrophobicContact CE1-CE2 4.32Å; F677-Y742 HydrophobicContact CE1-CG 4.06Å; F677-Y742 HydrophobicContact CZ-CD2 4.47Å; D679-Y742 WeakPolarHBondContact OD2-CE2 3.47Å; V723-Y742 HydrophobicContact CG2-CD1 3.84Å; V723-Y742 HydrophobicContact CG2-CE1 3.68Å; P739-Y742 HydrophobicContact CB-CD2 4.42Å; P739-Y742 PolarHBondContact O-N 3.36Å; Y742-S761 WeakPolarHBondContact O-CA 3.31Å; Y742-S761 VanDerWaalsContact O-CB 3.31Å; Y742-S761 WeakPolarHBondContact O-CB 3.48Å | ||
| 743 | S | 87.7 | Confident | 84.8 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 143.9 | 158.2 | -61.1 | 0 | 0 | 0 | 0 | 108 | F722 T724 F759 S761 | F722-S743 WeakPolarHBondContact CD1-O 3.41Å; F722-S743 VanDerWaalsContact CE2-CB 3.43Å; F722-S743 PolarHBondContact N-O 3.01Å; F722-S743 PolarHBondContact O-N 3.11Å; F722-S743 VanDerWaalsContact O-O 3.05Å; T724-S743 WeakPolarHBondContact CG2-OG 3.27Å; S743-F759 CarbonylContact C-O 3.55Å; S743-F759 WeakPolarHBondContact CA-O 3.24Å; S743-F759 WeakPolarHBondContact CB-O 3.45Å; S743-S761 PolarHBondContact OG-N 3.26Å |
| 744 | L | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142 | 176.7 | -53.9 | -171.3 | 0 | 0 | 0 | 110.6 | Y663 F677 H706 V719 P721 V746 T758 F759 | Y663-L744 HydrophobicContact CD2-CD1 3.85Å; Y663-L744 HydrophobicContact CE2-CD1 3.52Å; F677-L744 HydrophobicContact CB-CD1 4.18Å; F677-L744 HydrophobicContact CD1-CD2 4.3Å; F677-L744 HydrophobicContact CD2-CD1 3.96Å; F677-L744 HydrophobicContact CD2-CD2 4.26Å; F677-L744 HydrophobicContact CE1-CD2 4.14Å; F677-L744 HydrophobicContact CE2-CD2 4.06Å; F677-L744 HydrophobicContact CG-CD1 3.97Å; F677-L744 HydrophobicContact CG-CD2 4.37Å; F677-L744 HydrophobicContact CZ-CD2 4.02Å; H706-L744 WeakPolarHBondContact CE1-CD1 3.23Å; V719-L744 HydrophobicContact CG2-CD1 4.03Å; P721-L744 HydrophobicContact CB-CD2 3.58Å; L744-V746 HydrophobicContact CB-CG2 4.06Å; L744-V746 HydrophobicContact CD1-CG2 4.42Å; L744-T758 CarbonylContact O-C 3.51Å; L744-T758 WeakPolarHBondContact O-CA 3.45Å; L744-F759 HydrophobicContact CB-CB 4.29Å; L744-F759 HydrophobicContact CB-CD2 4.15Å; L744-F759 PolarHBondContact N-O 3.01Å; L744-F759 PolarHBondContact O-N 3.19Å |
| 745 | S | 91.1 | Very high | 87.3 | Confident | 45 Ų | 45 | 22.6 Ų | 22.6 | 32% | 0.315 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.8 | 154.5 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | S720 | S720-S745 PolarHBondContact N-O 3.48Å; S720-S745 PolarHBondContact O-N 2.79Å |
| 746 | V | 93 | Very high | 88 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.8 | 179.8 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | Y663 Y708 F717 M718 V719 L744 L748 C757 F759 | Y663-V746 HydrophobicContact CE1-CG1 4.17Å; Y663-V746 HydrophobicContact CE1-CG2 4.19Å; Y708-V746 WeakPolarHBondContact OH-CG1 3.15Å; F717-V746 HydrophobicContact CB-CG1 4.3Å; M718-V746 CarbonylContact O-C 3.56Å; M718-V746 VanDerWaalsContact O-CA 3.28Å; M718-V746 WeakPolarHBondContact O-CA 3.2Å; M718-V746 WeakPolarHBondContact O-CG1 3.37Å; V719-V746 HydrophobicContact CB-CG2 4.4Å; V719-V746 HydrophobicContact CG2-CG2 4.14Å; L744-V746 HydrophobicContact CB-CG2 4.06Å; L744-V746 HydrophobicContact CD1-CG2 4.42Å; V746-L748 HydrophobicContact CG1-CD2 3.81Å; V746-C757 PolarHBondContact N-O 3.25Å; V746-C757 PolarHBondContact O-N 3.32Å; V746-F759 HydrophobicContact CB-CE2 4.33Å; V746-F759 HydrophobicContact CG2-CD2 4.05Å; V746-F759 HydrophobicContact CG2-CE2 3.86Å |
| 747 | Q | 93.6 | Very high | 88.9 | Confident | 30 Ų | 30 | 22.6 Ų | 22.6 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122 | 170.2 | -173.4 | 176.5 | 88.9 | 0 | 0 | 108.8 | Y351 F717 M718 L754 V755 N756 | Y351-Q747 WeakPolarHBondContact OH-CG 3.27Å; Y351-Q747 PolarHBondContact OH-O 2.89Å; Y351-Q747 PolarHBondContact OH-OE1 3.46Å; F717-Q747 CarbonylContact C-O 3.58Å; F717-Q747 WeakPolarHBondContact CA-O 3.35Å; M718-Q747 PolarHBondContact N-O 3.07Å; M718-Q747 PolarHBondContact O-N 3.48Å; Q747-L754 HydrophobicContact CG-CB 4.23Å; Q747-V755 WeakPolarHBondContact CA-O 3.4Å; Q747-N756 WeakPolarHBondContact CG-OD1 3.27Å; Q747-N756 PolarHBondContact NE2-OD1 2.92Å |
| 748 | L | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.3 | 176.2 | -54.2 | 179.5 | 0 | 0 | 0 | 109.8 | L665 Y708 L711 V714 F717 V746 L754 V755 | L665-L748 HydrophobicContact CD2-CD2 3.82Å; Y708-L748 HydrophobicContact CD1-CD1 3.94Å; Y708-L748 HydrophobicContact CE1-CD1 3.72Å; Y708-L748 HydrophobicContact CE1-CD2 4.27Å; Y708-L748 HydrophobicContact CE1-CG 4.25Å; L711-L748 HydrophobicContact CD1-CD1 3.44Å; L711-L748 VanDerWaalsContact CD1-CD1 3.44Å; V714-L748 HydrophobicContact CG1-CB 4.32Å; V714-L748 HydrophobicContact CG1-CD2 4.27Å; V714-L748 HydrophobicContact CG2-CD1 4.16Å; F717-L748 HydrophobicContact CB-CD2 3.72Å; V746-L748 HydrophobicContact CG1-CD2 3.81Å; L748-L754 CarbonylContact O-C 3.54Å; L748-L754 VanDerWaalsContact O-CA 3.3Å; L748-L754 WeakPolarHBondContact O-CA 3.37Å; L748-V755 HydrophobicContact CB-CB 4.35Å; L748-V755 PolarHBondContact N-O 3.37Å; L748-V755 PolarHBondContact O-N 3.47Å |
| 749 | L | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.4 | 164.6 | 176.4 | 63.3 | 0 | 0 | 0 | 108.4 | F331 Y351 A357 I359 V714 L715 D716 L754 | F331-L749 HydrophobicContact CE2-CD1 3.86Å; F331-L749 HydrophobicContact CZ-CD1 3.64Å; Y351-L749 HydrophobicContact CE2-CB 3.78Å; Y351-L749 PolarHBondContact OH-N 2.83Å; A357-L749 HydrophobicContact CB-CD1 3.93Å; A357-L749 HydrophobicContact CB-CD2 4.17Å; I359-L749 HydrophobicContact CD1-CD1 4.41Å; I359-L749 HydrophobicContact CG1-CD1 4.49Å; V714-L749 WeakPolarHBondContact CA-O 3.21Å; L715-L749 HydrophobicContact CB-CD2 4.24Å; L715-L749 HydrophobicContact CB-CG 4.19Å; L715-L749 HydrophobicContact CD1-CG 4.46Å; L715-L749 PolarHBondContact N-O 2.93Å; D716-L749 HydrophobicContact CB-CB 4.38Å; D716-L749 HydrophobicContact CB-CD2 4.22Å; D716-L749 WeakPolarHBondContact O-CB 3.18Å; D716-L749 PolarHBondContact O-N 3.2Å; L749-L754 HydrophobicContact CB-CD2 4.4Å; L749-L754 HydrophobicContact CD1-CD2 3.75Å |
| 750 | T | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 167 | 175.1 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | P712 T713 K752 G753 V755 | P712-T750 HydrophobicContact CB-CG2 4.37Å; T713-T750 WeakPolarHBondContact O-CA 3.43Å; T713-T750 WeakPolarHBondContact O-CB 3.14Å; T750-K752 PolarHBondContact O-N 3.43Å; T750-K752 PolarHBondContact OG1-N 3.31Å; T750-G753 PolarHBondContact N-O 2.6Å; T750-G753 PolarHBondContact O-N 3.14Å; T750-G753 PolarHBondContact OG1-N 3.43Å; T750-G753 PolarHBondContact OG1-O 2.77Å; T750-V755 HydrophobicContact CG2-CG2 4.11Å |
| 751 | T | 85.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 20.7 Ų | 20.7 | 22% | 0.221 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -9.5 | 172.9 | 54 | 0 | 0 | 0 | 0 | 115 | V344 A347 T713 L715 | V344-T751 HydrophobicContact CG1-CG2 4.13Å; A347-T751 HydrophobicContact CB-CG2 3.93Å; T713-T751 PolarHBondContact O-N 2.87Å; L715-T751 HydrophobicContact CD1-CG2 4.05Å; L715-T751 HydrophobicContact CD2-CG2 3.94Å; L715-T751 HydrophobicContact CG-CG2 4.22Å |
| 752 | K | 85 | Confident | 90 | Very high | 146 Ų | 146 | 21.7 Ų | 21.7 | 64% | 0.635 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -20.8 | -178.5 | -64 | -178.7 | -179.6 | 176.6 | 0 | 114.7 | P330 F331 P712 T750 | P330-K752 WeakPolarHBondContact CA-O 3.37Å; F331-K752 PolarHBondContact N-O 2.73Å; P712-K752 HydrophobicContact CB-CD 4.43Å; P712-K752 HydrophobicContact CG-CD 4.39Å; T750-K752 PolarHBondContact O-N 3.43Å; T750-K752 PolarHBondContact OG1-N 3.31Å |
| 753 | G | 90.6 | Very high | 90 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.9 | -171.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L329 F331 T750 | L329-G753 CarbonylContact O-C 3.54Å; L329-G753 VanDerWaalsContact O-CA 3.24Å; L329-G753 WeakPolarHBondContact O-CA 3.28Å; F331-G753 VanDerWaalsContact CD2-CA 3.44Å; F331-G753 VanDerWaalsContact CE2-CA 3.42Å; T750-G753 PolarHBondContact N-O 2.6Å; T750-G753 PolarHBondContact O-N 3.14Å; T750-G753 PolarHBondContact OG1-N 3.43Å; T750-G753 PolarHBondContact OG1-O 2.77Å |
| 754 | L | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 143.7 | 174.2 | -53.6 | 176.2 | 0 | 0 | 0 | 110.1 | L329 F331 Y351 I370 L373 Q747 L748 L749 | L329-L754 HydrophobicContact CB-CB 4.25Å; L329-L754 PolarHBondContact N-O 2.85Å; L329-L754 PolarHBondContact O-N 2.9Å; F331-L754 HydrophobicContact CE1-CD2 4.33Å; F331-L754 HydrophobicContact CE1-CG 4.08Å; F331-L754 HydrophobicContact CZ-CD2 3.82Å; F331-L754 HydrophobicContact CZ-CG 3.98Å; Y351-L754 HydrophobicContact CE1-CD2 4.29Å; I370-L754 HydrophobicContact CB-CD1 4.4Å; I370-L754 HydrophobicContact CG1-CD1 4.46Å; I370-L754 HydrophobicContact CG2-CD1 3.82Å; L373-L754 HydrophobicContact CD2-CD1 3.87Å; L373-L754 HydrophobicContact CD2-CG 4.3Å; Q747-L754 HydrophobicContact CG-CB 4.23Å; L748-L754 CarbonylContact O-C 3.54Å; L748-L754 VanDerWaalsContact O-CA 3.3Å; L748-L754 WeakPolarHBondContact O-CA 3.37Å; L749-L754 HydrophobicContact CB-CD2 4.4Å; L749-L754 HydrophobicContact CD1-CD2 3.75Å |
| 755 | V | 92.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.036 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.2 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | V325 E328 L711 Q747 L748 T750 | V325-V755 HydrophobicContact CG1-CG1 3.99Å; E328-V755 HydrophobicContact CG-CG1 4.2Å; E328-V755 HydrophobicContact CG-CG2 4.31Å; L711-V755 HydrophobicContact CD2-CG1 4.19Å; L711-V755 HydrophobicContact CD2-CG2 4.23Å; Q747-V755 WeakPolarHBondContact CA-O 3.4Å; L748-V755 HydrophobicContact CB-CB 4.35Å; L748-V755 PolarHBondContact N-O 3.37Å; L748-V755 PolarHBondContact O-N 3.47Å; T750-V755 HydrophobicContact CG2-CG2 4.11Å |
| 756 | N | 93 | Very high | 89.7 | Confident | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.144 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.6 | 177 | -67.9 | -25.6 | 0 | 0 | 0 | 109.3 | Q326 D327 Q747 | Q326-N756 HydrophobicContact CB-CB 4.23Å; Q326-N756 PolarHBondContact N-O 3.45Å; D327-N756 HydrophobicContact CB-CB 4.39Å; D327-N756 PolarHBondContact O-N 3.32Å; D327-N756 PolarHBondContact OD2-ND2 2.93Å; D327-N756 VanDerWaalsContact OD2-ND2 3.16Å; Q747-N756 WeakPolarHBondContact CG-OD1 3.27Å; Q747-N756 PolarHBondContact NE2-OD1 2.92Å |
| 757 | C | 92.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.7 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | A323 V324 Y708 V746 F759 | A323-C757 HydrophobicContact CB-CB 4.32Å; V324-C757 CarbonylContact O-C 3.58Å; V324-C757 WeakPolarHBondContact O-CA 3.48Å; Y708-C757 HydrophobicContact CD1-CB 4.33Å; Y708-C757 HydrophobicContact CE1-CB 3.85Å; V746-C757 PolarHBondContact N-O 3.25Å; V746-C757 PolarHBondContact O-N 3.32Å; C757-F759 HydrophobicContact CB-CE2 4.44Å |
| 758 | T | 92 | Very high | 89.2 | Confident | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.6 | 171.1 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | V324 Q326 L744 | V324-T758 PolarHBondContact N-O 2.78Å; V324-T758 PolarHBondContact O-N 2.88Å; V324-T758 PolarHBondContact O-OG1 2.76Å; Q326-T758 VanDerWaalsContact CD-CG2 3.46Å; Q326-T758 HydrophobicContact CG-CG2 4.11Å; L744-T758 CarbonylContact O-C 3.51Å; L744-T758 WeakPolarHBondContact O-CA 3.45Å |
| 759 | F | 89.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.3 | 175.5 | -63.4 | -88.5 | 0 | 0 | 0 | 107.9 | Q321 A323 Y663 H706 Y708 S743 L744 V746 C757 | Q321-F759 HydrophobicContact CB-CD1 4.01Å; Q321-F759 WeakPolarHBondContact O-CD1 3.36Å; Q321-F759 VanDerWaalsContact O-CE1 3.29Å; Q321-F759 WeakPolarHBondContact O-CE1 3.32Å; A323-F759 VanDerWaalsContact CA-CE1 3.46Å; A323-F759 HydrophobicContact CB-CD1 4.4Å; A323-F759 HydrophobicContact CB-CE1 3.57Å; A323-F759 HydrophobicContact CB-CE2 4.33Å; A323-F759 HydrophobicContact CB-CZ 3.53Å; Y663-F759 WeakPolarHBondContact OH-CE2 3.25Å; H706-F759 HydrophobicContact CB-CD1 4.14Å; H706-F759 HydrophobicContact CB-CE1 3.59Å; H706-F759 HydrophobicContact CB-CZ 3.91Å; H706-F759 AromaticContact CE1-CD1 3.69Å; H706-F759 AromaticContact CE1-CD2 3.77Å; H706-F759 AromaticContact CE1-CG 3.38Å; H706-F759 WeakPolarHBondContact CE1-CG 3.32Å; H706-F759 AromaticContact CG-CD1 3.7Å; H706-F759 AromaticContact CG-CE1 3.66Å; H706-F759 AromaticContact ND1-CD1 3.28Å; H706-F759 VanDerWaalsContact ND1-CD1 3.28Å; H706-F759 WeakPolarHBondContact ND1-CD1 3.35Å; H706-F759 AromaticContact ND1-CD2 3.42Å; H706-F759 WeakPolarHBondContact ND1-CD2 3.41Å; H706-F759 AromaticContact ND1-CE1 3.44Å; H706-F759 WeakPolarHBondContact ND1-CE1 3.47Å; H706-F759 AromaticContact ND1-CE2 3.58Å; H706-F759 AromaticContact ND1-CG 3.26Å; H706-F759 VanDerWaalsContact ND1-CG 3.26Å; H706-F759 WeakPolarHBondContact ND1-CG 3.47Å; H706-F759 AromaticContact ND1-CZ 3.57Å; Y708-F759 HydrophobicContact CD1-CZ 4.18Å; Y708-F759 HydrophobicContact CD2-CZ 4.41Å; Y708-F759 AromaticContact CE1-CE2 3.93Å; Y708-F759 HydrophobicContact CE1-CE2 3.93Å; Y708-F759 AromaticContact CE1-CZ 3.65Å; Y708-F759 HydrophobicContact CE1-CZ 3.65Å; Y708-F759 AromaticContact CE2-CZ 3.9Å; Y708-F759 HydrophobicContact CE2-CZ 3.9Å; Y708-F759 AromaticContact CZ-CE2 3.8Å; Y708-F759 AromaticContact CZ-CZ 3.5Å; S743-F759 CarbonylContact C-O 3.55Å; S743-F759 WeakPolarHBondContact CA-O 3.24Å; S743-F759 WeakPolarHBondContact CB-O 3.45Å; L744-F759 HydrophobicContact CB-CB 4.29Å; L744-F759 HydrophobicContact CB-CD2 4.15Å; L744-F759 PolarHBondContact N-O 3.01Å; L744-F759 PolarHBondContact O-N 3.19Å; V746-F759 HydrophobicContact CB-CE2 4.33Å; V746-F759 HydrophobicContact CG2-CD2 4.05Å; V746-F759 HydrophobicContact CG2-CE2 3.86Å; C757-F759 HydrophobicContact CB-CE2 4.44Å |
| 760 | Q | 86.7 | Confident | 88.5 | Confident | 77 Ų | 77 | 27.4 Ų | 27.4 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | trans | -77.3 | 133 | 171.5 | -71.3 | 177.2 | -31 | 0 | 0 | 110.3 | Q321 E764 K765 | Q321-Q760 PolarHBondContact OE1-O 3.32Å; Q760-E764 HydrophobicContact CB-CB 4.23Å; Q760-E764 HydrophobicContact CB-CG 4.21Å; Q760-E764 HydrophobicContact CG-CG 4.17Å; Q760-K765 HydrophobicContact CB-CD 4.38Å; Q760-K765 HydrophobicContact CB-CG 3.88Å; Q760-K765 VanDerWaalsContact O-CD 3.31Å; Q760-K765 WeakPolarHBondContact O-CD 3.42Å; Q760-K765 WeakPolarHBondContact O-CE 3.26Å; Q760-K765 PolarHBondContact O-NZ 3.45Å | ||
| 761 | S | 86.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -53.7 | 159 | 174.1 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | T724 C740 N741 Y742 S743 Q763 E764 K765 | T724-S761 PolarHBondContact OG1-OG 3.38Å; C740-S761 WeakPolarHBondContact O-CA 3.11Å; N741-S761 VanDerWaalsContact C-CB 3.46Å; N741-S761 WeakPolarHBondContact O-CB 3.37Å; Y742-S761 WeakPolarHBondContact O-CA 3.31Å; Y742-S761 VanDerWaalsContact O-CB 3.31Å; Y742-S761 WeakPolarHBondContact O-CB 3.48Å; S743-S761 PolarHBondContact OG-N 3.26Å; S761-Q763 PolarHBondContact O-N 2.9Å; S761-E764 PolarHBondContact O-N 3.44Å; S761-E764 VanDerWaalsContact O-N 3.16Å; S761-E764 WeakPolarHBondContact OG-CB 3.28Å; S761-E764 PolarHBondContact OG-N 2.84Å; S761-K765 WeakPolarHBondContact O-CB 3.38Å; S761-K765 WeakPolarHBondContact O-CG 3.35Å; S761-K765 PolarHBondContact O-N 2.84Å | ||
| 762 | L | 85.2 | Confident | 88.2 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.9 | -41.1 | 174.1 | -179.6 | 68 | 0 | 0 | 0 | 111.7 | L699 F735 C740 K765 A766 A790 | L699-L762 HydrophobicContact CD1-CD2 4.33Å; L699-L762 HydrophobicContact CD2-CD2 3.65Å; F735-L762 HydrophobicContact CE1-CD2 4.31Å; F735-L762 HydrophobicContact CZ-CD2 3.88Å; C740-L762 HydrophobicContact CB-CB 4.39Å; C740-L762 PolarHBondContact O-N 2.79Å; L762-K765 PolarHBondContact O-N 3.04Å; L762-A766 WeakPolarHBondContact O-CB 3.44Å; L762-A766 PolarHBondContact O-N 3.05Å; L762-A790 HydrophobicContact CD2-CB 4.4Å; L762-A790 HydrophobicContact CG-CB 4.05Å |
| 763 | Q | 84.5 | Confident | 87.7 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -44.2 | 178.6 | -62.7 | 174.8 | 15.6 | 0 | 0 | 112.1 | V725 L731 N741 S761 K765 A766 F767 A790 L792 | V725-Q763 VanDerWaalsContact CB-OE1 3.31Å; V725-Q763 HydrophobicContact CG2-CB 3.95Å; L731-Q763 VanDerWaalsContact CD2-NE2 3.25Å; N741-Q763 PolarHBondContact ND2-NE2 2.78Å; N741-Q763 PolarHBondContact OD1-NE2 3.4Å; S761-Q763 PolarHBondContact O-N 2.9Å; Q763-K765 VanDerWaalsContact C-N 3.33Å; Q763-K765 PolarHBondContact O-N 2.92Å; Q763-A766 PolarHBondContact O-N 2.98Å; Q763-F767 WeakPolarHBondContact O-CD2 3.38Å; Q763-F767 PolarHBondContact O-N 2.99Å; Q763-A790 HydrophobicContact CG-CB 4.44Å; Q763-L792 HydrophobicContact CB-CD1 4.02Å; Q763-L792 HydrophobicContact CB-CD2 4.11Å; Q763-L792 HydrophobicContact CB-CG 4.25Å; Q763-L792 HydrophobicContact CG-CD1 4.27Å; Q763-L792 HydrophobicContact CG-CD2 3.97Å; Q763-L792 HydrophobicContact CG-CG 4.01Å |
| 764 | E | 86.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 27.1 Ų | 27.1 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.2 | -172.4 | 56.4 | -139.1 | 0 | 0 | 111.5 | Q760 S761 F767 A768 R820 | Q760-E764 HydrophobicContact CB-CB 4.23Å; Q760-E764 HydrophobicContact CB-CG 4.21Å; Q760-E764 HydrophobicContact CG-CG 4.17Å; S761-E764 PolarHBondContact O-N 3.44Å; S761-E764 VanDerWaalsContact O-N 3.16Å; S761-E764 WeakPolarHBondContact OG-CB 3.28Å; S761-E764 PolarHBondContact OG-N 2.84Å; E764-F767 PolarHBondContact O-N 2.98Å; E764-A768 VanDerWaalsContact O-CB 3.28Å; E764-A768 WeakPolarHBondContact O-CB 3.47Å; E764-A768 PolarHBondContact O-N 3.27Å; E764-R820 IonicContact OE1-CZ 2.71Å; E764-R820 VanDerWaalsContact OE1-CZ 3.27Å; E764-R820 IonicContact OE1-NH1 3.8Å; E764-R820 PolarHBondContact OE1-NH1 2.85Å; E764-R820 IonicContact OE1-NH2 2.91Å; E764-R820 PolarHBondContact OE1-NH2 3.17Å; E764-R820 IonicContact OE2-CZ 2.8Å; E764-R820 IonicContact OE2-NH1 3.35Å; E764-R820 PolarHBondContact OE2-NH1 2.94Å |
| 765 | K | 86.7 | Confident | 84.9 | Confident | 51 Ų | 51 | 30.8 Ų | 30.8 | 22% | 0.222 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.2 | -77.7 | 167.3 | 171.3 | 141.5 | 0 | 112.2 | Q760 S761 L762 Q763 A768 K769 | Q760-K765 HydrophobicContact CB-CD 4.38Å; Q760-K765 HydrophobicContact CB-CG 3.88Å; Q760-K765 VanDerWaalsContact O-CD 3.31Å; Q760-K765 WeakPolarHBondContact O-CD 3.42Å; Q760-K765 WeakPolarHBondContact O-CE 3.26Å; Q760-K765 PolarHBondContact O-NZ 3.45Å; S761-K765 WeakPolarHBondContact O-CB 3.38Å; S761-K765 WeakPolarHBondContact O-CG 3.35Å; S761-K765 PolarHBondContact O-N 2.84Å; L762-K765 PolarHBondContact O-N 3.04Å; Q763-K765 VanDerWaalsContact C-N 3.33Å; Q763-K765 PolarHBondContact O-N 2.92Å; K765-A768 PolarHBondContact O-N 2.84Å; K765-K769 VanDerWaalsContact O-CG 3.27Å; K765-K769 WeakPolarHBondContact O-CG 3.36Å; K765-K769 PolarHBondContact O-N 2.99Å |
| 766 | A | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L762 Q763 K769 V770 E786 L787 A790 L792 | L762-A766 WeakPolarHBondContact O-CB 3.44Å; L762-A766 PolarHBondContact O-N 3.05Å; Q763-A766 PolarHBondContact O-N 2.98Å; A766-K769 PolarHBondContact O-N 3.44Å; A766-V770 WeakPolarHBondContact O-CG2 3.29Å; A766-V770 PolarHBondContact O-N 2.85Å; A766-V770 VanDerWaalsContact O-N 3.12Å; A766-E786 HydrophobicContact CB-CG 4.07Å; A766-L787 HydrophobicContact CB-CD2 4.49Å; A766-A790 HydrophobicContact CB-CB 3.56Å; A766-L792 HydrophobicContact CB-CD1 4.23Å |
| 767 | F | 88.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.7 | -74.1 | -51.5 | 0 | 0 | 0 | 112.7 | V725 Q763 E764 K769 V770 E771 L787 L792 M815 A818 R820 | V725-F767 HydrophobicContact CG1-CE2 4.24Å; V725-F767 HydrophobicContact CG2-CD2 4.25Å; V725-F767 HydrophobicContact CG2-CE2 3.87Å; Q763-F767 WeakPolarHBondContact O-CD2 3.38Å; Q763-F767 PolarHBondContact O-N 2.99Å; E764-F767 PolarHBondContact O-N 2.98Å; F767-K769 VanDerWaalsContact C-N 3.35Å; F767-K769 PolarHBondContact O-N 2.87Å; F767-V770 PolarHBondContact O-N 3.46Å; F767-E771 WeakPolarHBondContact O-CB 3.29Å; F767-E771 WeakPolarHBondContact O-CG 3.34Å; F767-E771 PolarHBondContact O-N 3.17Å; F767-L787 HydrophobicContact CD1-CD2 4.1Å; F767-L787 HydrophobicContact CE1-CD2 4.02Å; F767-L792 HydrophobicContact CD1-CD1 4.36Å; F767-L792 HydrophobicContact CD2-CD1 4.11Å; F767-L792 HydrophobicContact CE1-CD1 3.95Å; F767-L792 HydrophobicContact CE2-CD1 3.66Å; F767-L792 HydrophobicContact CE2-CD2 3.74Å; F767-L792 HydrophobicContact CE2-CG 4.37Å; F767-L792 HydrophobicContact CG-CD1 4.43Å; F767-L792 HydrophobicContact CZ-CD1 3.56Å; F767-L792 HydrophobicContact CZ-CD2 3.62Å; F767-L792 HydrophobicContact CZ-CG 4.16Å; F767-M815 HydrophobicContact CD1-CE 3.99Å; F767-M815 HydrophobicContact CD1-SD 3.54Å; F767-M815 VanDerWaalsContact CD1-SD 3.54Å; F767-M815 HydrophobicContact CE1-SD 3.8Å; F767-A818 HydrophobicContact CD1-CB 4.47Å; F767-A818 HydrophobicContact CE1-CB 3.59Å; F767-A818 HydrophobicContact CE2-CB 3.72Å; F767-A818 HydrophobicContact CZ-CB 3.14Å; F767-R820 HydrophobicContact CB-CG 4.46Å; F767-R820 HydrophobicContact CD1-CG 3.82Å; F767-R820 HydrophobicContact CE1-CG 4.23Å; F767-R820 HydrophobicContact CG-CG 4.15Å |
| 768 | A | 87.5 | Confident | 79.6 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E764 K765 E771 A772 | E764-A768 VanDerWaalsContact O-CB 3.28Å; E764-A768 WeakPolarHBondContact O-CB 3.47Å; E764-A768 PolarHBondContact O-N 3.27Å; K765-A768 PolarHBondContact O-N 2.84Å; A768-E771 PolarHBondContact O-N 3.41Å; A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 2.84Å |
| 769 | K | 86.4 | Confident | 78.6 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.9 | -74.4 | 169.5 | 176.7 | -178.5 | 0 | 112.1 | K765 A766 F767 E771 A772 D773 E786 | K765-K769 VanDerWaalsContact O-CG 3.27Å; K765-K769 WeakPolarHBondContact O-CG 3.36Å; K765-K769 PolarHBondContact O-N 2.99Å; A766-K769 PolarHBondContact O-N 3.44Å; F767-K769 VanDerWaalsContact C-N 3.35Å; F767-K769 PolarHBondContact O-N 2.87Å; K769-E771 VanDerWaalsContact C-N 3.33Å; K769-A772 PolarHBondContact O-N 3.02Å; K769-D773 PolarHBondContact O-N 3.33Å; K769-E786 HydrophobicContact CD-CG 4.01Å; K769-E786 VanDerWaalsContact CD-OE1 3.29Å; K769-E786 WeakPolarHBondContact CD-OE1 3.16Å; K769-E786 WeakPolarHBondContact CD-OE2 3.28Å; K769-E786 WeakPolarHBondContact CE-OE1 3.18Å; K769-E786 IonicContact NZ-OE1 3.85Å; K769-E786 PolarHBondContact NZ-OE1 2.81Å; K769-E786 IonicContact NZ-OE2 2.79Å; K769-E786 PolarHBondContact NZ-OE2 2.94Å |
| 770 | V | 87.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.5 | -29 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | A766 F767 E786 L787 M815 Y823 | A766-V770 WeakPolarHBondContact O-CG2 3.29Å; A766-V770 PolarHBondContact O-N 2.85Å; A766-V770 VanDerWaalsContact O-N 3.12Å; F767-V770 PolarHBondContact O-N 3.46Å; V770-E786 HydrophobicContact CG2-CG 4.42Å; V770-L787 HydrophobicContact CG2-CG 4.44Å; V770-M815 HydrophobicContact CB-CE 4.12Å; V770-M815 HydrophobicContact CB-SD 4.46Å; V770-M815 HydrophobicContact CG1-CE 3.8Å; V770-M815 HydrophobicContact CG1-SD 3.96Å; V770-Y823 HydrophobicContact CG1-CD2 3.87Å; V770-Y823 HydrophobicContact CG1-CE2 3.71Å; V770-Y823 WeakPolarHBondContact O-CD2 3.39Å |
| 771 | E | 87.4 | Confident | 78 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.6 | -36.5 | 171.4 | -81.6 | -179.2 | 153.2 | 0 | 0 | 113.9 | F767 A768 K769 M815 R820 N826 | F767-E771 WeakPolarHBondContact O-CB 3.29Å; F767-E771 WeakPolarHBondContact O-CG 3.34Å; F767-E771 PolarHBondContact O-N 3.17Å; A768-E771 PolarHBondContact O-N 3.41Å; K769-E771 VanDerWaalsContact C-N 3.33Å; E771-M815 HydrophobicContact CG-CE 3.94Å; E771-R820 VanDerWaalsContact CD-NE 3.31Å; E771-R820 VanDerWaalsContact OE1-CB 3.28Å; E771-R820 WeakPolarHBondContact OE1-CB 3.22Å; E771-R820 IonicContact OE1-CZ 4Å; E771-R820 IonicContact OE1-NE 3.91Å; E771-R820 PolarHBondContact OE1-NE 3.4Å; E771-R820 IonicContact OE1-NH2 2.72Å; E771-R820 IonicContact OE2-CZ 2.64Å; E771-R820 IonicContact OE2-NE 2.87Å; E771-R820 PolarHBondContact OE2-NE 2.84Å; E771-R820 IonicContact OE2-NH2 3.8Å; E771-R820 PolarHBondContact OE2-NH2 3Å; E771-N826 PolarHBondContact O-ND2 2.97Å |
| 772 | A | 82.9 | Confident | 77.9 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -75.1 | -27.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A768 K769 P774 | A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 2.84Å; K769-A772 PolarHBondContact O-N 3.02Å; A772-P774 WeakPolarHBondContact O-CD 3.37Å |
| 773 | D | 74.6 | Confident | 78 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -121 | 81.6 | 177 | -172.4 | -3.6 | 0 | 0 | 0 | 111.1 | K769 T775 I776 | K769-D773 PolarHBondContact O-N 3.33Å; D773-T775 PolarHBondContact O-N 2.97Å; D773-T775 VanDerWaalsContact O-N 3.1Å; D773-T775 WeakPolarHBondContact OD1-CB 3.3Å; D773-T775 PolarHBondContact OD1-N 2.66Å; D773-T775 VanDerWaalsContact OD1-N 3.08Å; D773-T775 PolarHBondContact OD1-OG1 3.04Å; D773-I776 HydrophobicContact CB-CD1 3.79Å; D773-I776 HydrophobicContact CB-CG1 3.98Å; D773-I776 VanDerWaalsContact O-CG1 3.32Å; D773-I776 WeakPolarHBondContact O-CG1 3.2Å; D773-I776 PolarHBondContact O-N 2.96Å | ||
| 774 | P | 61.3 | Low | 78.1 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -64.2 | -12.3 | 176.4 | 28.1 | -36.8 | 0 | 0 | 0 | 113.1 | A772 I776 C777 N826 L830 | A772-P774 WeakPolarHBondContact O-CD 3.37Å; P774-I776 PolarHBondContact O-N 3.2Å; P774-C777 WeakPolarHBondContact O-CB 3.07Å; P774-C777 PolarHBondContact O-N 3.28Å; P774-C777 PolarHBondContact O-SG 3.05Å; P774-N826 HydrophobicContact CB-CB 4Å; P774-N826 HydrophobicContact CG-CB 4.07Å; P774-L830 HydrophobicContact CB-CD1 4.47Å; P774-L830 HydrophobicContact CB-CD2 4.2Å; P774-L830 HydrophobicContact CB-CG 4.4Å; P774-L830 HydrophobicContact CG-CD2 4.03Å |
| 775 | T | 63.4 | Low | 78.1 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -71.8 | -16.1 | 178.3 | 77 | 0 | 0 | 0 | 0 | 112.6 | D773 C777 T778 L830 | D773-T775 PolarHBondContact O-N 2.97Å; D773-T775 VanDerWaalsContact O-N 3.1Å; D773-T775 WeakPolarHBondContact OD1-CB 3.3Å; D773-T775 PolarHBondContact OD1-N 2.66Å; D773-T775 VanDerWaalsContact OD1-N 3.08Å; D773-T775 PolarHBondContact OD1-OG1 3.04Å; T775-C777 PolarHBondContact O-N 2.94Å; T775-T778 PolarHBondContact O-N 2.87Å; T775-T778 PolarHBondContact O-OG1 3.06Å; T775-L830 HydrophobicContact CG2-CD2 4.24Å |
| 776 | I | 55.6 | Low | 78.1 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -61.1 | -10.1 | 170.9 | -50.1 | 169.7 | 0 | 0 | 0 | 111.6 | D773 P774 T778 D779 A780 R782 S783 | D773-I776 HydrophobicContact CB-CD1 3.79Å; D773-I776 HydrophobicContact CB-CG1 3.98Å; D773-I776 VanDerWaalsContact O-CG1 3.32Å; D773-I776 WeakPolarHBondContact O-CG1 3.2Å; D773-I776 PolarHBondContact O-N 2.96Å; P774-I776 PolarHBondContact O-N 3.2Å; I776-T778 PolarHBondContact O-N 3.19Å; I776-T778 VanDerWaalsContact O-N 3.15Å; I776-D779 WeakPolarHBondContact CG2-O 3.36Å; I776-D779 CarbonylContact O-C 3.56Å; I776-D779 WeakPolarHBondContact O-CA 3.36Å; I776-D779 PolarHBondContact O-N 3.27Å; I776-A780 PolarHBondContact O-N 3.47Å; I776-R782 HydrophobicContact CG2-CB 4.02Å; I776-S783 WeakPolarHBondContact CG2-OG 3.27Å |
| 777 | C | 52.6 | Low | 78 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.9 | -10.7 | 169 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | P774 T775 Y823 F827 | P774-C777 WeakPolarHBondContact O-CB 3.07Å; P774-C777 PolarHBondContact O-N 3.28Å; P774-C777 PolarHBondContact O-SG 3.05Å; T775-C777 PolarHBondContact O-N 2.94Å; C777-Y823 PolarHBondContact SG-OH 3.36Å; C777-F827 HydrophobicContact CB-CD2 3.75Å; C777-F827 HydrophobicContact CB-CE2 3.65Å; C777-F827 WeakPolarHBondContact SG-CD2 3.31Å |
| 778 | T | 58 | Low | 77.8 | Confident | 141 Ų | 141 | 48.5 Ų | 48.5 | 87% | 0.865 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -98.2 | 2.2 | 165.7 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | T775 I776 | T775-T778 PolarHBondContact O-N 2.87Å; T775-T778 PolarHBondContact O-OG1 3.06Å; I776-T778 PolarHBondContact O-N 3.19Å; I776-T778 VanDerWaalsContact O-N 3.15Å |
| 779 | D | 70.2 | Confident | 77.4 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | trans | -140.1 | 63.2 | 175.8 | -179.6 | 11.8 | 0 | 0 | 0 | 109.2 | I776 H781 R782 | I776-D779 WeakPolarHBondContact CG2-O 3.36Å; I776-D779 CarbonylContact O-C 3.56Å; I776-D779 WeakPolarHBondContact O-CA 3.36Å; I776-D779 PolarHBondContact O-N 3.27Å; D779-H781 PolarHBondContact O-N 3.22Å; D779-H781 VanDerWaalsContact O-N 3.13Å; D779-R782 PolarHBondContact O-N 2.87Å; D779-R782 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 780 | A | 79.2 | Confident | 77.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -24.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I776 R782 S783 L784 K807 I808 | I776-A780 PolarHBondContact O-N 3.47Å; A780-R782 VanDerWaalsContact C-N 3.31Å; A780-R782 PolarHBondContact O-N 2.81Å; A780-S783 PolarHBondContact O-N 2.99Å; A780-L784 WeakPolarHBondContact O-CB 3.34Å; A780-L784 PolarHBondContact O-N 3.07Å; A780-K807 HydrophobicContact CB-CB 3.8Å; A780-I808 HydrophobicContact CB-CD1 4.49Å; A780-I808 HydrophobicContact CB-CG1 3.54Å |
| 781 | H | 85 | Confident | 76.8 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 32% | 0.324 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53 | -44.8 | 170.2 | 178.6 | 76.4 | 0 | 0 | 0 | 112.2 | D779 L784 E785 K807 | D779-H781 PolarHBondContact O-N 3.22Å; D779-H781 VanDerWaalsContact O-N 3.13Å; H781-L784 PolarHBondContact O-N 2.96Å; H781-E785 WeakPolarHBondContact O-CB 3.44Å; H781-E785 PolarHBondContact O-N 3.15Å; H781-K807 HydrophobicContact CB-CD 4.36Å |
| 782 | R | 84.9 | Confident | 76.7 | Confident | 130 Ų | 130 | 43.3 Ų | 43.3 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.5 | -33.7 | -178.2 | -169.5 | 175 | -179.1 | -131.3 | -8.6 | 113.9 | I776 D779 A780 L784 E786 | I776-R782 HydrophobicContact CG2-CB 4.02Å; D779-R782 PolarHBondContact O-N 2.87Å; D779-R782 WeakPolarHBondContact OD2-CB 3.39Å; A780-R782 VanDerWaalsContact C-N 3.31Å; A780-R782 PolarHBondContact O-N 2.81Å; R782-L784 VanDerWaalsContact C-N 3.35Å; R782-E786 PolarHBondContact O-N 3.22Å; R782-E786 VanDerWaalsContact O-N 3.16Å |
| 783 | S | 86.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 169.2 | -77.4 | 0 | 0 | 0 | 0 | 111.6 | I776 A780 L787 | I776-S783 WeakPolarHBondContact CG2-OG 3.27Å; A780-S783 PolarHBondContact O-N 2.99Å; S783-L787 WeakPolarHBondContact O-CB 3.45Å; S783-L787 VanDerWaalsContact O-CG 3.28Å; S783-L787 WeakPolarHBondContact O-CG 3.15Å; S783-L787 PolarHBondContact O-N 2.89Å; S783-L787 VanDerWaalsContact O-N 3.15Å |
| 784 | L | 87.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.2 | 177.1 | 60.4 | 0 | 0 | 0 | 111.5 | A780 H781 R782 L787 Q788 I793 L799 L800 K807 V811 | A780-L784 WeakPolarHBondContact O-CB 3.34Å; A780-L784 PolarHBondContact O-N 3.07Å; H781-L784 PolarHBondContact O-N 2.96Å; R782-L784 VanDerWaalsContact C-N 3.35Å; L784-L787 PolarHBondContact O-N 3.05Å; L784-Q788 HydrophobicContact CD1-CG 3.99Å; L784-Q788 HydrophobicContact CG-CG 4.38Å; L784-Q788 WeakPolarHBondContact O-CB 3.27Å; L784-Q788 VanDerWaalsContact O-CG 3.31Å; L784-Q788 WeakPolarHBondContact O-CG 3.36Å; L784-Q788 PolarHBondContact O-N 2.94Å; L784-I793 HydrophobicContact CD1-CB 4.27Å; L784-I793 HydrophobicContact CD1-CD1 3.64Å; L784-I793 HydrophobicContact CD1-CG2 3.79Å; L784-L799 HydrophobicContact CD2-CB 4.33Å; L784-L800 HydrophobicContact CD2-CD2 4.17Å; L784-L800 HydrophobicContact CG-CD2 4.21Å; L784-K807 HydrophobicContact CD2-CB 4.26Å; L784-K807 HydrophobicContact CD2-CD 4.45Å; L784-K807 HydrophobicContact CD2-CG 3.8Å; L784-V811 HydrophobicContact CB-CG2 4.36Å |
| 785 | E | 85.9 | Confident | 77.3 | Confident | 106 Ų | 106 | 45.2 Ų | 45.2 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.7 | -176 | -177.9 | -149.3 | 0 | 0 | 112 | H781 L787 Q788 S789 L800 | H781-E785 WeakPolarHBondContact O-CB 3.44Å; H781-E785 PolarHBondContact O-N 3.15Å; E785-L787 PolarHBondContact O-N 2.92Å; E785-Q788 PolarHBondContact O-N 2.97Å; E785-S789 WeakPolarHBondContact O-CB 3.24Å; E785-S789 PolarHBondContact O-N 2.94Å; E785-L800 HydrophobicContact CB-CD2 4.42Å |
| 786 | E | 86.9 | Confident | 77.9 | Confident | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.2 | -177.2 | 70 | -130.1 | 0 | 0 | 111.3 | A766 K769 V770 R782 S789 A790 | A766-E786 HydrophobicContact CB-CG 4.07Å; K769-E786 HydrophobicContact CD-CG 4.01Å; K769-E786 VanDerWaalsContact CD-OE1 3.29Å; K769-E786 WeakPolarHBondContact CD-OE1 3.16Å; K769-E786 WeakPolarHBondContact CD-OE2 3.28Å; K769-E786 WeakPolarHBondContact CE-OE1 3.18Å; K769-E786 IonicContact NZ-OE1 3.85Å; K769-E786 PolarHBondContact NZ-OE1 2.81Å; K769-E786 IonicContact NZ-OE2 2.79Å; K769-E786 PolarHBondContact NZ-OE2 2.94Å; V770-E786 HydrophobicContact CG2-CG 4.42Å; R782-E786 PolarHBondContact O-N 3.22Å; R782-E786 VanDerWaalsContact O-N 3.16Å; E786-S789 PolarHBondContact O-N 2.85Å; E786-S789 PolarHBondContact O-OG 3.07Å; E786-A790 PolarHBondContact O-N 2.98Å |
| 787 | L | 86.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | 177.2 | -67.7 | 172.4 | 0 | 0 | 0 | 113 | A766 F767 V770 S783 L784 E785 A790 G791 L792 I793 V811 C814 M815 | A766-L787 HydrophobicContact CB-CD2 4.49Å; F767-L787 HydrophobicContact CD1-CD2 4.1Å; F767-L787 HydrophobicContact CE1-CD2 4.02Å; V770-L787 HydrophobicContact CG2-CG 4.44Å; S783-L787 WeakPolarHBondContact O-CB 3.45Å; S783-L787 VanDerWaalsContact O-CG 3.28Å; S783-L787 WeakPolarHBondContact O-CG 3.15Å; S783-L787 PolarHBondContact O-N 2.89Å; S783-L787 VanDerWaalsContact O-N 3.15Å; L784-L787 PolarHBondContact O-N 3.05Å; E785-L787 PolarHBondContact O-N 2.92Å; L787-A790 CarbonylContact O-C 3.4Å; L787-A790 PolarHBondContact O-N 2.91Å; L787-G791 PolarHBondContact O-N 3.43Å; L787-L792 HydrophobicContact CB-CB 4.32Å; L787-L792 HydrophobicContact CD2-CB 4.22Å; L787-L792 HydrophobicContact CD2-CD1 3.64Å; L787-L792 WeakPolarHBondContact O-CB 3.36Å; L787-L792 PolarHBondContact O-N 3.44Å; L787-I793 HydrophobicContact CB-CD1 3.88Å; L787-I793 HydrophobicContact CB-CG1 4.11Å; L787-I793 HydrophobicContact CD1-CD1 3.86Å; L787-V811 HydrophobicContact CD1-CG1 4.21Å; L787-V811 HydrophobicContact CD1-CG2 4.29Å; L787-C814 HydrophobicContact CD1-CB 4.25Å; L787-M815 HydrophobicContact CD1-SD 4.43Å |
| 788 | Q | 84.3 | Confident | 79.8 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 171.8 | -76.2 | -176.6 | -56.1 | 0 | 0 | 111.6 | L784 E785 A790 G791 I793 E794 R795 N796 | L784-Q788 HydrophobicContact CD1-CG 3.99Å; L784-Q788 HydrophobicContact CG-CG 4.38Å; L784-Q788 WeakPolarHBondContact O-CB 3.27Å; L784-Q788 VanDerWaalsContact O-CG 3.31Å; L784-Q788 WeakPolarHBondContact O-CG 3.36Å; L784-Q788 PolarHBondContact O-N 2.94Å; E785-Q788 PolarHBondContact O-N 2.97Å; Q788-A790 VanDerWaalsContact C-N 3.26Å; Q788-A790 PolarHBondContact O-N 3.46Å; Q788-G791 PolarHBondContact O-N 3.02Å; Q788-I793 HydrophobicContact CG-CB 4.04Å; Q788-I793 HydrophobicContact CG-CG2 4.17Å; Q788-E794 PolarHBondContact NE2-O 2.92Å; Q788-R795 VanDerWaalsContact O-CG 3.27Å; Q788-R795 WeakPolarHBondContact O-CG 3.44Å; Q788-R795 PolarHBondContact O-NE 3.02Å; Q788-N796 PolarHBondContact NE2-O 2.92Å |
| 789 | S | 79.1 | Confident | 80.5 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.9 | 84.2 | 0 | 0 | 0 | 0 | 111.2 | E785 E786 G791 R795 | E785-S789 WeakPolarHBondContact O-CB 3.24Å; E785-S789 PolarHBondContact O-N 2.94Å; E786-S789 PolarHBondContact O-N 2.85Å; E786-S789 PolarHBondContact O-OG 3.07Å; S789-G791 VanDerWaalsContact C-N 3.27Å; S789-G791 PolarHBondContact O-N 3.31Å; S789-R795 PolarHBondContact O-NH2 2.85Å |
| 790 | A | 81.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 3.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F735 L762 Q763 A766 E786 L787 Q788 L792 | F735-A790 VanDerWaalsContact CE1-O 3.28Å; F735-A790 WeakPolarHBondContact CE1-O 3.44Å; L762-A790 HydrophobicContact CD2-CB 4.4Å; L762-A790 HydrophobicContact CG-CB 4.05Å; Q763-A790 HydrophobicContact CG-CB 4.44Å; A766-A790 HydrophobicContact CB-CB 3.56Å; E786-A790 PolarHBondContact O-N 2.98Å; L787-A790 CarbonylContact O-C 3.4Å; L787-A790 PolarHBondContact O-N 2.91Å; Q788-A790 VanDerWaalsContact C-N 3.26Å; Q788-A790 PolarHBondContact O-N 3.46Å; A790-L792 HydrophobicContact CB-CD1 3.93Å; A790-L792 HydrophobicContact CB-CG 4.2Å; A790-L792 PolarHBondContact O-N 2.98Å |
| 791 | G | 80 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 11.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L731 L787 Q788 S789 I793 | L731-G791 WeakPolarHBondContact CD2-O 3.39Å; L787-G791 PolarHBondContact O-N 3.43Å; Q788-G791 PolarHBondContact O-N 3.02Å; S789-G791 VanDerWaalsContact C-N 3.27Å; S789-G791 PolarHBondContact O-N 3.31Å; G791-I793 VanDerWaalsContact C-N 3.29Å |
| 792 | L | 84 | Confident | 80.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -78.2 | -13.6 | 179.2 | -69.3 | 165.8 | 0 | 0 | 0 | 113.3 | V725 L730 L731 Q763 A766 F767 L787 A790 | V725-L792 HydrophobicContact CG1-CD2 4.34Å; L730-L792 CarbonylContact O-C 3.58Å; L730-L792 VanDerWaalsContact O-O 3.14Å; L731-L792 HydrophobicContact CD2-CD2 3.73Å; L731-L792 HydrophobicContact CD2-CG 4.31Å; Q763-L792 HydrophobicContact CB-CD1 4.02Å; Q763-L792 HydrophobicContact CB-CD2 4.11Å; Q763-L792 HydrophobicContact CB-CG 4.25Å; Q763-L792 HydrophobicContact CG-CD1 4.27Å; Q763-L792 HydrophobicContact CG-CD2 3.97Å; Q763-L792 HydrophobicContact CG-CG 4.01Å; A766-L792 HydrophobicContact CB-CD1 4.23Å; F767-L792 HydrophobicContact CD1-CD1 4.36Å; F767-L792 HydrophobicContact CD2-CD1 4.11Å; F767-L792 HydrophobicContact CE1-CD1 3.95Å; F767-L792 HydrophobicContact CE2-CD1 3.66Å; F767-L792 HydrophobicContact CE2-CD2 3.74Å; F767-L792 HydrophobicContact CE2-CG 4.37Å; F767-L792 HydrophobicContact CG-CD1 4.43Å; F767-L792 HydrophobicContact CZ-CD1 3.56Å; F767-L792 HydrophobicContact CZ-CD2 3.62Å; F767-L792 HydrophobicContact CZ-CG 4.16Å; L787-L792 HydrophobicContact CB-CB 4.32Å; L787-L792 HydrophobicContact CD2-CB 4.22Å; L787-L792 HydrophobicContact CD2-CD1 3.64Å; L787-L792 WeakPolarHBondContact O-CB 3.36Å; L787-L792 PolarHBondContact O-N 3.44Å; A790-L792 HydrophobicContact CB-CD1 3.93Å; A790-L792 HydrophobicContact CB-CG 4.2Å; A790-L792 PolarHBondContact O-N 2.98Å |
| 793 | I | 82.7 | Confident | 80.3 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -135.4 | 141.5 | 168.7 | -60.5 | 176.1 | 0 | 0 | 0 | 106.9 | L784 L787 Q788 G791 R795 L799 R810 C814 | L784-I793 HydrophobicContact CD1-CB 4.27Å; L784-I793 HydrophobicContact CD1-CD1 3.64Å; L784-I793 HydrophobicContact CD1-CG2 3.79Å; L787-I793 HydrophobicContact CB-CD1 3.88Å; L787-I793 HydrophobicContact CB-CG1 4.11Å; L787-I793 HydrophobicContact CD1-CD1 3.86Å; Q788-I793 HydrophobicContact CG-CB 4.04Å; Q788-I793 HydrophobicContact CG-CG2 4.17Å; G791-I793 VanDerWaalsContact C-N 3.29Å; I793-R795 PolarHBondContact O-N 3.11Å; I793-L799 HydrophobicContact CG2-CD1 4.35Å; I793-R810 HydrophobicContact CD1-CB 4.39Å; I793-C814 HydrophobicContact CD1-CB 4.06Å; I793-C814 HydrophobicContact CG1-CB 4.09Å |
| 794 | E | 76.5 | Confident | 80.1 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | trans | -38.8 | 123 | 174.8 | -176.2 | -163.2 | 160.3 | 0 | 0 | 112.2 | Q788 N796 L799 | Q788-E794 PolarHBondContact NE2-O 2.92Å; E794-N796 HydrophobicContact CG-CB 3.86Å; E794-N796 PolarHBondContact O-N 2.82Å; E794-N796 WeakPolarHBondContact OE1-CB 3.42Å; E794-N796 PolarHBondContact OE1-ND2 3.46Å; E794-L799 HydrophobicContact CB-CD1 4.21Å | ||
| 795 | R | 72.8 | Confident | 80.1 | Confident | 82 Ų | 82 | 56 Ų | 56 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | trans | -75.7 | 37 | -176.6 | -71.2 | -178.9 | 175.1 | 136.3 | -11.1 | 114.5 | E732 F735 Q788 S789 I793 P797 | E732-R795 IonicContact OE2-CZ 2.97Å; E732-R795 IonicContact OE2-NH1 2.82Å; E732-R795 PolarHBondContact OE2-NH1 3.35Å; F735-R795 VanDerWaalsContact CD2-NH1 3.26Å; F735-R795 VanDerWaalsContact CE2-NH2 3.26Å; Q788-R795 VanDerWaalsContact O-CG 3.27Å; Q788-R795 WeakPolarHBondContact O-CG 3.44Å; Q788-R795 PolarHBondContact O-NE 3.02Å; S789-R795 PolarHBondContact O-NH2 2.85Å; I793-R795 PolarHBondContact O-N 3.11Å; R795-P797 WeakPolarHBondContact O-CD 3.47Å | ||
| 796 | N | 74.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -84.8 | 116.2 | -178.8 | -177.7 | -20.1 | 0 | 0 | 0 | 110.4 | Q788 E794 M798 L799 | Q788-N796 PolarHBondContact NE2-O 2.92Å; E794-N796 HydrophobicContact CG-CB 3.86Å; E794-N796 PolarHBondContact O-N 2.82Å; E794-N796 WeakPolarHBondContact OE1-CB 3.42Å; E794-N796 PolarHBondContact OE1-ND2 3.46Å; N796-M798 PolarHBondContact O-N 2.9Å; N796-M798 VanDerWaalsContact O-N 3.13Å; N796-M798 WeakPolarHBondContact OD1-CB 3.21Å; N796-M798 PolarHBondContact OD1-N 3.44Å; N796-M798 VanDerWaalsContact OD1-N 3.13Å; N796-L799 HydrophobicContact CB-CD1 4.11Å; N796-L799 HydrophobicContact CB-CG 4.05Å; N796-L799 WeakPolarHBondContact O-CB 3.34Å; N796-L799 WeakPolarHBondContact O-CG 3.42Å; N796-L799 PolarHBondContact O-N 2.76Å; N796-L799 VanDerWaalsContact O-N 3.07Å | ||
| 797 | P | 71.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.9 | -176.3 | -25.2 | 35.6 | 0 | 0 | 0 | 113.9 | R795 L799 L800 | R795-P797 WeakPolarHBondContact O-CD 3.47Å; P797-L799 PolarHBondContact O-N 3.25Å; P797-L800 PolarHBondContact O-N 3.3Å |
| 798 | M | 76.2 | Confident | 80.2 | Confident | 126 Ų | 126 | 53.5 Ų | 53.5 | 62% | 0.621 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -64.4 | -21.1 | 178.1 | -60.8 | -59.2 | -62.1 | 0 | 0 | 112.8 | N796 L800 L801 A802 | N796-M798 PolarHBondContact O-N 2.9Å; N796-M798 VanDerWaalsContact O-N 3.13Å; N796-M798 WeakPolarHBondContact OD1-CB 3.21Å; N796-M798 PolarHBondContact OD1-N 3.44Å; N796-M798 VanDerWaalsContact OD1-N 3.13Å; M798-L800 VanDerWaalsContact C-N 3.33Å; M798-L801 HydrophobicContact CE-CD1 4.2Å; M798-L801 WeakPolarHBondContact O-CB 3.46Å; M798-L801 PolarHBondContact O-N 2.92Å; M798-L801 HydrophobicContact SD-CD1 4.15Å; M798-A802 PolarHBondContact O-N 3.38Å |
| 799 | L | 74.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -71.6 | -27.8 | 178.3 | -58.2 | -177.8 | 0 | 0 | 0 | 112.7 | L784 I793 E794 N796 P797 L801 A802 R810 | L784-L799 HydrophobicContact CD2-CB 4.33Å; I793-L799 HydrophobicContact CG2-CD1 4.35Å; E794-L799 HydrophobicContact CB-CD1 4.21Å; N796-L799 HydrophobicContact CB-CD1 4.11Å; N796-L799 HydrophobicContact CB-CG 4.05Å; N796-L799 WeakPolarHBondContact O-CB 3.34Å; N796-L799 WeakPolarHBondContact O-CG 3.42Å; N796-L799 PolarHBondContact O-N 2.76Å; N796-L799 VanDerWaalsContact O-N 3.07Å; P797-L799 PolarHBondContact O-N 3.25Å; L799-L801 PolarHBondContact O-N 3.39Å; L799-A802 VanDerWaalsContact O-CB 3.27Å; L799-A802 WeakPolarHBondContact O-CB 3.49Å; L799-A802 PolarHBondContact O-N 2.91Å; L799-R810 VanDerWaalsContact CD1-NH1 3.33Å; L799-R810 VanDerWaalsContact CD2-CZ 3.42Å |
| 800 | L | 72.7 | Confident | 80.8 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69.2 | -22.5 | 173 | -63.5 | 173.8 | 0 | 0 | 0 | 111.8 | L784 E785 P797 M798 K807 | L784-L800 HydrophobicContact CD2-CD2 4.17Å; L784-L800 HydrophobicContact CG-CD2 4.21Å; E785-L800 HydrophobicContact CB-CD2 4.42Å; P797-L800 PolarHBondContact O-N 3.3Å; M798-L800 VanDerWaalsContact C-N 3.33Å; L800-K807 WeakPolarHBondContact O-CE 3.32Å; L800-K807 PolarHBondContact O-NZ 2.99Å |
| 801 | L | 76 | Confident | 81.2 | Confident | 135 Ų | 135 | 56.9 Ų | 56.9 | 71% | 0.707 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -90.6 | 1.8 | 175.2 | -57.3 | 176.6 | 0 | 0 | 0 | 113.7 | M798 L799 | M798-L801 HydrophobicContact CE-CD1 4.2Å; M798-L801 WeakPolarHBondContact O-CB 3.46Å; M798-L801 PolarHBondContact O-N 2.92Å; M798-L801 HydrophobicContact SD-CD1 4.15Å; L799-L801 PolarHBondContact O-N 3.39Å |
| 802 | A | 78.3 | Confident | 81.7 | Confident | 27 Ų | 27 | 57 Ų | 57 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -66.2 | 166.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M798 L799 D806 K807 | M798-A802 PolarHBondContact O-N 3.38Å; L799-A802 VanDerWaalsContact O-CB 3.27Å; L799-A802 WeakPolarHBondContact O-CB 3.49Å; L799-A802 PolarHBondContact O-N 2.91Å; A802-D806 HydrophobicContact CB-CB 4.12Å; A802-K807 HydrophobicContact CB-CG 4.37Å; A802-K807 WeakPolarHBondContact O-CE 3.48Å; A802-K807 PolarHBondContact O-NZ 3.5Å |
| 803 | N | 86.8 | Confident | 81.9 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | trans | -69.1 | 160.7 | 167.9 | 62.9 | 74 | 0 | 0 | 0 | 110.7 | D805 D806 K807 | N803-D805 PolarHBondContact O-N 2.97Å; N803-D805 PolarHBondContact OD1-N 3.16Å; N803-D806 PolarHBondContact ND2-OD2 2.94Å; N803-D806 PolarHBondContact O-N 2.88Å; N803-D806 PolarHBondContact OD1-N 3.05Å; N803-K807 WeakPolarHBondContact O-CG 3.49Å; N803-K807 PolarHBondContact O-N 3.42Å | ||
| 804 | E | 83.8 | Confident | 82.2 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | -175.6 | -60.8 | -50.2 | 123.3 | 0 | 0 | 113.3 | D806 K807 I808 | E804-D806 PolarHBondContact O-N 3.38Å; E804-K807 WeakPolarHBondContact O-CB 3.32Å; E804-K807 PolarHBondContact O-N 2.93Å; E804-K807 VanDerWaalsContact O-N 3.14Å; E804-K807 IonicContact OE1-NZ 2.73Å; E804-K807 PolarHBondContact OE1-NZ 2.92Å; E804-K807 WeakPolarHBondContact OE2-CD 3.48Å; E804-K807 IonicContact OE2-NZ 3.72Å; E804-I808 VanDerWaalsContact O-CG1 3.27Å; E804-I808 WeakPolarHBondContact O-CG1 3.47Å; E804-I808 PolarHBondContact O-N 2.81Å |
| 805 | D | 86.3 | Confident | 82.8 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 176.2 | -72.2 | -0.8 | 0 | 0 | 0 | 110.9 | N803 K807 I808 L809 L840 | N803-D805 PolarHBondContact O-N 2.97Å; N803-D805 PolarHBondContact OD1-N 3.16Å; D805-K807 VanDerWaalsContact C-N 3.3Å; D805-K807 PolarHBondContact O-N 3.31Å; D805-I808 PolarHBondContact O-N 2.9Å; D805-L809 WeakPolarHBondContact O-CB 3.38Å; D805-L809 WeakPolarHBondContact O-CG 3.32Å; D805-L809 PolarHBondContact O-N 2.89Å; D805-L840 HydrophobicContact CB-CD1 4.49Å; D805-L840 HydrophobicContact CB-CD2 3.94Å |
| 806 | D | 85.9 | Confident | 83.6 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -33.4 | 176.7 | -83.3 | -40.6 | 0 | 0 | 0 | 112.9 | A802 N803 E804 R810 | A802-D806 HydrophobicContact CB-CB 4.12Å; N803-D806 PolarHBondContact ND2-OD2 2.94Å; N803-D806 PolarHBondContact O-N 2.88Å; N803-D806 PolarHBondContact OD1-N 3.05Å; E804-D806 PolarHBondContact O-N 3.38Å; D806-R810 WeakPolarHBondContact O-CB 3.42Å; D806-R810 VanDerWaalsContact O-CG 3.26Å; D806-R810 WeakPolarHBondContact O-CG 3.38Å; D806-R810 PolarHBondContact O-N 3.32Å; D806-R810 VanDerWaalsContact O-N 3.16Å |
| 807 | K | 87.3 | Confident | 84 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -49 | 173.8 | -63.8 | 172.2 | -177.1 | 165.4 | 0 | 110.7 | A780 H781 L784 L800 A802 N803 E804 D805 L809 R810 V811 | A780-K807 HydrophobicContact CB-CB 3.8Å; H781-K807 HydrophobicContact CB-CD 4.36Å; L784-K807 HydrophobicContact CD2-CB 4.26Å; L784-K807 HydrophobicContact CD2-CD 4.45Å; L784-K807 HydrophobicContact CD2-CG 3.8Å; L800-K807 WeakPolarHBondContact O-CE 3.32Å; L800-K807 PolarHBondContact O-NZ 2.99Å; A802-K807 HydrophobicContact CB-CG 4.37Å; A802-K807 WeakPolarHBondContact O-CE 3.48Å; A802-K807 PolarHBondContact O-NZ 3.5Å; N803-K807 WeakPolarHBondContact O-CG 3.49Å; N803-K807 PolarHBondContact O-N 3.42Å; E804-K807 WeakPolarHBondContact O-CB 3.32Å; E804-K807 PolarHBondContact O-N 2.93Å; E804-K807 VanDerWaalsContact O-N 3.14Å; E804-K807 IonicContact OE1-NZ 2.73Å; E804-K807 PolarHBondContact OE1-NZ 2.92Å; E804-K807 WeakPolarHBondContact OE2-CD 3.48Å; E804-K807 IonicContact OE2-NZ 3.72Å; D805-K807 VanDerWaalsContact C-N 3.3Å; D805-K807 PolarHBondContact O-N 3.31Å; K807-L809 PolarHBondContact O-N 3.45Å; K807-R810 PolarHBondContact O-N 3.49Å; K807-V811 WeakPolarHBondContact O-CG2 3.48Å; K807-V811 PolarHBondContact O-N 3.06Å |
| 808 | I | 88.4 | Confident | 84.6 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 177.3 | -68.8 | 167.7 | 0 | 0 | 0 | 110.4 | A780 E804 D805 R810 V811 W812 V837 L840 | A780-I808 HydrophobicContact CB-CD1 4.49Å; A780-I808 HydrophobicContact CB-CG1 3.54Å; E804-I808 VanDerWaalsContact O-CG1 3.27Å; E804-I808 WeakPolarHBondContact O-CG1 3.47Å; E804-I808 PolarHBondContact O-N 2.81Å; D805-I808 PolarHBondContact O-N 2.9Å; I808-R810 VanDerWaalsContact C-N 3.3Å; I808-R810 PolarHBondContact O-N 3.15Å; I808-V811 PolarHBondContact O-N 3.02Å; I808-W812 HydrophobicContact CG2-CD2 3.62Å; I808-W812 HydrophobicContact CG2-CE3 3.84Å; I808-W812 HydrophobicContact CG2-CG 4.33Å; I808-W812 HydrophobicContact CG2-CH2 3.49Å; I808-W812 VanDerWaalsContact CG2-CH2 3.49Å; I808-W812 HydrophobicContact CG2-CZ2 3.29Å; I808-W812 HydrophobicContact CG2-CZ3 3.75Å; I808-W812 WeakPolarHBondContact O-CB 3.47Å; I808-W812 PolarHBondContact O-N 3.31Å; I808-V837 HydrophobicContact CD1-CG2 4.38Å; I808-L840 HydrophobicContact CB-CD2 4.44Å; I808-L840 HydrophobicContact CG2-CD2 4.16Å |
| 809 | L | 89.4 | Confident | 85.1 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -35.8 | 179.4 | -68.6 | 169.9 | 0 | 0 | 0 | 112.5 | D805 K807 W812 S813 L840 W844 | D805-L809 WeakPolarHBondContact O-CB 3.38Å; D805-L809 WeakPolarHBondContact O-CG 3.32Å; D805-L809 PolarHBondContact O-N 2.89Å; K807-L809 PolarHBondContact O-N 3.45Å; L809-W812 HydrophobicContact CD2-CE3 4.35Å; L809-W812 HydrophobicContact CD2-CZ3 4.48Å; L809-S813 VanDerWaalsContact O-CB 3.26Å; L809-S813 WeakPolarHBondContact O-CB 3.46Å; L809-S813 PolarHBondContact O-N 3.32Å; L809-S813 PolarHBondContact O-OG 2.91Å; L809-L840 HydrophobicContact CD1-CD1 4.34Å; L809-L840 HydrophobicContact CD2-CD1 4.18Å; L809-L840 HydrophobicContact CD2-CD2 4.49Å; L809-L840 HydrophobicContact CD2-CG 4.17Å; L809-L840 HydrophobicContact CG-CD1 4.44Å; L809-L840 HydrophobicContact CG-CD2 4.4Å; L809-W844 HydrophobicContact CD2-CB 3.64Å; L809-W844 VanDerWaalsContact CD2-CD1 3.44Å; L809-W844 HydrophobicContact CD2-CG 3.62Å |
| 810 | R | 87.7 | Confident | 85.8 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.7 | -46.3 | 174.5 | -76.5 | 172.3 | 178.9 | -96.8 | 0.7 | 112.1 | I793 L799 D806 K807 I808 S813 C814 | I793-R810 HydrophobicContact CD1-CB 4.39Å; L799-R810 VanDerWaalsContact CD1-NH1 3.33Å; L799-R810 VanDerWaalsContact CD2-CZ 3.42Å; D806-R810 WeakPolarHBondContact O-CB 3.42Å; D806-R810 VanDerWaalsContact O-CG 3.26Å; D806-R810 WeakPolarHBondContact O-CG 3.38Å; D806-R810 PolarHBondContact O-N 3.32Å; D806-R810 VanDerWaalsContact O-N 3.16Å; K807-R810 PolarHBondContact O-N 3.49Å; I808-R810 VanDerWaalsContact C-N 3.3Å; I808-R810 PolarHBondContact O-N 3.15Å; R810-S813 PolarHBondContact O-N 2.81Å; R810-C814 WeakPolarHBondContact O-CB 3.43Å; R810-C814 PolarHBondContact O-N 3.45Å |
| 811 | V | 89.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -52.4 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | L784 L787 K807 I808 S813 C814 M815 | L784-V811 HydrophobicContact CB-CG2 4.36Å; L787-V811 HydrophobicContact CD1-CG1 4.21Å; L787-V811 HydrophobicContact CD1-CG2 4.29Å; K807-V811 WeakPolarHBondContact O-CG2 3.48Å; K807-V811 PolarHBondContact O-N 3.06Å; I808-V811 PolarHBondContact O-N 3.02Å; V811-S813 VanDerWaalsContact C-N 3.34Å; V811-S813 PolarHBondContact O-N 3.42Å; V811-C814 WeakPolarHBondContact O-CB 3.45Å; V811-C814 PolarHBondContact O-N 3.27Å; V811-C814 VanDerWaalsContact O-N 3.11Å; V811-M815 HydrophobicContact CG1-CG 4.16Å; V811-M815 WeakPolarHBondContact O-CG 3.39Å; V811-M815 PolarHBondContact O-N 3.4Å |
| 812 | W | 89.9 | Confident | 87 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 178 | -69.2 | -7.1 | 0 | 0 | 0 | 113.2 | I808 L809 C814 M815 L816 Y823 F824 F827 V837 L840 L841 W844 | I808-W812 HydrophobicContact CG2-CD2 3.62Å; I808-W812 HydrophobicContact CG2-CE3 3.84Å; I808-W812 HydrophobicContact CG2-CG 4.33Å; I808-W812 HydrophobicContact CG2-CH2 3.49Å; I808-W812 VanDerWaalsContact CG2-CH2 3.49Å; I808-W812 HydrophobicContact CG2-CZ2 3.29Å; I808-W812 HydrophobicContact CG2-CZ3 3.75Å; I808-W812 WeakPolarHBondContact O-CB 3.47Å; I808-W812 PolarHBondContact O-N 3.31Å; L809-W812 HydrophobicContact CD2-CE3 4.35Å; L809-W812 HydrophobicContact CD2-CZ3 4.48Å; W812-C814 VanDerWaalsContact C-N 3.32Å; W812-C814 PolarHBondContact O-N 3.08Å; W812-M815 PolarHBondContact O-N 3.04Å; W812-L816 WeakPolarHBondContact O-CB 3.19Å; W812-L816 PolarHBondContact O-N 2.82Å; W812-Y823 AromaticContact CD1-CE1 3.57Å; W812-Y823 AromaticContact CD1-CZ 3.93Å; W812-Y823 AromaticContact NE1-CE1 3.94Å; W812-Y823 PolarHBondContact NE1-OH 3.1Å; W812-F824 HydrophobicContact CB-CE1 4.27Å; W812-F824 HydrophobicContact CB-CZ 4.46Å; W812-F824 HydrophobicContact CG-CE1 4.18Å; W812-F827 HydrophobicContact CZ2-CZ 4.41Å; W812-V837 HydrophobicContact CH2-CG1 3.91Å; W812-V837 HydrophobicContact CZ2-CG1 3.86Å; W812-L840 HydrophobicContact CH2-CB 4.45Å; W812-L840 HydrophobicContact CH2-CD2 4.4Å; W812-L840 HydrophobicContact CH2-CG 4.44Å; W812-L840 HydrophobicContact CZ3-CB 4.44Å; W812-L840 HydrophobicContact CZ3-CD2 4.27Å; W812-L840 HydrophobicContact CZ3-CG 4.08Å; W812-L841 HydrophobicContact CD2-CD1 4.18Å; W812-L841 HydrophobicContact CE3-CD1 3.95Å; W812-L841 HydrophobicContact CH2-CB 3.57Å; W812-L841 HydrophobicContact CH2-CD1 3.99Å; W812-L841 HydrophobicContact CH2-CG 4.34Å; W812-L841 HydrophobicContact CZ2-CB 4.28Å; W812-L841 HydrophobicContact CZ2-CD1 4.17Å; W812-L841 VanDerWaalsContact CZ3-CA 3.4Å; W812-L841 HydrophobicContact CZ3-CB 3.84Å; W812-L841 HydrophobicContact CZ3-CD1 3.88Å; W812-L841 HydrophobicContact CZ3-CG 4.49Å; W812-W844 HydrophobicContact CB-CE3 4.48Å; W812-W844 HydrophobicContact CB-CH2 3.68Å; W812-W844 HydrophobicContact CB-CZ2 3.74Å; W812-W844 HydrophobicContact CB-CZ3 4.07Å; W812-W844 HydrophobicContact CE3-CD2 4.02Å; W812-W844 AromaticContact CE3-CE3 3.85Å; W812-W844 HydrophobicContact CE3-CE3 3.85Å; W812-W844 HydrophobicContact CE3-CG 4.36Å; W812-W844 HydrophobicContact CE3-CZ3 4.35Å |
| 813 | S | 88.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 37 Ų | 37 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L809 R810 V811 S817 W844 | L809-S813 VanDerWaalsContact O-CB 3.26Å; L809-S813 WeakPolarHBondContact O-CB 3.46Å; L809-S813 PolarHBondContact O-N 3.32Å; L809-S813 PolarHBondContact O-OG 2.91Å; R810-S813 PolarHBondContact O-N 2.81Å; V811-S813 VanDerWaalsContact C-N 3.34Å; V811-S813 PolarHBondContact O-N 3.42Å; S813-S817 VanDerWaalsContact O-CB 3.24Å; S813-S817 WeakPolarHBondContact O-CB 3.41Å; S813-S817 PolarHBondContact O-N 3.15Å; S813-S817 VanDerWaalsContact O-N 3.11Å; S813-S817 PolarHBondContact O-OG 3.26Å; S813-W844 PolarHBondContact OG-NE1 3.28Å |
| 814 | C | 88.6 | Confident | 87.4 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -53.7 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | L787 I793 R810 V811 W812 L816 S817 A818 | L787-C814 HydrophobicContact CD1-CB 4.25Å; I793-C814 HydrophobicContact CD1-CB 4.06Å; I793-C814 HydrophobicContact CG1-CB 4.09Å; R810-C814 WeakPolarHBondContact O-CB 3.43Å; R810-C814 PolarHBondContact O-N 3.45Å; V811-C814 WeakPolarHBondContact O-CB 3.45Å; V811-C814 PolarHBondContact O-N 3.27Å; V811-C814 VanDerWaalsContact O-N 3.11Å; W812-C814 VanDerWaalsContact C-N 3.32Å; W812-C814 PolarHBondContact O-N 3.08Å; C814-L816 VanDerWaalsContact C-N 3.32Å; C814-L816 PolarHBondContact O-N 3.02Å; C814-S817 PolarHBondContact O-N 2.8Å; C814-A818 WeakPolarHBondContact O-CB 3.03Å; C814-A818 PolarHBondContact O-N 3.3Å |
| 815 | M | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -39.6 | -179.4 | -61 | -51.7 | -81.6 | 0 | 0 | 112.3 | F767 V770 E771 L787 V811 W812 A818 K819 R820 Y823 F824 | F767-M815 HydrophobicContact CD1-CE 3.99Å; F767-M815 HydrophobicContact CD1-SD 3.54Å; F767-M815 VanDerWaalsContact CD1-SD 3.54Å; F767-M815 HydrophobicContact CE1-SD 3.8Å; V770-M815 HydrophobicContact CB-CE 4.12Å; V770-M815 HydrophobicContact CB-SD 4.46Å; V770-M815 HydrophobicContact CG1-CE 3.8Å; V770-M815 HydrophobicContact CG1-SD 3.96Å; E771-M815 HydrophobicContact CG-CE 3.94Å; L787-M815 HydrophobicContact CD1-SD 4.43Å; V811-M815 HydrophobicContact CG1-CG 4.16Å; V811-M815 WeakPolarHBondContact O-CG 3.39Å; V811-M815 PolarHBondContact O-N 3.4Å; W812-M815 PolarHBondContact O-N 3.04Å; M815-A818 CarbonylContact O-C 3.53Å; M815-K819 PolarHBondContact O-N 3.43Å; M815-R820 HydrophobicContact CB-CB 4.28Å; M815-R820 HydrophobicContact CE-CB 3.74Å; M815-R820 HydrophobicContact CE-CG 3.83Å; M815-R820 WeakPolarHBondContact O-CB 3.33Å; M815-R820 PolarHBondContact O-N 3.32Å; M815-R820 HydrophobicContact SD-CG 4.38Å; M815-Y823 HydrophobicContact CB-CD1 3.8Å; M815-Y823 HydrophobicContact CB-CE1 4.25Å; M815-Y823 HydrophobicContact CB-CG 4.24Å; M815-Y823 HydrophobicContact CE-CD1 4.45Å; M815-Y823 HydrophobicContact CE-CD2 3.81Å; M815-Y823 HydrophobicContact CE-CG 3.69Å; M815-Y823 HydrophobicContact CG-CD1 3.79Å; M815-Y823 HydrophobicContact CG-CD2 4.31Å; M815-Y823 HydrophobicContact CG-CE1 3.99Å; M815-Y823 HydrophobicContact CG-CE2 4.48Å; M815-Y823 HydrophobicContact CG-CG 3.96Å; M815-F824 HydrophobicContact CB-CE2 4.05Å; M815-F824 HydrophobicContact CB-CZ 4.12Å |
| 816 | L | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.8 | -41.8 | 177.2 | -178 | 65.6 | 0 | 0 | 0 | 112.6 | W812 C814 A818 K819 F824 W844 Y848 I887 L888 | W812-L816 WeakPolarHBondContact O-CB 3.19Å; W812-L816 PolarHBondContact O-N 2.82Å; C814-L816 VanDerWaalsContact C-N 3.32Å; C814-L816 PolarHBondContact O-N 3.02Å; L816-A818 VanDerWaalsContact C-N 3.31Å; L816-K819 WeakPolarHBondContact O-CA 3.49Å; L816-K819 PolarHBondContact O-N 2.92Å; L816-F824 HydrophobicContact CB-CE2 4.12Å; L816-F824 HydrophobicContact CB-CZ 3.96Å; L816-F824 HydrophobicContact CD1-CE2 4.36Å; L816-W844 HydrophobicContact CB-CH2 4.04Å; L816-W844 HydrophobicContact CB-CZ2 4.45Å; L816-W844 HydrophobicContact CD2-CH2 3.67Å; L816-W844 HydrophobicContact CD2-CZ2 3.97Å; L816-W844 HydrophobicContact CG-CH2 4.4Å; L816-Y848 HydrophobicContact CD2-CD1 3.91Å; L816-Y848 HydrophobicContact CD2-CD2 4.16Å; L816-Y848 HydrophobicContact CD2-CE1 3.66Å; L816-Y848 HydrophobicContact CD2-CE2 3.93Å; L816-Y848 HydrophobicContact CD2-CG 4.15Å; L816-I887 HydrophobicContact CD1-CB 3.87Å; L816-I887 HydrophobicContact CD1-CD1 4.42Å; L816-I887 HydrophobicContact CD1-CG2 3.68Å; L816-L888 HydrophobicContact CD1-CD2 4.17Å; L816-L888 HydrophobicContact CD1-CG 4.07Å; L816-L888 HydrophobicContact CD2-CD1 3.82Å; L816-L888 HydrophobicContact CD2-CD2 3.95Å; L816-L888 HydrophobicContact CD2-CG 3.86Å |
| 817 | S | 84.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | -179.5 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | H727 S813 C814 K819 | H727-S817 PolarHBondContact CD2-O 3.35Å; H727-S817 PolarHBondContact NE2-O 2.85Å; S813-S817 VanDerWaalsContact O-CB 3.24Å; S813-S817 WeakPolarHBondContact O-CB 3.41Å; S813-S817 PolarHBondContact O-N 3.15Å; S813-S817 VanDerWaalsContact O-N 3.11Å; S813-S817 PolarHBondContact O-OG 3.26Å; C814-S817 PolarHBondContact O-N 2.8Å; S817-K819 PolarHBondContact O-N 3.01Å |
| 818 | A | 83.4 | Confident | 86.5 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 6.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L730 F767 C814 M815 L816 R820 | L730-A818 HydrophobicContact CD1-CB 4.24Å; F767-A818 HydrophobicContact CD1-CB 4.47Å; F767-A818 HydrophobicContact CE1-CB 3.59Å; F767-A818 HydrophobicContact CE2-CB 3.72Å; F767-A818 HydrophobicContact CZ-CB 3.14Å; C814-A818 WeakPolarHBondContact O-CB 3.03Å; C814-A818 PolarHBondContact O-N 3.3Å; M815-A818 CarbonylContact O-C 3.53Å; L816-A818 VanDerWaalsContact C-N 3.31Å; A818-R820 HydrophobicContact CB-CG 4.11Å; A818-R820 WeakPolarHBondContact O-CD 3.42Å; A818-R820 PolarHBondContact O-N 2.77Å |
| 819 | K | 87 | Confident | 86 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 31.8 | 170.9 | -62.9 | 156.7 | -165.1 | 162.2 | 0 | 114.4 | H727 M815 L816 S817 V821 S880 K883 I887 | H727-K819 PolarHBondContact CE1-NZ 3.36Å; H727-K819 PolarHBondContact NE2-NZ 2.97Å; M815-K819 PolarHBondContact O-N 3.43Å; L816-K819 WeakPolarHBondContact O-CA 3.49Å; L816-K819 PolarHBondContact O-N 2.92Å; S817-K819 PolarHBondContact O-N 3.01Å; K819-V821 VanDerWaalsContact C-N 3.27Å; K819-V821 WeakPolarHBondContact O-CG2 3.47Å; K819-V821 PolarHBondContact O-N 3.27Å; K819-S880 WeakPolarHBondContact CE-OG 3.4Å; K819-S880 PolarHBondContact NZ-OG 3.29Å; K819-K883 HydrophobicContact CD-CB 3.88Å; K819-K883 HydrophobicContact CD-CD 3.96Å; K819-K883 HydrophobicContact CG-CB 4.33Å; K819-I887 HydrophobicContact CB-CD1 3.77Å; K819-I887 HydrophobicContact CG-CD1 3.95Å |
| 820 | R | 88.3 | Confident | 85.4 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | trans | -74.5 | 73.7 | 178.6 | -58.3 | -44.5 | -71.1 | -142.1 | -4.6 | 111 | E764 F767 E771 M815 A818 N822 Y823 F824 | E764-R820 IonicContact OE1-CZ 2.71Å; E764-R820 VanDerWaalsContact OE1-CZ 3.27Å; E764-R820 IonicContact OE1-NH1 3.8Å; E764-R820 PolarHBondContact OE1-NH1 2.85Å; E764-R820 IonicContact OE1-NH2 2.91Å; E764-R820 PolarHBondContact OE1-NH2 3.17Å; E764-R820 IonicContact OE2-CZ 2.8Å; E764-R820 IonicContact OE2-NH1 3.35Å; E764-R820 PolarHBondContact OE2-NH1 2.94Å; F767-R820 HydrophobicContact CB-CG 4.46Å; F767-R820 HydrophobicContact CD1-CG 3.82Å; F767-R820 HydrophobicContact CE1-CG 4.23Å; F767-R820 HydrophobicContact CG-CG 4.15Å; E771-R820 VanDerWaalsContact CD-NE 3.31Å; E771-R820 VanDerWaalsContact OE1-CB 3.28Å; E771-R820 WeakPolarHBondContact OE1-CB 3.22Å; E771-R820 IonicContact OE1-CZ 4Å; E771-R820 IonicContact OE1-NE 3.91Å; E771-R820 PolarHBondContact OE1-NE 3.4Å; E771-R820 IonicContact OE1-NH2 2.72Å; E771-R820 IonicContact OE2-CZ 2.64Å; E771-R820 IonicContact OE2-NE 2.87Å; E771-R820 PolarHBondContact OE2-NE 2.84Å; E771-R820 IonicContact OE2-NH2 3.8Å; E771-R820 PolarHBondContact OE2-NH2 3Å; M815-R820 HydrophobicContact CB-CB 4.28Å; M815-R820 HydrophobicContact CE-CB 3.74Å; M815-R820 HydrophobicContact CE-CG 3.83Å; M815-R820 WeakPolarHBondContact O-CB 3.33Å; M815-R820 PolarHBondContact O-N 3.32Å; M815-R820 HydrophobicContact SD-CG 4.38Å; A818-R820 HydrophobicContact CB-CG 4.11Å; A818-R820 WeakPolarHBondContact O-CD 3.42Å; A818-R820 PolarHBondContact O-N 2.77Å; R820-N822 VanDerWaalsContact C-N 3.25Å; R820-N822 PolarHBondContact O-N 2.97Å; R820-Y823 WeakPolarHBondContact O-CB 3.49Å; R820-Y823 PolarHBondContact O-N 2.73Å; R820-F824 WeakPolarHBondContact O-CD2 3.45Å | ||
| 821 | V | 87.6 | Confident | 84.6 | Confident | 37 Ų | 37 | 35.9 Ų | 35.9 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | -177.5 | -160.7 | 0 | 0 | 0 | 0 | 111.2 | K819 Y823 F824 L825 I887 M890 | K819-V821 VanDerWaalsContact C-N 3.27Å; K819-V821 WeakPolarHBondContact O-CG2 3.47Å; K819-V821 PolarHBondContact O-N 3.27Å; V821-Y823 VanDerWaalsContact C-N 3.28Å; V821-Y823 PolarHBondContact O-N 3.45Å; V821-F824 PolarHBondContact O-N 3.13Å; V821-F824 VanDerWaalsContact O-N 3.15Å; V821-L825 HydrophobicContact CG1-CD1 4.06Å; V821-L825 HydrophobicContact CG1-CG 4.32Å; V821-L825 WeakPolarHBondContact O-CG 3.35Å; V821-L825 PolarHBondContact O-N 2.84Å; V821-I887 HydrophobicContact CG1-CG2 4.48Å; V821-I887 HydrophobicContact CG2-CD1 3.86Å; V821-I887 HydrophobicContact CG2-CG1 3.86Å; V821-M890 HydrophobicContact CG1-CE 4.48Å; V821-M890 HydrophobicContact CG1-SD 3.78Å |
| 822 | N | 86.2 | Confident | 83.7 | Confident | 95 Ų | 95 | 42.9 Ų | 42.9 | 51% | 0.508 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -35.7 | -178.1 | -66.8 | -19.6 | 0 | 0 | 0 | 112.3 | R820 F824 L825 N826 | R820-N822 VanDerWaalsContact C-N 3.25Å; R820-N822 PolarHBondContact O-N 2.97Å; N822-F824 PolarHBondContact O-N 3.13Å; N822-L825 PolarHBondContact O-N 3.3Å; N822-N826 WeakPolarHBondContact O-CB 3.48Å; N822-N826 PolarHBondContact O-N 2.84Å; N822-N826 PolarHBondContact O-OD1 3.35Å |
| 823 | Y | 87.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -50.8 | 173.6 | 171 | -99.5 | 0 | 0 | 0 | 111.8 | V770 C777 W812 M815 R820 V821 N826 F827 | V770-Y823 HydrophobicContact CG1-CD2 3.87Å; V770-Y823 HydrophobicContact CG1-CE2 3.71Å; V770-Y823 WeakPolarHBondContact O-CD2 3.39Å; C777-Y823 PolarHBondContact SG-OH 3.36Å; W812-Y823 AromaticContact CD1-CE1 3.57Å; W812-Y823 AromaticContact CD1-CZ 3.93Å; W812-Y823 AromaticContact NE1-CE1 3.94Å; W812-Y823 PolarHBondContact NE1-OH 3.1Å; M815-Y823 HydrophobicContact CB-CD1 3.8Å; M815-Y823 HydrophobicContact CB-CE1 4.25Å; M815-Y823 HydrophobicContact CB-CG 4.24Å; M815-Y823 HydrophobicContact CE-CD1 4.45Å; M815-Y823 HydrophobicContact CE-CD2 3.81Å; M815-Y823 HydrophobicContact CE-CG 3.69Å; M815-Y823 HydrophobicContact CG-CD1 3.79Å; M815-Y823 HydrophobicContact CG-CD2 4.31Å; M815-Y823 HydrophobicContact CG-CE1 3.99Å; M815-Y823 HydrophobicContact CG-CE2 4.48Å; M815-Y823 HydrophobicContact CG-CG 3.96Å; R820-Y823 WeakPolarHBondContact O-CB 3.49Å; R820-Y823 PolarHBondContact O-N 2.73Å; V821-Y823 VanDerWaalsContact C-N 3.28Å; V821-Y823 PolarHBondContact O-N 3.45Å; Y823-N826 PolarHBondContact O-N 3.3Å; Y823-F827 WeakPolarHBondContact O-CB 3.42Å; Y823-F827 PolarHBondContact O-N 3.33Å |
| 824 | F | 86.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | -178.9 | -63.4 | -79.8 | 0 | 0 | 0 | 112.2 | W812 M815 L816 R820 V821 N822 F827 L828 W844 I887 V891 | W812-F824 HydrophobicContact CB-CE1 4.27Å; W812-F824 HydrophobicContact CB-CZ 4.46Å; W812-F824 HydrophobicContact CG-CE1 4.18Å; M815-F824 HydrophobicContact CB-CE2 4.05Å; M815-F824 HydrophobicContact CB-CZ 4.12Å; L816-F824 HydrophobicContact CB-CE2 4.12Å; L816-F824 HydrophobicContact CB-CZ 3.96Å; L816-F824 HydrophobicContact CD1-CE2 4.36Å; R820-F824 WeakPolarHBondContact O-CD2 3.45Å; V821-F824 PolarHBondContact O-N 3.13Å; V821-F824 VanDerWaalsContact O-N 3.15Å; N822-F824 PolarHBondContact O-N 3.13Å; F824-F827 PolarHBondContact O-N 3.29Å; F824-L828 WeakPolarHBondContact O-CG 3.29Å; F824-L828 PolarHBondContact O-N 3.07Å; F824-W844 HydrophobicContact CE1-CH2 4.21Å; F824-W844 HydrophobicContact CE1-CZ3 4.15Å; F824-W844 HydrophobicContact CZ-CH2 4.16Å; F824-I887 HydrophobicContact CD2-CG2 4.21Å; F824-V891 HydrophobicContact CB-CG2 3.51Å; F824-V891 HydrophobicContact CG-CG2 4.08Å |
| 825 | L | 83.8 | Confident | 82.4 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.2 | -64.7 | 175.5 | 0 | 0 | 0 | 111.7 | V821 N822 L828 N829 | V821-L825 HydrophobicContact CG1-CD1 4.06Å; V821-L825 HydrophobicContact CG1-CG 4.32Å; V821-L825 WeakPolarHBondContact O-CG 3.35Å; V821-L825 PolarHBondContact O-N 2.84Å; N822-L825 PolarHBondContact O-N 3.3Å; L825-L828 PolarHBondContact O-N 3.37Å; L825-N829 WeakPolarHBondContact O-CB 3.37Å; L825-N829 VanDerWaalsContact O-CG 3.23Å; L825-N829 PolarHBondContact O-N 3.18Å; L825-N829 PolarHBondContact O-ND2 2.78Å |
| 826 | N | 82.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.4 | -72.7 | -5.4 | 0 | 0 | 0 | 111.6 | E771 P774 N822 Y823 N829 L830 | E771-N826 PolarHBondContact O-ND2 2.97Å; P774-N826 HydrophobicContact CB-CB 4Å; P774-N826 HydrophobicContact CG-CB 4.07Å; N822-N826 WeakPolarHBondContact O-CB 3.48Å; N822-N826 PolarHBondContact O-N 2.84Å; N822-N826 PolarHBondContact O-OD1 3.35Å; Y823-N826 PolarHBondContact O-N 3.3Å; N826-N829 PolarHBondContact O-N 3.41Å; N826-L830 PolarHBondContact O-N 3.18Å |
| 827 | F | 79.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.4 | 175.7 | -105.3 | 0 | 0 | 0 | 112.1 | C777 W812 Y823 F824 N829 L830 I833 V837 L841 | C777-F827 HydrophobicContact CB-CD2 3.75Å; C777-F827 HydrophobicContact CB-CE2 3.65Å; C777-F827 WeakPolarHBondContact SG-CD2 3.31Å; W812-F827 HydrophobicContact CZ2-CZ 4.41Å; Y823-F827 WeakPolarHBondContact O-CB 3.42Å; Y823-F827 PolarHBondContact O-N 3.33Å; F824-F827 PolarHBondContact O-N 3.29Å; F827-N829 VanDerWaalsContact C-N 3.25Å; F827-N829 PolarHBondContact O-N 2.83Å; F827-L830 HydrophobicContact CD2-CD1 3.72Å; F827-L830 HydrophobicContact CE2-CD1 4.13Å; F827-L830 VanDerWaalsContact O-CB 3.29Å; F827-L830 WeakPolarHBondContact O-CB 3.45Å; F827-L830 VanDerWaalsContact O-CG 3.28Å; F827-L830 WeakPolarHBondContact O-CG 3.47Å; F827-L830 PolarHBondContact O-N 2.7Å; F827-L830 VanDerWaalsContact O-N 3.14Å; F827-I833 HydrophobicContact CD1-CD1 4.36Å; F827-I833 HydrophobicContact CE1-CD1 3.95Å; F827-I833 HydrophobicContact CE1-CG2 4.34Å; F827-I833 HydrophobicContact CE2-CD1 4.42Å; F827-I833 HydrophobicContact CE2-CG2 4.29Å; F827-I833 HydrophobicContact CZ-CD1 4Å; F827-I833 HydrophobicContact CZ-CG1 4.41Å; F827-I833 HydrophobicContact CZ-CG2 3.65Å; F827-I833 WeakPolarHBondContact O-CD1 3.14Å; F827-V837 HydrophobicContact CE2-CG1 4.49Å; F827-V837 HydrophobicContact CZ-CG1 3.9Å; F827-L841 HydrophobicContact CD1-CD2 4.31Å; F827-L841 HydrophobicContact CE1-CD2 3.89Å |
| 828 | L | 79.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -28.9 | 178.1 | -70.6 | -169.7 | 0 | 0 | 0 | 113.3 | F824 L825 L830 L841 V891 C894 L895 R900 | F824-L828 WeakPolarHBondContact O-CG 3.29Å; F824-L828 PolarHBondContact O-N 3.07Å; L825-L828 PolarHBondContact O-N 3.37Å; L828-L830 PolarHBondContact O-N 3.37Å; L828-L841 HydrophobicContact CD2-CD2 4.29Å; L828-V891 HydrophobicContact CD1-CG1 4.09Å; L828-V891 WeakPolarHBondContact CD1-O 3.47Å; L828-C894 HydrophobicContact CD1-CB 3.49Å; L828-C894 VanDerWaalsContact CD1-CB 3.49Å; L828-L895 HydrophobicContact CD1-CG 4.25Å; L828-L895 HydrophobicContact CD2-CD2 3.44Å; L828-L895 VanDerWaalsContact CD2-CD2 3.44Å; L828-L895 HydrophobicContact CD2-CG 3.89Å; L828-R900 PolarHBondContact O-NH1 2.93Å |
| 829 | N | 78.3 | Confident | 81.9 | Confident | 126 Ų | 126 | 63.1 Ų | 63.1 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.2 | 176.2 | -72.7 | -28.4 | 0 | 0 | 0 | 114 | L825 N826 F827 Q831 | L825-N829 WeakPolarHBondContact O-CB 3.37Å; L825-N829 VanDerWaalsContact O-CG 3.23Å; L825-N829 PolarHBondContact O-N 3.18Å; L825-N829 PolarHBondContact O-ND2 2.78Å; N826-N829 PolarHBondContact O-N 3.41Å; F827-N829 VanDerWaalsContact C-N 3.25Å; F827-N829 PolarHBondContact O-N 2.83Å; N829-Q831 PolarHBondContact O-N 3.38Å |
| 830 | L | 76.2 | Confident | 82 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | trans | -59.6 | 131.7 | 173 | -67 | 174.1 | 0 | 0 | 0 | 110.7 | P774 T775 N826 F827 L828 I832 I833 R900 | P774-L830 HydrophobicContact CB-CD1 4.47Å; P774-L830 HydrophobicContact CB-CD2 4.2Å; P774-L830 HydrophobicContact CB-CG 4.4Å; P774-L830 HydrophobicContact CG-CD2 4.03Å; T775-L830 HydrophobicContact CG2-CD2 4.24Å; N826-L830 PolarHBondContact O-N 3.18Å; F827-L830 HydrophobicContact CD2-CD1 3.72Å; F827-L830 HydrophobicContact CE2-CD1 4.13Å; F827-L830 VanDerWaalsContact O-CB 3.29Å; F827-L830 WeakPolarHBondContact O-CB 3.45Å; F827-L830 VanDerWaalsContact O-CG 3.28Å; F827-L830 WeakPolarHBondContact O-CG 3.47Å; F827-L830 PolarHBondContact O-N 2.7Å; F827-L830 VanDerWaalsContact O-N 3.14Å; L828-L830 PolarHBondContact O-N 3.37Å; L830-I832 VanDerWaalsContact C-N 3.28Å; L830-I832 PolarHBondContact O-N 2.68Å; L830-I833 HydrophobicContact CB-CD1 4.46Å; L830-I833 HydrophobicContact CB-CG1 3.98Å; L830-R900 PolarHBondContact O-NH1 3.12Å; L830-R900 PolarHBondContact O-NH2 2.86Å | ||
| 831 | Q | 71 | Confident | 81.9 | Confident | 177 Ų | 177 | 60.9 Ų | 60.9 | 83% | 0.827 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -63.1 | -35.1 | -179.8 | -71.7 | -172.7 | -16.5 | 0 | 0 | 112.4 | N829 R900 | N829-Q831 PolarHBondContact O-N 3.38Å; Q831-R900 PolarHBondContact O-NH2 3.45Å |
| 832 | I | 71.3 | Confident | 81.8 | Confident | 150 Ų | 150 | 60.6 Ų | 60.6 | 77% | 0.769 | 31% | 0.314 | S | S | * | . | trans | -124.2 | 128.1 | 178.1 | -55.8 | 176.3 | 0 | 0 | 0 | 108 | L830 | L830-I832 VanDerWaalsContact C-N 3.28Å; L830-I832 PolarHBondContact O-N 2.68Å | ||
| 833 | I | 76.4 | Confident | 81.9 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | trans | -130.1 | 136.5 | 169.4 | -58.6 | 179.8 | 0 | 0 | 0 | 106.5 | F827 L830 L838 | F827-I833 HydrophobicContact CD1-CD1 4.36Å; F827-I833 HydrophobicContact CE1-CD1 3.95Å; F827-I833 HydrophobicContact CE1-CG2 4.34Å; F827-I833 HydrophobicContact CE2-CD1 4.42Å; F827-I833 HydrophobicContact CE2-CG2 4.29Å; F827-I833 HydrophobicContact CZ-CD1 4Å; F827-I833 HydrophobicContact CZ-CG1 4.41Å; F827-I833 HydrophobicContact CZ-CG2 3.65Å; F827-I833 WeakPolarHBondContact O-CD1 3.14Å; L830-I833 HydrophobicContact CB-CD1 4.46Å; L830-I833 HydrophobicContact CB-CG1 3.98Å; I833-L838 HydrophobicContact CG2-CB 4.31Å | ||
| 834 | E | 79.7 | Confident | 82.1 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | trans | -67.6 | 134.7 | 179.4 | -159.3 | -174.4 | 132.2 | 0 | 0 | 111 | S836 V837 L838 | E834-S836 VanDerWaalsContact CG-OG 3.26Å; E834-S836 WeakPolarHBondContact CG-OG 3.49Å; E834-S836 PolarHBondContact O-N 3.48Å; E834-S836 VanDerWaalsContact O-N 3.13Å; E834-S836 WeakPolarHBondContact OE1-CB 3.17Å; E834-S836 PolarHBondContact OE1-OG 3.48Å; E834-V837 HydrophobicContact CB-CG2 4.22Å; E834-V837 PolarHBondContact O-N 3.29Å; E834-V837 VanDerWaalsContact O-N 3.15Å; E834-L838 PolarHBondContact O-N 2.66Å | ||
| 835 | P | 82.2 | Confident | 82.2 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.5 | -25.9 | -179.7 | -28.1 | 36.2 | 0 | 0 | 0 | 114.9 | K839 | P835-K839 WeakPolarHBondContact O-CB 3.47Å; P835-K839 PolarHBondContact O-N 3.24Å; P835-K839 VanDerWaalsContact O-N 3.08Å |
| 836 | S | 82.8 | Confident | 82.5 | Confident | 53 Ų | 53 | 62 Ų | 62 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -56.1 | 172.4 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | E834 L838 K839 L840 | E834-S836 VanDerWaalsContact CG-OG 3.26Å; E834-S836 WeakPolarHBondContact CG-OG 3.49Å; E834-S836 PolarHBondContact O-N 3.48Å; E834-S836 VanDerWaalsContact O-N 3.13Å; E834-S836 WeakPolarHBondContact OE1-CB 3.17Å; E834-S836 PolarHBondContact OE1-OG 3.48Å; S836-L838 VanDerWaalsContact C-N 3.32Å; S836-L838 PolarHBondContact O-N 2.88Å; S836-K839 WeakPolarHBondContact O-CB 3.31Å; S836-K839 PolarHBondContact O-N 3.16Å; S836-K839 VanDerWaalsContact O-N 3.09Å; S836-L840 PolarHBondContact O-N 2.93Å |
| 837 | V | 83.9 | Confident | 82.9 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 179 | -177 | 0 | 0 | 0 | 0 | 111.1 | I808 W812 F827 E834 K839 L840 L841 | I808-V837 HydrophobicContact CD1-CG2 4.38Å; W812-V837 HydrophobicContact CH2-CG1 3.91Å; W812-V837 HydrophobicContact CZ2-CG1 3.86Å; F827-V837 HydrophobicContact CE2-CG1 4.49Å; F827-V837 HydrophobicContact CZ-CG1 3.9Å; E834-V837 HydrophobicContact CB-CG2 4.22Å; E834-V837 PolarHBondContact O-N 3.29Å; E834-V837 VanDerWaalsContact O-N 3.15Å; V837-K839 PolarHBondContact O-N 2.95Å; V837-L840 WeakPolarHBondContact O-CB 3.41Å; V837-L840 PolarHBondContact O-N 2.74Å; V837-L841 PolarHBondContact O-N 3.23Å |
| 838 | L | 84.4 | Confident | 83.4 | Confident | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 174 | 177.8 | 58.1 | 0 | 0 | 0 | 112.4 | I833 E834 S836 K842 L895 R900 | I833-L838 HydrophobicContact CG2-CB 4.31Å; E834-L838 PolarHBondContact O-N 2.66Å; S836-L838 VanDerWaalsContact C-N 3.32Å; S836-L838 PolarHBondContact O-N 2.88Å; L838-K842 PolarHBondContact O-N 2.94Å; L838-L895 HydrophobicContact CD1-CD1 4.27Å; L838-L895 HydrophobicContact CD1-CD2 3.55Å; L838-R900 HydrophobicContact CD2-CB 4.29Å |
| 839 | K | 85.5 | Confident | 83.8 | Confident | 133 Ų | 133 | 66.2 Ų | 66.2 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 173.2 | -174.6 | 179.4 | 179.6 | -178.7 | 0 | 111.6 | P835 S836 V837 N843 | P835-K839 WeakPolarHBondContact O-CB 3.47Å; P835-K839 PolarHBondContact O-N 3.24Å; P835-K839 VanDerWaalsContact O-N 3.08Å; S836-K839 WeakPolarHBondContact O-CB 3.31Å; S836-K839 PolarHBondContact O-N 3.16Å; S836-K839 VanDerWaalsContact O-N 3.09Å; V837-K839 PolarHBondContact O-N 2.95Å; K839-N843 WeakPolarHBondContact O-CB 3.47Å; K839-N843 VanDerWaalsContact O-CG 3.26Å; K839-N843 PolarHBondContact O-N 3.11Å; K839-N843 VanDerWaalsContact O-N 3.1Å |
| 840 | L | 88.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.3 | -172.2 | 67.3 | 0 | 0 | 0 | 111.2 | D805 I808 L809 W812 S836 V837 N843 W844 | D805-L840 HydrophobicContact CB-CD1 4.49Å; D805-L840 HydrophobicContact CB-CD2 3.94Å; I808-L840 HydrophobicContact CB-CD2 4.44Å; I808-L840 HydrophobicContact CG2-CD2 4.16Å; L809-L840 HydrophobicContact CD1-CD1 4.34Å; L809-L840 HydrophobicContact CD2-CD1 4.18Å; L809-L840 HydrophobicContact CD2-CD2 4.49Å; L809-L840 HydrophobicContact CD2-CG 4.17Å; L809-L840 HydrophobicContact CG-CD1 4.44Å; L809-L840 HydrophobicContact CG-CD2 4.4Å; W812-L840 HydrophobicContact CH2-CB 4.45Å; W812-L840 HydrophobicContact CH2-CD2 4.4Å; W812-L840 HydrophobicContact CH2-CG 4.44Å; W812-L840 HydrophobicContact CZ3-CB 4.44Å; W812-L840 HydrophobicContact CZ3-CD2 4.27Å; W812-L840 HydrophobicContact CZ3-CG 4.08Å; S836-L840 PolarHBondContact O-N 2.93Å; V837-L840 WeakPolarHBondContact O-CB 3.41Å; V837-L840 PolarHBondContact O-N 2.74Å; L840-N843 PolarHBondContact O-N 3.35Å; L840-W844 WeakPolarHBondContact O-CB 3.38Å; L840-W844 PolarHBondContact O-N 3.07Å |
| 841 | L | 87.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -50.5 | 178.6 | -179.1 | 62.2 | 0 | 0 | 0 | 112.3 | W812 F827 L828 V837 W844 A845 V891 L895 | W812-L841 HydrophobicContact CD2-CD1 4.18Å; W812-L841 HydrophobicContact CE3-CD1 3.95Å; W812-L841 HydrophobicContact CH2-CB 3.57Å; W812-L841 HydrophobicContact CH2-CD1 3.99Å; W812-L841 HydrophobicContact CH2-CG 4.34Å; W812-L841 HydrophobicContact CZ2-CB 4.28Å; W812-L841 HydrophobicContact CZ2-CD1 4.17Å; W812-L841 VanDerWaalsContact CZ3-CA 3.4Å; W812-L841 HydrophobicContact CZ3-CB 3.84Å; W812-L841 HydrophobicContact CZ3-CD1 3.88Å; W812-L841 HydrophobicContact CZ3-CG 4.49Å; F827-L841 HydrophobicContact CD1-CD2 4.31Å; F827-L841 HydrophobicContact CE1-CD2 3.89Å; L828-L841 HydrophobicContact CD2-CD2 4.29Å; V837-L841 PolarHBondContact O-N 3.23Å; L841-W844 HydrophobicContact CD1-CE3 3.96Å; L841-W844 HydrophobicContact CD1-CZ3 4.07Å; L841-W844 PolarHBondContact O-N 3.17Å; L841-A845 VanDerWaalsContact O-CB 3.3Å; L841-A845 WeakPolarHBondContact O-CB 3.36Å; L841-A845 PolarHBondContact O-N 3.4Å; L841-V891 HydrophobicContact CD2-CG1 4.44Å; L841-L895 HydrophobicContact CD2-CD1 4.21Å |
| 842 | K | 85.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 178.9 | -68.4 | -170.7 | -66.4 | 163.2 | 0 | 111.5 | L838 W844 A845 W846 L895 D906 | L838-K842 PolarHBondContact O-N 2.94Å; K842-W844 PolarHBondContact O-N 3.42Å; K842-A845 PolarHBondContact O-N 2.83Å; K842-W846 WeakPolarHBondContact O-CB 3.45Å; K842-W846 PolarHBondContact O-N 2.86Å; K842-L895 HydrophobicContact CG-CD1 4.13Å; K842-D906 WeakPolarHBondContact CD-OD1 3.38Å; K842-D906 IonicContact NZ-OD1 2.7Å; K842-D906 PolarHBondContact NZ-OD1 3.37Å; K842-D906 IonicContact NZ-OD2 3.59Å; K842-D906 PolarHBondContact NZ-OD2 2.85Å |
| 843 | N | 88.3 | Confident | 86.5 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.4 | -75.2 | -7.7 | 0 | 0 | 0 | 112.2 | K839 L840 Q847 | K839-N843 WeakPolarHBondContact O-CB 3.47Å; K839-N843 VanDerWaalsContact O-CG 3.26Å; K839-N843 PolarHBondContact O-N 3.11Å; K839-N843 VanDerWaalsContact O-N 3.1Å; L840-N843 PolarHBondContact O-N 3.35Å; N843-Q847 VanDerWaalsContact O-CG 3.26Å; N843-Q847 WeakPolarHBondContact O-CG 3.44Å; N843-Q847 PolarHBondContact O-N 3.3Å; N843-Q847 VanDerWaalsContact O-N 3.07Å |
| 844 | W | 91.1 | Very high | 87 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 179.2 | 168 | 80.7 | 0 | 0 | 0 | 112.2 | L809 W812 S813 L816 F824 L840 L841 K842 W846 Q847 Y848 L888 | L809-W844 HydrophobicContact CD2-CB 3.64Å; L809-W844 VanDerWaalsContact CD2-CD1 3.44Å; L809-W844 HydrophobicContact CD2-CG 3.62Å; W812-W844 HydrophobicContact CB-CE3 4.48Å; W812-W844 HydrophobicContact CB-CH2 3.68Å; W812-W844 HydrophobicContact CB-CZ2 3.74Å; W812-W844 HydrophobicContact CB-CZ3 4.07Å; W812-W844 HydrophobicContact CE3-CD2 4.02Å; W812-W844 AromaticContact CE3-CE3 3.85Å; W812-W844 HydrophobicContact CE3-CE3 3.85Å; W812-W844 HydrophobicContact CE3-CG 4.36Å; W812-W844 HydrophobicContact CE3-CZ3 4.35Å; S813-W844 PolarHBondContact OG-NE1 3.28Å; L816-W844 HydrophobicContact CB-CH2 4.04Å; L816-W844 HydrophobicContact CB-CZ2 4.45Å; L816-W844 HydrophobicContact CD2-CH2 3.67Å; L816-W844 HydrophobicContact CD2-CZ2 3.97Å; L816-W844 HydrophobicContact CG-CH2 4.4Å; F824-W844 HydrophobicContact CE1-CH2 4.21Å; F824-W844 HydrophobicContact CE1-CZ3 4.15Å; F824-W844 HydrophobicContact CZ-CH2 4.16Å; L840-W844 WeakPolarHBondContact O-CB 3.38Å; L840-W844 PolarHBondContact O-N 3.07Å; L841-W844 HydrophobicContact CD1-CE3 3.96Å; L841-W844 HydrophobicContact CD1-CZ3 4.07Å; L841-W844 PolarHBondContact O-N 3.17Å; K842-W844 PolarHBondContact O-N 3.42Å; W844-W846 VanDerWaalsContact C-N 3.32Å; W844-W846 PolarHBondContact O-N 3.07Å; W844-Q847 PolarHBondContact O-N 3.47Å; W844-Y848 HydrophobicContact CZ2-CD2 4.38Å; W844-Y848 WeakPolarHBondContact O-CB 3.46Å; W844-Y848 PolarHBondContact O-N 2.94Å; W844-L888 HydrophobicContact CE3-CD2 4.46Å; W844-L888 HydrophobicContact CH2-CD2 4.11Å; W844-L888 HydrophobicContact CZ3-CD2 3.7Å |
| 845 | A | 89.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L841 K842 Y848 G849 L888 | L841-A845 VanDerWaalsContact O-CB 3.3Å; L841-A845 WeakPolarHBondContact O-CB 3.36Å; L841-A845 PolarHBondContact O-N 3.4Å; K842-A845 PolarHBondContact O-N 2.83Å; A845-Y848 PolarHBondContact O-N 3.4Å; A845-G849 PolarHBondContact O-N 2.84Å; A845-L888 HydrophobicContact CB-CD1 4.48Å; A845-L888 HydrophobicContact CB-CD2 3.91Å |
| 846 | W | 89.6 | Confident | 87.5 | Confident | 66 Ų | 66 | 56 Ų | 56 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 176.2 | 178 | -128.1 | 0 | 0 | 0 | 112.5 | K842 W844 Y848 G849 I850 Q909 A912 M913 I916 | K842-W846 WeakPolarHBondContact O-CB 3.45Å; K842-W846 PolarHBondContact O-N 2.86Å; W844-W846 VanDerWaalsContact C-N 3.32Å; W844-W846 PolarHBondContact O-N 3.07Å; W846-Y848 VanDerWaalsContact C-N 3.34Å; W846-Y848 PolarHBondContact O-N 3.34Å; W846-G849 PolarHBondContact O-N 3.43Å; W846-I850 HydrophobicContact CD2-CD1 4.09Å; W846-I850 HydrophobicContact CD2-CG1 4.47Å; W846-I850 HydrophobicContact CG-CD1 4.42Å; W846-I850 HydrophobicContact CZ2-CD1 3.91Å; W846-I850 HydrophobicContact CZ2-CG1 4.42Å; W846-I850 WeakPolarHBondContact O-CG1 3.38Å; W846-I850 PolarHBondContact O-N 3.4Å; W846-Q909 HydrophobicContact CD2-CG 4.19Å; W846-Q909 HydrophobicContact CE3-CB 4.36Å; W846-Q909 HydrophobicContact CE3-CG 4.44Å; W846-Q909 HydrophobicContact CG-CG 4.49Å; W846-A912 HydrophobicContact CH2-CB 3.59Å; W846-A912 HydrophobicContact CZ3-CB 3.58Å; W846-M913 HydrophobicContact CE3-CG 3.89Å; W846-M913 HydrophobicContact CE3-SD 3.93Å; W846-M913 HydrophobicContact CZ3-CG 4.17Å; W846-M913 HydrophobicContact CZ3-SD 4.33Å; W846-I916 HydrophobicContact CZ3-CD1 4.14Å |
| 847 | Q | 90.4 | Very high | 87.7 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 56% | 0.556 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.1 | -36.6 | 177.6 | -67.5 | -64.6 | -19.6 | 0 | 0 | 112.4 | N843 W844 I850 R851 | N843-Q847 VanDerWaalsContact O-CG 3.26Å; N843-Q847 WeakPolarHBondContact O-CG 3.44Å; N843-Q847 PolarHBondContact O-N 3.3Å; N843-Q847 VanDerWaalsContact O-N 3.07Å; W844-Q847 PolarHBondContact O-N 3.47Å; Q847-I850 PolarHBondContact O-N 2.97Å; Q847-R851 WeakPolarHBondContact O-CB 3.29Å; Q847-R851 PolarHBondContact O-N 3.07Å |
| 848 | Y | 90.6 | Very high | 87.7 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.5 | -166.9 | -79 | 0 | 0 | 0 | 110.9 | L816 W844 A845 W846 R851 S852 L888 | L816-Y848 HydrophobicContact CD2-CD1 3.91Å; L816-Y848 HydrophobicContact CD2-CD2 4.16Å; L816-Y848 HydrophobicContact CD2-CE1 3.66Å; L816-Y848 HydrophobicContact CD2-CE2 3.93Å; L816-Y848 HydrophobicContact CD2-CG 4.15Å; W844-Y848 HydrophobicContact CZ2-CD2 4.38Å; W844-Y848 WeakPolarHBondContact O-CB 3.46Å; W844-Y848 PolarHBondContact O-N 2.94Å; A845-Y848 PolarHBondContact O-N 3.4Å; W846-Y848 VanDerWaalsContact C-N 3.34Å; W846-Y848 PolarHBondContact O-N 3.34Å; Y848-R851 PolarHBondContact O-N 3.42Å; Y848-S852 WeakPolarHBondContact CD1-OG 3.45Å; Y848-S852 VanDerWaalsContact CE1-OG 3.26Å; Y848-S852 WeakPolarHBondContact CE1-OG 3.31Å; Y848-S852 WeakPolarHBondContact O-CB 3.45Å; Y848-S852 PolarHBondContact O-N 3.03Å; Y848-S852 PolarHBondContact O-OG 2.83Å; Y848-S852 VanDerWaalsContact O-OG 3.09Å; Y848-L888 HydrophobicContact CD1-CD1 3.53Å; Y848-L888 HydrophobicContact CE1-CD1 4.36Å; Y848-L888 HydrophobicContact CG-CD1 3.96Å |
| 849 | G | 87.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | A845 W846 R851 S852 K853 | A845-G849 PolarHBondContact O-N 2.84Å; W846-G849 PolarHBondContact O-N 3.43Å; G849-R851 PolarHBondContact O-N 3.29Å; G849-S852 PolarHBondContact O-N 3.44Å; G849-K853 WeakPolarHBondContact O-CB 3.49Å; G849-K853 PolarHBondContact O-N 3.23Å |
| 850 | I | 88.6 | Confident | 87.3 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 174.9 | -67 | 168.7 | 0 | 0 | 0 | 111 | W846 Q847 K853 R854 | W846-I850 HydrophobicContact CD2-CD1 4.09Å; W846-I850 HydrophobicContact CD2-CG1 4.47Å; W846-I850 HydrophobicContact CG-CD1 4.42Å; W846-I850 HydrophobicContact CZ2-CD1 3.91Å; W846-I850 HydrophobicContact CZ2-CG1 4.42Å; W846-I850 WeakPolarHBondContact O-CG1 3.38Å; W846-I850 PolarHBondContact O-N 3.4Å; Q847-I850 PolarHBondContact O-N 2.97Å; I850-K853 PolarHBondContact O-N 2.93Å; I850-R854 PolarHBondContact O-N 3.42Å; I850-R854 VanDerWaalsContact O-N 3.1Å |
| 851 | R | 88.2 | Confident | 86.9 | Confident | 201 Ų | 201 | 54.4 Ų | 54.4 | 76% | 0.758 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.7 | -44 | 179.3 | -174.6 | 177.1 | -178.9 | 170.9 | 0.8 | 111.7 | Q847 Y848 G849 R854 M855 | Q847-R851 WeakPolarHBondContact O-CB 3.29Å; Q847-R851 PolarHBondContact O-N 3.07Å; Y848-R851 PolarHBondContact O-N 3.42Å; G849-R851 PolarHBondContact O-N 3.29Å; R851-R854 PolarHBondContact O-N 3.03Å; R851-M855 WeakPolarHBondContact O-CB 3.5Å; R851-M855 PolarHBondContact O-N 3.3Å |
| 852 | S | 86.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | Y848 G849 R854 M855 V856 | Y848-S852 WeakPolarHBondContact CD1-OG 3.45Å; Y848-S852 VanDerWaalsContact CE1-OG 3.26Å; Y848-S852 WeakPolarHBondContact CE1-OG 3.31Å; Y848-S852 WeakPolarHBondContact O-CB 3.45Å; Y848-S852 PolarHBondContact O-N 3.03Å; Y848-S852 PolarHBondContact O-OG 2.83Å; Y848-S852 VanDerWaalsContact O-OG 3.09Å; G849-S852 PolarHBondContact O-N 3.44Å; S852-R854 VanDerWaalsContact C-N 3.33Å; S852-R854 PolarHBondContact O-N 3.04Å; S852-M855 PolarHBondContact O-N 2.69Å; S852-V856 WeakPolarHBondContact O-CB 3.46Å; S852-V856 VanDerWaalsContact O-CG2 3.29Å; S852-V856 WeakPolarHBondContact O-CG2 3.47Å; S852-V856 PolarHBondContact O-N 2.75Å |
| 853 | K | 88.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 171.8 | 177.3 | -176.1 | 170 | -179 | 0 | 111.1 | G849 I850 V856 Q857 I916 Y919 L998 | G849-K853 WeakPolarHBondContact O-CB 3.49Å; G849-K853 PolarHBondContact O-N 3.23Å; I850-K853 PolarHBondContact O-N 2.93Å; K853-V856 PolarHBondContact O-N 2.82Å; K853-Q857 WeakPolarHBondContact O-CB 2.94Å; K853-Q857 PolarHBondContact O-N 3.25Å; K853-I916 HydrophobicContact CB-CG2 4.11Å; K853-I916 HydrophobicContact CD-CG1 4.23Å; K853-Y919 HydrophobicContact CG-CD1 3.76Å; K853-Y919 HydrophobicContact CG-CE1 3.75Å; K853-L998 HydrophobicContact CD-CD1 4.45Å |
| 854 | R | 88 | Confident | 84.8 | Confident | 152 Ų | 152 | 55.2 Ų | 55.2 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.6 | -46.1 | -178.8 | -170.1 | -175.1 | -69 | 160.7 | -0.2 | 111.7 | I850 R851 S852 V856 Q857 E858 | I850-R854 PolarHBondContact O-N 3.42Å; I850-R854 VanDerWaalsContact O-N 3.1Å; R851-R854 PolarHBondContact O-N 3.03Å; S852-R854 VanDerWaalsContact C-N 3.33Å; S852-R854 PolarHBondContact O-N 3.04Å; R854-V856 VanDerWaalsContact C-N 3.3Å; R854-V856 PolarHBondContact O-N 3.3Å; R854-Q857 WeakPolarHBondContact O-CB 3.42Å; R854-Q857 PolarHBondContact O-N 3.03Å; R854-Q857 VanDerWaalsContact O-N 3.11Å; R854-E858 WeakPolarHBondContact CD-OE1 3.37Å; R854-E858 HydrophobicContact CG-CG 4.41Å; R854-E858 VanDerWaalsContact CG-OE1 3.29Å; R854-E858 WeakPolarHBondContact CG-OE1 3.48Å; R854-E858 WeakPolarHBondContact O-CG 3.4Å; R854-E858 PolarHBondContact O-N 3.09Å |
| 855 | M | 86 | Confident | 83.7 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 35% | 0.345 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 177 | 178.1 | 177.6 | 167.5 | 0 | 0 | 112.6 | R851 S852 I859 K877 | R851-M855 WeakPolarHBondContact O-CB 3.5Å; R851-M855 PolarHBondContact O-N 3.3Å; S852-M855 PolarHBondContact O-N 2.69Å; M855-I859 HydrophobicContact CE-CD1 3.97Å; M855-I859 HydrophobicContact CG-CD1 4.07Å; M855-I859 WeakPolarHBondContact O-CB 3.37Å; M855-I859 VanDerWaalsContact O-CG1 3.27Å; M855-I859 WeakPolarHBondContact O-CG1 3.44Å; M855-I859 PolarHBondContact O-N 2.86Å; M855-K877 HydrophobicContact CE-CB 4.35Å; M855-K877 HydrophobicContact CE-CD 4.29Å; M855-K877 HydrophobicContact CE-CG 4.38Å |
| 856 | V | 85.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71 | -34.6 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | S852 K853 R854 A860 L878 C881 V920 V923 | S852-V856 WeakPolarHBondContact O-CB 3.46Å; S852-V856 VanDerWaalsContact O-CG2 3.29Å; S852-V856 WeakPolarHBondContact O-CG2 3.47Å; S852-V856 PolarHBondContact O-N 2.75Å; K853-V856 PolarHBondContact O-N 2.82Å; R854-V856 VanDerWaalsContact C-N 3.3Å; R854-V856 PolarHBondContact O-N 3.3Å; V856-A860 WeakPolarHBondContact O-CB 3.27Å; V856-A860 PolarHBondContact O-N 2.98Å; V856-L878 HydrophobicContact CG1-CD2 3.91Å; V856-L878 HydrophobicContact CG2-CD2 4.26Å; V856-C881 HydrophobicContact CG2-CB 3.9Å; V856-V920 HydrophobicContact CB-CG2 4.06Å; V856-V920 HydrophobicContact CG1-CB 4.46Å; V856-V920 HydrophobicContact CG1-CG1 4.3Å; V856-V920 HydrophobicContact CG1-CG2 4.07Å; V856-V920 HydrophobicContact CG2-CB 4.5Å; V856-V920 HydrophobicContact CG2-CG1 3.91Å; V856-V920 HydrophobicContact CG2-CG2 3.85Å; V856-V923 HydrophobicContact CG1-CB 3.81Å; V856-V923 HydrophobicContact CG1-CG1 3.6Å; V856-V923 HydrophobicContact CG1-CG2 4.29Å |
| 857 | Q | 86.7 | Confident | 80.4 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 172.9 | -172.9 | 178.4 | -2.5 | 0 | 0 | 111.7 | K853 R854 A860 M861 Y919 L992 | K853-Q857 WeakPolarHBondContact O-CB 2.94Å; K853-Q857 PolarHBondContact O-N 3.25Å; R854-Q857 WeakPolarHBondContact O-CB 3.42Å; R854-Q857 PolarHBondContact O-N 3.03Å; R854-Q857 VanDerWaalsContact O-N 3.11Å; Q857-A860 PolarHBondContact O-N 3.26Å; Q857-M861 WeakPolarHBondContact O-CG 3.5Å; Q857-M861 PolarHBondContact O-N 3.48Å; Q857-Y919 HydrophobicContact CB-CE1 4.49Å; Q857-Y919 WeakPolarHBondContact CB-OH 3.16Å; Q857-Y919 WeakPolarHBondContact CG-OH 3.31Å; Q857-L992 HydrophobicContact CG-CD2 4.33Å; Q857-L992 PolarHBondContact NE2-O 3.31Å |
| 858 | E | 84.6 | Confident | 78.7 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 174.8 | -71.5 | 161.6 | 179.3 | 0 | 0 | 110.9 | R854 A860 M861 D862 | R854-E858 WeakPolarHBondContact CD-OE1 3.37Å; R854-E858 HydrophobicContact CG-CG 4.41Å; R854-E858 VanDerWaalsContact CG-OE1 3.29Å; R854-E858 WeakPolarHBondContact CG-OE1 3.48Å; R854-E858 WeakPolarHBondContact O-CG 3.4Å; R854-E858 PolarHBondContact O-N 3.09Å; E858-A860 VanDerWaalsContact C-N 3.28Å; E858-A860 PolarHBondContact O-N 3.38Å; E858-M861 PolarHBondContact O-N 3.15Å; E858-D862 PolarHBondContact O-N 3.11Å |
| 859 | I | 80.7 | Confident | 77 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.1 | -41.7 | 175.2 | -80.9 | 170.1 | 0 | 0 | 0 | 112.7 | M855 H863 L874 K877 L878 L927 | M855-I859 HydrophobicContact CE-CD1 3.97Å; M855-I859 HydrophobicContact CG-CD1 4.07Å; M855-I859 WeakPolarHBondContact O-CB 3.37Å; M855-I859 VanDerWaalsContact O-CG1 3.27Å; M855-I859 WeakPolarHBondContact O-CG1 3.44Å; M855-I859 PolarHBondContact O-N 2.86Å; I859-H863 WeakPolarHBondContact O-CB 3.31Å; I859-H863 PolarHBondContact O-N 3.31Å; I859-H863 VanDerWaalsContact O-N 3.14Å; I859-L874 HydrophobicContact CB-CD1 4.28Å; I859-L874 HydrophobicContact CD1-CD1 4.38Å; I859-L874 HydrophobicContact CG1-CD1 3.91Å; I859-L874 HydrophobicContact CG2-CD1 3.69Å; I859-L874 HydrophobicContact CG2-CD2 4.15Å; I859-L874 HydrophobicContact CG2-CG 3.78Å; I859-K877 HydrophobicContact CD1-CB 4.2Å; I859-L878 HydrophobicContact CG2-CD1 3.95Å; I859-L878 HydrophobicContact CG2-CD2 3.82Å; I859-L878 HydrophobicContact CG2-CG 3.91Å; I859-L927 HydrophobicContact CG2-CD1 4.41Å |
| 860 | A | 80.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75 | -37.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V856 Q857 E858 L864 V923 L927 L992 | V856-A860 WeakPolarHBondContact O-CB 3.27Å; V856-A860 PolarHBondContact O-N 2.98Å; Q857-A860 PolarHBondContact O-N 3.26Å; E858-A860 VanDerWaalsContact C-N 3.28Å; E858-A860 PolarHBondContact O-N 3.38Å; A860-L864 WeakPolarHBondContact O-CB 3.49Å; A860-L864 VanDerWaalsContact O-CG 3.23Å; A860-L864 WeakPolarHBondContact O-CG 3.39Å; A860-L864 PolarHBondContact O-N 2.92Å; A860-L864 VanDerWaalsContact O-N 3.11Å; A860-V923 HydrophobicContact CB-CG1 3.67Å; A860-L927 HydrophobicContact CB-CD1 4.36Å; A860-L992 HydrophobicContact CB-CD1 3.65Å; A860-L992 HydrophobicContact CB-CD2 3.86Å; A860-L992 HydrophobicContact CB-CG 4.4Å |
| 861 | M | 80.2 | Confident | 74.1 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 173.3 | -71.7 | -59.5 | -52.2 | 0 | 0 | 111.5 | Q857 E858 H863 L864 D865 L992 | Q857-M861 WeakPolarHBondContact O-CG 3.5Å; Q857-M861 PolarHBondContact O-N 3.48Å; E858-M861 PolarHBondContact O-N 3.15Å; M861-H863 VanDerWaalsContact C-N 3.32Å; M861-H863 PolarHBondContact O-N 3.1Å; M861-L864 WeakPolarHBondContact O-CB 3.33Å; M861-L864 PolarHBondContact O-N 3.34Å; M861-L864 HydrophobicContact SD-CD1 4.49Å; M861-D865 PolarHBondContact O-N 3.07Å; M861-L992 HydrophobicContact CG-CD1 4.04Å; M861-L992 HydrophobicContact SD-CB 4.08Å; M861-L992 HydrophobicContact SD-CD1 3.58Å; M861-L992 VanDerWaalsContact SD-CD1 3.58Å; M861-L992 HydrophobicContact SD-CG 4.49Å |
| 862 | D | 74.8 | Confident | 72.8 | Confident | 99 Ų | 99 | 70 Ų | 70 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.3 | -82 | -16.4 | 0 | 0 | 0 | 111.1 | E858 L864 D865 Y866 | E858-D862 PolarHBondContact O-N 3.11Å; D862-L864 PolarHBondContact O-N 3.08Å; D862-D865 PolarHBondContact O-N 3.39Å; D862-Y866 WeakPolarHBondContact O-CD2 3.47Å; D862-Y866 PolarHBondContact O-N 3.02Å; D862-Y866 VanDerWaalsContact O-N 3.14Å |
| 863 | H | 72.7 | Confident | 71.6 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 6% | 0.06 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -179.7 | -171.4 | 58.3 | 0 | 0 | 0 | 113 | I859 M861 D865 Y866 G867 I870 L874 L927 | I859-H863 WeakPolarHBondContact O-CB 3.31Å; I859-H863 PolarHBondContact O-N 3.31Å; I859-H863 VanDerWaalsContact O-N 3.14Å; M861-H863 VanDerWaalsContact C-N 3.32Å; M861-H863 PolarHBondContact O-N 3.1Å; H863-D865 VanDerWaalsContact C-N 3.26Å; H863-D865 PolarHBondContact O-N 3.44Å; H863-Y866 PolarHBondContact O-N 2.75Å; H863-G867 PolarHBondContact CE1-O 2.73Å; H863-G867 PolarHBondContact O-N 2.94Å; H863-G867 VanDerWaalsContact O-N 3.08Å; H863-I870 WeakPolarHBondContact CE1-CG1 3.29Å; H863-I870 VanDerWaalsContact NE2-CG1 3.35Å; H863-I870 WeakPolarHBondContact NE2-CG1 3.48Å; H863-L874 HydrophobicContact CB-CD2 4.15Å; H863-L927 HydrophobicContact CB-CD2 4.15Å; H863-L927 VanDerWaalsContact CD2-CD2 3.43Å; H863-L927 WeakPolarHBondContact CD2-CD2 3.38Å |
| 864 | L | 71.2 | Confident | 70.6 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 177 | -79.4 | 170.1 | 0 | 0 | 0 | 113.7 | A860 M861 D862 E985 L988 R989 L992 | A860-L864 WeakPolarHBondContact O-CB 3.49Å; A860-L864 VanDerWaalsContact O-CG 3.23Å; A860-L864 WeakPolarHBondContact O-CG 3.39Å; A860-L864 PolarHBondContact O-N 2.92Å; A860-L864 VanDerWaalsContact O-N 3.11Å; M861-L864 WeakPolarHBondContact O-CB 3.33Å; M861-L864 PolarHBondContact O-N 3.34Å; M861-L864 HydrophobicContact SD-CD1 4.49Å; D862-L864 PolarHBondContact O-N 3.08Å; L864-E985 HydrophobicContact CD2-CB 4.44Å; L864-E985 HydrophobicContact CD2-CG 3.34Å; L864-L988 HydrophobicContact CD1-CD2 4.08Å; L864-L988 HydrophobicContact CD1-CG 4.14Å; L864-L988 HydrophobicContact CD2-CD2 4.13Å; L864-L988 HydrophobicContact CG-CD2 4.16Å; L864-R989 HydrophobicContact CD1-CG 3.89Å; L864-R989 PolarHBondContact O-NH2 3.2Å; L864-L992 HydrophobicContact CD1-CD1 3.61Å |
| 865 | D | 66.6 | Low | 69.8 | Low | 101 Ų | 101 | 70.2 Ų | 70.2 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -98.5 | -13.1 | -176.4 | -66.8 | -19.2 | 0 | 0 | 0 | 113.4 | M861 D862 H863 R989 | M861-D865 PolarHBondContact O-N 3.07Å; D862-D865 PolarHBondContact O-N 3.39Å; H863-D865 VanDerWaalsContact C-N 3.26Å; H863-D865 PolarHBondContact O-N 3.44Å; D865-R989 IonicContact OD1-CZ 2.94Å; D865-R989 IonicContact OD1-NH1 3.35Å; D865-R989 PolarHBondContact OD1-NH1 2.82Å; D865-R989 VanDerWaalsContact OD1-NH1 3.09Å; D865-R989 IonicContact OD1-NH2 3.87Å; D865-R989 PolarHBondContact OD1-NH2 3.21Å |
| 866 | Y | 57 | Low | 69.1 | Low | 200 Ų | 200 | 71.4 Ų | 71.4 | 78% | 0.784 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -107 | -13.3 | 176.4 | -70.4 | -65.4 | 0 | 0 | 0 | 115.9 | D862 H863 | D862-Y866 WeakPolarHBondContact O-CD2 3.47Å; D862-Y866 PolarHBondContact O-N 3.02Å; D862-Y866 VanDerWaalsContact O-N 3.14Å; H863-Y866 PolarHBondContact O-N 2.75Å |
| 867 | G | 53.7 | Low | 68.5 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | trans | 97.8 | 166.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | H863 E869 | H863-G867 PolarHBondContact CE1-O 2.73Å; H863-G867 PolarHBondContact O-N 2.94Å; H863-G867 VanDerWaalsContact O-N 3.08Å; G867-E869 VanDerWaalsContact C-N 3.26Å; G867-E869 PolarHBondContact O-N 3.5Å | ||
| 868 | N | 54 | Low | 68.1 | Low | 130 Ų | 130 | 75.2 Ų | 75.2 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -66.1 | 1.7 | -152.2 | -54.2 | 23.4 | 0 | 0 | 0 | 118.1 | I870 | N868-I870 PolarHBondContact O-N 2.82Š|
| 869 | E | 54 | Low | 67.8 | Low | 175 Ų | 175 | 71.5 Ų | 71.5 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | trans | -82.2 | 94 | 172.6 | -78.7 | -169.5 | -174.3 | 0 | 0 | 110.5 | G867 V871 | G867-E869 VanDerWaalsContact C-N 3.26Å; G867-E869 PolarHBondContact O-N 3.5Å; E869-V871 PolarHBondContact O-N 3.49Å | ||
| 870 | I | 54.3 | Low | 67.8 | Low | 49 Ų | 49 | 71.4 Ų | 71.4 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | trans | -67.4 | 105.8 | 170.4 | -65.4 | 178.6 | 0 | 0 | 0 | 108.9 | H863 N868 L874 H875 L927 | H863-I870 WeakPolarHBondContact CE1-CG1 3.29Å; H863-I870 VanDerWaalsContact NE2-CG1 3.35Å; H863-I870 WeakPolarHBondContact NE2-CG1 3.48Å; N868-I870 PolarHBondContact O-N 2.82Å; I870-L874 HydrophobicContact CG2-CB 4.28Å; I870-H875 HydrophobicContact CG2-CB 4.2Å; I870-L927 HydrophobicContact CD1-CB 3.87Å; I870-L927 WeakPolarHBondContact CD1-O 3.23Å | ||
| 871 | V | 62.2 | Low | 68 | Low | 84 Ų | 84 | 72 Ų | 72 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | trans | -58 | 129.6 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | E869 D873 L874 | E869-V871 PolarHBondContact O-N 3.49Å; V871-D873 HydrophobicContact CG1-CB 4.31Å; V871-D873 PolarHBondContact O-N 3.16Å; V871-L874 VanDerWaalsContact O-CB 3.22Å; V871-L874 WeakPolarHBondContact O-CB 3.28Å; V871-L874 PolarHBondContact O-N 2.98Å | ||
| 872 | P | 60.2 | Low | 68.1 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 41% | 0.409 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.3 | -28.9 | -175.5 | -31.4 | 36.8 | 0 | 0 | 0 | 115.2 | L874 H875 R876 | P872-L874 VanDerWaalsContact C-N 3.25Å; P872-L874 PolarHBondContact O-N 3.18Å; P872-H875 PolarHBondContact O-N 3.24Å; P872-R876 PolarHBondContact O-N 3.21Å |
| 873 | D | 62 | Low | 68.6 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.5 | -32.9 | 172.8 | -62.1 | -58.7 | 0 | 0 | 0 | 113.7 | V871 R876 K877 | V871-D873 HydrophobicContact CG1-CB 4.31Å; V871-D873 PolarHBondContact O-N 3.16Å; D873-R876 IonicContact OD1-CZ 3.27Å; D873-R876 IonicContact OD1-NH1 3.44Å; D873-R876 PolarHBondContact OD1-NH1 3.4Å; D873-R876 IonicContact OD1-NH2 2.85Å; D873-R876 PolarHBondContact OD1-NH2 3.45Å; D873-K877 VanDerWaalsContact O-CG 3.3Å; D873-K877 WeakPolarHBondContact O-CG 3.34Å; D873-K877 PolarHBondContact O-N 3.33Å |
| 874 | L | 68.5 | Low | 69.3 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.2 | -45 | 179.6 | -157.8 | 70.8 | 0 | 0 | 0 | 110.6 | I859 H863 I870 V871 P872 K877 L878 | I859-L874 HydrophobicContact CB-CD1 4.28Å; I859-L874 HydrophobicContact CD1-CD1 4.38Å; I859-L874 HydrophobicContact CG1-CD1 3.91Å; I859-L874 HydrophobicContact CG2-CD1 3.69Å; I859-L874 HydrophobicContact CG2-CD2 4.15Å; I859-L874 HydrophobicContact CG2-CG 3.78Å; H863-L874 HydrophobicContact CB-CD2 4.15Å; I870-L874 HydrophobicContact CG2-CB 4.28Å; V871-L874 VanDerWaalsContact O-CB 3.22Å; V871-L874 WeakPolarHBondContact O-CB 3.28Å; V871-L874 PolarHBondContact O-N 2.98Å; P872-L874 VanDerWaalsContact C-N 3.25Å; P872-L874 PolarHBondContact O-N 3.18Å; L874-K877 PolarHBondContact O-N 3.05Å; L874-L878 HydrophobicContact CG-CD1 4.45Å; L874-L878 WeakPolarHBondContact O-CD1 3.21Å; L874-L878 WeakPolarHBondContact O-CG 3.03Å; L874-L878 PolarHBondContact O-N 3.24Å |
| 875 | H | 70.1 | Confident | 70.2 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.7 | -173.3 | 119.3 | 0 | 0 | 0 | 111.6 | I870 P872 L878 S879 R928 | I870-H875 HydrophobicContact CG2-CB 4.2Å; P872-H875 PolarHBondContact O-N 3.24Å; H875-L878 PolarHBondContact O-N 3.35Å; H875-S879 WeakPolarHBondContact O-CB 3.44Å; H875-S879 PolarHBondContact O-N 3.46Å; H875-R928 WeakPolarHBondContact CE1-CG 3.37Å; H875-R928 PolarHBondContact CE1-NE 2.81Å; H875-R928 PolarHBondContact NE2-NH2 3.29Å |
| 876 | R | 70.6 | Confident | 71.2 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 173.5 | -81.7 | -171.8 | -89.2 | 95.3 | 2.7 | 111.9 | P872 D873 S880 | P872-R876 PolarHBondContact O-N 3.21Å; D873-R876 IonicContact OD1-CZ 3.27Å; D873-R876 IonicContact OD1-NH1 3.44Å; D873-R876 PolarHBondContact OD1-NH1 3.4Å; D873-R876 IonicContact OD1-NH2 2.85Å; D873-R876 PolarHBondContact OD1-NH2 3.45Å; R876-S880 WeakPolarHBondContact O-CB 3.49Å; R876-S880 PolarHBondContact O-N 3Å |
| 877 | K | 75.3 | Confident | 72.7 | Confident | 111 Ų | 111 | 56.8 Ų | 56.8 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 174 | -76.2 | 171.2 | -178.5 | 179.4 | 0 | 112.2 | M855 I859 D873 L874 S879 S880 C881 | M855-K877 HydrophobicContact CE-CB 4.35Å; M855-K877 HydrophobicContact CE-CD 4.29Å; M855-K877 HydrophobicContact CE-CG 4.38Å; I859-K877 HydrophobicContact CD1-CB 4.2Å; D873-K877 VanDerWaalsContact O-CG 3.3Å; D873-K877 WeakPolarHBondContact O-CG 3.34Å; D873-K877 PolarHBondContact O-N 3.33Å; L874-K877 PolarHBondContact O-N 3.05Å; K877-S879 PolarHBondContact O-N 2.94Å; K877-S880 PolarHBondContact O-N 3.48Å; K877-S880 VanDerWaalsContact O-N 3.11Å; K877-C881 PolarHBondContact O-N 3.18Å; K877-C881 PolarHBondContact O-SG 2.83Å |
| 878 | L | 77.7 | Confident | 74.5 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56 | -50.1 | 178.9 | -75.7 | 157.6 | 0 | 0 | 0 | 112.3 | V856 I859 L874 H875 S880 C881 Q882 V923 L927 | V856-L878 HydrophobicContact CG1-CD2 3.91Å; V856-L878 HydrophobicContact CG2-CD2 4.26Å; I859-L878 HydrophobicContact CG2-CD1 3.95Å; I859-L878 HydrophobicContact CG2-CD2 3.82Å; I859-L878 HydrophobicContact CG2-CG 3.91Å; L874-L878 HydrophobicContact CG-CD1 4.45Å; L874-L878 WeakPolarHBondContact O-CD1 3.21Å; L874-L878 WeakPolarHBondContact O-CG 3.03Å; L874-L878 PolarHBondContact O-N 3.24Å; H875-L878 PolarHBondContact O-N 3.35Å; L878-S880 VanDerWaalsContact C-N 3.26Å; L878-S880 PolarHBondContact O-N 3.01Å; L878-C881 PolarHBondContact O-N 3.34Å; L878-Q882 WeakPolarHBondContact O-CB 3.26Å; L878-Q882 PolarHBondContact O-N 3.26Å; L878-V923 HydrophobicContact CD2-CG1 4.44Å; L878-L927 HydrophobicContact CD1-CD1 3.48Å; L878-L927 VanDerWaalsContact CD1-CD1 3.48Å; L878-L927 HydrophobicContact CD2-CD1 4.09Å; L878-L927 HydrophobicContact CG-CD1 4.45Å |
| 879 | S | 77.7 | Confident | 76.1 | Confident | 25 Ų | 25 | 50 Ų | 50 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -29.9 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | H875 K877 K883 | H875-S879 WeakPolarHBondContact O-CB 3.44Å; H875-S879 PolarHBondContact O-N 3.46Å; K877-S879 PolarHBondContact O-N 2.94Å; S879-K883 WeakPolarHBondContact O-CG 3.5Å; S879-K883 PolarHBondContact O-N 3.36Å |
| 880 | S | 80.4 | Confident | 77.7 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -47 | 173.8 | -143.4 | 0 | 0 | 0 | 0 | 112.1 | H727 K819 R876 K877 L878 Q882 K883 S884 | H727-S880 PolarHBondContact CE1-OG 3.33Å; K819-S880 WeakPolarHBondContact CE-OG 3.4Å; K819-S880 PolarHBondContact NZ-OG 3.29Å; R876-S880 WeakPolarHBondContact O-CB 3.49Å; R876-S880 PolarHBondContact O-N 3Å; K877-S880 PolarHBondContact O-N 3.48Å; K877-S880 VanDerWaalsContact O-N 3.11Å; L878-S880 VanDerWaalsContact C-N 3.26Å; L878-S880 PolarHBondContact O-N 3.01Å; S880-Q882 VanDerWaalsContact C-N 3.32Å; S880-Q882 PolarHBondContact O-N 2.9Å; S880-K883 PolarHBondContact O-N 3.48Å; S880-S884 WeakPolarHBondContact O-CB 3.43Å; S880-S884 PolarHBondContact O-N 2.83Å; S880-S884 PolarHBondContact O-OG 2.74Å; S880-S884 VanDerWaalsContact O-OG 3.07Å |
| 881 | C | 84.1 | Confident | 79.2 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | V856 K877 L878 S884 I885 V920 | V856-C881 HydrophobicContact CG2-CB 3.9Å; K877-C881 PolarHBondContact O-N 3.18Å; K877-C881 PolarHBondContact O-SG 2.83Å; L878-C881 PolarHBondContact O-N 3.34Å; C881-S884 PolarHBondContact O-N 2.81Å; C881-I885 WeakPolarHBondContact O-CD1 3.43Å; C881-I885 VanDerWaalsContact O-CG1 3.31Å; C881-I885 WeakPolarHBondContact O-CG1 3.31Å; C881-I885 PolarHBondContact O-N 3.43Å; C881-I885 VanDerWaalsContact O-N 3.07Å; C881-V920 HydrophobicContact CB-CG1 4.49Å |
| 882 | Q | 83.8 | Confident | 80.3 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.5 | -61.7 | 176.1 | -172.6 | -164.7 | -33.8 | 0 | 0 | 111.1 | L878 S880 S884 I885 E886 V920 R921 | L878-Q882 WeakPolarHBondContact O-CB 3.26Å; L878-Q882 PolarHBondContact O-N 3.26Å; S880-Q882 VanDerWaalsContact C-N 3.32Å; S880-Q882 PolarHBondContact O-N 2.9Å; Q882-S884 PolarHBondContact O-N 3.41Å; Q882-I885 PolarHBondContact O-N 3.43Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.29Å; Q882-E886 PolarHBondContact NE2-OE1 2.9Å; Q882-E886 WeakPolarHBondContact O-CG 3.4Å; Q882-E886 PolarHBondContact O-N 2.8Å; Q882-V920 HydrophobicContact CB-CG1 3.96Å; Q882-R921 HydrophobicContact CG-CG 3.91Å |
| 883 | K | 83.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 37.7 Ų | 37.7 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -33.2 | -177.7 | -67.2 | -176.7 | -173.2 | -176 | 0 | 112.7 | K819 S879 S880 E886 I887 | K819-K883 HydrophobicContact CD-CB 3.88Å; K819-K883 HydrophobicContact CD-CD 3.96Å; K819-K883 HydrophobicContact CG-CB 4.33Å; S879-K883 WeakPolarHBondContact O-CG 3.5Å; S879-K883 PolarHBondContact O-N 3.36Å; S880-K883 PolarHBondContact O-N 3.48Å; K883-E886 WeakPolarHBondContact CA-OE2 3.42Å; K883-I887 WeakPolarHBondContact O-CD1 3.2Å; K883-I887 VanDerWaalsContact O-CG1 3.28Å; K883-I887 WeakPolarHBondContact O-CG1 3.28Å; K883-I887 PolarHBondContact O-N 3.48Å |
| 884 | S | 88.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | S880 C881 Q882 I887 L888 | S880-S884 WeakPolarHBondContact O-CB 3.43Å; S880-S884 PolarHBondContact O-N 2.83Å; S880-S884 PolarHBondContact O-OG 2.74Å; S880-S884 VanDerWaalsContact O-OG 3.07Å; C881-S884 PolarHBondContact O-N 2.81Å; Q882-S884 PolarHBondContact O-N 3.41Å; S884-I887 PolarHBondContact O-N 3.19Å; S884-L888 PolarHBondContact O-N 3.37Å; S884-L888 VanDerWaalsContact O-N 3.13Å |
| 885 | I | 88.7 | Confident | 83 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 177.9 | -60.8 | 158.2 | 0 | 0 | 0 | 110.7 | C881 Q882 I887 L888 V889 M913 I916 N917 V920 | C881-I885 WeakPolarHBondContact O-CD1 3.43Å; C881-I885 VanDerWaalsContact O-CG1 3.31Å; C881-I885 WeakPolarHBondContact O-CG1 3.31Å; C881-I885 PolarHBondContact O-N 3.43Å; C881-I885 VanDerWaalsContact O-N 3.07Å; Q882-I885 PolarHBondContact O-N 3.43Å; I885-I887 VanDerWaalsContact C-N 3.27Å; I885-I887 PolarHBondContact O-N 2.82Å; I885-L888 PolarHBondContact O-N 2.94Å; I885-L888 VanDerWaalsContact O-N 3.12Å; I885-V889 HydrophobicContact CG2-CG2 4.26Å; I885-V889 WeakPolarHBondContact O-CG2 3.05Å; I885-V889 PolarHBondContact O-N 3.4Å; I885-M913 HydrophobicContact CG2-CE 4.46Å; I885-I916 HydrophobicContact CD1-CG2 4.14Å; I885-I916 HydrophobicContact CG2-CG2 4.26Å; I885-N917 HydrophobicContact CG2-CB 3.76Å; I885-V920 HydrophobicContact CD1-CB 3.98Å; I885-V920 HydrophobicContact CD1-CG1 4.32Å; I885-V920 HydrophobicContact CD1-CG2 3.45Å; I885-V920 VanDerWaalsContact CD1-CG2 3.45Å |
| 886 | E | 87.8 | Confident | 83.5 | Confident | 45 Ų | 45 | 31.7 Ų | 31.7 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.3 | -42.9 | 174.8 | -68.2 | 169.7 | 162.4 | 0 | 0 | 111.6 | Q882 K883 M890 N917 R921 | Q882-E886 WeakPolarHBondContact CG-OE1 3.29Å; Q882-E886 PolarHBondContact NE2-OE1 2.9Å; Q882-E886 WeakPolarHBondContact O-CG 3.4Å; Q882-E886 PolarHBondContact O-N 2.8Å; K883-E886 WeakPolarHBondContact CA-OE2 3.42Å; E886-M890 PolarHBondContact O-N 3.42Å; E886-N917 VanDerWaalsContact CG-OD1 3.24Å; E886-N917 WeakPolarHBondContact CG-OD1 3.29Å; E886-R921 IonicContact OE1-CZ 2.66Å; E886-R921 IonicContact OE1-NE 3.82Å; E886-R921 PolarHBondContact OE1-NE 2.66Å; E886-R921 IonicContact OE1-NH2 2.83Å; E886-R921 PolarHBondContact OE1-NH2 3.05Å |
| 887 | I | 89.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 174.7 | -66.2 | 166.2 | 0 | 0 | 0 | 111.2 | L816 K819 V821 F824 K883 S884 I885 V889 M890 V891 | L816-I887 HydrophobicContact CD1-CB 3.87Å; L816-I887 HydrophobicContact CD1-CD1 4.42Å; L816-I887 HydrophobicContact CD1-CG2 3.68Å; K819-I887 HydrophobicContact CB-CD1 3.77Å; K819-I887 HydrophobicContact CG-CD1 3.95Å; V821-I887 HydrophobicContact CG1-CG2 4.48Å; V821-I887 HydrophobicContact CG2-CD1 3.86Å; V821-I887 HydrophobicContact CG2-CG1 3.86Å; F824-I887 HydrophobicContact CD2-CG2 4.21Å; K883-I887 WeakPolarHBondContact O-CD1 3.2Å; K883-I887 VanDerWaalsContact O-CG1 3.28Å; K883-I887 WeakPolarHBondContact O-CG1 3.28Å; K883-I887 PolarHBondContact O-N 3.48Å; S884-I887 PolarHBondContact O-N 3.19Å; I885-I887 VanDerWaalsContact C-N 3.27Å; I885-I887 PolarHBondContact O-N 2.82Å; I887-V889 VanDerWaalsContact C-N 3.34Å; I887-V889 PolarHBondContact O-N 2.83Å; I887-M890 WeakPolarHBondContact O-CB 3.41Å; I887-M890 PolarHBondContact O-N 3.18Å; I887-V891 HydrophobicContact CG2-CG2 4.3Å; I887-V891 VanDerWaalsContact O-CG2 3.29Å; I887-V891 WeakPolarHBondContact O-CG2 3.26Å; I887-V891 PolarHBondContact O-N 3.26Å |
| 888 | L | 90.7 | Very high | 83.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 179.1 | -70.8 | 179.8 | 0 | 0 | 0 | 112.6 | L816 W844 A845 Y848 S884 I885 V891 H892 M913 | L816-L888 HydrophobicContact CD1-CD2 4.17Å; L816-L888 HydrophobicContact CD1-CG 4.07Å; L816-L888 HydrophobicContact CD2-CD1 3.82Å; L816-L888 HydrophobicContact CD2-CD2 3.95Å; L816-L888 HydrophobicContact CD2-CG 3.86Å; W844-L888 HydrophobicContact CE3-CD2 4.46Å; W844-L888 HydrophobicContact CH2-CD2 4.11Å; W844-L888 HydrophobicContact CZ3-CD2 3.7Å; A845-L888 HydrophobicContact CB-CD1 4.48Å; A845-L888 HydrophobicContact CB-CD2 3.91Å; Y848-L888 HydrophobicContact CD1-CD1 3.53Å; Y848-L888 HydrophobicContact CE1-CD1 4.36Å; Y848-L888 HydrophobicContact CG-CD1 3.96Å; S884-L888 PolarHBondContact O-N 3.37Å; S884-L888 VanDerWaalsContact O-N 3.13Å; I885-L888 PolarHBondContact O-N 2.94Å; I885-L888 VanDerWaalsContact O-N 3.12Å; L888-V891 PolarHBondContact O-N 2.82Å; L888-H892 VanDerWaalsContact O-CB 3.31Å; L888-H892 WeakPolarHBondContact O-CB 3.4Å; L888-H892 PolarHBondContact O-N 3.41Å; L888-M913 HydrophobicContact CB-CE 3.82Å; L888-M913 HydrophobicContact CD1-CE 4.14Å |
| 889 | V | 87.5 | Confident | 83.5 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 172.9 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | I885 I887 V891 H892 G893 Y910 M913 V914 N917 | I885-V889 HydrophobicContact CG2-CG2 4.26Å; I885-V889 WeakPolarHBondContact O-CG2 3.05Å; I885-V889 PolarHBondContact O-N 3.4Å; I887-V889 VanDerWaalsContact C-N 3.34Å; I887-V889 PolarHBondContact O-N 2.83Å; V889-V891 PolarHBondContact O-N 3.05Å; V889-H892 PolarHBondContact O-N 3.4Å; V889-G893 PolarHBondContact O-N 2.89Å; V889-Y910 HydrophobicContact CG1-CE2 4.09Å; V889-M913 HydrophobicContact CG2-CB 4.02Å; V889-V914 HydrophobicContact CG1-CG2 3.76Å; V889-N917 HydrophobicContact CG2-CB 4.11Å |
| 890 | M | 86.9 | Confident | 83.1 | Confident | 95 Ų | 95 | 33.5 Ų | 33.5 | 47% | 0.468 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 176.2 | -173.6 | -171.2 | -60.2 | 0 | 0 | 111.7 | V821 E886 I887 H892 G893 C894 | V821-M890 HydrophobicContact CG1-CE 4.48Å; V821-M890 HydrophobicContact CG1-SD 3.78Å; E886-M890 PolarHBondContact O-N 3.42Å; I887-M890 WeakPolarHBondContact O-CB 3.41Å; I887-M890 PolarHBondContact O-N 3.18Å; M890-H892 VanDerWaalsContact C-N 3.33Å; M890-H892 PolarHBondContact O-N 2.95Å; M890-G893 PolarHBondContact O-N 3.44Å; M890-C894 PolarHBondContact O-N 3.31Å; M890-C894 PolarHBondContact O-SG 3.24Å; M890-C894 VanDerWaalsContact O-SG 3.36Å |
| 891 | V | 86.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 178.5 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | F824 L828 L841 I887 L888 V889 C894 L895 | F824-V891 HydrophobicContact CB-CG2 3.51Å; F824-V891 HydrophobicContact CG-CG2 4.08Å; L828-V891 HydrophobicContact CD1-CG1 4.09Å; L828-V891 WeakPolarHBondContact CD1-O 3.47Å; L841-V891 HydrophobicContact CD2-CG1 4.44Å; I887-V891 HydrophobicContact CG2-CG2 4.3Å; I887-V891 VanDerWaalsContact O-CG2 3.29Å; I887-V891 WeakPolarHBondContact O-CG2 3.26Å; I887-V891 PolarHBondContact O-N 3.26Å; L888-V891 PolarHBondContact O-N 2.82Å; V889-V891 PolarHBondContact O-N 3.05Å; V891-C894 WeakPolarHBondContact O-CB 3.2Å; V891-C894 PolarHBondContact O-N 2.84Å; V891-L895 PolarHBondContact O-N 3.31Å |
| 892 | H | 85.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.6 | -31.8 | -179.7 | -151.2 | -79.4 | 0 | 0 | 0 | 112.8 | L888 V889 M890 L895 I896 D906 Y910 | L888-H892 VanDerWaalsContact O-CB 3.31Å; L888-H892 WeakPolarHBondContact O-CB 3.4Å; L888-H892 PolarHBondContact O-N 3.41Å; V889-H892 PolarHBondContact O-N 3.4Å; M890-H892 VanDerWaalsContact C-N 3.33Å; M890-H892 PolarHBondContact O-N 2.95Å; H892-L895 PolarHBondContact O-N 2.87Å; H892-I896 PolarHBondContact O-N 3.16Å; H892-D906 PolarHBondContact CE1-O 2.87Å; H892-Y910 HydrophobicContact CB-CD2 4.1Å; H892-Y910 AromaticContact ND1-CD2 3.98Å |
| 893 | G | 82.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V889 M890 L895 I896 N897 | V889-G893 PolarHBondContact O-N 2.89Å; M890-G893 PolarHBondContact O-N 3.44Å; G893-L895 VanDerWaalsContact C-N 3.33Å; G893-L895 PolarHBondContact O-N 2.89Å; G893-I896 PolarHBondContact O-N 3.09Å; G893-N897 WeakPolarHBondContact O-CB 3.3Å; G893-N897 VanDerWaalsContact O-CG 3.29Å; G893-N897 PolarHBondContact O-N 2.89Å; G893-N897 PolarHBondContact O-ND2 3.21Å |
| 894 | C | 83.8 | Confident | 80.4 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 28% | 0.284 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 172.2 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | L828 M890 V891 I896 N897 A898 | L828-C894 HydrophobicContact CD1-CB 3.49Å; L828-C894 VanDerWaalsContact CD1-CB 3.49Å; M890-C894 PolarHBondContact O-N 3.31Å; M890-C894 PolarHBondContact O-SG 3.24Å; M890-C894 VanDerWaalsContact O-SG 3.36Å; V891-C894 WeakPolarHBondContact O-CB 3.2Å; V891-C894 PolarHBondContact O-N 2.84Å; C894-I896 PolarHBondContact O-N 3.1Å; C894-N897 PolarHBondContact O-N 3.37Å; C894-A898 WeakPolarHBondContact O-CB 3.37Å; C894-A898 PolarHBondContact O-N 3.45Å |
| 895 | L | 82.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 174.7 | -79 | 174.1 | 0 | 0 | 0 | 113.5 | L828 L838 L841 K842 V891 H892 G893 R900 A901 | L828-L895 HydrophobicContact CD1-CG 4.25Å; L828-L895 HydrophobicContact CD2-CD2 3.44Å; L828-L895 VanDerWaalsContact CD2-CD2 3.44Å; L828-L895 HydrophobicContact CD2-CG 3.89Å; L838-L895 HydrophobicContact CD1-CD1 4.27Å; L838-L895 HydrophobicContact CD1-CD2 3.55Å; L841-L895 HydrophobicContact CD2-CD1 4.21Å; K842-L895 HydrophobicContact CG-CD1 4.13Å; V891-L895 PolarHBondContact O-N 3.31Å; H892-L895 PolarHBondContact O-N 2.87Å; G893-L895 VanDerWaalsContact C-N 3.33Å; G893-L895 PolarHBondContact O-N 2.89Å; L895-R900 HydrophobicContact CD2-CB 3.89Å; L895-R900 WeakPolarHBondContact O-CA 3.42Å; L895-R900 PolarHBondContact O-N 3.24Å; L895-A901 HydrophobicContact CB-CB 4.26Å; L895-A901 PolarHBondContact O-N 3.19Å |
| 896 | I | 79.4 | Confident | 79.3 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -50.1 | 174.2 | -68.8 | 171.3 | 0 | 0 | 0 | 110.2 | H892 G893 C894 A898 G899 A901 K907 Y910 | H892-I896 PolarHBondContact O-N 3.16Å; G893-I896 PolarHBondContact O-N 3.09Å; C894-I896 PolarHBondContact O-N 3.1Å; I896-A898 VanDerWaalsContact C-N 3.32Å; I896-A898 PolarHBondContact O-N 3.2Å; I896-G899 PolarHBondContact O-N 2.83Å; I896-A901 HydrophobicContact CG1-CB 3.85Å; I896-K907 HydrophobicContact CD1-CG 4.47Å; I896-Y910 HydrophobicContact CD1-CD1 3.85Å; I896-Y910 HydrophobicContact CD1-CD2 4.24Å; I896-Y910 HydrophobicContact CD1-CG 3.6Å |
| 897 | N | 77.3 | Confident | 78.6 | Confident | 143 Ų | 143 | 53.3 Ų | 53.3 | 77% | 0.765 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | -177.8 | -69.4 | -20.1 | 0 | 0 | 0 | 113.2 | G893 C894 G899 | G893-N897 WeakPolarHBondContact O-CB 3.3Å; G893-N897 VanDerWaalsContact O-CG 3.29Å; G893-N897 PolarHBondContact O-N 2.89Å; G893-N897 PolarHBondContact O-ND2 3.21Å; C894-N897 PolarHBondContact O-N 3.37Å; N897-G899 PolarHBondContact O-N 3.23Å |
| 898 | A | 75.1 | Confident | 78.1 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -1.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C894 I896 R900 | C894-A898 WeakPolarHBondContact O-CB 3.37Å; C894-A898 PolarHBondContact O-N 3.45Å; I896-A898 VanDerWaalsContact C-N 3.32Å; I896-A898 PolarHBondContact O-N 3.2Å; A898-R900 HydrophobicContact CB-CG 4.26Å |
| 899 | G | 72 | Confident | 77.7 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 40.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I896 N897 F902 | I896-G899 PolarHBondContact O-N 2.83Å; N897-G899 PolarHBondContact O-N 3.23Å; G899-F902 WeakPolarHBondContact O-CE2 3.4Å; G899-F902 WeakPolarHBondContact O-CZ 3.3Å |
| 900 | R | 69.6 | Low | 77.4 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | trans | -111.6 | -5.6 | 176.4 | -64.3 | -177.2 | 176.5 | -168.2 | -6.5 | 112.7 | L828 L830 Q831 L838 L895 A898 | L828-R900 PolarHBondContact O-NH1 2.93Å; L830-R900 PolarHBondContact O-NH1 3.12Å; L830-R900 PolarHBondContact O-NH2 2.86Å; Q831-R900 PolarHBondContact O-NH2 3.45Å; L838-R900 HydrophobicContact CD2-CB 4.29Å; L895-R900 HydrophobicContact CD2-CB 3.89Å; L895-R900 WeakPolarHBondContact O-CA 3.42Å; L895-R900 PolarHBondContact O-N 3.24Å; A898-R900 HydrophobicContact CB-CG 4.26Å | ||
| 901 | A | 63 | Low | 77 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | -123.4 | 99.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L895 I896 D906 | L895-A901 HydrophobicContact CB-CB 4.26Å; L895-A901 PolarHBondContact O-N 3.19Å; I896-A901 HydrophobicContact CG1-CB 3.85Å; A901-D906 VanDerWaalsContact CA-OD2 3.25Å; A901-D906 WeakPolarHBondContact CA-OD2 3.21Å; A901-D906 HydrophobicContact CB-CB 3.85Å; A901-D906 WeakPolarHBondContact CB-OD2 3.19Å | ||
| 902 | F | 65.5 | Low | 76.8 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 63% | 0.632 | 32% | 0.315 | S | S | * | . | trans | -102.5 | -29.8 | -167.6 | -75.1 | -68.6 | 0 | 0 | 0 | 115.4 | G899 F1131 | G899-F902 WeakPolarHBondContact O-CE2 3.4Å; G899-F902 WeakPolarHBondContact O-CZ 3.3Å; F902-F1131 AromaticContact CE1-CE2 3.95Å; F902-F1131 HydrophobicContact CE1-CE2 3.95Å; F902-F1131 HydrophobicContact CE1-CZ 4.37Å; F902-F1131 AromaticContact CZ-CE2 3.69Å; F902-F1131 HydrophobicContact CZ-CE2 3.69Å; F902-F1131 HydrophobicContact CZ-CZ 4.17Å | ||
| 903 | C | 72.3 | Confident | 76.7 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -79.8 | 157.8 | -175.1 | 60.9 | 0 | 0 | 0 | 0 | 112 | E905 D906 K907 | C903-E905 PolarHBondContact O-N 3.27Å; C903-D906 PolarHBondContact O-N 3.48Å; C903-D906 PolarHBondContact SG-N 3.38Å; C903-D906 PolarHBondContact SG-OD1 2.97Å; C903-D906 PolarHBondContact SG-OD2 3.33Å; C903-K907 PolarHBondContact O-N 2.67Å |
| 904 | E | 73.3 | Confident | 76.7 | Confident | 170 Ų | 170 | 59.8 Ų | 59.8 | 79% | 0.794 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.5 | -29.4 | 175.9 | -59.5 | -173.5 | 139.5 | 0 | 0 | 111.9 | K907 A908 | E904-K907 PolarHBondContact O-N 3.22Å; E904-A908 PolarHBondContact O-N 3.01Å |
| 905 | E | 77.2 | Confident | 76.5 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 173.9 | -167.3 | -173.7 | 171 | 0 | 0 | 112.1 | C903 K907 A908 Q909 | C903-E905 PolarHBondContact O-N 3.27Å; E905-K907 VanDerWaalsContact C-N 3.28Å; E905-K907 PolarHBondContact O-N 3.16Å; E905-A908 PolarHBondContact O-N 3.25Å; E905-Q909 WeakPolarHBondContact O-CB 3.47Å; E905-Q909 WeakPolarHBondContact O-CG 3.1Å; E905-Q909 PolarHBondContact O-N 2.73Å; E905-Q909 PolarHBondContact OE1-NE2 3.45Å |
| 906 | D | 77.2 | Confident | 76.6 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 176.9 | -69.6 | -18.3 | 0 | 0 | 0 | 111.6 | K842 H892 A901 C903 Y910 | K842-D906 WeakPolarHBondContact CD-OD1 3.38Å; K842-D906 IonicContact NZ-OD1 2.7Å; K842-D906 PolarHBondContact NZ-OD1 3.37Å; K842-D906 IonicContact NZ-OD2 3.59Å; K842-D906 PolarHBondContact NZ-OD2 2.85Å; H892-D906 PolarHBondContact CE1-O 2.87Å; A901-D906 VanDerWaalsContact CA-OD2 3.25Å; A901-D906 WeakPolarHBondContact CA-OD2 3.21Å; A901-D906 HydrophobicContact CB-CB 3.85Å; A901-D906 WeakPolarHBondContact CB-OD2 3.19Å; C903-D906 PolarHBondContact O-N 3.48Å; C903-D906 PolarHBondContact SG-N 3.38Å; C903-D906 PolarHBondContact SG-OD1 2.97Å; C903-D906 PolarHBondContact SG-OD2 3.33Å; D906-Y910 PolarHBondContact O-N 3.11Å |
| 907 | K | 74.4 | Confident | 76.9 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 177.5 | -63.9 | 178.8 | -177.4 | 174.6 | 0 | 111.4 | I896 C903 E904 E905 Y910 E911 | I896-K907 HydrophobicContact CD1-CG 4.47Å; C903-K907 PolarHBondContact O-N 2.67Å; E904-K907 PolarHBondContact O-N 3.22Å; E905-K907 VanDerWaalsContact C-N 3.28Å; E905-K907 PolarHBondContact O-N 3.16Å; K907-Y910 WeakPolarHBondContact O-CB 3.39Å; K907-Y910 PolarHBondContact O-N 3.38Å; K907-E911 PolarHBondContact O-N 3.11Å |
| 908 | A | 78.1 | Confident | 77 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E904 E905 E911 A912 | E904-A908 PolarHBondContact O-N 3.01Å; E905-A908 PolarHBondContact O-N 3.25Å; A908-E911 PolarHBondContact O-N 2.96Å; A908-A912 VanDerWaalsContact O-CB 3.32Å; A908-A912 WeakPolarHBondContact O-CB 3.44Å; A908-A912 PolarHBondContact O-N 3.15Å |
| 909 | Q | 82.6 | Confident | 77.4 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 172.8 | -72.3 | 179.7 | 21.7 | 0 | 0 | 111.5 | W846 E905 A912 M913 | W846-Q909 HydrophobicContact CD2-CG 4.19Å; W846-Q909 HydrophobicContact CE3-CB 4.36Å; W846-Q909 HydrophobicContact CE3-CG 4.44Å; W846-Q909 HydrophobicContact CG-CG 4.49Å; E905-Q909 WeakPolarHBondContact O-CB 3.47Å; E905-Q909 WeakPolarHBondContact O-CG 3.1Å; E905-Q909 PolarHBondContact O-N 2.73Å; E905-Q909 PolarHBondContact OE1-NE2 3.45Å; Q909-A912 PolarHBondContact O-N 2.63Å; Q909-M913 WeakPolarHBondContact O-CB 3.49Å; Q909-M913 VanDerWaalsContact O-CG 3.27Å; Q909-M913 WeakPolarHBondContact O-CG 3.26Å; Q909-M913 PolarHBondContact O-N 2.9Å |
| 910 | Y | 81.9 | Confident | 78 | Confident | 76 Ų | 76 | 48 Ų | 48 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -51.6 | 173.6 | 176.2 | -109.9 | 0 | 0 | 0 | 112.7 | V889 H892 I896 D906 K907 A912 M913 V914 | V889-Y910 HydrophobicContact CG1-CE2 4.09Å; H892-Y910 HydrophobicContact CB-CD2 4.1Å; H892-Y910 AromaticContact ND1-CD2 3.98Å; I896-Y910 HydrophobicContact CD1-CD1 3.85Å; I896-Y910 HydrophobicContact CD1-CD2 4.24Å; I896-Y910 HydrophobicContact CD1-CG 3.6Å; D906-Y910 PolarHBondContact O-N 3.11Å; K907-Y910 WeakPolarHBondContact O-CB 3.39Å; K907-Y910 PolarHBondContact O-N 3.38Å; Y910-A912 VanDerWaalsContact C-N 3.28Å; Y910-A912 PolarHBondContact O-N 3.36Å; Y910-M913 PolarHBondContact O-N 3.46Å; Y910-M913 VanDerWaalsContact O-N 3.09Å; Y910-V914 HydrophobicContact CD2-CG2 4.48Å; Y910-V914 HydrophobicContact CE1-CG2 4.15Å; Y910-V914 HydrophobicContact CE2-CG2 4.06Å; Y910-V914 WeakPolarHBondContact O-CG2 3.46Å; Y910-V914 PolarHBondContact O-N 2.88Å |
| 911 | E | 77.5 | Confident | 78.5 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.5 | -41 | 177 | -73.4 | -174.2 | -146.3 | 0 | 0 | 111.8 | K907 A908 V914 L915 R999 A1076 | K907-E911 PolarHBondContact O-N 3.11Å; A908-E911 PolarHBondContact O-N 2.96Å; E911-V914 PolarHBondContact O-N 3.34Å; E911-L915 WeakPolarHBondContact O-CG 3.27Å; E911-L915 PolarHBondContact O-N 2.94Å; E911-R999 IonicContact OE2-NH2 3.09Å; E911-A1076 VanDerWaalsContact OE1-CB 3.3Å; E911-A1076 WeakPolarHBondContact OE1-CB 3.33Å; E911-A1076 VanDerWaalsContact OE2-CB 3.27Å; E911-A1076 WeakPolarHBondContact OE2-CB 3.49Å |
| 912 | A | 82.8 | Confident | 79.2 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W846 A908 Q909 Y910 L915 I916 | W846-A912 HydrophobicContact CH2-CB 3.59Å; W846-A912 HydrophobicContact CZ3-CB 3.58Å; A908-A912 VanDerWaalsContact O-CB 3.32Å; A908-A912 WeakPolarHBondContact O-CB 3.44Å; A908-A912 PolarHBondContact O-N 3.15Å; Q909-A912 PolarHBondContact O-N 2.63Å; Y910-A912 VanDerWaalsContact C-N 3.28Å; Y910-A912 PolarHBondContact O-N 3.36Å; A912-L915 PolarHBondContact O-N 3.22Å; A912-I916 VanDerWaalsContact O-CG1 3.24Å; A912-I916 WeakPolarHBondContact O-CG1 3.19Å; A912-I916 PolarHBondContact O-N 2.87Å |
| 913 | M | 83.1 | Confident | 80 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 174.2 | -76.1 | -66.4 | -71.6 | 0 | 0 | 112.5 | W846 I885 L888 V889 Q909 Y910 I916 N917 | W846-M913 HydrophobicContact CE3-CG 3.89Å; W846-M913 HydrophobicContact CE3-SD 3.93Å; W846-M913 HydrophobicContact CZ3-CG 4.17Å; W846-M913 HydrophobicContact CZ3-SD 4.33Å; I885-M913 HydrophobicContact CG2-CE 4.46Å; L888-M913 HydrophobicContact CB-CE 3.82Å; L888-M913 HydrophobicContact CD1-CE 4.14Å; V889-M913 HydrophobicContact CG2-CB 4.02Å; Q909-M913 WeakPolarHBondContact O-CB 3.49Å; Q909-M913 VanDerWaalsContact O-CG 3.27Å; Q909-M913 WeakPolarHBondContact O-CG 3.26Å; Q909-M913 PolarHBondContact O-N 2.9Å; Y910-M913 PolarHBondContact O-N 3.46Å; Y910-M913 VanDerWaalsContact O-N 3.09Å; M913-I916 WeakPolarHBondContact O-CB 3.48Å; M913-I916 PolarHBondContact O-N 3.24Å; M913-I916 HydrophobicContact SD-CD1 4.22Å; M913-N917 PolarHBondContact O-N 3.4Å |
| 914 | V | 81.4 | Confident | 80.1 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 171.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V889 Y910 E911 I916 N917 L918 E1039 T1040 | V889-V914 HydrophobicContact CG1-CG2 3.76Å; Y910-V914 HydrophobicContact CD2-CG2 4.48Å; Y910-V914 HydrophobicContact CE1-CG2 4.15Å; Y910-V914 HydrophobicContact CE2-CG2 4.06Å; Y910-V914 WeakPolarHBondContact O-CG2 3.46Å; Y910-V914 PolarHBondContact O-N 2.88Å; E911-V914 PolarHBondContact O-N 3.34Å; V914-I916 VanDerWaalsContact C-N 3.26Å; V914-I916 PolarHBondContact O-N 3.43Å; V914-N917 WeakPolarHBondContact O-CB 3.5Å; V914-N917 PolarHBondContact O-N 3.12Å; V914-L918 PolarHBondContact O-N 3.01Å; V914-L918 VanDerWaalsContact O-N 3.07Å; V914-E1039 WeakPolarHBondContact CG1-O 3.28Å; V914-T1040 HydrophobicContact CG1-CG2 3.92Å |
| 915 | L | 80.6 | Confident | 80.3 | Confident | 33 Ų | 33 | 30.5 Ų | 30.5 | 17% | 0.173 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -29.3 | 175.5 | -68.4 | 169.4 | 0 | 0 | 0 | 112.9 | E911 A912 Y919 L998 R999 H1002 | E911-L915 WeakPolarHBondContact O-CG 3.27Å; E911-L915 PolarHBondContact O-N 2.94Å; A912-L915 PolarHBondContact O-N 3.22Å; L915-Y919 PolarHBondContact O-N 3.42Å; L915-Y919 VanDerWaalsContact O-N 3.11Å; L915-L998 HydrophobicContact CB-CB 4Å; L915-L998 HydrophobicContact CB-CD1 3.92Å; L915-R999 HydrophobicContact CD2-CB 4.34Å; L915-R999 HydrophobicContact CD2-CG 4.49Å; L915-H1002 PolarHBondContact O-CE1 3.48Å; L915-H1002 PolarHBondContact O-NE2 2.85Å |
| 916 | I | 85 | Confident | 80.2 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.036 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -74.1 | -41.6 | 173.7 | -72.3 | 164.8 | 0 | 0 | 0 | 111.7 | W846 K853 I885 A912 M913 V914 L918 Y919 V920 L998 | W846-I916 HydrophobicContact CZ3-CD1 4.14Å; K853-I916 HydrophobicContact CB-CG2 4.11Å; K853-I916 HydrophobicContact CD-CG1 4.23Å; I885-I916 HydrophobicContact CD1-CG2 4.14Å; I885-I916 HydrophobicContact CG2-CG2 4.26Å; A912-I916 VanDerWaalsContact O-CG1 3.24Å; A912-I916 WeakPolarHBondContact O-CG1 3.19Å; A912-I916 PolarHBondContact O-N 2.87Å; M913-I916 WeakPolarHBondContact O-CB 3.48Å; M913-I916 PolarHBondContact O-N 3.24Å; M913-I916 HydrophobicContact SD-CD1 4.22Å; V914-I916 VanDerWaalsContact C-N 3.26Å; V914-I916 PolarHBondContact O-N 3.43Å; I916-L918 VanDerWaalsContact C-N 3.32Å; I916-L918 PolarHBondContact O-N 3.1Å; I916-Y919 WeakPolarHBondContact O-CB 3.27Å; I916-Y919 PolarHBondContact O-N 2.82Å; I916-V920 PolarHBondContact O-N 2.95Å; I916-V920 VanDerWaalsContact O-N 3.1Å; I916-L998 HydrophobicContact CG1-CD1 3.76Å |
| 917 | N | 84.5 | Confident | 80 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.7 | -51.2 | 173.6 | -176.2 | 30.8 | 0 | 0 | 0 | 110.5 | I885 E886 V889 M913 V914 Y919 V920 R921 E1039 | I885-N917 HydrophobicContact CG2-CB 3.76Å; E886-N917 VanDerWaalsContact CG-OD1 3.24Å; E886-N917 WeakPolarHBondContact CG-OD1 3.29Å; V889-N917 HydrophobicContact CG2-CB 4.11Å; M913-N917 PolarHBondContact O-N 3.4Å; V914-N917 WeakPolarHBondContact O-CB 3.5Å; V914-N917 PolarHBondContact O-N 3.12Å; N917-Y919 VanDerWaalsContact C-N 3.32Å; N917-Y919 PolarHBondContact O-N 3.39Å; N917-V920 PolarHBondContact O-N 3.47Å; N917-V920 VanDerWaalsContact O-N 3.15Å; N917-R921 PolarHBondContact O-N 3.28Å; N917-E1039 PolarHBondContact ND2-OE2 3.4Å |
| 918 | L | 79.3 | Confident | 79.7 | Confident | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 176.4 | 174.7 | 50.3 | 0 | 0 | 0 | 112.1 | V914 I916 V920 R921 V922 H1002 I1036 T1040 | V914-L918 PolarHBondContact O-N 3.01Å; V914-L918 VanDerWaalsContact O-N 3.07Å; I916-L918 VanDerWaalsContact C-N 3.32Å; I916-L918 PolarHBondContact O-N 3.1Å; L918-V920 VanDerWaalsContact C-N 3.32Å; L918-V920 PolarHBondContact O-N 3.46Å; L918-R921 PolarHBondContact O-N 2.99Å; L918-V922 HydrophobicContact CD1-CG2 3.7Å; L918-V922 HydrophobicContact CG-CG2 4.45Å; L918-V922 WeakPolarHBondContact O-CG2 3.21Å; L918-V922 PolarHBondContact O-N 2.94Å; L918-H1002 HydrophobicContact CD2-CB 4.08Å; L918-H1002 WeakPolarHBondContact CD2-CD2 3.27Å; L918-I1036 HydrophobicContact CD1-CB 3.63Å; L918-I1036 HydrophobicContact CD1-CD1 3.7Å; L918-I1036 HydrophobicContact CD1-CG1 3.33Å; L918-I1036 HydrophobicContact CD1-CG2 3.21Å; L918-I1036 HydrophobicContact CD2-CG2 3.97Å; L918-I1036 HydrophobicContact CG-CG2 4.26Å; L918-T1040 HydrophobicContact CD2-CG2 3.73Å |
| 919 | Y | 84.9 | Confident | 79 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.9 | -44.8 | 176.2 | 177.6 | -99.4 | 0 | 0 | 0 | 113 | K853 Q857 L915 I916 N917 V923 Y991 L992 L998 | K853-Y919 HydrophobicContact CG-CD1 3.76Å; K853-Y919 HydrophobicContact CG-CE1 3.75Å; Q857-Y919 HydrophobicContact CB-CE1 4.49Å; Q857-Y919 WeakPolarHBondContact CB-OH 3.16Å; Q857-Y919 WeakPolarHBondContact CG-OH 3.31Å; L915-Y919 PolarHBondContact O-N 3.42Å; L915-Y919 VanDerWaalsContact O-N 3.11Å; I916-Y919 WeakPolarHBondContact O-CB 3.27Å; I916-Y919 PolarHBondContact O-N 2.82Å; N917-Y919 VanDerWaalsContact C-N 3.32Å; N917-Y919 PolarHBondContact O-N 3.39Å; Y919-V923 HydrophobicContact CE1-CG2 4.26Å; Y919-V923 HydrophobicContact CE2-CG2 4.18Å; Y919-V923 WeakPolarHBondContact O-CG2 3.41Å; Y919-V923 PolarHBondContact O-N 3.26Å; Y919-Y991 WeakPolarHBondContact CA-OH 3.49Å; Y919-Y991 HydrophobicContact CD2-CD1 4.13Å; Y919-Y991 AromaticContact CD2-CE1 3.38Å; Y919-Y991 HydrophobicContact CD2-CE1 3.38Å; Y919-Y991 AromaticContact CD2-CZ 3.76Å; Y919-Y991 AromaticContact CE2-CD1 3.86Å; Y919-Y991 HydrophobicContact CE2-CD1 3.86Å; Y919-Y991 AromaticContact CE2-CE1 3.59Å; Y919-Y991 HydrophobicContact CE2-CE1 3.59Å; Y919-Y991 HydrophobicContact CG-CE1 4.34Å; Y919-L992 WeakPolarHBondContact OH-CD2 3.49Å; Y919-L998 HydrophobicContact CD2-CD2 3.74Å; Y919-L998 HydrophobicContact CE2-CD2 4.49Å; Y919-L998 HydrophobicContact CG-CD2 3.96Å |
| 920 | V | 83.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.1 | -38.3 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 112 | V856 C881 Q882 I885 I916 N917 L918 V923 A924 | V856-V920 HydrophobicContact CB-CG2 4.06Å; V856-V920 HydrophobicContact CG1-CB 4.46Å; V856-V920 HydrophobicContact CG1-CG1 4.3Å; V856-V920 HydrophobicContact CG1-CG2 4.07Å; V856-V920 HydrophobicContact CG2-CB 4.5Å; V856-V920 HydrophobicContact CG2-CG1 3.91Å; V856-V920 HydrophobicContact CG2-CG2 3.85Å; C881-V920 HydrophobicContact CB-CG1 4.49Å; Q882-V920 HydrophobicContact CB-CG1 3.96Å; I885-V920 HydrophobicContact CD1-CB 3.98Å; I885-V920 HydrophobicContact CD1-CG1 4.32Å; I885-V920 HydrophobicContact CD1-CG2 3.45Å; I885-V920 VanDerWaalsContact CD1-CG2 3.45Å; I916-V920 PolarHBondContact O-N 2.95Å; I916-V920 VanDerWaalsContact O-N 3.1Å; N917-V920 PolarHBondContact O-N 3.47Å; N917-V920 VanDerWaalsContact O-N 3.15Å; L918-V920 VanDerWaalsContact C-N 3.32Å; L918-V920 PolarHBondContact O-N 3.46Å; V920-V923 PolarHBondContact O-N 3.05Å; V920-A924 VanDerWaalsContact O-CB 3.27Å; V920-A924 WeakPolarHBondContact O-CB 3.41Å; V920-A924 PolarHBondContact O-N 3.35Å |
| 921 | R | 80.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 26 Ų | 26 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 173 | -74.5 | -174.2 | 173.9 | 177.7 | 8.1 | 112.3 | Q882 E886 N917 L918 A924 W925 Q1035 E1039 | Q882-R921 HydrophobicContact CG-CG 3.91Å; E886-R921 IonicContact OE1-CZ 2.66Å; E886-R921 IonicContact OE1-NE 3.82Å; E886-R921 PolarHBondContact OE1-NE 2.66Å; E886-R921 IonicContact OE1-NH2 2.83Å; E886-R921 PolarHBondContact OE1-NH2 3.05Å; N917-R921 PolarHBondContact O-N 3.28Å; L918-R921 PolarHBondContact O-N 2.99Å; R921-A924 PolarHBondContact O-N 2.75Å; R921-W925 WeakPolarHBondContact O-CB 3.32Å; R921-W925 PolarHBondContact O-N 2.92Å; R921-Q1035 WeakPolarHBondContact CD-O 3.24Å; R921-Q1035 PolarHBondContact NH1-O 3.09Å; R921-E1039 IonicContact CZ-OE1 2.79Å; R921-E1039 IonicContact CZ-OE2 3.2Å; R921-E1039 IonicContact NH1-OE1 2.7Å; R921-E1039 PolarHBondContact NH1-OE1 3Å; R921-E1039 IonicContact NH1-OE2 3.56Å; R921-E1039 PolarHBondContact NH1-OE2 2.91Å; R921-E1039 VanDerWaalsContact NH1-OE2 3.11Å; R921-E1039 IonicContact NH2-OE1 2.74Å; R921-E1039 PolarHBondContact NH2-OE1 3.03Å; R921-E1039 IonicContact NH2-OE2 2.74Å; R921-E1039 PolarHBondContact NH2-OE2 2.85Å |
| 922 | V | 78 | Confident | 74.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L918 A924 W925 F926 Y991 V1005 F1032 I1036 | L918-V922 HydrophobicContact CD1-CG2 3.7Å; L918-V922 HydrophobicContact CG-CG2 4.45Å; L918-V922 WeakPolarHBondContact O-CG2 3.21Å; L918-V922 PolarHBondContact O-N 2.94Å; V922-A924 PolarHBondContact O-N 2.72Å; V922-W925 PolarHBondContact O-N 3.03Å; V922-F926 HydrophobicContact CG1-CD2 3.52Å; V922-F926 HydrophobicContact CG1-CE2 3.36Å; V922-F926 WeakPolarHBondContact O-CD2 3.5Å; V922-F926 PolarHBondContact O-N 3.45Å; V922-Y991 HydrophobicContact CB-CE1 3.82Å; V922-Y991 WeakPolarHBondContact CB-OH 3.43Å; V922-Y991 HydrophobicContact CG1-CD1 4.04Å; V922-Y991 HydrophobicContact CG1-CE1 3.42Å; V922-Y991 VanDerWaalsContact CG1-CE1 3.42Å; V922-Y991 HydrophobicContact CG1-CE2 4.03Å; V922-Y991 VanDerWaalsContact CG1-CZ 3.4Å; V922-V1005 HydrophobicContact CG1-CG1 4.45Å; V922-F1032 HydrophobicContact CG2-CE2 4.33Å; V922-F1032 HydrophobicContact CG2-CZ 4.43Å; V922-I1036 HydrophobicContact CG2-CD1 3.46Å; V922-I1036 VanDerWaalsContact CG2-CD1 3.46Å; V922-I1036 HydrophobicContact CG2-CG1 4.49Å |
| 923 | V | 80.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | V856 A860 L878 Y919 V920 W925 F926 L927 L988 Y991 L992 | V856-V923 HydrophobicContact CG1-CB 3.81Å; V856-V923 HydrophobicContact CG1-CG1 3.6Å; V856-V923 HydrophobicContact CG1-CG2 4.29Å; A860-V923 HydrophobicContact CB-CG1 3.67Å; L878-V923 HydrophobicContact CD2-CG1 4.44Å; Y919-V923 HydrophobicContact CE1-CG2 4.26Å; Y919-V923 HydrophobicContact CE2-CG2 4.18Å; Y919-V923 WeakPolarHBondContact O-CG2 3.41Å; Y919-V923 PolarHBondContact O-N 3.26Å; V920-V923 PolarHBondContact O-N 3.05Å; V923-W925 VanDerWaalsContact C-N 3.34Å; V923-W925 PolarHBondContact O-N 3.13Å; V923-F926 PolarHBondContact O-N 3.2Å; V923-L927 HydrophobicContact CG1-CD1 3.81Å; V923-L927 HydrophobicContact CG1-CG 4.42Å; V923-L927 WeakPolarHBondContact O-CG 3.28Å; V923-L927 PolarHBondContact O-N 3.22Å; V923-L988 HydrophobicContact CG2-CD1 4.36Å; V923-Y991 HydrophobicContact CG2-CD1 4.06Å; V923-Y991 HydrophobicContact CG2-CE1 3.93Å; V923-L992 HydrophobicContact CG2-CD2 4.04Å |
| 924 | A | 76.3 | Confident | 71.6 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V920 R921 V922 R928 | V920-A924 VanDerWaalsContact O-CB 3.27Å; V920-A924 WeakPolarHBondContact O-CB 3.41Å; V920-A924 PolarHBondContact O-N 3.35Å; R921-A924 PolarHBondContact O-N 2.75Å; V922-A924 PolarHBondContact O-N 2.72Å; A924-R928 WeakPolarHBondContact O-CB 3.45Å; A924-R928 WeakPolarHBondContact O-CD 3.46Å; A924-R928 WeakPolarHBondContact O-CG 3.26Å; A924-R928 PolarHBondContact O-N 3.36Å; A924-R928 VanDerWaalsContact O-N 3.1Å |
| 925 | W | 75.9 | Confident | 69.9 | Low | 32 Ų | 32 | 34.5 Ų | 34.5 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 171.9 | 170 | 87.9 | 0 | 0 | 0 | 112 | R921 V922 V923 L927 R928 Q929 L933 L984 L1009 L1028 | R921-W925 WeakPolarHBondContact O-CB 3.32Å; R921-W925 PolarHBondContact O-N 2.92Å; V922-W925 PolarHBondContact O-N 3.03Å; V923-W925 VanDerWaalsContact C-N 3.34Å; V923-W925 PolarHBondContact O-N 3.13Å; W925-L927 VanDerWaalsContact C-N 3.29Å; W925-L927 PolarHBondContact O-N 2.88Å; W925-R928 PolarHBondContact O-N 3.2Å; W925-Q929 HydrophobicContact CZ2-CB 4.46Å; W925-Q929 WeakPolarHBondContact O-CB 3.45Å; W925-Q929 PolarHBondContact O-N 3.11Å; W925-Q929 VanDerWaalsContact O-N 3.12Å; W925-L933 HydrophobicContact CH2-CD2 3.97Å; W925-L933 HydrophobicContact CZ2-CD1 4.36Å; W925-L933 HydrophobicContact CZ2-CD2 3.71Å; W925-L984 HydrophobicContact CH2-CD1 3.93Å; W925-L984 HydrophobicContact CZ3-CD1 4.2Å; W925-L1009 HydrophobicContact CH2-CD2 4.45Å; W925-L1028 HydrophobicContact CH2-CD2 4.4Å; W925-L1028 HydrophobicContact CZ2-CD1 3.83Å; W925-L1028 HydrophobicContact CZ2-CD2 3.82Å; W925-L1028 HydrophobicContact CZ2-CG 4.2Å |
| 926 | F | 75.1 | Confident | 68.1 | Low | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.5 | -47.2 | 179.2 | -94.4 | -65.8 | 0 | 0 | 0 | 111.7 | V922 V923 Q930 L984 L987 L988 Y991 V1005 | V922-F926 HydrophobicContact CG1-CD2 3.52Å; V922-F926 HydrophobicContact CG1-CE2 3.36Å; V922-F926 WeakPolarHBondContact O-CD2 3.5Å; V922-F926 PolarHBondContact O-N 3.45Å; V923-F926 PolarHBondContact O-N 3.2Å; F926-Q930 WeakPolarHBondContact O-CG 3.43Å; F926-L984 HydrophobicContact CD1-CD1 3.69Å; F926-L984 HydrophobicContact CD1-CD2 4.22Å; F926-L984 HydrophobicContact CD1-CG 3.69Å; F926-L984 HydrophobicContact CE1-CD1 3.53Å; F926-L984 HydrophobicContact CE1-CG 3.85Å; F926-L987 HydrophobicContact CE1-CB 4.38Å; F926-L987 HydrophobicContact CE1-CD2 3.99Å; F926-L987 HydrophobicContact CE1-CG 4.17Å; F926-L987 HydrophobicContact CZ-CB 4.41Å; F926-L987 HydrophobicContact CZ-CD2 3.73Å; F926-L987 HydrophobicContact CZ-CG 3.77Å; F926-L988 HydrophobicContact CB-CD1 4.09Å; F926-L988 HydrophobicContact CB-CD2 4.22Å; F926-L988 HydrophobicContact CD1-CB 4.24Å; F926-L988 HydrophobicContact CD2-CD1 3.77Å; F926-L988 HydrophobicContact CE1-CB 4.43Å; F926-L988 HydrophobicContact CE2-CD1 4.35Å; F926-L988 HydrophobicContact CG-CB 4.4Å; F926-L988 HydrophobicContact CG-CD1 3.95Å; F926-Y991 HydrophobicContact CE2-CD1 4.41Å; F926-Y991 HydrophobicContact CE2-CG 4.45Å; F926-V1005 HydrophobicContact CE2-CG1 4.25Å; F926-V1005 HydrophobicContact CE2-CG2 4.05Å; F926-V1005 HydrophobicContact CZ-CG1 4.12Å; F926-V1005 HydrophobicContact CZ-CG2 4.06Å |
| 927 | L | 72.8 | Confident | 66.2 | Low | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | -179.8 | -65.4 | 169.7 | 0 | 0 | 0 | 111 | I859 A860 H863 I870 L878 V923 W925 Q929 L988 | I859-L927 HydrophobicContact CG2-CD1 4.41Å; A860-L927 HydrophobicContact CB-CD1 4.36Å; H863-L927 HydrophobicContact CB-CD2 4.15Å; H863-L927 VanDerWaalsContact CD2-CD2 3.43Å; H863-L927 WeakPolarHBondContact CD2-CD2 3.38Å; I870-L927 HydrophobicContact CD1-CB 3.87Å; I870-L927 WeakPolarHBondContact CD1-O 3.23Å; L878-L927 HydrophobicContact CD1-CD1 3.48Å; L878-L927 VanDerWaalsContact CD1-CD1 3.48Å; L878-L927 HydrophobicContact CD2-CD1 4.09Å; L878-L927 HydrophobicContact CG-CD1 4.45Å; V923-L927 HydrophobicContact CG1-CD1 3.81Å; V923-L927 HydrophobicContact CG1-CG 4.42Å; V923-L927 WeakPolarHBondContact O-CG 3.28Å; V923-L927 PolarHBondContact O-N 3.22Å; W925-L927 VanDerWaalsContact C-N 3.29Å; W925-L927 PolarHBondContact O-N 2.88Å; L927-Q929 PolarHBondContact O-N 3.46Å; L927-Q929 VanDerWaalsContact O-N 3.16Å; L927-L988 HydrophobicContact CD2-CD2 4.32Å |
| 928 | R | 68.5 | Low | 64.2 | Low | 105 Ų | 105 | 38.2 Ų | 38.2 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.2 | -28.8 | 178.2 | -79.1 | 172 | 172.9 | -173.4 | -3.4 | 114.8 | H875 A924 W925 | H875-R928 WeakPolarHBondContact CE1-CG 3.37Å; H875-R928 PolarHBondContact CE1-NE 2.81Å; H875-R928 PolarHBondContact NE2-NH2 3.29Å; A924-R928 WeakPolarHBondContact O-CB 3.45Å; A924-R928 WeakPolarHBondContact O-CD 3.46Å; A924-R928 WeakPolarHBondContact O-CG 3.26Å; A924-R928 PolarHBondContact O-N 3.36Å; A924-R928 VanDerWaalsContact O-N 3.1Å; W925-R928 PolarHBondContact O-N 3.2Å |
| 929 | Q | 63.3 | Low | 62.4 | Low | 56 Ų | 56 | 42.3 Ų | 42.3 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 6.1 | -166 | -68.1 | -65.5 | -10.8 | 0 | 0 | 115.5 | W925 L927 S931 Q932 L933 | W925-Q929 HydrophobicContact CZ2-CB 4.46Å; W925-Q929 WeakPolarHBondContact O-CB 3.45Å; W925-Q929 PolarHBondContact O-N 3.11Å; W925-Q929 VanDerWaalsContact O-N 3.12Å; L927-Q929 PolarHBondContact O-N 3.46Å; L927-Q929 VanDerWaalsContact O-N 3.16Å; Q929-S931 PolarHBondContact O-N 3.25Å; Q929-S931 VanDerWaalsContact O-N 3.1Å; Q929-Q932 PolarHBondContact O-N 2.88Å; Q929-L933 HydrophobicContact CB-CD1 3.99Å; Q929-L933 HydrophobicContact CG-CD1 4.42Å; Q929-L933 PolarHBondContact O-N 3.07Å |
| 930 | Q | 56.2 | Low | 60.3 | Low | 42 Ų | 42 | 44.7 Ų | 44.7 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.6 | -174.1 | -64.5 | -161.6 | -10 | 0 | 0 | 114.5 | F926 L984 | F926-Q930 WeakPolarHBondContact O-CG 3.43Å; Q930-L984 HydrophobicContact CG-CD2 4.22Å |
| 931 | S | 50 | Low | 58 | Low | 90 Ų | 90 | 49.2 Ų | 49.2 | 63% | 0.629 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -26.5 | -177 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | Q929 A935 | Q929-S931 PolarHBondContact O-N 3.25Å; Q929-S931 VanDerWaalsContact O-N 3.1Å; S931-A935 WeakPolarHBondContact O-CB 3.47Å |
| 932 | Q | 50.1 | Low | 56 | Low | 137 Ų | 137 | 54.9 Ų | 54.9 | 64% | 0.64 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -44.9 | -169.4 | -62.8 | -164.4 | 8.6 | 0 | 0 | 113.7 | Q929 | Q929-Q932 PolarHBondContact O-N 2.88Š|
| 933 | L | 49.1 | Very low | 54 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -50 | -172.9 | -98.6 | 78.2 | 0 | 0 | 0 | 113.3 | W925 Q929 S936 I937 L1028 | W925-L933 HydrophobicContact CH2-CD2 3.97Å; W925-L933 HydrophobicContact CZ2-CD1 4.36Å; W925-L933 HydrophobicContact CZ2-CD2 3.71Å; Q929-L933 HydrophobicContact CB-CD1 3.99Å; Q929-L933 HydrophobicContact CG-CD1 4.42Å; Q929-L933 PolarHBondContact O-N 3.07Å; L933-S936 PolarHBondContact O-OG 2.97Å; L933-S936 VanDerWaalsContact O-OG 3.14Å; L933-I937 WeakPolarHBondContact O-CD1 3.5Å; L933-I937 VanDerWaalsContact O-CG1 3.27Å; L933-I937 WeakPolarHBondContact O-CG1 3.28Å; L933-I937 PolarHBondContact O-N 3.45Å; L933-L1028 HydrophobicContact CD1-CD1 3.77Å; L933-L1028 HydrophobicContact CD2-CD1 3.97Å; L933-L1028 HydrophobicContact CD2-CD2 3.77Å; L933-L1028 HydrophobicContact CD2-CG 4.5Å; L933-L1028 HydrophobicContact CG-CD1 4.31Å |
| 934 | F | 47.2 | Very low | 52.1 | Low | 63 Ų | 63 | 67.2 Ų | 67.2 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -84.3 | -13.3 | -170.2 | -86.9 | -110.2 | 0 | 0 | 0 | 113.6 | I937 G938 L984 | F934-I937 HydrophobicContact CE2-CD1 4.45Å; F934-G938 PolarHBondContact O-N 3.19Å; F934-G938 VanDerWaalsContact O-N 3.14Å; F934-L984 HydrophobicContact CD2-CB 3.65Å; F934-L984 HydrophobicContact CD2-CD1 4.13Å; F934-L984 HydrophobicContact CD2-CG 4.32Å; F934-L984 HydrophobicContact CE2-CB 3.63Å; F934-L984 HydrophobicContact CE2-CD1 3.7Å; F934-L984 HydrophobicContact CE2-CG 4.23Å; F934-L984 HydrophobicContact CG-CB 4.18Å; F934-L984 HydrophobicContact CZ-CB 4.11Å |
| 935 | A | 45.2 | Very low | 50 | Low | 83 Ų | 83 | 72.3 Ų | 72.3 | 69% | 0.686 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -32.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S931 | S931-A935 WeakPolarHBondContact O-CB 3.47Å |
| 936 | S | 44.3 | Very low | 48.5 | Very low | 40 Ų | 40 | 78.3 Ų | 78.3 | 28% | 0.28 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -88.3 | -36.2 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L933 G938 S939 | L933-S936 PolarHBondContact O-OG 2.97Å; L933-S936 VanDerWaalsContact O-OG 3.14Å; S936-G938 VanDerWaalsContact C-N 3.3Å; S936-G938 PolarHBondContact O-N 2.79Å; S936-S939 PolarHBondContact O-OG 3.03Å |
| 937 | I | 44.2 | Very low | 46.4 | Very low | 33 Ų | 33 | 80.5 Ų | 80.5 | 17% | 0.169 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.1 | -19.3 | -177.6 | -64.9 | 168.7 | 0 | 0 | 0 | 112.8 | L933 F934 S939 C940 M1025 | L933-I937 WeakPolarHBondContact O-CD1 3.5Å; L933-I937 VanDerWaalsContact O-CG1 3.27Å; L933-I937 WeakPolarHBondContact O-CG1 3.28Å; L933-I937 PolarHBondContact O-N 3.45Å; F934-I937 HydrophobicContact CE2-CD1 4.45Å; I937-S939 PolarHBondContact O-N 2.8Å; I937-C940 PolarHBondContact O-N 2.79Å; I937-M1025 HydrophobicContact CD1-SD 3.88Å |
| 938 | G | 42.5 | Very low | 44.5 | Very low | 48 Ų | 48 | 85.4 Ų | 85.4 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -58.7 | -16.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | F934 S936 S941 | F934-G938 PolarHBondContact O-N 3.19Å; F934-G938 VanDerWaalsContact O-N 3.14Å; S936-G938 VanDerWaalsContact C-N 3.3Å; S936-G938 PolarHBondContact O-N 2.79Å; G938-S941 PolarHBondContact O-OG 3.14Å |
| 939 | S | 41.9 | Very low | 42.7 | Very low | 93 Ų | 93 | 85.8 Ų | 85.8 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -82.3 | -21.4 | 172.3 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | S936 I937 S941 | S936-S939 PolarHBondContact O-OG 3.03Å; I937-S939 PolarHBondContact O-N 2.8Å; S939-S941 PolarHBondContact O-N 2.7Å |
| 940 | C | 40.3 | Very low | 41.2 | Very low | 50 Ų | 50 | 88.2 Ų | 88.2 | 34% | 0.338 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -86.5 | 13.8 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | I937 H942 | I937-C940 PolarHBondContact O-N 2.79Å; C940-H942 PolarHBondContact O-N 3.46Å |
| 941 | S | 36.8 | Very low | 40.1 | Very low | 96 Ų | 96 | 92.8 Ų | 92.8 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | trans | -75.8 | 51.5 | 168.9 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | G938 S939 K943 | G938-S941 PolarHBondContact O-OG 3.14Å; S939-S941 PolarHBondContact O-N 2.7Å; S941-K943 PolarHBondContact O-N 3.27Å | ||
| 942 | H | 37.6 | Very low | 39.4 | Very low | 155 Ų | 155 | 99 Ų | 99 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | trans | -58.6 | 127.9 | 160.2 | -100.2 | -90.8 | 0 | 0 | 0 | 107.8 | C940 V944 | C940-H942 PolarHBondContact O-N 3.46Å; H942-V944 PolarHBondContact O-N 3.48Å | ||
| 943 | K | 35.6 | Very low | 39 | Very low | 157 Ų | 157 | 99.8 Ų | 99.8 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | trans | -61.8 | 103.3 | 176.8 | -72.6 | 167.6 | 133.8 | -113.4 | 0 | 109.4 | S941 D945 | S941-K943 PolarHBondContact O-N 3.27Å; K943-D945 HydrophobicContact CB-CB 4.46Å; K943-D945 IonicContact NZ-OD1 2.72Å; K943-D945 PolarHBondContact NZ-OD1 3.39Å; K943-D945 IonicContact NZ-OD2 2.98Å; K943-D945 PolarHBondContact NZ-OD2 3.06Å; K943-D945 PolarHBondContact O-N 3.36Å | ||
| 944 | V | 40.2 | Very low | 38.8 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | trans | -68.9 | 79.4 | 141.8 | -174.7 | 0 | 0 | 0 | 0 | 105.5 | H942 Y946 | H942-V944 PolarHBondContact O-N 3.48Å; V944-Y946 VanDerWaalsContact C-N 3.28Å; V944-Y946 HydrophobicContact CB-CE2 4.2Å; V944-Y946 HydrophobicContact CG1-CD1 4.4Å; V944-Y946 HydrophobicContact CG1-CD2 3.93Å; V944-Y946 HydrophobicContact CG1-CE1 4.13Å; V944-Y946 HydrophobicContact CG1-CE2 3.64Å; V944-Y946 HydrophobicContact CG1-CG 4.31Å; V944-Y946 WeakPolarHBondContact O-CD2 3.49Å; V944-Y946 PolarHBondContact O-N 3.41Å | ||
| 945 | D | 33 | Very low | 39 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | trans | -64.3 | 98 | 167.3 | -92.2 | -29.7 | 0 | 0 | 0 | 105.8 | K943 G947 | K943-D945 HydrophobicContact CB-CB 4.46Å; K943-D945 IonicContact NZ-OD1 2.72Å; K943-D945 PolarHBondContact NZ-OD1 3.39Å; K943-D945 IonicContact NZ-OD2 2.98Å; K943-D945 PolarHBondContact NZ-OD2 3.06Å; K943-D945 PolarHBondContact O-N 3.36Å; D945-G947 PolarHBondContact O-N 3.35Å | ||
| 946 | Y | 44.3 | Very low | 39.5 | Very low | 158 Ų | 158 | 102.5 Ų | 102.5 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | trans | -67 | 62.6 | 165.5 | -72.2 | -81.2 | 0 | 0 | 0 | 109.1 | V944 A948 | V944-Y946 VanDerWaalsContact C-N 3.28Å; V944-Y946 HydrophobicContact CB-CE2 4.2Å; V944-Y946 HydrophobicContact CG1-CD1 4.4Å; V944-Y946 HydrophobicContact CG1-CD2 3.93Å; V944-Y946 HydrophobicContact CG1-CE1 4.13Å; V944-Y946 HydrophobicContact CG1-CE2 3.64Å; V944-Y946 HydrophobicContact CG1-CG 4.31Å; V944-Y946 WeakPolarHBondContact O-CD2 3.49Å; V944-Y946 PolarHBondContact O-N 3.41Å; Y946-A948 PolarHBondContact O-N 2.96Å | ||
| 947 | G | 32.1 | Very low | 40.6 | Very low | 46 Ų | 46 | 104.4 Ų | 104.4 | 47% | 0.474 | 61% | 0.612 | S | S | . | * | trans | -63.4 | 128.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D945 S949 | D945-G947 PolarHBondContact O-N 3.35Å; G947-S949 PolarHBondContact O-N 3.06Å | ||
| 948 | A | 32.2 | Very low | 42 | Very low | 107 Ų | 107 | 102.8 Ų | 102.8 | 88% | 0.884 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -74.5 | 39.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y946 | Y946-A948 PolarHBondContact O-N 2.96Š|
| 949 | S | 30.5 | Very low | 43.4 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -147.3 | 28.2 | -168.5 | 65.8 | 0 | 0 | 0 | 0 | 116 | G947 | G947-S949 PolarHBondContact O-N 3.06Š|
| 950 | S | 31.5 | Very low | 44.9 | Very low | 107 Ų | 107 | 102.9 Ų | 102.9 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | trans | -150 | 44.5 | 168.3 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | R952 | S950-R952 PolarHBondContact O-N 3.38Š| ||
| 951 | V | 34.2 | Very low | 46.5 | Very low | 139 Ų | 139 | 103.1 Ų | 103.1 | 84% | 0.842 | 57% | 0.571 | S | S | * | * | trans | -80.1 | 88.1 | 179.4 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 952 | R | 33.6 | Very low | 48.4 | Very low | 219 Ų | 219 | 98.6 Ų | 98.6 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -162.7 | 119 | 149.4 | -104.7 | 162.6 | -152.3 | -143.3 | 2.3 | 109.7 | S950 | S950-R952 PolarHBondContact O-N 3.38Š|
| 953 | D | 42.7 | Very low | 50.3 | Low | 154 Ų | 154 | 92.6 Ų | 92.6 | 82% | 0.824 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 59.2 | 77.1 | 156 | -43.7 | -35.3 | 0 | 0 | 0 | 117.7 | ||
| 954 | S | 44.2 | Very low | 52.3 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | trans | -150.8 | 158.4 | 160.1 | -103.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 955 | P | 52 | Low | 54 | Low | 53 Ų | 53 | 84.6 Ų | 84.6 | 34% | 0.344 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -79.4 | 126.2 | -163.5 | 32.2 | -36 | 0 | 0 | 0 | 112.6 | I1054 D1055 | P955-I1054 WeakPolarHBondContact CB-O 3.45Å; P955-D1055 CarbonylContact C-O 3.57Å; P955-D1055 WeakPolarHBondContact CB-O 3.28Å |
| 956 | V | 56.6 | Low | 55.9 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 34% | 0.339 | 44% | 0.444 | S | S | . | . | trans | -162.2 | 55.9 | 158.6 | -168.9 | 0 | 0 | 0 | 0 | 105.8 | A959 R960 | V956-A959 HydrophobicContact CG1-CB 3.65Å; V956-R960 WeakPolarHBondContact O-CB 3.36Å; V956-R960 PolarHBondContact O-N 2.97Å | ||
| 957 | L | 67 | Low | 57.3 | Low | 79 Ų | 79 | 75.6 Ų | 75.6 | 41% | 0.414 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.3 | -51.8 | -169.4 | -93.5 | 162 | 0 | 0 | 0 | 111.8 | K961 I1054 D1055 Y1090 | L957-K961 WeakPolarHBondContact O-CB 3.25Å; L957-K961 WeakPolarHBondContact O-CG 3.42Å; L957-K961 PolarHBondContact O-N 3.39Å; L957-K961 VanDerWaalsContact O-N 3.13Å; L957-I1054 HydrophobicContact CB-CG2 3.91Å; L957-I1054 HydrophobicContact CD1-CG2 3.7Å; L957-I1054 HydrophobicContact CG-CG2 4.44Å; L957-D1055 WeakPolarHBondContact CA-OD1 3.42Å; L957-D1055 VanDerWaalsContact N-CG 3.28Å; L957-D1055 PolarHBondContact N-OD1 3.11Å; L957-D1055 PolarHBondContact N-OD2 2.73Å; L957-Y1090 HydrophobicContact CB-CE1 4.29Å |
| 958 | F | 73 | Confident | 59.3 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.8 | -54.5 | 179.5 | 174.8 | -102.4 | 0 | 0 | 0 | 111.2 | R960 K961 F962 F979 F1003 Y1007 D1055 F1084 F1088 Y1090 | F958-R960 VanDerWaalsContact C-N 3.3Å; F958-R960 PolarHBondContact O-N 2.74Å; F958-K961 CarbonylContact O-C 3.03Å; F958-K961 PolarHBondContact O-N 2.97Å; F958-F962 HydrophobicContact CE1-CB 4.13Å; F958-F962 HydrophobicContact CE1-CD2 4.38Å; F958-F962 HydrophobicContact CE1-CG 4.26Å; F958-F962 HydrophobicContact CE2-CB 4.21Å; F958-F962 AromaticContact CE2-CD2 3.89Å; F958-F962 HydrophobicContact CE2-CD2 3.89Å; F958-F962 HydrophobicContact CE2-CG 4.38Å; F958-F962 HydrophobicContact CZ-CB 3.87Å; F958-F962 AromaticContact CZ-CD2 3.47Å; F958-F962 HydrophobicContact CZ-CD2 3.47Å; F958-F962 VanDerWaalsContact CZ-CD2 3.47Å; F958-F962 HydrophobicContact CZ-CE2 4.2Å; F958-F962 AromaticContact CZ-CG 3.77Å; F958-F962 HydrophobicContact CZ-CG 3.77Å; F958-F962 WeakPolarHBondContact O-CB 3.41Å; F958-F962 PolarHBondContact O-N 2.83Å; F958-F979 HydrophobicContact CD1-CE1 4.3Å; F958-F979 HydrophobicContact CE1-CD1 4.49Å; F958-F979 AromaticContact CE1-CE1 3.7Å; F958-F979 HydrophobicContact CE1-CE1 3.7Å; F958-F979 HydrophobicContact CE1-CZ 4.23Å; F958-F1003 HydrophobicContact CD1-CE1 4.3Å; F958-F1003 HydrophobicContact CD2-CE1 4.33Å; F958-F1003 HydrophobicContact CE1-CD1 4.25Å; F958-F1003 AromaticContact CE1-CE1 3.74Å; F958-F1003 HydrophobicContact CE1-CE1 3.74Å; F958-F1003 HydrophobicContact CE2-CD1 4.3Å; F958-F1003 AromaticContact CE2-CE1 3.79Å; F958-F1003 HydrophobicContact CE2-CE1 3.79Å; F958-F1003 AromaticContact CZ-CD1 3.76Å; F958-F1003 HydrophobicContact CZ-CD1 3.76Å; F958-F1003 AromaticContact CZ-CE1 3.47Å; F958-F1003 HydrophobicContact CZ-CE1 3.47Å; F958-F1003 VanDerWaalsContact CZ-CE1 3.47Å; F958-Y1007 AromaticContact CD1-CD2 3.66Å; F958-Y1007 HydrophobicContact CD1-CD2 3.66Å; F958-Y1007 AromaticContact CD1-CE2 3.52Å; F958-Y1007 HydrophobicContact CD1-CE2 3.52Å; F958-Y1007 HydrophobicContact CD1-CG 4.26Å; F958-Y1007 AromaticContact CE1-CD2 3.89Å; F958-Y1007 HydrophobicContact CE1-CD2 3.89Å; F958-Y1007 HydrophobicContact CE1-CE2 4.2Å; F958-Y1007 HydrophobicContact CE1-CG 4.11Å; F958-Y1007 HydrophobicContact CG-CE2 4.4Å; F958-D1055 VanDerWaalsContact N-CG 3.33Å; F958-D1055 PolarHBondContact N-OD1 2.72Å; F958-D1055 PolarHBondContact N-OD2 2.82Å; F958-D1055 VanDerWaalsContact N-OD2 3.08Å; F958-F1084 HydrophobicContact CE2-CE1 4.1Å; F958-F1084 AromaticContact CE2-CZ 3.84Å; F958-F1084 HydrophobicContact CE2-CZ 3.84Å; F958-F1088 HydrophobicContact CE2-CE2 4.39Å; F958-Y1090 VanDerWaalsContact CA-OH 3.23Å; F958-Y1090 WeakPolarHBondContact CA-OH 3.36Å; F958-Y1090 PolarHBondContact N-OH 3.17Å; F958-Y1090 VanDerWaalsContact N-OH 3.16Å |
| 959 | A | 72.9 | Confident | 60.9 | Low | 2 Ų | 2 | 75.3 Ų | 75.3 | 2% | 0.017 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67 | -29.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V956 T963 F979 Y1007 D1055 | V956-A959 HydrophobicContact CG1-CB 3.65Å; A959-T963 WeakPolarHBondContact O-CB 3.24Å; A959-T963 PolarHBondContact O-N 2.84Å; A959-T963 PolarHBondContact O-OG1 2.86Å; A959-F979 HydrophobicContact CB-CD1 3.79Å; A959-F979 HydrophobicContact CB-CE1 4.25Å; A959-Y1007 HydrophobicContact CB-CE1 4.42Å; A959-D1055 PolarHBondContact N-OD2 2.67Å |
| 960 | R | 72.9 | Confident | 62.6 | Low | 141 Ų | 141 | 70.3 Ų | 70.3 | 53% | 0.532 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.5 | -46.7 | 168.1 | -163.1 | -170.1 | 84.3 | -152 | 1.1 | 111.3 | V956 F958 F962 T963 E964 | V956-R960 WeakPolarHBondContact O-CB 3.36Å; V956-R960 PolarHBondContact O-N 2.97Å; F958-R960 VanDerWaalsContact C-N 3.3Å; F958-R960 PolarHBondContact O-N 2.74Å; R960-F962 VanDerWaalsContact C-N 3.29Å; R960-F962 PolarHBondContact O-N 3.44Å; R960-T963 WeakPolarHBondContact O-CB 3.47Å; R960-T963 PolarHBondContact O-N 3.28Å; R960-T963 VanDerWaalsContact O-N 3.16Å; R960-E964 IonicContact CZ-OE1 3.71Å; R960-E964 IonicContact NE-OE1 3.72Å; R960-E964 PolarHBondContact NE-OE1 2.79Å; R960-E964 IonicContact NH2-OE1 2.96Å; R960-E964 PolarHBondContact NH2-OE1 3.05Å; R960-E964 WeakPolarHBondContact O-CG 3.37Å; R960-E964 PolarHBondContact O-N 3.32Å |
| 961 | K | 73.8 | Confident | 63.8 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 178.3 | -81.6 | -75.3 | 165.3 | -159.5 | 0 | 113.3 | L957 F958 E964 L965 F1088 | L957-K961 WeakPolarHBondContact O-CB 3.25Å; L957-K961 WeakPolarHBondContact O-CG 3.42Å; L957-K961 PolarHBondContact O-N 3.39Å; L957-K961 VanDerWaalsContact O-N 3.13Å; F958-K961 CarbonylContact O-C 3.03Å; F958-K961 PolarHBondContact O-N 2.97Å; K961-E964 WeakPolarHBondContact CE-OE2 3.43Å; K961-E964 IonicContact NZ-OE1 2.64Å; K961-E964 IonicContact NZ-OE2 3.52Å; K961-E964 PolarHBondContact NZ-OE2 3.13Å; K961-E964 PolarHBondContact O-N 3.25Å; K961-L965 PolarHBondContact O-N 2.81Å; K961-F1088 HydrophobicContact CB-CD1 3.75Å; K961-F1088 HydrophobicContact CB-CE1 4.25Å; K961-F1088 HydrophobicContact CB-CG 4.49Å; K961-F1088 HydrophobicContact CD-CD1 4.43Å |
| 962 | F | 77.2 | Confident | 64.9 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 173.6 | -158.5 | -99.7 | 0 | 0 | 0 | 111.5 | F958 R960 L965 L966 F979 I990 L996 T1000 A1004 F1088 | F958-F962 HydrophobicContact CE1-CB 4.13Å; F958-F962 HydrophobicContact CE1-CD2 4.38Å; F958-F962 HydrophobicContact CE1-CG 4.26Å; F958-F962 HydrophobicContact CE2-CB 4.21Å; F958-F962 AromaticContact CE2-CD2 3.89Å; F958-F962 HydrophobicContact CE2-CD2 3.89Å; F958-F962 HydrophobicContact CE2-CG 4.38Å; F958-F962 HydrophobicContact CZ-CB 3.87Å; F958-F962 AromaticContact CZ-CD2 3.47Å; F958-F962 HydrophobicContact CZ-CD2 3.47Å; F958-F962 VanDerWaalsContact CZ-CD2 3.47Å; F958-F962 HydrophobicContact CZ-CE2 4.2Å; F958-F962 AromaticContact CZ-CG 3.77Å; F958-F962 HydrophobicContact CZ-CG 3.77Å; F958-F962 WeakPolarHBondContact O-CB 3.41Å; F958-F962 PolarHBondContact O-N 2.83Å; R960-F962 VanDerWaalsContact C-N 3.29Å; R960-F962 PolarHBondContact O-N 3.44Å; F962-L965 HydrophobicContact CE2-CD2 4.46Å; F962-L965 PolarHBondContact O-N 3.02Å; F962-L966 HydrophobicContact CD1-CD1 3.74Å; F962-L966 HydrophobicContact CD1-CG 3.95Å; F962-L966 HydrophobicContact CE1-CD1 3.76Å; F962-L966 HydrophobicContact CE1-CD2 4.05Å; F962-L966 HydrophobicContact CE1-CG 3.86Å; F962-L966 WeakPolarHBondContact O-CB 3.47Å; F962-L966 VanDerWaalsContact O-CG 3.31Å; F962-L966 WeakPolarHBondContact O-CG 3.26Å; F962-L966 PolarHBondContact O-N 3.16Å; F962-F979 HydrophobicContact CB-CD1 4.16Å; F962-F979 HydrophobicContact CB-CG 4.47Å; F962-F979 HydrophobicContact CD1-CB 3.93Å; F962-F979 AromaticContact CD1-CD1 3.87Å; F962-F979 HydrophobicContact CD1-CD1 3.87Å; F962-F979 AromaticContact CD1-CD2 3.56Å; F962-F979 HydrophobicContact CD1-CD2 3.56Å; F962-F979 HydrophobicContact CD1-CE1 4.24Å; F962-F979 AromaticContact CD1-CE2 3.95Å; F962-F979 HydrophobicContact CD1-CE2 3.95Å; F962-F979 AromaticContact CD1-CG 3.5Å; F962-F979 HydrophobicContact CD1-CG 3.5Å; F962-F979 HydrophobicContact CD1-CZ 4.26Å; F962-F979 AromaticContact CE1-CD2 3.79Å; F962-F979 HydrophobicContact CE1-CD2 3.79Å; F962-F979 AromaticContact CE1-CE2 3.95Å; F962-F979 HydrophobicContact CE1-CE2 3.95Å; F962-F979 HydrophobicContact CE1-CG 4.22Å; F962-F979 HydrophobicContact CG-CD1 4.33Å; F962-F979 HydrophobicContact CG-CG 4.37Å; F962-I990 HydrophobicContact CE1-CG2 4.47Å; F962-L996 HydrophobicContact CZ-CD1 4.21Å; F962-T1000 HydrophobicContact CE2-CG2 3.62Å; F962-T1000 HydrophobicContact CZ-CG2 4.18Å; F962-A1004 HydrophobicContact CE1-CB 3.86Å; F962-A1004 HydrophobicContact CE2-CB 4.35Å; F962-A1004 HydrophobicContact CZ-CB 3.61Å; F962-F1088 HydrophobicContact CD2-CZ 4.11Å |
| 963 | T | 77.9 | Confident | 65.9 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 170.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | A959 R960 L965 L966 T967 F979 | A959-T963 WeakPolarHBondContact O-CB 3.24Å; A959-T963 PolarHBondContact O-N 2.84Å; A959-T963 PolarHBondContact O-OG1 2.86Å; R960-T963 WeakPolarHBondContact O-CB 3.47Å; R960-T963 PolarHBondContact O-N 3.28Å; R960-T963 VanDerWaalsContact O-N 3.16Å; T963-L965 VanDerWaalsContact C-N 3.35Å; T963-L965 PolarHBondContact O-N 3.49Å; T963-L966 PolarHBondContact O-N 3.08Å; T963-T967 WeakPolarHBondContact O-CB 3.45Å; T963-T967 PolarHBondContact O-N 2.77Å; T963-T967 PolarHBondContact O-OG1 3.47Å; T963-F979 WeakPolarHBondContact OG1-CB 3.36Å; T963-F979 PolarHBondContact OG1-N 3.29Å; T963-F979 PolarHBondContact OG1-O 2.91Å |
| 964 | E | 76.5 | Confident | 66.7 | Low | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 172.1 | -70.7 | 170.6 | -144.7 | 0 | 0 | 110.6 | R960 K961 S968 | R960-E964 IonicContact CZ-OE1 3.71Å; R960-E964 IonicContact NE-OE1 3.72Å; R960-E964 PolarHBondContact NE-OE1 2.79Å; R960-E964 IonicContact NH2-OE1 2.96Å; R960-E964 PolarHBondContact NH2-OE1 3.05Å; R960-E964 WeakPolarHBondContact O-CG 3.37Å; R960-E964 PolarHBondContact O-N 3.32Å; K961-E964 WeakPolarHBondContact CE-OE2 3.43Å; K961-E964 IonicContact NZ-OE1 2.64Å; K961-E964 IonicContact NZ-OE2 3.52Å; K961-E964 PolarHBondContact NZ-OE2 3.13Å; K961-E964 PolarHBondContact O-N 3.25Å; E964-S968 PolarHBondContact O-N 3.38Å; E964-S968 VanDerWaalsContact O-N 3.11Å |
| 965 | L | 75.9 | Confident | 67.1 | Low | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -53.6 | 175.2 | 175.3 | 59.1 | 0 | 0 | 0 | 112.3 | K961 F962 T963 T967 S968 Q969 L996 Y1087 F1088 | K961-L965 PolarHBondContact O-N 2.81Å; F962-L965 HydrophobicContact CE2-CD2 4.46Å; F962-L965 PolarHBondContact O-N 3.02Å; T963-L965 VanDerWaalsContact C-N 3.35Å; T963-L965 PolarHBondContact O-N 3.49Å; L965-T967 VanDerWaalsContact C-N 3.28Å; L965-T967 PolarHBondContact O-N 3.03Å; L965-S968 PolarHBondContact O-N 2.79Å; L965-S968 VanDerWaalsContact O-N 3.08Å; L965-S968 PolarHBondContact O-OG 2.95Å; L965-Q969 HydrophobicContact CD1-CG 3.76Å; L965-Q969 HydrophobicContact CG-CG 4.38Å; L965-Q969 WeakPolarHBondContact O-CG 3.39Å; L965-Q969 PolarHBondContact O-N 3.08Å; L965-L996 HydrophobicContact CD2-CD2 4.15Å; L965-L996 HydrophobicContact CG-CD2 4.49Å; L965-Y1087 HydrophobicContact CD1-CE1 3.77Å; L965-Y1087 WeakPolarHBondContact CD1-OH 3.29Å; L965-Y1087 HydrophobicContact CD2-CE1 4.04Å; L965-Y1087 HydrophobicContact CG-CE1 4.49Å; L965-F1088 HydrophobicContact CB-CE1 4.08Å; L965-F1088 HydrophobicContact CD2-CE1 3.93Å; L965-F1088 HydrophobicContact CD2-CZ 3.64Å |
| 966 | L | 72.4 | Confident | 67.6 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -53.7 | -46.8 | 178.5 | -74.8 | 175.6 | 0 | 0 | 0 | 111 | F962 T963 S968 Q969 L970 F979 I990 L993 L996 | F962-L966 HydrophobicContact CD1-CD1 3.74Å; F962-L966 HydrophobicContact CD1-CG 3.95Å; F962-L966 HydrophobicContact CE1-CD1 3.76Å; F962-L966 HydrophobicContact CE1-CD2 4.05Å; F962-L966 HydrophobicContact CE1-CG 3.86Å; F962-L966 WeakPolarHBondContact O-CB 3.47Å; F962-L966 VanDerWaalsContact O-CG 3.31Å; F962-L966 WeakPolarHBondContact O-CG 3.26Å; F962-L966 PolarHBondContact O-N 3.16Å; T963-L966 PolarHBondContact O-N 3.08Å; L966-S968 VanDerWaalsContact C-N 3.33Å; L966-S968 PolarHBondContact O-N 3.32Å; L966-Q969 CarbonylContact O-C 3.56Å; L966-Q969 PolarHBondContact O-N 3.44Å; L966-Q969 VanDerWaalsContact O-N 3.09Å; L966-L970 HydrophobicContact CB-CD1 4.11Å; L966-L970 HydrophobicContact CD2-CD1 4.4Å; L966-L970 WeakPolarHBondContact O-CB 3.36Å; L966-L970 WeakPolarHBondContact O-CD1 3.41Å; L966-L970 WeakPolarHBondContact O-CG 3.37Å; L966-L970 PolarHBondContact O-N 3.35Å; L966-F979 HydrophobicContact CD1-CB 3.97Å; L966-F979 HydrophobicContact CD1-CD2 4.48Å; L966-I990 HydrophobicContact CD1-CD1 4.03Å; L966-I990 HydrophobicContact CD1-CG1 4.38Å; L966-I990 HydrophobicContact CD1-CG2 4.35Å; L966-I990 HydrophobicContact CD2-CG2 3.93Å; L966-L993 HydrophobicContact CD2-CD1 3.91Å; L966-L996 HydrophobicContact CD2-CD1 3.93Å |
| 967 | T | 74.1 | Confident | 67.9 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | T963 L965 Q969 L970 | T963-T967 WeakPolarHBondContact O-CB 3.45Å; T963-T967 PolarHBondContact O-N 2.77Å; T963-T967 PolarHBondContact O-OG1 3.47Å; L965-T967 VanDerWaalsContact C-N 3.28Å; L965-T967 PolarHBondContact O-N 3.03Å; T967-Q969 VanDerWaalsContact C-N 3.26Å; T967-Q969 PolarHBondContact O-N 2.99Å; T967-L970 PolarHBondContact O-N 3.24Å |
| 968 | S | 74 | Confident | 67.9 | Low | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66 | -23.2 | 178.5 | 75.8 | 0 | 0 | 0 | 0 | 114.6 | E964 L965 L966 | E964-S968 PolarHBondContact O-N 3.38Å; E964-S968 VanDerWaalsContact O-N 3.11Å; L965-S968 PolarHBondContact O-N 2.79Å; L965-S968 VanDerWaalsContact O-N 3.08Å; L965-S968 PolarHBondContact O-OG 2.95Å; L966-S968 VanDerWaalsContact C-N 3.33Å; L966-S968 PolarHBondContact O-N 3.32Å |
| 969 | Q | 67.3 | Low | 67.8 | Low | 82 Ų | 82 | 65.2 Ų | 65.2 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -98.7 | -1.6 | -179.2 | -63.7 | -63.4 | -50.7 | 0 | 0 | 113.1 | L965 L966 T967 | L965-Q969 HydrophobicContact CD1-CG 3.76Å; L965-Q969 HydrophobicContact CG-CG 4.38Å; L965-Q969 WeakPolarHBondContact O-CG 3.39Å; L965-Q969 PolarHBondContact O-N 3.08Å; L966-Q969 CarbonylContact O-C 3.56Å; L966-Q969 PolarHBondContact O-N 3.44Å; L966-Q969 VanDerWaalsContact O-N 3.09Å; T967-Q969 VanDerWaalsContact C-N 3.26Å; T967-Q969 PolarHBondContact O-N 2.99Å |
| 970 | L | 65.4 | Low | 67.7 | Low | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | trans | -123.8 | 11.1 | -172.2 | -71.6 | 171.6 | 0 | 0 | 0 | 114.1 | L966 T967 G972 C973 L974 A977 L993 | L966-L970 HydrophobicContact CB-CD1 4.11Å; L966-L970 HydrophobicContact CD2-CD1 4.4Å; L966-L970 WeakPolarHBondContact O-CB 3.36Å; L966-L970 WeakPolarHBondContact O-CD1 3.41Å; L966-L970 WeakPolarHBondContact O-CG 3.37Å; L966-L970 PolarHBondContact O-N 3.35Å; T967-L970 PolarHBondContact O-N 3.24Å; L970-G972 PolarHBondContact O-N 3.24Å; L970-C973 HydrophobicContact CD2-CB 4.2Å; L970-C973 PolarHBondContact O-N 3.48Å; L970-L974 HydrophobicContact CD1-CB 4.23Å; L970-L974 HydrophobicContact CD2-CB 4.4Å; L970-L974 PolarHBondContact O-N 2.8Å; L970-A977 HydrophobicContact CD1-CB 3.5Å; L970-L993 HydrophobicContact CD1-CD1 4.07Å; L970-L993 HydrophobicContact CD2-CD1 3.8Å; L970-L993 HydrophobicContact CD2-CD2 3.59Å; L970-L993 HydrophobicContact CD2-CG 4.33Å; L970-L993 HydrophobicContact CG-CD1 4.19Å | ||
| 971 | E | 57.2 | Low | 67.7 | Low | 175 Ų | 175 | 60 Ų | 60 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 103.3 | 175.8 | -66.1 | -160.6 | 144.5 | 0 | 0 | 111 | ||
| 972 | G | 56.6 | Low | 67.4 | Low | 82 Ų | 82 | 61.4 Ų | 61.4 | 85% | 0.845 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.2 | -24.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L970 | L970-G972 PolarHBondContact O-N 3.24Š|
| 973 | C | 55.2 | Low | 67.1 | Low | 102 Ų | 102 | 63.3 Ų | 63.3 | 69% | 0.689 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -45.9 | -171.8 | -67.7 | 0 | 0 | 0 | 0 | 114.4 | L970 | L970-C973 HydrophobicContact CD2-CB 4.2Å; L970-C973 PolarHBondContact O-N 3.48Å |
| 974 | L | 58 | Low | 66.6 | Low | 64 Ų | 64 | 62.6 Ų | 62.6 | 34% | 0.335 | 38% | 0.376 | S | S | . | . | trans | -142.2 | 85.2 | -178 | -78.8 | 172.8 | 0 | 0 | 0 | 109.9 | L970 K976 A977 | L970-L974 HydrophobicContact CD1-CB 4.23Å; L970-L974 HydrophobicContact CD2-CB 4.4Å; L970-L974 PolarHBondContact O-N 2.8Å; L974-K976 PolarHBondContact O-N 3.02Å; L974-A977 HydrophobicContact CB-CB 4.33Å; L974-A977 PolarHBondContact O-N 3.08Å | ||
| 975 | P | 52.6 | Low | 66.4 | Low | 128 Ų | 128 | 63 Ų | 63 | 83% | 0.831 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 12.2 | -167 | 29.3 | -36.7 | 0 | 0 | 0 | 115.7 | ||
| 976 | K | 64 | Low | 66.4 | Low | 184 Ų | 184 | 64.7 Ų | 64.7 | 80% | 0.8 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.4 | 27.8 | 178.4 | -67.1 | -165.8 | 176.8 | -175.6 | 0 | 113.9 | L974 V978 | L974-K976 PolarHBondContact O-N 3.02Å; K976-V978 PolarHBondContact O-N 3Å |
| 977 | A | 62.7 | Low | 66.7 | Low | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | trans | -63.2 | 119.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L970 L974 | L970-A977 HydrophobicContact CD1-CB 3.5Å; L974-A977 HydrophobicContact CB-CB 4.33Å; L974-A977 PolarHBondContact O-N 3.08Å | ||
| 978 | V | 67.2 | Low | 66.9 | Low | 68 Ų | 68 | 61.4 Ų | 61.4 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | trans | -115.1 | 142.5 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | K976 P980 P981 | K976-V978 PolarHBondContact O-N 3Å; V978-P980 CarbonylContact O-C 3.59Å; V978-P981 WeakPolarHBondContact O-CA 3.19Å | ||
| 979 | F | 70.5 | Confident | 67.1 | Low | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -120.2 | 132.4 | 174 | -170.8 | -89.1 | 0 | 0 | 0 | 110.8 | F958 A959 F962 T963 L966 A1004 Y1007 V1008 | F958-F979 HydrophobicContact CD1-CE1 4.3Å; F958-F979 HydrophobicContact CE1-CD1 4.49Å; F958-F979 AromaticContact CE1-CE1 3.7Å; F958-F979 HydrophobicContact CE1-CE1 3.7Å; F958-F979 HydrophobicContact CE1-CZ 4.23Å; A959-F979 HydrophobicContact CB-CD1 3.79Å; A959-F979 HydrophobicContact CB-CE1 4.25Å; F962-F979 HydrophobicContact CB-CD1 4.16Å; F962-F979 HydrophobicContact CB-CG 4.47Å; F962-F979 HydrophobicContact CD1-CB 3.93Å; F962-F979 AromaticContact CD1-CD1 3.87Å; F962-F979 HydrophobicContact CD1-CD1 3.87Å; F962-F979 AromaticContact CD1-CD2 3.56Å; F962-F979 HydrophobicContact CD1-CD2 3.56Å; F962-F979 HydrophobicContact CD1-CE1 4.24Å; F962-F979 AromaticContact CD1-CE2 3.95Å; F962-F979 HydrophobicContact CD1-CE2 3.95Å; F962-F979 AromaticContact CD1-CG 3.5Å; F962-F979 HydrophobicContact CD1-CG 3.5Å; F962-F979 HydrophobicContact CD1-CZ 4.26Å; F962-F979 AromaticContact CE1-CD2 3.79Å; F962-F979 HydrophobicContact CE1-CD2 3.79Å; F962-F979 AromaticContact CE1-CE2 3.95Å; F962-F979 HydrophobicContact CE1-CE2 3.95Å; F962-F979 HydrophobicContact CE1-CG 4.22Å; F962-F979 HydrophobicContact CG-CD1 4.33Å; F962-F979 HydrophobicContact CG-CG 4.37Å; T963-F979 WeakPolarHBondContact OG1-CB 3.36Å; T963-F979 PolarHBondContact OG1-N 3.29Å; T963-F979 PolarHBondContact OG1-O 2.91Å; L966-F979 HydrophobicContact CD1-CB 3.97Å; L966-F979 HydrophobicContact CD1-CD2 4.48Å; F979-A1004 HydrophobicContact CE2-CB 3.9Å; F979-A1004 HydrophobicContact CZ-CB 4.12Å; F979-A1004 WeakPolarHBondContact CZ-O 3.14Å; F979-Y1007 AromaticContact CE1-CD1 3.51Å; F979-Y1007 HydrophobicContact CE1-CD1 3.51Å; F979-Y1007 AromaticContact CE1-CE1 3.82Å; F979-Y1007 HydrophobicContact CE1-CE1 3.82Å; F979-Y1007 HydrophobicContact CE1-CG 4.19Å; F979-Y1007 AromaticContact CZ-CD1 3.74Å; F979-Y1007 HydrophobicContact CZ-CD1 3.74Å; F979-Y1007 HydrophobicContact CZ-CE1 4.48Å; F979-Y1007 HydrophobicContact CZ-CG 4.25Å; F979-V1008 HydrophobicContact CD2-CG2 4.31Å; F979-V1008 HydrophobicContact CE1-CG2 4.31Å; F979-V1008 HydrophobicContact CE2-CG2 3.44Å; F979-V1008 VanDerWaalsContact CE2-CG2 3.44Å; F979-V1008 HydrophobicContact CZ-CG2 3.46Å; F979-V1008 VanDerWaalsContact CZ-CG2 3.46Å |
| 980 | P | 69.9 | Low | 67.6 | Low | 29 Ų | 29 | 57.5 Ų | 57.5 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | S | Bend | cis | -69.2 | 143.9 | -1.4 | 30.6 | -36.4 | 0 | 0 | 0 | 112.6 | V978 V1008 | V978-P980 CarbonylContact O-C 3.59Å; P980-V1008 HydrophobicContact CB-CG2 3.96Å |
| 981 | P | 74.4 | Confident | 68.4 | Low | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | trans | -70.8 | 161.1 | -175.7 | 28.5 | -35.2 | 0 | 0 | 0 | 113.5 | V978 E986 L987 I990 | V978-P981 WeakPolarHBondContact O-CA 3.19Å; P981-E986 HydrophobicContact CB-CB 3.92Å; P981-E986 HydrophobicContact CB-CG 3.66Å; P981-E986 WeakPolarHBondContact CB-OE2 3.41Å; P981-L987 HydrophobicContact CG-CB 3.66Å; P981-L987 HydrophobicContact CG-CD1 3.75Å; P981-L987 HydrophobicContact CG-CG 4.24Å; P981-I990 HydrophobicContact CB-CD1 4.04Å; P981-I990 HydrophobicContact CG-CD1 4.21Å | ||
| 982 | A | 66.9 | Low | 69.6 | Low | 86 Ų | 86 | 49 Ų | 49 | 71% | 0.711 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -80.9 | -26.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | E986 | A982-E986 PolarHBondContact N-OE2 3.01Š|
| 983 | S | 69.7 | Low | 70.7 | Confident | 40 Ų | 40 | 46 Ų | 46 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -136.2 | 161.1 | -177.7 | 76.1 | 0 | 0 | 0 | 0 | 113.6 | E985 E986 L987 | S983-E985 PolarHBondContact O-N 3.19Å; S983-E985 PolarHBondContact OG-N 2.97Å; S983-E986 PolarHBondContact O-N 3.24Å; S983-E986 PolarHBondContact OG-N 2.77Å; S983-L987 PolarHBondContact O-N 3.45Å |
| 984 | L | 68.6 | Low | 71.7 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.1 | -36.9 | 169.9 | -164 | 77.5 | 0 | 0 | 0 | 111.9 | W925 F926 Q930 F934 L987 L988 | W925-L984 HydrophobicContact CH2-CD1 3.93Å; W925-L984 HydrophobicContact CZ3-CD1 4.2Å; F926-L984 HydrophobicContact CD1-CD1 3.69Å; F926-L984 HydrophobicContact CD1-CD2 4.22Å; F926-L984 HydrophobicContact CD1-CG 3.69Å; F926-L984 HydrophobicContact CE1-CD1 3.53Å; F926-L984 HydrophobicContact CE1-CG 3.85Å; Q930-L984 HydrophobicContact CG-CD2 4.22Å; F934-L984 HydrophobicContact CD2-CB 3.65Å; F934-L984 HydrophobicContact CD2-CD1 4.13Å; F934-L984 HydrophobicContact CD2-CG 4.32Å; F934-L984 HydrophobicContact CE2-CB 3.63Å; F934-L984 HydrophobicContact CE2-CD1 3.7Å; F934-L984 HydrophobicContact CE2-CG 4.23Å; F934-L984 HydrophobicContact CG-CB 4.18Å; F934-L984 HydrophobicContact CZ-CB 4.11Å; L984-L987 PolarHBondContact O-N 3.38Å; L984-L988 WeakPolarHBondContact O-CB 3.2Å; L984-L988 PolarHBondContact O-N 2.88Å |
| 985 | E | 72.1 | Confident | 72.5 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 179 | -166.6 | -151.9 | 139.9 | 0 | 0 | 111.2 | L864 S983 L988 R989 | L864-E985 HydrophobicContact CD2-CB 4.44Å; L864-E985 HydrophobicContact CD2-CG 3.34Å; S983-E985 PolarHBondContact O-N 3.19Å; S983-E985 PolarHBondContact OG-N 2.97Å; E985-L988 PolarHBondContact O-N 2.95Å; E985-R989 WeakPolarHBondContact O-CG 3.11Å; E985-R989 PolarHBondContact O-N 3.28Å; E985-R989 IonicContact OE1-CZ 2.72Å; E985-R989 IonicContact OE1-NE 3.87Å; E985-R989 PolarHBondContact OE1-NE 3Å; E985-R989 IonicContact OE1-NH2 3.89Å; E985-R989 PolarHBondContact OE1-NH2 3.17Å |
| 986 | E | 74.9 | Confident | 73.7 | Confident | 49 Ų | 49 | 41 Ų | 41 | 23% | 0.229 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 177.1 | -174.4 | 179.3 | -148.9 | 0 | 0 | 111.3 | P981 A982 S983 R989 I990 | P981-E986 HydrophobicContact CB-CB 3.92Å; P981-E986 HydrophobicContact CB-CG 3.66Å; P981-E986 WeakPolarHBondContact CB-OE2 3.41Å; A982-E986 PolarHBondContact N-OE2 3.01Å; S983-E986 PolarHBondContact O-N 3.24Å; S983-E986 PolarHBondContact OG-N 2.77Å; E986-R989 PolarHBondContact O-N 2.94Å; E986-I990 HydrophobicContact CG-CD1 4.39Å; E986-I990 WeakPolarHBondContact O-CG1 3.45Å; E986-I990 PolarHBondContact O-N 2.99Å |
| 987 | L | 78.9 | Confident | 74.3 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 171.9 | -174.8 | 60 | 0 | 0 | 0 | 112 | F926 P981 S983 L984 I990 Y991 V1005 V1008 | F926-L987 HydrophobicContact CE1-CB 4.38Å; F926-L987 HydrophobicContact CE1-CD2 3.99Å; F926-L987 HydrophobicContact CE1-CG 4.17Å; F926-L987 HydrophobicContact CZ-CB 4.41Å; F926-L987 HydrophobicContact CZ-CD2 3.73Å; F926-L987 HydrophobicContact CZ-CG 3.77Å; P981-L987 HydrophobicContact CG-CB 3.66Å; P981-L987 HydrophobicContact CG-CD1 3.75Å; P981-L987 HydrophobicContact CG-CG 4.24Å; S983-L987 PolarHBondContact O-N 3.45Å; L984-L987 PolarHBondContact O-N 3.38Å; L987-I990 PolarHBondContact O-N 3.29Å; L987-Y991 WeakPolarHBondContact O-CB 3.21Å; L987-Y991 PolarHBondContact O-N 2.83Å; L987-V1005 HydrophobicContact CD1-CG2 4.15Å; L987-V1005 HydrophobicContact CD2-CG2 4.46Å; L987-V1005 HydrophobicContact CG-CG2 4.24Å; L987-V1008 HydrophobicContact CD1-CB 4.28Å; L987-V1008 HydrophobicContact CD1-CG1 4.49Å; L987-V1008 HydrophobicContact CD1-CG2 4.03Å; L987-V1008 HydrophobicContact CD2-CB 4.16Å; L987-V1008 HydrophobicContact CD2-CG1 3.93Å |
| 988 | L | 78.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 174.4 | -177.8 | 59.9 | 0 | 0 | 0 | 110.9 | L864 V923 F926 L927 L984 E985 I990 Y991 L992 | L864-L988 HydrophobicContact CD1-CD2 4.08Å; L864-L988 HydrophobicContact CD1-CG 4.14Å; L864-L988 HydrophobicContact CD2-CD2 4.13Å; L864-L988 HydrophobicContact CG-CD2 4.16Å; V923-L988 HydrophobicContact CG2-CD1 4.36Å; F926-L988 HydrophobicContact CB-CD1 4.09Å; F926-L988 HydrophobicContact CB-CD2 4.22Å; F926-L988 HydrophobicContact CD1-CB 4.24Å; F926-L988 HydrophobicContact CD2-CD1 3.77Å; F926-L988 HydrophobicContact CE1-CB 4.43Å; F926-L988 HydrophobicContact CE2-CD1 4.35Å; F926-L988 HydrophobicContact CG-CB 4.4Å; F926-L988 HydrophobicContact CG-CD1 3.95Å; L927-L988 HydrophobicContact CD2-CD2 4.32Å; L984-L988 WeakPolarHBondContact O-CB 3.2Å; L984-L988 PolarHBondContact O-N 2.88Å; E985-L988 PolarHBondContact O-N 2.95Å; L988-I990 VanDerWaalsContact C-N 3.3Å; L988-I990 PolarHBondContact O-N 2.88Å; L988-Y991 HydrophobicContact CD1-CD1 4.48Å; L988-Y991 CarbonylContact O-C 3.53Å; L988-Y991 WeakPolarHBondContact O-CA 3.23Å; L988-Y991 WeakPolarHBondContact O-CB 3.34Å; L988-Y991 PolarHBondContact O-N 2.74Å; L988-L992 HydrophobicContact CD1-CD1 4.24Å; L988-L992 HydrophobicContact CD1-CD2 4.11Å; L988-L992 HydrophobicContact CD1-CG 3.98Å; L988-L992 HydrophobicContact CG-CD1 4.04Å; L988-L992 HydrophobicContact CG-CG 4.2Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.48Å; L988-L992 PolarHBondContact O-N 3.24Å |
| 989 | R | 77.8 | Confident | 75.2 | Confident | 63 Ų | 63 | 34.5 Ų | 34.5 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.5 | -43.2 | 174.9 | -72.9 | -178.4 | -171 | -87.5 | 0.1 | 111.6 | L864 D865 E985 E986 L992 L993 | L864-R989 HydrophobicContact CD1-CG 3.89Å; L864-R989 PolarHBondContact O-NH2 3.2Å; D865-R989 IonicContact OD1-CZ 2.94Å; D865-R989 IonicContact OD1-NH1 3.35Å; D865-R989 PolarHBondContact OD1-NH1 2.82Å; D865-R989 VanDerWaalsContact OD1-NH1 3.09Å; D865-R989 IonicContact OD1-NH2 3.87Å; D865-R989 PolarHBondContact OD1-NH2 3.21Å; E985-R989 WeakPolarHBondContact O-CG 3.11Å; E985-R989 PolarHBondContact O-N 3.28Å; E985-R989 IonicContact OE1-CZ 2.72Å; E985-R989 IonicContact OE1-NE 3.87Å; E985-R989 PolarHBondContact OE1-NE 3Å; E985-R989 IonicContact OE1-NH2 3.89Å; E985-R989 PolarHBondContact OE1-NH2 3.17Å; E986-R989 PolarHBondContact O-N 2.94Å; R989-L992 PolarHBondContact O-N 3.09Å; R989-L993 WeakPolarHBondContact O-CG 3.39Å |
| 990 | I | 78.7 | Confident | 75.6 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 172.6 | -69.6 | 165.8 | 0 | 0 | 0 | 111.5 | F962 L966 P981 E986 L987 L988 L992 L993 | F962-I990 HydrophobicContact CE1-CG2 4.47Å; L966-I990 HydrophobicContact CD1-CD1 4.03Å; L966-I990 HydrophobicContact CD1-CG1 4.38Å; L966-I990 HydrophobicContact CD1-CG2 4.35Å; L966-I990 HydrophobicContact CD2-CG2 3.93Å; P981-I990 HydrophobicContact CB-CD1 4.04Å; P981-I990 HydrophobicContact CG-CD1 4.21Å; E986-I990 HydrophobicContact CG-CD1 4.39Å; E986-I990 WeakPolarHBondContact O-CG1 3.45Å; E986-I990 PolarHBondContact O-N 2.99Å; L987-I990 PolarHBondContact O-N 3.29Å; L988-I990 VanDerWaalsContact C-N 3.3Å; L988-I990 PolarHBondContact O-N 2.88Å; I990-L992 VanDerWaalsContact C-N 3.29Å; I990-L992 PolarHBondContact O-N 2.73Å; I990-L993 WeakPolarHBondContact O-CB 3.37Å; I990-L993 VanDerWaalsContact O-CG 3.27Å; I990-L993 WeakPolarHBondContact O-CG 3.41Å; I990-L993 PolarHBondContact O-N 3.32Å |
| 991 | Y | 81.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -26.2 | 179.2 | -166.8 | -107.3 | 0 | 0 | 0 | 113.5 | Y919 V922 V923 F926 L987 L988 K1001 H1002 V1005 | Y919-Y991 WeakPolarHBondContact CA-OH 3.49Å; Y919-Y991 HydrophobicContact CD2-CD1 4.13Å; Y919-Y991 AromaticContact CD2-CE1 3.38Å; Y919-Y991 HydrophobicContact CD2-CE1 3.38Å; Y919-Y991 AromaticContact CD2-CZ 3.76Å; Y919-Y991 AromaticContact CE2-CD1 3.86Å; Y919-Y991 HydrophobicContact CE2-CD1 3.86Å; Y919-Y991 AromaticContact CE2-CE1 3.59Å; Y919-Y991 HydrophobicContact CE2-CE1 3.59Å; Y919-Y991 HydrophobicContact CG-CE1 4.34Å; V922-Y991 HydrophobicContact CB-CE1 3.82Å; V922-Y991 WeakPolarHBondContact CB-OH 3.43Å; V922-Y991 HydrophobicContact CG1-CD1 4.04Å; V922-Y991 HydrophobicContact CG1-CE1 3.42Å; V922-Y991 VanDerWaalsContact CG1-CE1 3.42Å; V922-Y991 HydrophobicContact CG1-CE2 4.03Å; V922-Y991 VanDerWaalsContact CG1-CZ 3.4Å; V923-Y991 HydrophobicContact CG2-CD1 4.06Å; V923-Y991 HydrophobicContact CG2-CE1 3.93Å; F926-Y991 HydrophobicContact CE2-CD1 4.41Å; F926-Y991 HydrophobicContact CE2-CG 4.45Å; L987-Y991 WeakPolarHBondContact O-CB 3.21Å; L987-Y991 PolarHBondContact O-N 2.83Å; L988-Y991 HydrophobicContact CD1-CD1 4.48Å; L988-Y991 CarbonylContact O-C 3.53Å; L988-Y991 WeakPolarHBondContact O-CA 3.23Å; L988-Y991 WeakPolarHBondContact O-CB 3.34Å; L988-Y991 PolarHBondContact O-N 2.74Å; Y991-K1001 HydrophobicContact CD2-CB 3.72Å; Y991-K1001 HydrophobicContact CD2-CG 4.41Å; Y991-K1001 HydrophobicContact CE2-CB 3.68Å; Y991-K1001 WeakPolarHBondContact CE2-O 3.49Å; Y991-K1001 VanDerWaalsContact O-CD 3.31Å; Y991-K1001 WeakPolarHBondContact O-CD 3.39Å; Y991-K1001 WeakPolarHBondContact O-CE 3.44Å; Y991-K1001 PolarHBondContact O-NZ 3.4Å; Y991-H1002 AromaticContact CE2-ND1 3.67Å; Y991-H1002 AromaticContact CZ-ND1 3.61Å; Y991-H1002 PolarHBondContact OH-CE1 3.43Å; Y991-H1002 PolarHBondContact OH-ND1 3Å; Y991-V1005 HydrophobicContact CD2-CB 4.47Å; Y991-V1005 HydrophobicContact CD2-CG2 3.3Å; Y991-V1005 HydrophobicContact CE2-CG2 3.74Å; Y991-V1005 HydrophobicContact CG-CG2 3.98Å |
| 992 | L | 82.6 | Confident | 76.2 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -83.8 | -8.8 | 177.4 | -62.9 | 179.1 | 0 | 0 | 0 | 114 | Q857 A860 M861 L864 Y919 V923 L988 R989 I990 | Q857-L992 HydrophobicContact CG-CD2 4.33Å; Q857-L992 PolarHBondContact NE2-O 3.31Å; A860-L992 HydrophobicContact CB-CD1 3.65Å; A860-L992 HydrophobicContact CB-CD2 3.86Å; A860-L992 HydrophobicContact CB-CG 4.4Å; M861-L992 HydrophobicContact CG-CD1 4.04Å; M861-L992 HydrophobicContact SD-CB 4.08Å; M861-L992 HydrophobicContact SD-CD1 3.58Å; M861-L992 VanDerWaalsContact SD-CD1 3.58Å; M861-L992 HydrophobicContact SD-CG 4.49Å; L864-L992 HydrophobicContact CD1-CD1 3.61Å; Y919-L992 WeakPolarHBondContact OH-CD2 3.49Å; V923-L992 HydrophobicContact CG2-CD2 4.04Å; L988-L992 HydrophobicContact CD1-CD1 4.24Å; L988-L992 HydrophobicContact CD1-CD2 4.11Å; L988-L992 HydrophobicContact CD1-CG 3.98Å; L988-L992 HydrophobicContact CG-CD1 4.04Å; L988-L992 HydrophobicContact CG-CG 4.2Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.48Å; L988-L992 PolarHBondContact O-N 3.24Å; R989-L992 PolarHBondContact O-N 3.09Å; I990-L992 VanDerWaalsContact C-N 3.29Å; I990-L992 PolarHBondContact O-N 2.73Å |
| 993 | L | 80.6 | Confident | 76.8 | Confident | 20 Ų | 20 | 29.5 Ų | 29.5 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | trans | -59 | 126.2 | -174.8 | -63.9 | 178.5 | 0 | 0 | 0 | 113.9 | L966 L970 R989 I990 S995 L996 K1001 | L966-L993 HydrophobicContact CD2-CD1 3.91Å; L970-L993 HydrophobicContact CD1-CD1 4.07Å; L970-L993 HydrophobicContact CD2-CD1 3.8Å; L970-L993 HydrophobicContact CD2-CD2 3.59Å; L970-L993 HydrophobicContact CD2-CG 4.33Å; L970-L993 HydrophobicContact CG-CD1 4.19Å; R989-L993 WeakPolarHBondContact O-CG 3.39Å; I990-L993 WeakPolarHBondContact O-CB 3.37Å; I990-L993 VanDerWaalsContact O-CG 3.27Å; I990-L993 WeakPolarHBondContact O-CG 3.41Å; I990-L993 PolarHBondContact O-N 3.32Å; L993-S995 VanDerWaalsContact C-N 3.28Å; L993-S995 PolarHBondContact O-N 3.06Å; L993-L996 HydrophobicContact CD1-CD1 4.28Å; L993-K1001 WeakPolarHBondContact O-CE 3.37Å; L993-K1001 PolarHBondContact O-NZ 3.42Å | ||
| 994 | P | 75 | Confident | 77.2 | Confident | 115 Ų | 115 | 27.7 Ų | 27.7 | 75% | 0.747 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.1 | -177.6 | -25.5 | 34.7 | 0 | 0 | 0 | 115.6 | ||
| 995 | S | 75.3 | Confident | 77.7 | Confident | 59 Ų | 59 | 27.1 Ų | 27.1 | 41% | 0.413 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -22.6 | -171.8 | 44.3 | 0 | 0 | 0 | 0 | 115.2 | L993 | L993-S995 VanDerWaalsContact C-N 3.28Å; L993-S995 PolarHBondContact O-N 3.06Å |
| 996 | L | 76.5 | Confident | 77.8 | Confident | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -86.5 | 136.9 | 178 | -61.5 | 177 | 0 | 0 | 0 | 111.1 | F962 L965 L966 L993 T1000 K1001 | F962-L996 HydrophobicContact CZ-CD1 4.21Å; L965-L996 HydrophobicContact CD2-CD2 4.15Å; L965-L996 HydrophobicContact CG-CD2 4.49Å; L966-L996 HydrophobicContact CD2-CD1 3.93Å; L993-L996 HydrophobicContact CD1-CD1 4.28Å; L996-T1000 HydrophobicContact CD2-CG2 4.49Å; L996-K1001 HydrophobicContact CB-CD 4.33Å; L996-K1001 HydrophobicContact CB-CG 3.82Å; L996-K1001 HydrophobicContact CD1-CG 4.45Å; L996-K1001 VanDerWaalsContact O-CE 3.25Å; L996-K1001 WeakPolarHBondContact O-CE 3.18Å |
| 997 | D | 77.1 | Confident | 78.2 | Confident | 76 Ų | 76 | 21 Ų | 21 | 41% | 0.406 | 12% | 0.116 | S | C | . | . | trans | -67 | 158.9 | 172 | 78.6 | 83.8 | 0 | 0 | 0 | 111.7 | R999 T1000 K1001 | D997-R999 VanDerWaalsContact C-N 3.34Å; D997-R999 PolarHBondContact O-N 2.66Å; D997-R999 WeakPolarHBondContact OD1-CA 3.16Å; D997-R999 WeakPolarHBondContact OD1-CB 3.13Å; D997-R999 PolarHBondContact OD1-N 3.04Å; D997-T1000 PolarHBondContact OD1-N 3.14Å; D997-T1000 PolarHBondContact OD1-OG1 3.36Å; D997-T1000 WeakPolarHBondContact OD2-CB 3.44Å; D997-T1000 PolarHBondContact OD2-OG1 3.16Å; D997-K1001 VanDerWaalsContact O-CG 3.29Å; D997-K1001 WeakPolarHBondContact O-CG 3.43Å; D997-K1001 PolarHBondContact O-N 3.35Å | ||
| 998 | L | 76.1 | Confident | 78.2 | Confident | 19 Ų | 19 | 21 Ų | 21 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -35 | -175.1 | -71.7 | 177.8 | 0 | 0 | 0 | 113.3 | K853 L915 I916 Y919 K1001 H1002 | K853-L998 HydrophobicContact CD-CD1 4.45Å; L915-L998 HydrophobicContact CB-CB 4Å; L915-L998 HydrophobicContact CB-CD1 3.92Å; I916-L998 HydrophobicContact CG1-CD1 3.76Å; Y919-L998 HydrophobicContact CD2-CD2 3.74Å; Y919-L998 HydrophobicContact CE2-CD2 4.49Å; Y919-L998 HydrophobicContact CG-CD2 3.96Å; L998-K1001 HydrophobicContact CD2-CD 4.32Å; L998-K1001 WeakPolarHBondContact O-CB 3.31Å; L998-K1001 PolarHBondContact O-N 3.44Å; L998-H1002 PolarHBondContact O-CD2 3.34Å; L998-H1002 PolarHBondContact O-N 3.34Å; L998-H1002 PolarHBondContact O-ND1 3.2Å; L998-H1002 PolarHBondContact O-NE2 3.46Å |
| 999 | R | 73.5 | Confident | 77.9 | Confident | 27 Ų | 27 | 21.4 Ų | 21.4 | 10% | 0.102 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.3 | -41.6 | -175.8 | -163.2 | -172.8 | -75.3 | -121.7 | 9.6 | 110.4 | E911 L915 D997 K1001 H1002 F1003 L1044 S1077 F1080 | E911-R999 IonicContact OE2-NH2 3.09Å; L915-R999 HydrophobicContact CD2-CB 4.34Å; L915-R999 HydrophobicContact CD2-CG 4.49Å; D997-R999 VanDerWaalsContact C-N 3.34Å; D997-R999 PolarHBondContact O-N 2.66Å; D997-R999 WeakPolarHBondContact OD1-CA 3.16Å; D997-R999 WeakPolarHBondContact OD1-CB 3.13Å; D997-R999 PolarHBondContact OD1-N 3.04Å; R999-K1001 VanDerWaalsContact C-N 3.34Å; R999-K1001 PolarHBondContact O-N 2.9Å; R999-H1002 PolarHBondContact O-N 3.01Å; R999-F1003 WeakPolarHBondContact O-CB 3.24Å; R999-F1003 PolarHBondContact O-N 2.91Å; R999-L1044 HydrophobicContact CG-CD1 3.78Å; R999-S1077 PolarHBondContact NH1-OG 3.24Å; R999-F1080 HydrophobicContact CB-CE2 3.99Å; R999-F1080 HydrophobicContact CB-CZ 4.01Å; R999-F1080 VanDerWaalsContact CD-CE1 3.48Å; R999-F1080 HydrophobicContact CG-CD1 4.34Å; R999-F1080 HydrophobicContact CG-CE1 4.03Å; R999-F1080 HydrophobicContact CG-CE2 4.26Å; R999-F1080 HydrophobicContact CG-CZ 3.97Å |
| 1000 | T | 77.8 | Confident | 77.7 | Confident | 8 Ų | 8 | 18.7 Ų | 18.7 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 170.2 | -65 | 0 | 0 | 0 | 0 | 112.3 | F962 L996 D997 A1004 F1084 | F962-T1000 HydrophobicContact CE2-CG2 3.62Å; F962-T1000 HydrophobicContact CZ-CG2 4.18Å; L996-T1000 HydrophobicContact CD2-CG2 4.49Å; D997-T1000 PolarHBondContact OD1-N 3.14Å; D997-T1000 PolarHBondContact OD1-OG1 3.36Å; D997-T1000 WeakPolarHBondContact OD2-CB 3.44Å; D997-T1000 PolarHBondContact OD2-OG1 3.16Å; T1000-A1004 WeakPolarHBondContact O-CB 3.48Å; T1000-A1004 PolarHBondContact O-N 2.87Å; T1000-F1084 HydrophobicContact CG2-CE2 4.18Å; T1000-F1084 WeakPolarHBondContact OG1-CE2 3.46Å |
| 1001 | K | 80.8 | Confident | 77.6 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 174.5 | -76.6 | 173.7 | 169.6 | -154.7 | 0 | 113.2 | Y991 L993 L996 D997 L998 R999 F1003 A1004 V1005 | Y991-K1001 HydrophobicContact CD2-CB 3.72Å; Y991-K1001 HydrophobicContact CD2-CG 4.41Å; Y991-K1001 HydrophobicContact CE2-CB 3.68Å; Y991-K1001 WeakPolarHBondContact CE2-O 3.49Å; Y991-K1001 VanDerWaalsContact O-CD 3.31Å; Y991-K1001 WeakPolarHBondContact O-CD 3.39Å; Y991-K1001 WeakPolarHBondContact O-CE 3.44Å; Y991-K1001 PolarHBondContact O-NZ 3.4Å; L993-K1001 WeakPolarHBondContact O-CE 3.37Å; L993-K1001 PolarHBondContact O-NZ 3.42Å; L996-K1001 HydrophobicContact CB-CD 4.33Å; L996-K1001 HydrophobicContact CB-CG 3.82Å; L996-K1001 HydrophobicContact CD1-CG 4.45Å; L996-K1001 VanDerWaalsContact O-CE 3.25Å; L996-K1001 WeakPolarHBondContact O-CE 3.18Å; D997-K1001 VanDerWaalsContact O-CG 3.29Å; D997-K1001 WeakPolarHBondContact O-CG 3.43Å; D997-K1001 PolarHBondContact O-N 3.35Å; L998-K1001 HydrophobicContact CD2-CD 4.32Å; L998-K1001 WeakPolarHBondContact O-CB 3.31Å; L998-K1001 PolarHBondContact O-N 3.44Å; R999-K1001 VanDerWaalsContact C-N 3.34Å; R999-K1001 PolarHBondContact O-N 2.9Å; K1001-F1003 VanDerWaalsContact C-N 3.3Å; K1001-F1003 PolarHBondContact O-N 3.43Å; K1001-A1004 PolarHBondContact O-N 3.13Å; K1001-V1005 PolarHBondContact O-N 2.96Å; K1001-V1005 VanDerWaalsContact O-N 3.14Å |
| 1002 | H | 77.9 | Confident | 77 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.6 | -59.7 | -25.6 | 0 | 0 | 0 | 111 | L915 L918 Y991 L998 R999 V1005 F1006 L1044 | L915-H1002 PolarHBondContact O-CE1 3.48Å; L915-H1002 PolarHBondContact O-NE2 2.85Å; L918-H1002 HydrophobicContact CD2-CB 4.08Å; L918-H1002 WeakPolarHBondContact CD2-CD2 3.27Å; Y991-H1002 AromaticContact CE2-ND1 3.67Å; Y991-H1002 AromaticContact CZ-ND1 3.61Å; Y991-H1002 PolarHBondContact OH-CE1 3.43Å; Y991-H1002 PolarHBondContact OH-ND1 3Å; L998-H1002 PolarHBondContact O-CD2 3.34Å; L998-H1002 PolarHBondContact O-N 3.34Å; L998-H1002 PolarHBondContact O-ND1 3.2Å; L998-H1002 PolarHBondContact O-NE2 3.46Å; R999-H1002 PolarHBondContact O-N 3.01Å; H1002-V1005 PolarHBondContact O-N 2.83Å; H1002-F1006 PolarHBondContact O-N 3.3Å; H1002-L1044 HydrophobicContact CB-CD2 4.33Å |
| 1003 | F | 77.5 | Confident | 76.3 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 174.2 | -174.6 | -92.2 | 0 | 0 | 0 | 112.4 | F958 R999 K1001 V1005 F1006 Y1007 A1048 W1081 F1084 | F958-F1003 HydrophobicContact CD1-CE1 4.3Å; F958-F1003 HydrophobicContact CD2-CE1 4.33Å; F958-F1003 HydrophobicContact CE1-CD1 4.25Å; F958-F1003 AromaticContact CE1-CE1 3.74Å; F958-F1003 HydrophobicContact CE1-CE1 3.74Å; F958-F1003 HydrophobicContact CE2-CD1 4.3Å; F958-F1003 AromaticContact CE2-CE1 3.79Å; F958-F1003 HydrophobicContact CE2-CE1 3.79Å; F958-F1003 AromaticContact CZ-CD1 3.76Å; F958-F1003 HydrophobicContact CZ-CD1 3.76Å; F958-F1003 AromaticContact CZ-CE1 3.47Å; F958-F1003 HydrophobicContact CZ-CE1 3.47Å; F958-F1003 VanDerWaalsContact CZ-CE1 3.47Å; R999-F1003 WeakPolarHBondContact O-CB 3.24Å; R999-F1003 PolarHBondContact O-N 2.91Å; K1001-F1003 VanDerWaalsContact C-N 3.3Å; K1001-F1003 PolarHBondContact O-N 3.43Å; F1003-V1005 VanDerWaalsContact C-N 3.35Å; F1003-V1005 PolarHBondContact O-N 3.29Å; F1003-F1006 PolarHBondContact O-N 3.31Å; F1003-Y1007 HydrophobicContact CE1-CD2 4.48Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.32Å; F1003-Y1007 PolarHBondContact O-N 2.86Å; F1003-A1048 HydrophobicContact CD2-CB 4.07Å; F1003-A1048 HydrophobicContact CE2-CB 3.64Å; F1003-A1048 VanDerWaalsContact CE2-N 3.34Å; F1003-A1048 HydrophobicContact CZ-CB 4.16Å; F1003-W1081 AromaticContact CD2-CH2 3.46Å; F1003-W1081 HydrophobicContact CD2-CH2 3.46Å; F1003-W1081 VanDerWaalsContact CD2-CH2 3.46Å; F1003-W1081 AromaticContact CD2-CZ2 3.79Å; F1003-W1081 HydrophobicContact CD2-CZ2 3.79Å; F1003-W1081 AromaticContact CE2-CH2 3.3Å; F1003-W1081 HydrophobicContact CE2-CH2 3.3Å; F1003-W1081 AromaticContact CE2-CZ2 3.9Å; F1003-W1081 HydrophobicContact CE2-CZ2 3.9Å; F1003-W1081 HydrophobicContact CE2-CZ3 4.26Å; F1003-W1081 HydrophobicContact CG-CH2 4.15Å; F1003-W1081 AromaticContact CZ-CH2 3.93Å; F1003-W1081 HydrophobicContact CZ-CH2 3.93Å; F1003-F1084 HydrophobicContact CD1-CZ 4.24Å; F1003-F1084 HydrophobicContact CE1-CZ 4.36Å |
| 1004 | A | 79.3 | Confident | 75.6 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F962 F979 T1000 K1001 V1008 | F962-A1004 HydrophobicContact CE1-CB 3.86Å; F962-A1004 HydrophobicContact CE2-CB 4.35Å; F962-A1004 HydrophobicContact CZ-CB 3.61Å; F979-A1004 HydrophobicContact CE2-CB 3.9Å; F979-A1004 HydrophobicContact CZ-CB 4.12Å; F979-A1004 WeakPolarHBondContact CZ-O 3.14Å; T1000-A1004 WeakPolarHBondContact O-CB 3.48Å; T1000-A1004 PolarHBondContact O-N 2.87Å; K1001-A1004 PolarHBondContact O-N 3.13Å; A1004-V1008 VanDerWaalsContact O-CG2 3.29Å; A1004-V1008 WeakPolarHBondContact O-CG2 3.16Å; A1004-V1008 PolarHBondContact O-N 3.26Å |
| 1005 | V | 78.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.1 | -46.8 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V922 F926 L987 Y991 K1001 H1002 F1003 Y1007 V1008 L1009 F1032 | V922-V1005 HydrophobicContact CG1-CG1 4.45Å; F926-V1005 HydrophobicContact CE2-CG1 4.25Å; F926-V1005 HydrophobicContact CE2-CG2 4.05Å; F926-V1005 HydrophobicContact CZ-CG1 4.12Å; F926-V1005 HydrophobicContact CZ-CG2 4.06Å; L987-V1005 HydrophobicContact CD1-CG2 4.15Å; L987-V1005 HydrophobicContact CD2-CG2 4.46Å; L987-V1005 HydrophobicContact CG-CG2 4.24Å; Y991-V1005 HydrophobicContact CD2-CB 4.47Å; Y991-V1005 HydrophobicContact CD2-CG2 3.3Å; Y991-V1005 HydrophobicContact CE2-CG2 3.74Å; Y991-V1005 HydrophobicContact CG-CG2 3.98Å; K1001-V1005 PolarHBondContact O-N 2.96Å; K1001-V1005 VanDerWaalsContact O-N 3.14Å; H1002-V1005 PolarHBondContact O-N 2.83Å; F1003-V1005 VanDerWaalsContact C-N 3.35Å; F1003-V1005 PolarHBondContact O-N 3.29Å; V1005-Y1007 PolarHBondContact O-N 3.39Å; V1005-V1008 PolarHBondContact O-N 3.45Å; V1005-L1009 HydrophobicContact CG1-CD1 4.14Å; V1005-L1009 HydrophobicContact CG1-CG 4.47Å; V1005-L1009 WeakPolarHBondContact O-CG 3.42Å; V1005-L1009 PolarHBondContact O-N 3.4Å; V1005-F1032 HydrophobicContact CG1-CE2 4.08Å; V1005-F1032 HydrophobicContact CG1-CZ 4.18Å |
| 1006 | F | 75.7 | Confident | 74.6 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | -178.2 | -170.6 | -117.6 | 0 | 0 | 0 | 112.7 | H1002 F1003 V1008 L1009 L1010 F1032 L1037 A1045 A1048 | H1002-F1006 PolarHBondContact O-N 3.3Å; F1003-F1006 PolarHBondContact O-N 3.31Å; F1006-V1008 PolarHBondContact O-N 3.45Å; F1006-L1009 PolarHBondContact O-N 3.15Å; F1006-L1010 HydrophobicContact CD1-CD1 3.8Å; F1006-L1010 HydrophobicContact CD1-CG 4.47Å; F1006-L1010 HydrophobicContact CE1-CD1 3.3Å; F1006-L1010 HydrophobicContact CE1-CG 4.03Å; F1006-L1010 HydrophobicContact CE2-CD1 4.34Å; F1006-L1010 HydrophobicContact CE2-CG 4.18Å; F1006-L1010 HydrophobicContact CG-CD1 4.49Å; F1006-L1010 HydrophobicContact CZ-CD1 3.61Å; F1006-L1010 HydrophobicContact CZ-CD2 4.1Å; F1006-L1010 HydrophobicContact CZ-CG 3.86Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 3.37Å; F1006-F1032 HydrophobicContact CB-CE1 4.04Å; F1006-F1032 HydrophobicContact CB-CZ 4.38Å; F1006-F1032 AromaticContact CD2-CD1 3.52Å; F1006-F1032 HydrophobicContact CD2-CD1 3.52Å; F1006-F1032 AromaticContact CD2-CE1 3.43Å; F1006-F1032 HydrophobicContact CD2-CE1 3.43Å; F1006-F1032 VanDerWaalsContact CD2-CE1 3.43Å; F1006-F1032 HydrophobicContact CD2-CG 4.45Å; F1006-F1032 HydrophobicContact CD2-CZ 4.31Å; F1006-F1032 AromaticContact CE2-CD1 3.92Å; F1006-F1032 HydrophobicContact CE2-CD1 3.92Å; F1006-F1032 HydrophobicContact CE2-CE1 4.26Å; F1006-F1032 HydrophobicContact CG-CE1 4.04Å; F1006-L1037 HydrophobicContact CE1-CD1 4.16Å; F1006-L1037 HydrophobicContact CE2-CD1 3.82Å; F1006-L1037 HydrophobicContact CZ-CD1 3.62Å; F1006-A1045 HydrophobicContact CD1-CB 4.37Å; F1006-A1045 HydrophobicContact CE1-CB 3.57Å; F1006-A1045 HydrophobicContact CZ-CB 4.11Å; F1006-A1048 HydrophobicContact CD1-CB 3.61Å; F1006-A1048 HydrophobicContact CE1-CB 4.1Å |
| 1007 | Y | 82.2 | Confident | 73.6 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55 | -49.5 | 169.3 | -179.2 | -76.2 | 0 | 0 | 0 | 111 | F958 A959 F979 F1003 V1005 L1009 L1010 E1011 I1052 D1055 | F958-Y1007 AromaticContact CD1-CD2 3.66Å; F958-Y1007 HydrophobicContact CD1-CD2 3.66Å; F958-Y1007 AromaticContact CD1-CE2 3.52Å; F958-Y1007 HydrophobicContact CD1-CE2 3.52Å; F958-Y1007 HydrophobicContact CD1-CG 4.26Å; F958-Y1007 AromaticContact CE1-CD2 3.89Å; F958-Y1007 HydrophobicContact CE1-CD2 3.89Å; F958-Y1007 HydrophobicContact CE1-CE2 4.2Å; F958-Y1007 HydrophobicContact CE1-CG 4.11Å; F958-Y1007 HydrophobicContact CG-CE2 4.4Å; A959-Y1007 HydrophobicContact CB-CE1 4.42Å; F979-Y1007 AromaticContact CE1-CD1 3.51Å; F979-Y1007 HydrophobicContact CE1-CD1 3.51Å; F979-Y1007 AromaticContact CE1-CE1 3.82Å; F979-Y1007 HydrophobicContact CE1-CE1 3.82Å; F979-Y1007 HydrophobicContact CE1-CG 4.19Å; F979-Y1007 AromaticContact CZ-CD1 3.74Å; F979-Y1007 HydrophobicContact CZ-CD1 3.74Å; F979-Y1007 HydrophobicContact CZ-CE1 4.48Å; F979-Y1007 HydrophobicContact CZ-CG 4.25Å; F1003-Y1007 HydrophobicContact CE1-CD2 4.48Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.32Å; F1003-Y1007 PolarHBondContact O-N 2.86Å; V1005-Y1007 PolarHBondContact O-N 3.39Å; Y1007-L1009 PolarHBondContact O-N 2.96Å; Y1007-L1010 PolarHBondContact O-N 3.48Å; Y1007-E1011 HydrophobicContact CD1-CB 4.35Å; Y1007-E1011 HydrophobicContact CE1-CB 4.09Å; Y1007-E1011 HydrophobicContact CE1-CG 4.26Å; Y1007-E1011 VanDerWaalsContact O-CB 3.26Å; Y1007-E1011 WeakPolarHBondContact O-CB 3.26Å; Y1007-E1011 PolarHBondContact O-N 3.38Å; Y1007-I1052 HydrophobicContact CD2-CD1 4.21Å; Y1007-I1052 HydrophobicContact CD2-CG1 3.59Å; Y1007-I1052 HydrophobicContact CE2-CB 4.4Å; Y1007-I1052 HydrophobicContact CE2-CD1 4.4Å; Y1007-I1052 HydrophobicContact CE2-CG1 3.38Å; Y1007-I1052 HydrophobicContact CG-CD1 4.46Å; Y1007-I1052 HydrophobicContact CG-CG1 4.25Å; Y1007-D1055 WeakPolarHBondContact OH-CB 3.34Å; Y1007-D1055 PolarHBondContact OH-OD2 3.37Å |
| 1008 | V | 78.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 6% | 0.055 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | -178 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | F979 P980 L987 A1004 V1005 F1006 K1012 | F979-V1008 HydrophobicContact CD2-CG2 4.31Å; F979-V1008 HydrophobicContact CE1-CG2 4.31Å; F979-V1008 HydrophobicContact CE2-CG2 3.44Å; F979-V1008 VanDerWaalsContact CE2-CG2 3.44Å; F979-V1008 HydrophobicContact CZ-CG2 3.46Å; F979-V1008 VanDerWaalsContact CZ-CG2 3.46Å; P980-V1008 HydrophobicContact CB-CG2 3.96Å; L987-V1008 HydrophobicContact CD1-CB 4.28Å; L987-V1008 HydrophobicContact CD1-CG1 4.49Å; L987-V1008 HydrophobicContact CD1-CG2 4.03Å; L987-V1008 HydrophobicContact CD2-CB 4.16Å; L987-V1008 HydrophobicContact CD2-CG1 3.93Å; A1004-V1008 VanDerWaalsContact O-CG2 3.29Å; A1004-V1008 WeakPolarHBondContact O-CG2 3.16Å; A1004-V1008 PolarHBondContact O-N 3.26Å; V1005-V1008 PolarHBondContact O-N 3.45Å; F1006-V1008 PolarHBondContact O-N 3.45Å; V1008-K1012 HydrophobicContact CG1-CG 4.25Å; V1008-K1012 WeakPolarHBondContact O-CB 3.47Å; V1008-K1012 WeakPolarHBondContact O-CG 3.45Å; V1008-K1012 PolarHBondContact O-N 3.03Å |
| 1009 | L | 73.2 | Confident | 71.8 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.5 | -68.8 | 176.3 | 0 | 0 | 0 | 112 | W925 V1005 F1006 Y1007 L1013 L1028 F1032 | W925-L1009 HydrophobicContact CH2-CD2 4.45Å; V1005-L1009 HydrophobicContact CG1-CD1 4.14Å; V1005-L1009 HydrophobicContact CG1-CG 4.47Å; V1005-L1009 WeakPolarHBondContact O-CG 3.42Å; V1005-L1009 PolarHBondContact O-N 3.4Å; F1006-L1009 PolarHBondContact O-N 3.15Å; Y1007-L1009 PolarHBondContact O-N 2.96Å; L1009-L1013 PolarHBondContact O-N 2.91Å; L1009-L1028 HydrophobicContact CD2-CD2 3.83Å; L1009-F1032 HydrophobicContact CD1-CD2 3.48Å; L1009-F1032 VanDerWaalsContact CD1-CD2 3.48Å; L1009-F1032 HydrophobicContact CD1-CE2 3.53Å; L1009-F1032 HydrophobicContact CD1-CG 4.09Å; L1009-F1032 HydrophobicContact CD1-CZ 4.17Å |
| 1010 | L | 72.8 | Confident | 70.8 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 175.7 | -74.5 | 174.3 | 0 | 0 | 0 | 112.4 | F1006 Y1007 K1012 L1013 V1014 V1029 A1048 W1049 I1052 | F1006-L1010 HydrophobicContact CD1-CD1 3.8Å; F1006-L1010 HydrophobicContact CD1-CG 4.47Å; F1006-L1010 HydrophobicContact CE1-CD1 3.3Å; F1006-L1010 HydrophobicContact CE1-CG 4.03Å; F1006-L1010 HydrophobicContact CE2-CD1 4.34Å; F1006-L1010 HydrophobicContact CE2-CG 4.18Å; F1006-L1010 HydrophobicContact CG-CD1 4.49Å; F1006-L1010 HydrophobicContact CZ-CD1 3.61Å; F1006-L1010 HydrophobicContact CZ-CD2 4.1Å; F1006-L1010 HydrophobicContact CZ-CG 3.86Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 3.37Å; Y1007-L1010 PolarHBondContact O-N 3.48Å; L1010-K1012 VanDerWaalsContact C-N 3.32Å; L1010-K1012 PolarHBondContact O-N 3.34Å; L1010-L1013 WeakPolarHBondContact O-CA 3.16Å; L1010-L1013 VanDerWaalsContact O-CB 3.29Å; L1010-L1013 WeakPolarHBondContact O-CB 3.4Å; L1010-L1013 PolarHBondContact O-N 3.22Å; L1010-L1013 VanDerWaalsContact O-N 3.08Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.46Å; L1010-V1014 PolarHBondContact O-N 3.47Å; L1010-V1029 HydrophobicContact CD2-CG1 4.34Å; L1010-A1048 HydrophobicContact CD1-CB 4.28Å; L1010-W1049 HydrophobicContact CD1-CE3 4.22Å; L1010-W1049 HydrophobicContact CD2-CE3 4.44Å; L1010-I1052 HydrophobicContact CB-CD1 3.3Å; L1010-I1052 HydrophobicContact CD1-CD1 4Å; L1010-I1052 HydrophobicContact CG-CD1 4.32Å |
| 1011 | E | 76.1 | Confident | 69.6 | Low | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.5 | -176.5 | 64.9 | -173 | 0 | 0 | 111.3 | Y1007 L1013 V1014 H1015 H1056 | Y1007-E1011 HydrophobicContact CD1-CB 4.35Å; Y1007-E1011 HydrophobicContact CE1-CB 4.09Å; Y1007-E1011 HydrophobicContact CE1-CG 4.26Å; Y1007-E1011 VanDerWaalsContact O-CB 3.26Å; Y1007-E1011 WeakPolarHBondContact O-CB 3.26Å; Y1007-E1011 PolarHBondContact O-N 3.38Å; E1011-L1013 VanDerWaalsContact C-N 3.34Å; E1011-V1014 PolarHBondContact O-N 3.34Å; E1011-H1015 PolarHBondContact O-CD2 3.32Å; E1011-H1015 PolarHBondContact O-N 3.28Å; E1011-H1015 IonicContact OE1-CD2 3.17Å; E1011-H1015 PolarHBondContact OE1-CD2 2.88Å; E1011-H1015 IonicContact OE1-CE1 2.82Å; E1011-H1015 IonicContact OE1-NE2 2.72Å; E1011-H1015 PolarHBondContact OE1-NE2 3.09Å; E1011-H1056 IonicContact OE1-CE1 3.11Å; E1011-H1056 PolarHBondContact OE1-CE1 2.86Å; E1011-H1056 IonicContact OE1-NE2 3.22Å; E1011-H1056 PolarHBondContact OE1-NE2 3.44Å; E1011-H1056 IonicContact OE2-CD2 3.25Å; E1011-H1056 IonicContact OE2-CE1 3.48Å; E1011-H1056 IonicContact OE2-NE2 2.67Å; E1011-H1056 PolarHBondContact OE2-NE2 3.12Å |
| 1012 | K | 70.9 | Confident | 68.5 | Low | 77 Ų | 77 | 36.9 Ų | 36.9 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.2 | -25.9 | 173.2 | -67.1 | -64.5 | -177.5 | -173.9 | 0 | 113.2 | V1008 L1010 C1016 M1025 | V1008-K1012 HydrophobicContact CG1-CG 4.25Å; V1008-K1012 WeakPolarHBondContact O-CB 3.47Å; V1008-K1012 WeakPolarHBondContact O-CG 3.45Å; V1008-K1012 PolarHBondContact O-N 3.03Å; L1010-K1012 VanDerWaalsContact C-N 3.32Å; L1010-K1012 PolarHBondContact O-N 3.34Å; K1012-C1016 WeakPolarHBondContact O-CB 3.41Å; K1012-M1025 HydrophobicContact CB-CE 3.74Å |
| 1013 | L | 67.6 | Low | 67.7 | Low | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 168.8 | -171.6 | 76.9 | 0 | 0 | 0 | 110.6 | L1009 L1010 E1011 H1015 C1016 M1025 V1029 L1218 V1222 | L1009-L1013 PolarHBondContact O-N 2.91Å; L1010-L1013 WeakPolarHBondContact O-CA 3.16Å; L1010-L1013 VanDerWaalsContact O-CB 3.29Å; L1010-L1013 WeakPolarHBondContact O-CB 3.4Å; L1010-L1013 PolarHBondContact O-N 3.22Å; L1010-L1013 VanDerWaalsContact O-N 3.08Å; E1011-L1013 VanDerWaalsContact C-N 3.34Å; L1013-H1015 PolarHBondContact O-N 3.33Å; L1013-C1016 WeakPolarHBondContact O-CB 3.05Å; L1013-C1016 PolarHBondContact O-N 3.18Å; L1013-M1025 HydrophobicContact CD1-CB 3.59Å; L1013-V1029 HydrophobicContact CD2-CG2 4.47Å; L1013-L1218 HydrophobicContact CD2-CD2 4.2Å; L1013-L1218 HydrophobicContact CG-CD2 3.96Å; L1013-V1222 HydrophobicContact CD2-CG2 4.08Å |
| 1014 | V | 66.1 | Low | 66.6 | Low | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | -178.6 | 168.6 | 0 | 0 | 0 | 0 | 113 | L1010 E1011 W1049 V1214 L1218 | L1010-V1014 WeakPolarHBondContact O-CG2 3.46Å; L1010-V1014 PolarHBondContact O-N 3.47Å; E1011-V1014 PolarHBondContact O-N 3.34Å; V1014-W1049 HydrophobicContact CG2-CH2 4.2Å; V1014-W1049 HydrophobicContact CG2-CZ3 4.05Å; V1014-V1214 WeakPolarHBondContact O-CG1 3.48Å; V1014-L1218 HydrophobicContact CB-CD1 4.44Å; V1014-L1218 HydrophobicContact CG1-CD1 4.48Å; V1014-L1218 HydrophobicContact CG2-CD2 4.36Å; V1014-L1218 WeakPolarHBondContact O-CD1 3.39Å |
| 1015 | H | 65.3 | Low | 65.7 | Low | 104 Ų | 104 | 49.9 Ų | 49.9 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 19.6 | 179.5 | -57.5 | -66.6 | 0 | 0 | 0 | 114.4 | E1011 L1013 E1017 H1056 | E1011-H1015 PolarHBondContact O-CD2 3.32Å; E1011-H1015 PolarHBondContact O-N 3.28Å; E1011-H1015 IonicContact OE1-CD2 3.17Å; E1011-H1015 PolarHBondContact OE1-CD2 2.88Å; E1011-H1015 IonicContact OE1-CE1 2.82Å; E1011-H1015 IonicContact OE1-NE2 2.72Å; E1011-H1015 PolarHBondContact OE1-NE2 3.09Å; L1013-H1015 PolarHBondContact O-N 3.33Å; H1015-E1017 PolarHBondContact O-N 3.01Å; H1015-H1056 AromaticContact CE1-CE1 3.68Å; H1015-H1056 AromaticContact NE2-CE1 3.6Å |
| 1016 | C | 63.2 | Low | 64.9 | Low | 22 Ų | 22 | 50.3 Ų | 50.3 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | trans | -92.1 | 85 | -174.3 | -173.6 | 0 | 0 | 0 | 0 | 113.5 | K1012 L1013 C1018 S1021 S1022 | K1012-C1016 WeakPolarHBondContact O-CB 3.41Å; L1013-C1016 WeakPolarHBondContact O-CB 3.05Å; L1013-C1016 PolarHBondContact O-N 3.18Å; C1016-C1018 VanDerWaalsContact C-N 3.32Å; C1016-C1018 PolarHBondContact O-N 2.94Å; C1016-S1021 WeakPolarHBondContact SG-CB 3.39Å; C1016-S1022 PolarHBondContact SG-N 3.34Å | ||
| 1017 | E | 55.4 | Low | 64.1 | Low | 171 Ų | 171 | 54.6 Ų | 54.6 | 80% | 0.799 | 27% | 0.269 | S | S | * | . | trans | -64.7 | -22.9 | -175.9 | -61.6 | -175.8 | 165.4 | 0 | 0 | 115.8 | H1015 | H1015-E1017 PolarHBondContact O-N 3.01Š| ||
| 1018 | C | 58.9 | Low | 63 | Low | 60 Ų | 60 | 55.1 Ų | 55.1 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -91.5 | 121 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | C1016 N1020 S1021 S1022 | C1016-C1018 VanDerWaalsContact C-N 3.32Å; C1016-C1018 PolarHBondContact O-N 2.94Å; C1018-N1020 PolarHBondContact O-N 3.38Å; C1018-S1021 CarbonylContact O-C 3.59Å; C1018-S1021 PolarHBondContact O-N 3.48Å; C1018-S1022 PolarHBondContact O-N 3.1Å |
| 1019 | D | 57.3 | Low | 62.4 | Low | 111 Ų | 111 | 54.7 Ų | 54.7 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.4 | -42.1 | -176.9 | -92.5 | -46.2 | 0 | 0 | 0 | 114.2 | S1021 S1022 R1023 K1221 | D1019-S1021 VanDerWaalsContact C-N 3.34Å; D1019-S1021 PolarHBondContact O-N 2.91Å; D1019-S1022 WeakPolarHBondContact CA-OG 3.21Å; D1019-S1022 PolarHBondContact O-N 2.85Å; D1019-S1022 PolarHBondContact O-OG 2.94Å; D1019-R1023 WeakPolarHBondContact O-CB 3.26Å; D1019-R1023 PolarHBondContact O-N 3.03Å; D1019-K1221 IonicContact OD1-NZ 3.61Å; D1019-K1221 PolarHBondContact OD1-NZ 2.94Å |
| 1020 | N | 51.8 | Low | 61.9 | Low | 126 Ų | 126 | 55.7 Ų | 55.7 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 175.8 | -82.6 | -9.6 | 0 | 0 | 0 | 112.1 | C1018 S1022 R1023 Q1024 | C1018-N1020 PolarHBondContact O-N 3.38Å; N1020-S1022 VanDerWaalsContact C-N 3.35Å; N1020-R1023 PolarHBondContact O-N 2.57Å; N1020-Q1024 WeakPolarHBondContact O-CG 3.43Å; N1020-Q1024 PolarHBondContact O-N 2.99Å |
| 1021 | S | 53.6 | Low | 61.1 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | C1016 C1018 D1019 R1023 Q1024 M1025 | C1016-S1021 WeakPolarHBondContact SG-CB 3.39Å; C1018-S1021 CarbonylContact O-C 3.59Å; C1018-S1021 PolarHBondContact O-N 3.48Å; D1019-S1021 VanDerWaalsContact C-N 3.34Å; D1019-S1021 PolarHBondContact O-N 2.91Å; S1021-R1023 VanDerWaalsContact C-N 3.3Å; S1021-R1023 PolarHBondContact O-N 2.98Å; S1021-Q1024 PolarHBondContact O-N 2.83Å; S1021-M1025 WeakPolarHBondContact O-CB 3.32Å; S1021-M1025 WeakPolarHBondContact O-CG 3.33Å; S1021-M1025 PolarHBondContact O-N 3.42Å |
| 1022 | S | 56.9 | Low | 60.4 | Low | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 175.5 | 87.1 | 0 | 0 | 0 | 0 | 110.9 | C1016 C1018 D1019 N1020 A1026 K1221 | C1016-S1022 PolarHBondContact SG-N 3.34Å; C1018-S1022 PolarHBondContact O-N 3.1Å; D1019-S1022 WeakPolarHBondContact CA-OG 3.21Å; D1019-S1022 PolarHBondContact O-N 2.85Å; D1019-S1022 PolarHBondContact O-OG 2.94Å; N1020-S1022 VanDerWaalsContact C-N 3.35Å; S1022-A1026 WeakPolarHBondContact O-CB 3.49Å; S1022-A1026 PolarHBondContact O-N 3.02Å; S1022-K1221 PolarHBondContact OG-NZ 3.48Å |
| 1023 | R | 60.8 | Low | 60 | Low | 164 Ų | 164 | 56 Ų | 56 | 62% | 0.619 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.9 | -43.5 | 174.4 | -178.5 | 174.2 | 176 | 152.9 | 5.8 | 112 | D1019 N1020 S1021 A1026 E1027 | D1019-R1023 WeakPolarHBondContact O-CB 3.26Å; D1019-R1023 PolarHBondContact O-N 3.03Å; N1020-R1023 PolarHBondContact O-N 2.57Å; S1021-R1023 VanDerWaalsContact C-N 3.3Å; S1021-R1023 PolarHBondContact O-N 2.98Å; R1023-A1026 WeakPolarHBondContact O-CB 3.47Å; R1023-A1026 PolarHBondContact O-N 3.46Å; R1023-E1027 HydrophobicContact CG-CG 4.46Å; R1023-E1027 WeakPolarHBondContact CG-OE1 3.29Å; R1023-E1027 IonicContact CZ-OE1 3.79Å; R1023-E1027 IonicContact NE-OE1 3.19Å; R1023-E1027 PolarHBondContact NE-OE1 3.26Å; R1023-E1027 IonicContact NH2-OE1 2.79Å; R1023-E1027 PolarHBondContact NH2-OE1 3.04Å; R1023-E1027 WeakPolarHBondContact O-CB 3.44Å; R1023-E1027 WeakPolarHBondContact O-CG 3.41Å; R1023-E1027 PolarHBondContact O-N 3.25Å |
| 1024 | Q | 55.3 | Low | 59.6 | Low | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.9 | -73.1 | 176.9 | -19.7 | 0 | 0 | 111.6 | N1020 S1021 A1026 L1028 | N1020-Q1024 WeakPolarHBondContact O-CG 3.43Å; N1020-Q1024 PolarHBondContact O-N 2.99Å; S1021-Q1024 PolarHBondContact O-N 2.83Å; Q1024-A1026 VanDerWaalsContact C-N 3.34Å; Q1024-L1028 WeakPolarHBondContact O-CB 3.47Å; Q1024-L1028 PolarHBondContact O-N 2.95Å |
| 1025 | M | 60.4 | Low | 59.2 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67 | -32.8 | 174.8 | -74.9 | -69.1 | -68.4 | 0 | 0 | 112.7 | I937 K1012 L1013 S1021 L1028 V1029 | I937-M1025 HydrophobicContact CD1-SD 3.88Å; K1012-M1025 HydrophobicContact CB-CE 3.74Å; L1013-M1025 HydrophobicContact CD1-CB 3.59Å; S1021-M1025 WeakPolarHBondContact O-CB 3.32Å; S1021-M1025 WeakPolarHBondContact O-CG 3.33Å; S1021-M1025 PolarHBondContact O-N 3.42Å; M1025-L1028 WeakPolarHBondContact O-CB 3.47Å; M1025-L1028 PolarHBondContact O-N 3.11Å; M1025-L1028 HydrophobicContact SD-CD2 4.42Å; M1025-V1029 WeakPolarHBondContact O-CB 3.24Å; M1025-V1029 WeakPolarHBondContact O-CG2 3.27Å; M1025-V1029 PolarHBondContact O-N 2.84Å |
| 1026 | A | 60.6 | Low | 58.7 | Low | 11 Ų | 11 | 61.2 Ų | 61.2 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.5 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1022 R1023 Q1024 L1028 V1029 N1030 L1225 | S1022-A1026 WeakPolarHBondContact O-CB 3.49Å; S1022-A1026 PolarHBondContact O-N 3.02Å; R1023-A1026 WeakPolarHBondContact O-CB 3.47Å; R1023-A1026 PolarHBondContact O-N 3.46Å; Q1024-A1026 VanDerWaalsContact C-N 3.34Å; A1026-L1028 PolarHBondContact O-N 3.44Å; A1026-V1029 PolarHBondContact O-N 2.92Å; A1026-N1030 VanDerWaalsContact O-CB 3.28Å; A1026-N1030 WeakPolarHBondContact O-CB 3.12Å; A1026-N1030 PolarHBondContact O-N 3.14Å; A1026-L1225 HydrophobicContact CB-CD1 3.31Å; A1026-L1225 HydrophobicContact CB-CD2 3.7Å; A1026-L1225 HydrophobicContact CB-CG 4.14Å |
| 1027 | E | 58.7 | Low | 58.4 | Low | 93 Ų | 93 | 60.7 Ų | 60.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 172.3 | -72.4 | 168.1 | -176.6 | 0 | 0 | 110.3 | R1023 L1031 | R1023-E1027 HydrophobicContact CG-CG 4.46Å; R1023-E1027 WeakPolarHBondContact CG-OE1 3.29Å; R1023-E1027 IonicContact CZ-OE1 3.79Å; R1023-E1027 IonicContact NE-OE1 3.19Å; R1023-E1027 PolarHBondContact NE-OE1 3.26Å; R1023-E1027 IonicContact NH2-OE1 2.79Å; R1023-E1027 PolarHBondContact NH2-OE1 3.04Å; R1023-E1027 WeakPolarHBondContact O-CB 3.44Å; R1023-E1027 WeakPolarHBondContact O-CG 3.41Å; R1023-E1027 PolarHBondContact O-N 3.25Å; E1027-L1031 VanDerWaalsContact O-CB 3.31Å; E1027-L1031 WeakPolarHBondContact O-CB 3.4Å; E1027-L1031 WeakPolarHBondContact O-CG 3.46Å; E1027-L1031 PolarHBondContact O-N 2.98Å |
| 1028 | L | 59.6 | Low | 58.4 | Low | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69 | -47.1 | 173.2 | -160.6 | 98.4 | 0 | 0 | 0 | 114 | W925 L933 L1009 Q1024 M1025 A1026 N1030 L1031 F1032 | W925-L1028 HydrophobicContact CH2-CD2 4.4Å; W925-L1028 HydrophobicContact CZ2-CD1 3.83Å; W925-L1028 HydrophobicContact CZ2-CD2 3.82Å; W925-L1028 HydrophobicContact CZ2-CG 4.2Å; L933-L1028 HydrophobicContact CD1-CD1 3.77Å; L933-L1028 HydrophobicContact CD2-CD1 3.97Å; L933-L1028 HydrophobicContact CD2-CD2 3.77Å; L933-L1028 HydrophobicContact CD2-CG 4.5Å; L933-L1028 HydrophobicContact CG-CD1 4.31Å; L1009-L1028 HydrophobicContact CD2-CD2 3.83Å; Q1024-L1028 WeakPolarHBondContact O-CB 3.47Å; Q1024-L1028 PolarHBondContact O-N 2.95Å; M1025-L1028 WeakPolarHBondContact O-CB 3.47Å; M1025-L1028 PolarHBondContact O-N 3.11Å; M1025-L1028 HydrophobicContact SD-CD2 4.42Å; A1026-L1028 PolarHBondContact O-N 3.44Å; L1028-N1030 VanDerWaalsContact C-N 3.29Å; L1028-N1030 PolarHBondContact O-N 3.47Å; L1028-L1031 WeakPolarHBondContact O-CB 3.44Å; L1028-L1031 PolarHBondContact O-N 2.9Å; L1028-F1032 WeakPolarHBondContact O-CB 3.34Å; L1028-F1032 PolarHBondContact O-N 2.97Å |
| 1029 | V | 64.9 | Low | 58 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 178.6 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | L1010 L1013 M1025 A1026 F1032 E1033 L1226 | L1010-V1029 HydrophobicContact CD2-CG1 4.34Å; L1013-V1029 HydrophobicContact CD2-CG2 4.47Å; M1025-V1029 WeakPolarHBondContact O-CB 3.24Å; M1025-V1029 WeakPolarHBondContact O-CG2 3.27Å; M1025-V1029 PolarHBondContact O-N 2.84Å; A1026-V1029 PolarHBondContact O-N 2.92Å; V1029-F1032 WeakPolarHBondContact O-CB 3.36Å; V1029-F1032 PolarHBondContact O-N 3.41Å; V1029-E1033 WeakPolarHBondContact O-CB 3.5Å; V1029-E1033 PolarHBondContact O-N 3.21Å; V1029-L1226 HydrophobicContact CG1-CD1 4.03Å |
| 1030 | N | 63.4 | Low | 57.8 | Low | 31 Ų | 31 | 54.2 Ų | 54.2 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.1 | -33.2 | 174 | -168.9 | -88.4 | 0 | 0 | 0 | 112.5 | A1026 L1028 E1033 K1034 L1225 | A1026-N1030 VanDerWaalsContact O-CB 3.28Å; A1026-N1030 WeakPolarHBondContact O-CB 3.12Å; A1026-N1030 PolarHBondContact O-N 3.14Å; L1028-N1030 VanDerWaalsContact C-N 3.29Å; L1028-N1030 PolarHBondContact O-N 3.47Å; N1030-E1033 PolarHBondContact ND2-OE2 2.79Å; N1030-K1034 WeakPolarHBondContact O-CB 3.34Å; N1030-K1034 WeakPolarHBondContact O-CG 3.36Å; N1030-K1034 PolarHBondContact O-N 3.28Å; N1030-K1034 WeakPolarHBondContact OD1-CD 3.37Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.26Å; N1030-K1034 PolarHBondContact OD1-NZ 3.26Å; N1030-L1225 PolarHBondContact ND2-O 2.87Å |
| 1031 | L | 55.7 | Low | 58.3 | Low | 86 Ų | 86 | 49.7 Ų | 49.7 | 45% | 0.45 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 166.3 | -91 | 162.9 | 0 | 0 | 0 | 111.5 | E1027 L1028 K1034 Q1035 | E1027-L1031 VanDerWaalsContact O-CB 3.31Å; E1027-L1031 WeakPolarHBondContact O-CB 3.4Å; E1027-L1031 WeakPolarHBondContact O-CG 3.46Å; E1027-L1031 PolarHBondContact O-N 2.98Å; L1028-L1031 WeakPolarHBondContact O-CB 3.44Å; L1028-L1031 PolarHBondContact O-N 2.9Å; L1031-K1034 PolarHBondContact O-N 2.87Å; L1031-Q1035 VanDerWaalsContact O-CB 3.23Å; L1031-Q1035 WeakPolarHBondContact O-CB 3.19Å; L1031-Q1035 VanDerWaalsContact O-CG 3.28Å; L1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; L1031-Q1035 PolarHBondContact O-N 3.28Å |
| 1032 | F | 63 | Low | 58.7 | Low | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 175.9 | -160 | -83.8 | 0 | 0 | 0 | 110.2 | V922 V1005 F1006 L1009 L1028 V1029 K1034 Q1035 I1036 L1037 | V922-F1032 HydrophobicContact CG2-CE2 4.33Å; V922-F1032 HydrophobicContact CG2-CZ 4.43Å; V1005-F1032 HydrophobicContact CG1-CE2 4.08Å; V1005-F1032 HydrophobicContact CG1-CZ 4.18Å; F1006-F1032 HydrophobicContact CB-CE1 4.04Å; F1006-F1032 HydrophobicContact CB-CZ 4.38Å; F1006-F1032 AromaticContact CD2-CD1 3.52Å; F1006-F1032 HydrophobicContact CD2-CD1 3.52Å; F1006-F1032 AromaticContact CD2-CE1 3.43Å; F1006-F1032 HydrophobicContact CD2-CE1 3.43Å; F1006-F1032 VanDerWaalsContact CD2-CE1 3.43Å; F1006-F1032 HydrophobicContact CD2-CG 4.45Å; F1006-F1032 HydrophobicContact CD2-CZ 4.31Å; F1006-F1032 AromaticContact CE2-CD1 3.92Å; F1006-F1032 HydrophobicContact CE2-CD1 3.92Å; F1006-F1032 HydrophobicContact CE2-CE1 4.26Å; F1006-F1032 HydrophobicContact CG-CE1 4.04Å; L1009-F1032 HydrophobicContact CD1-CD2 3.48Å; L1009-F1032 VanDerWaalsContact CD1-CD2 3.48Å; L1009-F1032 HydrophobicContact CD1-CE2 3.53Å; L1009-F1032 HydrophobicContact CD1-CG 4.09Å; L1009-F1032 HydrophobicContact CD1-CZ 4.17Å; L1028-F1032 WeakPolarHBondContact O-CB 3.34Å; L1028-F1032 PolarHBondContact O-N 2.97Å; V1029-F1032 WeakPolarHBondContact O-CB 3.36Å; V1029-F1032 PolarHBondContact O-N 3.41Å; F1032-K1034 VanDerWaalsContact C-N 3.35Å; F1032-K1034 PolarHBondContact O-N 2.94Å; F1032-Q1035 PolarHBondContact O-N 3.27Å; F1032-I1036 HydrophobicContact CD1-CB 4.06Å; F1032-I1036 HydrophobicContact CD1-CD1 4.2Å; F1032-I1036 HydrophobicContact CD1-CG2 3.81Å; F1032-I1036 HydrophobicContact CD2-CD1 3.59Å; F1032-I1036 HydrophobicContact CE1-CB 4.11Å; F1032-I1036 HydrophobicContact CE1-CD1 4.07Å; F1032-I1036 HydrophobicContact CE1-CG2 3.42Å; F1032-I1036 VanDerWaalsContact CE1-CG2 3.42Å; F1032-I1036 HydrophobicContact CE2-CD1 3.43Å; F1032-I1036 VanDerWaalsContact CE2-CD1 3.43Å; F1032-I1036 HydrophobicContact CG-CB 4.46Å; F1032-I1036 HydrophobicContact CG-CD1 3.98Å; F1032-I1036 HydrophobicContact CZ-CD1 3.69Å; F1032-I1036 HydrophobicContact CZ-CG2 3.94Å; F1032-I1036 WeakPolarHBondContact O-CA 3.32Å; F1032-I1036 WeakPolarHBondContact O-CB 3.33Å; F1032-I1036 PolarHBondContact O-N 2.89Å; F1032-L1037 HydrophobicContact CD1-CG 4.47Å; F1032-L1037 PolarHBondContact O-N 3.24Å |
| 1033 | E | 60.9 | Low | 59.2 | Low | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50 | -53.8 | 173.5 | -176.8 | -170.8 | -142.9 | 0 | 0 | 111.6 | V1029 N1030 Q1035 L1037 N1038 L1226 | V1029-E1033 WeakPolarHBondContact O-CB 3.5Å; V1029-E1033 PolarHBondContact O-N 3.21Å; N1030-E1033 PolarHBondContact ND2-OE2 2.79Å; E1033-Q1035 PolarHBondContact O-N 2.75Å; E1033-L1037 HydrophobicContact CB-CD1 4.33Å; E1033-L1037 HydrophobicContact CG-CD1 4.47Å; E1033-L1037 PolarHBondContact O-N 2.76Å; E1033-N1038 PolarHBondContact O-N 3.07Å; E1033-N1038 PolarHBondContact O-OD1 3.11Å; E1033-L1226 HydrophobicContact CB-CD2 4.2Å; E1033-L1226 HydrophobicContact CG-CD2 4.01Å; E1033-L1226 WeakPolarHBondContact OE1-CA 3.38Å; E1033-L1226 WeakPolarHBondContact OE1-CB 3.24Å; E1033-L1226 WeakPolarHBondContact OE1-CD2 3.46Å; E1033-L1226 WeakPolarHBondContact OE1-CG 3.4Å |
| 1034 | K | 60 | Low | 59.5 | Low | 126 Ų | 126 | 43.8 Ų | 43.8 | 55% | 0.548 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.4 | -33.5 | -178.1 | -73.4 | 168.7 | 177.9 | 162.8 | 0 | 114.9 | N1030 L1031 F1032 | N1030-K1034 WeakPolarHBondContact O-CB 3.34Å; N1030-K1034 WeakPolarHBondContact O-CG 3.36Å; N1030-K1034 PolarHBondContact O-N 3.28Å; N1030-K1034 WeakPolarHBondContact OD1-CD 3.37Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.26Å; N1030-K1034 PolarHBondContact OD1-NZ 3.26Å; L1031-K1034 PolarHBondContact O-N 2.87Å; F1032-K1034 VanDerWaalsContact C-N 3.35Å; F1032-K1034 PolarHBondContact O-N 2.94Å |
| 1035 | Q | 56.9 | Low | 60.2 | Low | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -95.3 | -12.1 | -176.6 | -66.7 | -177.7 | -4.6 | 0 | 0 | 113.8 | R921 L1031 F1032 E1033 | R921-Q1035 WeakPolarHBondContact CD-O 3.24Å; R921-Q1035 PolarHBondContact NH1-O 3.09Å; L1031-Q1035 VanDerWaalsContact O-CB 3.23Å; L1031-Q1035 WeakPolarHBondContact O-CB 3.19Å; L1031-Q1035 VanDerWaalsContact O-CG 3.28Å; L1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; L1031-Q1035 PolarHBondContact O-N 3.28Å; F1032-Q1035 PolarHBondContact O-N 3.27Å; E1033-Q1035 PolarHBondContact O-N 2.75Å |
| 1036 | I | 56 | Low | 60.8 | Low | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -137 | -49.8 | -168.1 | -72.6 | 173.8 | 0 | 0 | 0 | 112.4 | L918 V922 F1032 T1040 | L918-I1036 HydrophobicContact CD1-CB 3.63Å; L918-I1036 HydrophobicContact CD1-CD1 3.7Å; L918-I1036 HydrophobicContact CD1-CG1 3.33Å; L918-I1036 HydrophobicContact CD1-CG2 3.21Å; L918-I1036 HydrophobicContact CD2-CG2 3.97Å; L918-I1036 HydrophobicContact CG-CG2 4.26Å; V922-I1036 HydrophobicContact CG2-CD1 3.46Å; V922-I1036 VanDerWaalsContact CG2-CD1 3.46Å; V922-I1036 HydrophobicContact CG2-CG1 4.49Å; F1032-I1036 HydrophobicContact CD1-CB 4.06Å; F1032-I1036 HydrophobicContact CD1-CD1 4.2Å; F1032-I1036 HydrophobicContact CD1-CG2 3.81Å; F1032-I1036 HydrophobicContact CD2-CD1 3.59Å; F1032-I1036 HydrophobicContact CE1-CB 4.11Å; F1032-I1036 HydrophobicContact CE1-CD1 4.07Å; F1032-I1036 HydrophobicContact CE1-CG2 3.42Å; F1032-I1036 VanDerWaalsContact CE1-CG2 3.42Å; F1032-I1036 HydrophobicContact CE2-CD1 3.43Å; F1032-I1036 VanDerWaalsContact CE2-CD1 3.43Å; F1032-I1036 HydrophobicContact CG-CB 4.46Å; F1032-I1036 HydrophobicContact CG-CD1 3.98Å; F1032-I1036 HydrophobicContact CZ-CD1 3.69Å; F1032-I1036 HydrophobicContact CZ-CG2 3.94Å; F1032-I1036 WeakPolarHBondContact O-CA 3.32Å; F1032-I1036 WeakPolarHBondContact O-CB 3.33Å; F1032-I1036 PolarHBondContact O-N 2.89Å; I1036-T1040 PolarHBondContact O-OG1 3.44Å |
| 1037 | L | 56.8 | Low | 61.5 | Low | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -78.3 | -37.1 | -174.5 | -62.4 | 175.4 | 0 | 0 | 0 | 112.1 | F1006 F1032 E1033 E1039 T1040 A1045 | F1006-L1037 HydrophobicContact CE1-CD1 4.16Å; F1006-L1037 HydrophobicContact CE2-CD1 3.82Å; F1006-L1037 HydrophobicContact CZ-CD1 3.62Å; F1032-L1037 HydrophobicContact CD1-CG 4.47Å; F1032-L1037 PolarHBondContact O-N 3.24Å; E1033-L1037 HydrophobicContact CB-CD1 4.33Å; E1033-L1037 HydrophobicContact CG-CD1 4.47Å; E1033-L1037 PolarHBondContact O-N 2.76Å; L1037-E1039 PolarHBondContact O-N 2.89Å; L1037-E1039 VanDerWaalsContact O-N 3.11Å; L1037-T1040 CarbonylContact O-C 3.56Å; L1037-T1040 PolarHBondContact O-N 3.29Å; L1037-T1040 VanDerWaalsContact O-O 3.05Å; L1037-T1040 PolarHBondContact O-OG1 3.48Å; L1037-A1045 HydrophobicContact CD1-CB 3.7Å; L1037-A1045 HydrophobicContact CD2-CB 4.15Å |
| 1038 | N | 55.1 | Low | 62.3 | Low | 89 Ų | 89 | 35 Ų | 35 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -64.5 | -14 | 177.1 | -69.3 | -0.3 | 0 | 0 | 0 | 114.5 | E1033 | E1033-N1038 PolarHBondContact O-N 3.07Å; E1033-N1038 PolarHBondContact O-OD1 3.11Å |
| 1039 | E | 51 | Low | 63.1 | Low | 94 Ų | 94 | 35 Ų | 35 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -107.1 | 4.5 | 173.9 | -78 | -177.5 | -140.7 | 0 | 0 | 113.2 | V914 N917 R921 L1037 | V914-E1039 WeakPolarHBondContact CG1-O 3.28Å; N917-E1039 PolarHBondContact ND2-OE2 3.4Å; R921-E1039 IonicContact CZ-OE1 2.79Å; R921-E1039 IonicContact CZ-OE2 3.2Å; R921-E1039 IonicContact NH1-OE1 2.7Å; R921-E1039 PolarHBondContact NH1-OE1 3Å; R921-E1039 IonicContact NH1-OE2 3.56Å; R921-E1039 PolarHBondContact NH1-OE2 2.91Å; R921-E1039 VanDerWaalsContact NH1-OE2 3.11Å; R921-E1039 IonicContact NH2-OE1 2.74Å; R921-E1039 PolarHBondContact NH2-OE1 3.03Å; R921-E1039 IonicContact NH2-OE2 2.74Å; R921-E1039 PolarHBondContact NH2-OE2 2.85Å; L1037-E1039 PolarHBondContact O-N 2.89Å; L1037-E1039 VanDerWaalsContact O-N 3.11Å |
| 1040 | T | 53.1 | Low | 63.8 | Low | 24 Ų | 24 | 35.1 Ų | 35.1 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -128.7 | 179.8 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | V914 L918 I1036 L1037 P1042 | V914-T1040 HydrophobicContact CG1-CG2 3.92Å; L918-T1040 HydrophobicContact CD2-CG2 3.73Å; I1036-T1040 PolarHBondContact O-OG1 3.44Å; L1037-T1040 CarbonylContact O-C 3.56Å; L1037-T1040 PolarHBondContact O-N 3.29Å; L1037-T1040 VanDerWaalsContact O-O 3.05Å; L1037-T1040 PolarHBondContact O-OG1 3.48Å; T1040-P1042 WeakPolarHBondContact O-CD 3.36Å |
| 1041 | D | 60.9 | Low | 64.4 | Low | 30 Ų | 30 | 33.9 Ų | 33.9 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | trans | -68.6 | 115 | -178.5 | -170.8 | -47.9 | 0 | 0 | 0 | 110.2 | S1043 L1044 S1074 S1077 | D1041-S1043 VanDerWaalsContact CG-OG 3.31Å; D1041-S1043 PolarHBondContact O-N 3.33Å; D1041-S1043 WeakPolarHBondContact OD1-CB 3.44Å; D1041-S1043 PolarHBondContact OD1-N 3.49Å; D1041-S1043 PolarHBondContact OD1-OG 3.08Å; D1041-L1044 WeakPolarHBondContact O-CB 3.44Å; D1041-L1044 PolarHBondContact O-N 3.38Å; D1041-S1074 WeakPolarHBondContact OD2-CB 3.3Å; D1041-S1074 PolarHBondContact OD2-N 3.04Å; D1041-S1074 PolarHBondContact OD2-OG 2.56Å; D1041-S1077 WeakPolarHBondContact OD2-CB 3.19Å; D1041-S1077 PolarHBondContact OD2-OG 3.38Å | ||
| 1042 | P | 62 | Low | 65.4 | Low | 55 Ų | 55 | 30 Ų | 30 | 36% | 0.357 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.5 | -174.3 | -23.7 | 35.8 | 0 | 0 | 0 | 114 | T1040 L1044 | T1040-P1042 WeakPolarHBondContact O-CD 3.36Å; P1042-L1044 VanDerWaalsContact C-N 3.26Å; P1042-L1044 PolarHBondContact O-N 3.21Å |
| 1043 | S | 67.7 | Low | 65.9 | Low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -31.5 | 170.6 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | D1041 A1045 K1046 Y1047 A1069 S1073 | D1041-S1043 VanDerWaalsContact CG-OG 3.31Å; D1041-S1043 PolarHBondContact O-N 3.33Å; D1041-S1043 WeakPolarHBondContact OD1-CB 3.44Å; D1041-S1043 PolarHBondContact OD1-N 3.49Å; D1041-S1043 PolarHBondContact OD1-OG 3.08Å; S1043-A1045 VanDerWaalsContact C-N 3.26Å; S1043-A1045 PolarHBondContact O-N 3.19Å; S1043-K1046 CarbonylContact O-C 3.55Å; S1043-K1046 WeakPolarHBondContact O-CA 3.27Å; S1043-K1046 WeakPolarHBondContact O-CB 3.18Å; S1043-K1046 PolarHBondContact O-N 3.3Å; S1043-Y1047 WeakPolarHBondContact O-CD2 3.45Å; S1043-Y1047 PolarHBondContact O-N 2.88Å; S1043-A1069 VanDerWaalsContact CB-O 3.24Å; S1043-A1069 WeakPolarHBondContact CB-O 3.42Å; S1043-S1073 WeakPolarHBondContact CB-OG 3.32Å; S1043-S1073 PolarHBondContact OG-OG 3.05Å |
| 1044 | L | 68.3 | Low | 66.6 | Low | 12 Ų | 12 | 29.7 Ų | 29.7 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.2 | -41.9 | -177.2 | -164.5 | 86 | 0 | 0 | 0 | 112 | R999 H1002 D1041 P1042 Y1047 A1048 W1081 | R999-L1044 HydrophobicContact CG-CD1 3.78Å; H1002-L1044 HydrophobicContact CB-CD2 4.33Å; D1041-L1044 WeakPolarHBondContact O-CB 3.44Å; D1041-L1044 PolarHBondContact O-N 3.38Å; P1042-L1044 VanDerWaalsContact C-N 3.26Å; P1042-L1044 PolarHBondContact O-N 3.21Å; L1044-Y1047 PolarHBondContact O-N 3.35Å; L1044-A1048 PolarHBondContact O-N 3.15Å; L1044-W1081 HydrophobicContact CD1-CZ2 3.91Å |
| 1045 | A | 69.3 | Low | 67.3 | Low | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.3 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1006 L1037 S1043 A1048 W1049 | F1006-A1045 HydrophobicContact CD1-CB 4.37Å; F1006-A1045 HydrophobicContact CE1-CB 3.57Å; F1006-A1045 HydrophobicContact CZ-CB 4.11Å; L1037-A1045 HydrophobicContact CD1-CB 3.7Å; L1037-A1045 HydrophobicContact CD2-CB 4.15Å; S1043-A1045 VanDerWaalsContact C-N 3.26Å; S1043-A1045 PolarHBondContact O-N 3.19Å; A1045-A1048 PolarHBondContact O-N 3.34Å; A1045-W1049 PolarHBondContact O-N 3.08Å |
| 1046 | K | 72.6 | Confident | 68 | Low | 29 Ų | 29 | 22.6 Ų | 22.6 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.2 | -37 | 178 | -57.4 | 174 | -165.5 | 175 | 0 | 111.2 | S1043 Y1050 W1065 A1069 S1072 | S1043-K1046 CarbonylContact O-C 3.55Å; S1043-K1046 WeakPolarHBondContact O-CA 3.27Å; S1043-K1046 WeakPolarHBondContact O-CB 3.18Å; S1043-K1046 PolarHBondContact O-N 3.3Å; K1046-Y1050 WeakPolarHBondContact O-CB 3.4Å; K1046-Y1050 PolarHBondContact O-N 3.1Å; K1046-W1065 HydrophobicContact CB-CE3 4.12Å; K1046-W1065 HydrophobicContact CB-CZ3 4.46Å; K1046-W1065 HydrophobicContact CD-CZ3 4.32Å; K1046-W1065 HydrophobicContact CG-CE3 4.17Å; K1046-W1065 HydrophobicContact CG-CZ3 4.01Å; K1046-A1069 HydrophobicContact CB-CB 3.7Å; K1046-S1072 PolarHBondContact NZ-OG 3.47Å |
| 1047 | Y | 75.3 | Confident | 68.7 | Low | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | 170 | -71.2 | -75.5 | 0 | 0 | 0 | 112.2 | S1043 L1044 Y1050 S1051 L1066 A1069 I1070 S1073 W1081 | S1043-Y1047 WeakPolarHBondContact O-CD2 3.45Å; S1043-Y1047 PolarHBondContact O-N 2.88Å; L1044-Y1047 PolarHBondContact O-N 3.35Å; Y1047-Y1050 HydrophobicContact CD1-CD1 4.5Å; Y1047-Y1050 WeakPolarHBondContact O-CB 3.45Å; Y1047-Y1050 PolarHBondContact O-N 2.88Å; Y1047-S1051 PolarHBondContact O-N 2.97Å; Y1047-S1051 PolarHBondContact O-OG 3.44Å; Y1047-L1066 HydrophobicContact CD1-CD1 3.96Å; Y1047-L1066 HydrophobicContact CE1-CD1 3.57Å; Y1047-A1069 HydrophobicContact CD1-CB 3.92Å; Y1047-A1069 HydrophobicContact CD2-CB 3.73Å; Y1047-A1069 HydrophobicContact CE1-CB 3.82Å; Y1047-A1069 HydrophobicContact CE2-CB 3.59Å; Y1047-A1069 HydrophobicContact CG-CB 3.88Å; Y1047-I1070 WeakPolarHBondContact OH-CG1 3.45Å; Y1047-S1073 WeakPolarHBondContact CE2-OG 3.32Å; Y1047-S1073 PolarHBondContact OH-OG 3.23Å; Y1047-W1081 AromaticContact CD1-CD2 3.7Å; Y1047-W1081 HydrophobicContact CD1-CD2 3.7Å; Y1047-W1081 AromaticContact CD1-CE3 3.87Å; Y1047-W1081 HydrophobicContact CD1-CE3 3.87Å; Y1047-W1081 HydrophobicContact CD1-CG 4.02Å; Y1047-W1081 HydrophobicContact CD1-CZ3 4.39Å; Y1047-W1081 AromaticContact CD2-CD1 3.44Å; Y1047-W1081 VanDerWaalsContact CD2-CD1 3.44Å; Y1047-W1081 AromaticContact CD2-CD2 3.77Å; Y1047-W1081 HydrophobicContact CD2-CD2 3.77Å; Y1047-W1081 AromaticContact CD2-CE2 3.35Å; Y1047-W1081 AromaticContact CD2-CG 3.88Å; Y1047-W1081 HydrophobicContact CD2-CG 3.88Å; Y1047-W1081 AromaticContact CD2-CZ2 3.96Å; Y1047-W1081 HydrophobicContact CD2-CZ2 3.96Å; Y1047-W1081 AromaticContact CD2-NE1 3.08Å; Y1047-W1081 HydrophobicContact CE1-CB 3.97Å; Y1047-W1081 AromaticContact CE1-CD2 3.9Å; Y1047-W1081 HydrophobicContact CE1-CD2 3.9Å; Y1047-W1081 HydrophobicContact CE1-CE3 4.29Å; Y1047-W1081 AromaticContact CE1-CG 3.69Å; Y1047-W1081 HydrophobicContact CE1-CG 3.69Å; Y1047-W1081 HydrophobicContact CE2-CB 4.4Å; Y1047-W1081 AromaticContact CE2-CD1 3.07Å; Y1047-W1081 AromaticContact CE2-CD2 4Å; Y1047-W1081 HydrophobicContact CE2-CD2 4Å; Y1047-W1081 AromaticContact CE2-CE2 3.88Å; Y1047-W1081 AromaticContact CE2-CG 3.58Å; Y1047-W1081 HydrophobicContact CE2-CG 3.58Å; Y1047-W1081 AromaticContact CE2-NE1 3.27Å; Y1047-W1081 VanDerWaalsContact CE2-NE1 3.27Å; Y1047-W1081 AromaticContact CG-CD2 3.64Å; Y1047-W1081 HydrophobicContact CG-CD2 3.64Å; Y1047-W1081 AromaticContact CG-CE2 3.46Å; Y1047-W1081 VanDerWaalsContact CG-CE2 3.46Å; Y1047-W1081 HydrophobicContact CG-CE3 4.06Å; Y1047-W1081 HydrophobicContact CG-CG 4.11Å; Y1047-W1081 HydrophobicContact CG-CH2 4.26Å; Y1047-W1081 AromaticContact CG-CZ2 3.81Å; Y1047-W1081 HydrophobicContact CG-CZ2 3.81Å; Y1047-W1081 HydrophobicContact CG-CZ3 4.33Å; Y1047-W1081 AromaticContact CG-NE1 3.73Å; Y1047-W1081 AromaticContact CZ-CD1 3.44Å; Y1047-W1081 VanDerWaalsContact CZ-CD1 3.44Å; Y1047-W1081 AromaticContact CZ-CG 3.49Å; Y1047-W1081 VanDerWaalsContact CZ-CG 3.49Å |
| 1048 | A | 76.1 | Confident | 69.4 | Low | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.9 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1003 F1006 L1010 L1044 A1045 Y1050 S1051 I1052 | F1003-A1048 HydrophobicContact CD2-CB 4.07Å; F1003-A1048 HydrophobicContact CE2-CB 3.64Å; F1003-A1048 VanDerWaalsContact CE2-N 3.34Å; F1003-A1048 HydrophobicContact CZ-CB 4.16Å; F1006-A1048 HydrophobicContact CD1-CB 3.61Å; F1006-A1048 HydrophobicContact CE1-CB 4.1Å; L1010-A1048 HydrophobicContact CD1-CB 4.28Å; L1044-A1048 PolarHBondContact O-N 3.15Å; A1045-A1048 PolarHBondContact O-N 3.34Å; A1048-Y1050 VanDerWaalsContact C-N 3.33Å; A1048-Y1050 PolarHBondContact O-N 3.25Å; A1048-S1051 PolarHBondContact O-N 2.58Å; A1048-I1052 WeakPolarHBondContact O-CG1 3.43Å; A1048-I1052 PolarHBondContact O-N 3.3Å |
| 1049 | W | 76.1 | Confident | 70 | Confident | 14 Ų | 14 | 25 Ų | 25 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 173 | -167.8 | -116.7 | 0 | 0 | 0 | 112.2 | L1010 V1014 A1045 I1052 L1053 W1065 V1222 | L1010-W1049 HydrophobicContact CD1-CE3 4.22Å; L1010-W1049 HydrophobicContact CD2-CE3 4.44Å; V1014-W1049 HydrophobicContact CG2-CH2 4.2Å; V1014-W1049 HydrophobicContact CG2-CZ3 4.05Å; A1045-W1049 PolarHBondContact O-N 3.08Å; W1049-I1052 HydrophobicContact CE3-CD1 4.48Å; W1049-I1052 HydrophobicContact CE3-CG2 4.4Å; W1049-I1052 HydrophobicContact CZ3-CG2 4.33Å; W1049-I1052 PolarHBondContact O-N 2.91Å; W1049-L1053 HydrophobicContact CG-CD1 4.47Å; W1049-L1053 VanDerWaalsContact O-CG 3.3Å; W1049-L1053 WeakPolarHBondContact O-CG 3.36Å; W1049-L1053 PolarHBondContact O-N 3.07Å; W1049-W1065 AromaticContact CD1-CD1 3.8Å; W1049-W1065 AromaticContact CD1-CD2 3.89Å; W1049-W1065 AromaticContact CD1-CE2 3.8Å; W1049-W1065 AromaticContact CD1-CG 3.93Å; W1049-W1065 AromaticContact CD1-NE1 3.68Å; W1049-W1065 AromaticContact NE1-NE1 3.76Å; W1049-V1222 HydrophobicContact CH2-CG2 4.18Å |
| 1050 | Y | 79.1 | Confident | 70.7 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.8 | -48.4 | 170.3 | 156.4 | -105.3 | 0 | 0 | 0 | 112.9 | K1046 Y1047 A1048 L1053 I1054 A1062 L1066 L1092 | K1046-Y1050 WeakPolarHBondContact O-CB 3.4Å; K1046-Y1050 PolarHBondContact O-N 3.1Å; Y1047-Y1050 HydrophobicContact CD1-CD1 4.5Å; Y1047-Y1050 WeakPolarHBondContact O-CB 3.45Å; Y1047-Y1050 PolarHBondContact O-N 2.88Å; A1048-Y1050 VanDerWaalsContact C-N 3.33Å; A1048-Y1050 PolarHBondContact O-N 3.25Å; Y1050-L1053 PolarHBondContact O-N 3.41Å; Y1050-I1054 HydrophobicContact CD2-CD1 4.37Å; Y1050-I1054 HydrophobicContact CD2-CG1 4.46Å; Y1050-I1054 HydrophobicContact CE1-CD1 4.32Å; Y1050-I1054 HydrophobicContact CE2-CD1 3.47Å; Y1050-I1054 VanDerWaalsContact CE2-CD1 3.47Å; Y1050-I1054 HydrophobicContact CE2-CG1 3.99Å; Y1050-I1054 VanDerWaalsContact CZ-CD1 3.44Å; Y1050-I1054 PolarHBondContact O-N 3.4Å; Y1050-I1054 VanDerWaalsContact OH-CD1 3.26Å; Y1050-I1054 WeakPolarHBondContact OH-CD1 3.46Å; Y1050-A1062 HydrophobicContact CD2-CB 3.64Å; Y1050-A1062 WeakPolarHBondContact CD2-O 3.3Å; Y1050-A1062 HydrophobicContact CE2-CB 3.91Å; Y1050-L1066 HydrophobicContact CD1-CD1 4.44Å; Y1050-L1066 HydrophobicContact CD2-CB 3.78Å; Y1050-L1066 HydrophobicContact CE1-CD1 4.22Å; Y1050-L1066 HydrophobicContact CE2-CB 3.8Å; Y1050-L1066 HydrophobicContact CE2-CD1 4.49Å; Y1050-L1066 HydrophobicContact CE2-CD2 4.02Å; Y1050-L1066 HydrophobicContact CE2-CG 4.33Å; Y1050-L1066 HydrophobicContact CG-CB 4.31Å; Y1050-L1092 WeakPolarHBondContact OH-CD1 3.49Å; Y1050-L1092 WeakPolarHBondContact OH-CD2 3.49Å |
| 1051 | S | 76.9 | Confident | 71.3 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -34.6 | 179 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | Y1047 A1048 I1054 D1055 | Y1047-S1051 PolarHBondContact O-N 2.97Å; Y1047-S1051 PolarHBondContact O-OG 3.44Å; A1048-S1051 PolarHBondContact O-N 2.58Å; S1051-I1054 PolarHBondContact O-N 2.88Å; S1051-D1055 WeakPolarHBondContact O-CB 3.38Å; S1051-D1055 PolarHBondContact O-N 3.1Å |
| 1052 | I | 76.7 | Confident | 71.7 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 170.8 | -71.3 | 172.9 | 0 | 0 | 0 | 110.3 | Y1007 L1010 A1048 W1049 I1054 D1055 H1056 | Y1007-I1052 HydrophobicContact CD2-CD1 4.21Å; Y1007-I1052 HydrophobicContact CD2-CG1 3.59Å; Y1007-I1052 HydrophobicContact CE2-CB 4.4Å; Y1007-I1052 HydrophobicContact CE2-CD1 4.4Å; Y1007-I1052 HydrophobicContact CE2-CG1 3.38Å; Y1007-I1052 HydrophobicContact CG-CD1 4.46Å; Y1007-I1052 HydrophobicContact CG-CG1 4.25Å; L1010-I1052 HydrophobicContact CB-CD1 3.3Å; L1010-I1052 HydrophobicContact CD1-CD1 4Å; L1010-I1052 HydrophobicContact CG-CD1 4.32Å; A1048-I1052 WeakPolarHBondContact O-CG1 3.43Å; A1048-I1052 PolarHBondContact O-N 3.3Å; W1049-I1052 HydrophobicContact CE3-CD1 4.48Å; W1049-I1052 HydrophobicContact CE3-CG2 4.4Å; W1049-I1052 HydrophobicContact CZ3-CG2 4.33Å; W1049-I1052 PolarHBondContact O-N 2.91Å; I1052-I1054 VanDerWaalsContact C-N 3.33Å; I1052-I1054 PolarHBondContact O-N 2.87Å; I1052-D1055 CarbonylContact O-C 3.54Å; I1052-D1055 PolarHBondContact O-N 3.06Å; I1052-D1055 VanDerWaalsContact O-N 3.08Å; I1052-H1056 PolarHBondContact O-CD2 3.47Å; I1052-H1056 PolarHBondContact O-N 2.94Å |
| 1053 | L | 73.1 | Confident | 72 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 177.1 | -71.2 | 169.2 | 0 | 0 | 0 | 112.4 | W1049 Y1050 H1056 G1057 E1058 Q1061 A1062 W1065 | W1049-L1053 HydrophobicContact CG-CD1 4.47Å; W1049-L1053 VanDerWaalsContact O-CG 3.3Å; W1049-L1053 WeakPolarHBondContact O-CG 3.36Å; W1049-L1053 PolarHBondContact O-N 3.07Å; Y1050-L1053 PolarHBondContact O-N 3.41Å; L1053-H1056 PolarHBondContact O-N 3.44Å; L1053-G1057 PolarHBondContact O-N 3.42Å; L1053-G1057 VanDerWaalsContact O-N 3.08Å; L1053-E1058 HydrophobicContact CB-CB 4.15Å; L1053-E1058 HydrophobicContact CD2-CB 3.77Å; L1053-E1058 HydrophobicContact CD2-CG 4.26Å; L1053-E1058 PolarHBondContact O-N 3.21Å; L1053-Q1061 HydrophobicContact CD1-CB 4.13Å; L1053-A1062 HydrophobicContact CB-CB 3.86Å; L1053-W1065 HydrophobicContact CD1-CB 4.45Å; L1053-W1065 HydrophobicContact CD1-CG 4.06Å |
| 1054 | I | 75.9 | Confident | 72.2 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 170.9 | -73.4 | -165.9 | 0 | 0 | 0 | 111.5 | P955 L957 Y1050 S1051 I1052 H1056 G1057 A1062 | P955-I1054 WeakPolarHBondContact CB-O 3.45Å; L957-I1054 HydrophobicContact CB-CG2 3.91Å; L957-I1054 HydrophobicContact CD1-CG2 3.7Å; L957-I1054 HydrophobicContact CG-CG2 4.44Å; Y1050-I1054 HydrophobicContact CD2-CD1 4.37Å; Y1050-I1054 HydrophobicContact CD2-CG1 4.46Å; Y1050-I1054 HydrophobicContact CE1-CD1 4.32Å; Y1050-I1054 HydrophobicContact CE2-CD1 3.47Å; Y1050-I1054 VanDerWaalsContact CE2-CD1 3.47Å; Y1050-I1054 HydrophobicContact CE2-CG1 3.99Å; Y1050-I1054 VanDerWaalsContact CZ-CD1 3.44Å; Y1050-I1054 PolarHBondContact O-N 3.4Å; Y1050-I1054 VanDerWaalsContact OH-CD1 3.26Å; Y1050-I1054 WeakPolarHBondContact OH-CD1 3.46Å; S1051-I1054 PolarHBondContact O-N 2.88Å; I1052-I1054 VanDerWaalsContact C-N 3.33Å; I1052-I1054 PolarHBondContact O-N 2.87Å; I1054-H1056 PolarHBondContact O-N 2.92Å; I1054-G1057 PolarHBondContact O-N 2.82Å; I1054-A1062 HydrophobicContact CD1-CB 4.44Å; I1054-A1062 HydrophobicContact CG1-CB 3.62Å |
| 1055 | D | 73.6 | Confident | 72.2 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.2 | -13.1 | -178.9 | -80 | 24 | 0 | 0 | 0 | 113.5 | P955 L957 F958 A959 Y1007 S1051 I1052 | P955-D1055 CarbonylContact C-O 3.57Å; P955-D1055 WeakPolarHBondContact CB-O 3.28Å; L957-D1055 WeakPolarHBondContact CA-OD1 3.42Å; L957-D1055 VanDerWaalsContact N-CG 3.28Å; L957-D1055 PolarHBondContact N-OD1 3.11Å; L957-D1055 PolarHBondContact N-OD2 2.73Å; F958-D1055 VanDerWaalsContact N-CG 3.33Å; F958-D1055 PolarHBondContact N-OD1 2.72Å; F958-D1055 PolarHBondContact N-OD2 2.82Å; F958-D1055 VanDerWaalsContact N-OD2 3.08Å; A959-D1055 PolarHBondContact N-OD2 2.67Å; Y1007-D1055 WeakPolarHBondContact OH-CB 3.34Å; Y1007-D1055 PolarHBondContact OH-OD2 3.37Å; S1051-D1055 WeakPolarHBondContact O-CB 3.38Å; S1051-D1055 PolarHBondContact O-N 3.1Å; I1052-D1055 CarbonylContact O-C 3.54Å; I1052-D1055 PolarHBondContact O-N 3.06Å; I1052-D1055 VanDerWaalsContact O-N 3.08Å |
| 1056 | H | 73.1 | Confident | 72.3 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 3.5 | 166 | -67.1 | -69.6 | 0 | 0 | 0 | 114.2 | E1011 H1015 I1052 L1053 I1054 | E1011-H1056 IonicContact OE1-CE1 3.11Å; E1011-H1056 PolarHBondContact OE1-CE1 2.86Å; E1011-H1056 IonicContact OE1-NE2 3.22Å; E1011-H1056 PolarHBondContact OE1-NE2 3.44Å; E1011-H1056 IonicContact OE2-CD2 3.25Å; E1011-H1056 IonicContact OE2-CE1 3.48Å; E1011-H1056 IonicContact OE2-NE2 2.67Å; E1011-H1056 PolarHBondContact OE2-NE2 3.12Å; H1015-H1056 AromaticContact CE1-CE1 3.68Å; H1015-H1056 AromaticContact NE2-CE1 3.6Å; I1052-H1056 PolarHBondContact O-CD2 3.47Å; I1052-H1056 PolarHBondContact O-N 2.94Å; L1053-H1056 PolarHBondContact O-N 3.44Å; I1054-H1056 PolarHBondContact O-N 2.92Å |
| 1057 | G | 69.3 | Low | 72.1 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 19.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1053 I1054 D1059 | L1053-G1057 PolarHBondContact O-N 3.42Å; L1053-G1057 VanDerWaalsContact O-N 3.08Å; I1054-G1057 PolarHBondContact O-N 2.82Å; G1057-D1059 VanDerWaalsContact C-N 3.27Å; G1057-D1059 PolarHBondContact O-N 3.25Å |
| 1058 | E | 72.1 | Confident | 71.6 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | trans | -89.2 | 44.7 | -179.7 | -78.6 | -90.7 | -119.5 | 0 | 0 | 112.2 | L1053 R1060 Q1061 A1062 K1219 | L1053-E1058 HydrophobicContact CB-CB 4.15Å; L1053-E1058 HydrophobicContact CD2-CB 3.77Å; L1053-E1058 HydrophobicContact CD2-CG 4.26Å; L1053-E1058 PolarHBondContact O-N 3.21Å; E1058-R1060 VanDerWaalsContact C-N 3.33Å; E1058-R1060 PolarHBondContact O-N 2.88Å; E1058-R1060 VanDerWaalsContact O-N 3.07Å; E1058-Q1061 PolarHBondContact O-N 2.97Å; E1058-Q1061 PolarHBondContact OE1-NE2 3.49Å; E1058-Q1061 PolarHBondContact OE2-NE2 2.97Å; E1058-A1062 PolarHBondContact O-N 2.94Å; E1058-K1219 IonicContact OE1-NZ 3.38Å; E1058-K1219 PolarHBondContact OE1-NZ 3.38Å | ||
| 1059 | D | 68.8 | Low | 71.2 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -43.6 | -48 | -168.8 | -65.1 | -27.2 | 0 | 0 | 0 | 114.8 | G1057 Q1061 A1062 E1063 | G1057-D1059 VanDerWaalsContact C-N 3.27Å; G1057-D1059 PolarHBondContact O-N 3.25Å; D1059-Q1061 VanDerWaalsContact C-N 3.31Å; D1059-Q1061 PolarHBondContact O-N 3.42Å; D1059-A1062 CarbonylContact O-C 3.56Å; D1059-A1062 WeakPolarHBondContact O-CA 3.42Å; D1059-A1062 VanDerWaalsContact O-CB 3.32Å; D1059-A1062 WeakPolarHBondContact O-CB 3.36Å; D1059-A1062 PolarHBondContact O-N 2.85Å; D1059-E1063 WeakPolarHBondContact O-CG 3.22Å; D1059-E1063 PolarHBondContact O-N 3.49Å |
| 1060 | R | 64.4 | Low | 70.8 | Confident | 220 Ų | 220 | 45 Ų | 45 | 83% | 0.83 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.1 | -32.4 | -178.5 | -70.7 | -177.2 | 174.4 | -173.1 | -2.4 | 113.6 | E1058 S1064 | E1058-R1060 VanDerWaalsContact C-N 3.33Å; E1058-R1060 PolarHBondContact O-N 2.88Å; E1058-R1060 VanDerWaalsContact O-N 3.07Å; R1060-S1064 PolarHBondContact O-N 3.27Å |
| 1061 | Q | 66.2 | Low | 70.2 | Confident | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.8 | -37.6 | 175.5 | -69.7 | 174 | 69.8 | 0 | 0 | 109.6 | L1053 E1058 D1059 S1064 W1065 | L1053-Q1061 HydrophobicContact CD1-CB 4.13Å; E1058-Q1061 PolarHBondContact O-N 2.97Å; E1058-Q1061 PolarHBondContact OE1-NE2 3.49Å; E1058-Q1061 PolarHBondContact OE2-NE2 2.97Å; D1059-Q1061 VanDerWaalsContact C-N 3.31Å; D1059-Q1061 PolarHBondContact O-N 3.42Å; Q1061-S1064 PolarHBondContact O-N 2.88Å; Q1061-W1065 PolarHBondContact O-N 3.32Å |
| 1062 | A | 69 | Low | 69.5 | Low | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1050 L1053 I1054 E1058 D1059 S1064 W1065 L1066 | Y1050-A1062 HydrophobicContact CD2-CB 3.64Å; Y1050-A1062 WeakPolarHBondContact CD2-O 3.3Å; Y1050-A1062 HydrophobicContact CE2-CB 3.91Å; L1053-A1062 HydrophobicContact CB-CB 3.86Å; I1054-A1062 HydrophobicContact CD1-CB 4.44Å; I1054-A1062 HydrophobicContact CG1-CB 3.62Å; E1058-A1062 PolarHBondContact O-N 2.94Å; D1059-A1062 CarbonylContact O-C 3.56Å; D1059-A1062 WeakPolarHBondContact O-CA 3.42Å; D1059-A1062 VanDerWaalsContact O-CB 3.32Å; D1059-A1062 WeakPolarHBondContact O-CB 3.36Å; D1059-A1062 PolarHBondContact O-N 2.85Å; A1062-S1064 VanDerWaalsContact C-N 3.31Å; A1062-S1064 PolarHBondContact O-N 3.41Å; A1062-W1065 CarbonylContact O-C 3.44Å; A1062-W1065 WeakPolarHBondContact O-CA 3.32Å; A1062-W1065 PolarHBondContact O-N 3Å; A1062-L1066 WeakPolarHBondContact O-CB 3.31Å; A1062-L1066 PolarHBondContact O-N 2.98Å |
| 1063 | E | 68.7 | Low | 68.6 | Low | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.7 | -43.3 | 175.1 | -73.3 | 179.2 | 149.8 | 0 | 0 | 112.7 | D1059 W1065 L1066 L1067 | D1059-E1063 WeakPolarHBondContact O-CG 3.22Å; D1059-E1063 PolarHBondContact O-N 3.49Å; E1063-W1065 PolarHBondContact O-N 3.35Å; E1063-L1066 PolarHBondContact O-N 2.89Å; E1063-L1067 WeakPolarHBondContact O-CG 3.33Å; E1063-L1067 PolarHBondContact O-N 2.76Å |
| 1064 | S | 71 | Confident | 68.2 | Low | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.3 | -166 | 0 | 0 | 0 | 0 | 112.2 | R1060 Q1061 A1062 L1067 R1068 | R1060-S1064 PolarHBondContact O-N 3.27Å; Q1061-S1064 PolarHBondContact O-N 2.88Å; A1062-S1064 VanDerWaalsContact C-N 3.31Å; A1062-S1064 PolarHBondContact O-N 3.41Å; S1064-L1067 PolarHBondContact O-N 3.01Å; S1064-R1068 VanDerWaalsContact O-CG 3.24Å; S1064-R1068 WeakPolarHBondContact O-CG 3.47Å; S1064-R1068 PolarHBondContact O-N 3.17Å |
| 1065 | W | 68.8 | Low | 67.5 | Low | 27 Ų | 27 | 61.7 Ų | 61.7 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.2 | -36 | 176.9 | -81.8 | 107.9 | 0 | 0 | 0 | 113.5 | K1046 W1049 L1053 Q1061 A1062 E1063 R1068 A1069 I1229 | K1046-W1065 HydrophobicContact CB-CE3 4.12Å; K1046-W1065 HydrophobicContact CB-CZ3 4.46Å; K1046-W1065 HydrophobicContact CD-CZ3 4.32Å; K1046-W1065 HydrophobicContact CG-CE3 4.17Å; K1046-W1065 HydrophobicContact CG-CZ3 4.01Å; W1049-W1065 AromaticContact CD1-CD1 3.8Å; W1049-W1065 AromaticContact CD1-CD2 3.89Å; W1049-W1065 AromaticContact CD1-CE2 3.8Å; W1049-W1065 AromaticContact CD1-CG 3.93Å; W1049-W1065 AromaticContact CD1-NE1 3.68Å; W1049-W1065 AromaticContact NE1-NE1 3.76Å; L1053-W1065 HydrophobicContact CD1-CB 4.45Å; L1053-W1065 HydrophobicContact CD1-CG 4.06Å; Q1061-W1065 PolarHBondContact O-N 3.32Å; A1062-W1065 CarbonylContact O-C 3.44Å; A1062-W1065 WeakPolarHBondContact O-CA 3.32Å; A1062-W1065 PolarHBondContact O-N 3Å; E1063-W1065 PolarHBondContact O-N 3.35Å; W1065-R1068 HydrophobicContact CE3-CB 4.21Å; W1065-R1068 VanDerWaalsContact CH2-NH1 3.35Å; W1065-R1068 HydrophobicContact CZ3-CB 4.43Å; W1065-R1068 PolarHBondContact O-N 3.49Å; W1065-A1069 VanDerWaalsContact O-CB 3.28Å; W1065-A1069 WeakPolarHBondContact O-CB 3.43Å; W1065-A1069 PolarHBondContact O-N 3.35Å; W1065-I1229 HydrophobicContact CH2-CB 4.12Å; W1065-I1229 HydrophobicContact CH2-CG2 3.3Å; W1065-I1229 WeakPolarHBondContact CH2-O 3.48Å; W1065-I1229 HydrophobicContact CZ2-CG2 3.76Å; W1065-I1229 HydrophobicContact CZ3-CG2 4.07Å |
| 1066 | L | 72.3 | Confident | 66.6 | Low | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 172.6 | -179.7 | 60.4 | 0 | 0 | 0 | 111.2 | Y1047 Y1050 A1062 E1063 A1069 I1070 L1092 | Y1047-L1066 HydrophobicContact CD1-CD1 3.96Å; Y1047-L1066 HydrophobicContact CE1-CD1 3.57Å; Y1050-L1066 HydrophobicContact CD1-CD1 4.44Å; Y1050-L1066 HydrophobicContact CD2-CB 3.78Å; Y1050-L1066 HydrophobicContact CE1-CD1 4.22Å; Y1050-L1066 HydrophobicContact CE2-CB 3.8Å; Y1050-L1066 HydrophobicContact CE2-CD1 4.49Å; Y1050-L1066 HydrophobicContact CE2-CD2 4.02Å; Y1050-L1066 HydrophobicContact CE2-CG 4.33Å; Y1050-L1066 HydrophobicContact CG-CB 4.31Å; A1062-L1066 WeakPolarHBondContact O-CB 3.31Å; A1062-L1066 PolarHBondContact O-N 2.98Å; E1063-L1066 PolarHBondContact O-N 2.89Å; L1066-A1069 WeakPolarHBondContact O-CB 3.48Å; L1066-A1069 PolarHBondContact O-N 3.36Å; L1066-I1070 HydrophobicContact CD1-CD1 4.1Å; L1066-I1070 HydrophobicContact CD1-CG1 4.38Å; L1066-I1070 HydrophobicContact CG-CD1 3.97Å; L1066-I1070 VanDerWaalsContact O-CG1 3.3Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.5Å; L1066-I1070 PolarHBondContact O-N 3.41Å; L1066-L1092 HydrophobicContact CD2-CD1 4.3Å; L1066-L1092 HydrophobicContact CD2-CD2 3.9Å |
| 1067 | L | 66.8 | Low | 66 | Low | 86 Ų | 86 | 59.8 Ų | 59.8 | 45% | 0.45 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.5 | -70.3 | 170.6 | 0 | 0 | 0 | 111.6 | E1063 S1064 A1069 I1070 M1071 P1095 | E1063-L1067 WeakPolarHBondContact O-CG 3.33Å; E1063-L1067 PolarHBondContact O-N 2.76Å; S1064-L1067 PolarHBondContact O-N 3.01Å; L1067-A1069 VanDerWaalsContact C-N 3.3Å; L1067-A1069 PolarHBondContact O-N 3.21Å; L1067-I1070 PolarHBondContact O-N 3.21Å; L1067-M1071 WeakPolarHBondContact O-CB 3.48Å; L1067-M1071 VanDerWaalsContact O-CG 3.26Å; L1067-M1071 WeakPolarHBondContact O-CG 3.49Å; L1067-M1071 PolarHBondContact O-N 3Å; L1067-P1095 HydrophobicContact CD2-CG 4.35Å |
| 1068 | R | 66.1 | Low | 65.9 | Low | 91 Ų | 91 | 59.8 Ų | 59.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 173.6 | -69.7 | 166.9 | -176.1 | -139.7 | -3.8 | 112.4 | S1064 W1065 S1072 | S1064-R1068 VanDerWaalsContact O-CG 3.24Å; S1064-R1068 WeakPolarHBondContact O-CG 3.47Å; S1064-R1068 PolarHBondContact O-N 3.17Å; W1065-R1068 HydrophobicContact CE3-CB 4.21Å; W1065-R1068 VanDerWaalsContact CH2-NH1 3.35Å; W1065-R1068 HydrophobicContact CZ3-CB 4.43Å; W1065-R1068 PolarHBondContact O-N 3.49Å; R1068-S1072 PolarHBondContact O-N 2.86Å; R1068-S1072 PolarHBondContact O-OG 2.77Å |
| 1069 | A | 67.4 | Low | 65.5 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | S1043 K1046 Y1047 W1065 L1066 L1067 M1071 S1072 S1073 | S1043-A1069 VanDerWaalsContact CB-O 3.24Å; S1043-A1069 WeakPolarHBondContact CB-O 3.42Å; K1046-A1069 HydrophobicContact CB-CB 3.7Å; Y1047-A1069 HydrophobicContact CD1-CB 3.92Å; Y1047-A1069 HydrophobicContact CD2-CB 3.73Å; Y1047-A1069 HydrophobicContact CE1-CB 3.82Å; Y1047-A1069 HydrophobicContact CE2-CB 3.59Å; Y1047-A1069 HydrophobicContact CG-CB 3.88Å; W1065-A1069 VanDerWaalsContact O-CB 3.28Å; W1065-A1069 WeakPolarHBondContact O-CB 3.43Å; W1065-A1069 PolarHBondContact O-N 3.35Å; L1066-A1069 WeakPolarHBondContact O-CB 3.48Å; L1066-A1069 PolarHBondContact O-N 3.36Å; L1067-A1069 VanDerWaalsContact C-N 3.3Å; L1067-A1069 PolarHBondContact O-N 3.21Å; A1069-M1071 PolarHBondContact O-N 2.88Å; A1069-S1072 CarbonylContact O-C 3.43Å; A1069-S1072 PolarHBondContact O-N 2.67Å; A1069-S1072 VanDerWaalsContact O-N 3.16Å; A1069-S1073 PolarHBondContact O-N 3.16Å; A1069-S1073 PolarHBondContact O-OG 2.85Å |
| 1070 | I | 68 | Low | 65.3 | Low | 28 Ų | 28 | 60.3 Ų | 60.3 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 174.5 | -69.1 | 165.7 | 0 | 0 | 0 | 110.7 | Y1047 L1066 L1067 S1072 S1073 F1078 L1094 L1098 | Y1047-I1070 WeakPolarHBondContact OH-CG1 3.45Å; L1066-I1070 HydrophobicContact CD1-CD1 4.1Å; L1066-I1070 HydrophobicContact CD1-CG1 4.38Å; L1066-I1070 HydrophobicContact CG-CD1 3.97Å; L1066-I1070 VanDerWaalsContact O-CG1 3.3Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.5Å; L1066-I1070 PolarHBondContact O-N 3.41Å; L1067-I1070 PolarHBondContact O-N 3.21Å; I1070-S1072 PolarHBondContact O-N 2.91Å; I1070-S1072 VanDerWaalsContact O-N 3.12Å; I1070-S1073 WeakPolarHBondContact O-CB 3.47Å; I1070-S1073 PolarHBondContact O-N 3.23Å; I1070-S1073 VanDerWaalsContact O-N 3.12Å; I1070-F1078 HydrophobicContact CD1-CE2 4.36Å; I1070-F1078 HydrophobicContact CG1-CD2 4.22Å; I1070-F1078 HydrophobicContact CG1-CE2 4.07Å; I1070-F1078 HydrophobicContact CG2-CD2 3.95Å; I1070-F1078 HydrophobicContact CG2-CE2 3.77Å; I1070-L1094 HydrophobicContact CD1-CD2 3.72Å; I1070-L1098 HydrophobicContact CG2-CD1 4.15Å |
| 1071 | M | 65.6 | Low | 65.3 | Low | 170 Ų | 170 | 50 Ų | 50 | 84% | 0.837 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.9 | 179 | -72 | 178.1 | 70.6 | 0 | 0 | 114.6 | L1067 A1069 | L1067-M1071 WeakPolarHBondContact O-CB 3.48Å; L1067-M1071 VanDerWaalsContact O-CG 3.26Å; L1067-M1071 WeakPolarHBondContact O-CG 3.49Å; L1067-M1071 PolarHBondContact O-N 3Å; A1069-M1071 PolarHBondContact O-N 2.88Å |
| 1072 | S | 62.1 | Low | 65.3 | Low | 42 Ų | 42 | 49.2 Ų | 49.2 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 12 | 174.8 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | K1046 R1068 A1069 I1070 | K1046-S1072 PolarHBondContact NZ-OG 3.47Å; R1068-S1072 PolarHBondContact O-N 2.86Å; R1068-S1072 PolarHBondContact O-OG 2.77Å; A1069-S1072 CarbonylContact O-C 3.43Å; A1069-S1072 PolarHBondContact O-N 2.67Å; A1069-S1072 VanDerWaalsContact O-N 3.16Å; I1070-S1072 PolarHBondContact O-N 2.91Å; I1070-S1072 VanDerWaalsContact O-N 3.12Å |
| 1073 | S | 59.5 | Low | 65 | Low | 25 Ų | 25 | 53.4 Ų | 53.4 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -81.7 | 137 | 174.5 | -64 | 0 | 0 | 0 | 0 | 110.7 | S1043 Y1047 A1069 I1070 | S1043-S1073 WeakPolarHBondContact CB-OG 3.32Å; S1043-S1073 PolarHBondContact OG-OG 3.05Å; Y1047-S1073 WeakPolarHBondContact CE2-OG 3.32Å; Y1047-S1073 PolarHBondContact OH-OG 3.23Å; A1069-S1073 PolarHBondContact O-N 3.16Å; A1069-S1073 PolarHBondContact O-OG 2.85Å; I1070-S1073 WeakPolarHBondContact O-CB 3.47Å; I1070-S1073 PolarHBondContact O-N 3.23Å; I1070-S1073 VanDerWaalsContact O-N 3.12Å | ||
| 1074 | S | 64.4 | Low | 64.8 | Low | 50 Ų | 50 | 48.9 Ų | 48.9 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | trans | -60.9 | 158.5 | 154.6 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | D1041 A1076 S1077 F1078 | D1041-S1074 WeakPolarHBondContact OD2-CB 3.3Å; D1041-S1074 PolarHBondContact OD2-N 3.04Å; D1041-S1074 PolarHBondContact OD2-OG 2.56Å; S1074-A1076 VanDerWaalsContact C-N 3.26Å; S1074-A1076 PolarHBondContact O-N 2.95Å; S1074-S1077 WeakPolarHBondContact O-CB 3.28Å; S1074-S1077 PolarHBondContact O-N 3.09Å; S1074-S1077 WeakPolarHBondContact OG-CB 3.45Å; S1074-S1077 PolarHBondContact OG-N 3.44Å; S1074-S1077 PolarHBondContact OG-OG 3.4Å; S1074-F1078 PolarHBondContact O-N 2.79Å | ||
| 1075 | S | 61.1 | Low | 64.5 | Low | 97 Ų | 97 | 47.2 Ų | 47.2 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.1 | -35.1 | 177.9 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | F1078 N1079 | S1075-F1078 PolarHBondContact O-N 3Å; S1075-N1079 WeakPolarHBondContact O-CB 3.18Å; S1075-N1079 VanDerWaalsContact O-CG 3.28Å; S1075-N1079 PolarHBondContact O-N 2.54Å; S1075-N1079 PolarHBondContact O-ND2 3Å |
| 1076 | A | 54.5 | Low | 64.2 | Low | 28 Ų | 28 | 49.6 Ų | 49.6 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E911 S1074 N1079 F1080 | E911-A1076 VanDerWaalsContact OE1-CB 3.3Å; E911-A1076 WeakPolarHBondContact OE1-CB 3.33Å; E911-A1076 VanDerWaalsContact OE2-CB 3.27Å; E911-A1076 WeakPolarHBondContact OE2-CB 3.49Å; S1074-A1076 VanDerWaalsContact C-N 3.26Å; S1074-A1076 PolarHBondContact O-N 2.95Å; A1076-N1079 PolarHBondContact O-N 3.08Å; A1076-F1080 PolarHBondContact O-N 2.85Å |
| 1077 | S | 60.4 | Low | 63.4 | Low | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.3 | -68 | 0 | 0 | 0 | 0 | 112.6 | R999 D1041 S1074 N1079 F1080 W1081 | R999-S1077 PolarHBondContact NH1-OG 3.24Å; D1041-S1077 WeakPolarHBondContact OD2-CB 3.19Å; D1041-S1077 PolarHBondContact OD2-OG 3.38Å; S1074-S1077 WeakPolarHBondContact O-CB 3.28Å; S1074-S1077 PolarHBondContact O-N 3.09Å; S1074-S1077 WeakPolarHBondContact OG-CB 3.45Å; S1074-S1077 PolarHBondContact OG-N 3.44Å; S1074-S1077 PolarHBondContact OG-OG 3.4Å; S1077-N1079 VanDerWaalsContact C-N 3.31Å; S1077-N1079 PolarHBondContact O-N 2.84Å; S1077-F1080 WeakPolarHBondContact O-CB 3.21Å; S1077-F1080 PolarHBondContact O-N 3.36Å; S1077-W1081 WeakPolarHBondContact O-CB 3.41Å; S1077-W1081 PolarHBondContact O-N 3.04Å |
| 1078 | F | 66.3 | Low | 62.9 | Low | 38 Ų | 38 | 52.3 Ų | 52.3 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 177.3 | -176.1 | -99.9 | 0 | 0 | 0 | 112 | I1070 S1074 S1075 W1081 T1082 L1094 L1098 | I1070-F1078 HydrophobicContact CD1-CE2 4.36Å; I1070-F1078 HydrophobicContact CG1-CD2 4.22Å; I1070-F1078 HydrophobicContact CG1-CE2 4.07Å; I1070-F1078 HydrophobicContact CG2-CD2 3.95Å; I1070-F1078 HydrophobicContact CG2-CE2 3.77Å; S1074-F1078 PolarHBondContact O-N 2.79Å; S1075-F1078 PolarHBondContact O-N 3Å; F1078-W1081 PolarHBondContact O-N 2.96Å; F1078-T1082 HydrophobicContact CD1-CG2 4.27Å; F1078-T1082 HydrophobicContact CE1-CG2 3.84Å; F1078-T1082 HydrophobicContact CE2-CG2 4.39Å; F1078-T1082 HydrophobicContact CZ-CG2 3.9Å; F1078-T1082 WeakPolarHBondContact O-CG2 3.43Å; F1078-T1082 PolarHBondContact O-N 3.5Å; F1078-T1082 PolarHBondContact O-OG1 3.3Å; F1078-L1094 HydrophobicContact CE2-CD2 4.49Å; F1078-L1098 HydrophobicContact CE2-CD1 4.08Å; F1078-L1098 HydrophobicContact CZ-CB 4.25Å; F1078-L1098 HydrophobicContact CZ-CD1 3.91Å |
| 1079 | N | 64 | Low | 62.3 | Low | 93 Ų | 93 | 54.3 Ų | 54.3 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 176.5 | -71.6 | -15.3 | 0 | 0 | 0 | 113.1 | S1075 A1076 S1077 T1082 T1083 | S1075-N1079 WeakPolarHBondContact O-CB 3.18Å; S1075-N1079 VanDerWaalsContact O-CG 3.28Å; S1075-N1079 PolarHBondContact O-N 2.54Å; S1075-N1079 PolarHBondContact O-ND2 3Å; A1076-N1079 PolarHBondContact O-N 3.08Å; S1077-N1079 VanDerWaalsContact C-N 3.31Å; S1077-N1079 PolarHBondContact O-N 2.84Å; N1079-T1082 PolarHBondContact O-OG1 3.4Å; N1079-T1083 WeakPolarHBondContact O-CB 3.24Å; N1079-T1083 PolarHBondContact O-N 3.28Å; N1079-T1083 PolarHBondContact O-OG1 3.46Å |
| 1080 | F | 64.1 | Low | 61.7 | Low | 38 Ų | 38 | 56.2 Ų | 56.2 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 167.4 | 170 | -93.7 | 0 | 0 | 0 | 110.9 | R999 A1076 S1077 T1083 F1084 | R999-F1080 HydrophobicContact CB-CE2 3.99Å; R999-F1080 HydrophobicContact CB-CZ 4.01Å; R999-F1080 VanDerWaalsContact CD-CE1 3.48Å; R999-F1080 HydrophobicContact CG-CD1 4.34Å; R999-F1080 HydrophobicContact CG-CE1 4.03Å; R999-F1080 HydrophobicContact CG-CE2 4.26Å; R999-F1080 HydrophobicContact CG-CZ 3.97Å; A1076-F1080 PolarHBondContact O-N 2.85Å; S1077-F1080 WeakPolarHBondContact O-CB 3.21Å; S1077-F1080 PolarHBondContact O-N 3.36Å; F1080-T1083 CarbonylContact O-C 3.58Å; F1080-T1083 WeakPolarHBondContact O-CB 3.43Å; F1080-T1083 PolarHBondContact O-N 3.17Å; F1080-T1083 VanDerWaalsContact O-N 3.16Å; F1080-F1084 HydrophobicContact CD1-CB 4.39Å; F1080-F1084 HydrophobicContact CE1-CB 4.02Å; F1080-F1084 AromaticContact CE1-CD2 3.75Å; F1080-F1084 HydrophobicContact CE1-CD2 3.75Å; F1080-F1084 HydrophobicContact CE1-CE2 4.36Å; F1080-F1084 HydrophobicContact CE1-CG 4.05Å; F1080-F1084 HydrophobicContact CE2-CD2 4.14Å; F1080-F1084 HydrophobicContact CZ-CB 4.18Å; F1080-F1084 AromaticContact CZ-CD2 3.34Å; F1080-F1084 HydrophobicContact CZ-CD2 3.34Å; F1080-F1084 AromaticContact CZ-CE2 3.92Å; F1080-F1084 HydrophobicContact CZ-CE2 3.92Å; F1080-F1084 HydrophobicContact CZ-CG 4.07Å; F1080-F1084 VanDerWaalsContact O-CB 3.3Å; F1080-F1084 WeakPolarHBondContact O-CB 3.48Å; F1080-F1084 PolarHBondContact O-N 3Å |
| 1081 | W | 65.7 | Low | 60.5 | Low | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.011 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | -173.8 | -79.6 | 111.8 | 0 | 0 | 0 | 113.5 | F1003 L1044 Y1047 S1077 F1078 T1083 F1084 L1085 | F1003-W1081 AromaticContact CD2-CH2 3.46Å; F1003-W1081 HydrophobicContact CD2-CH2 3.46Å; F1003-W1081 VanDerWaalsContact CD2-CH2 3.46Å; F1003-W1081 AromaticContact CD2-CZ2 3.79Å; F1003-W1081 HydrophobicContact CD2-CZ2 3.79Å; F1003-W1081 AromaticContact CE2-CH2 3.3Å; F1003-W1081 HydrophobicContact CE2-CH2 3.3Å; F1003-W1081 AromaticContact CE2-CZ2 3.9Å; F1003-W1081 HydrophobicContact CE2-CZ2 3.9Å; F1003-W1081 HydrophobicContact CE2-CZ3 4.26Å; F1003-W1081 HydrophobicContact CG-CH2 4.15Å; F1003-W1081 AromaticContact CZ-CH2 3.93Å; F1003-W1081 HydrophobicContact CZ-CH2 3.93Å; L1044-W1081 HydrophobicContact CD1-CZ2 3.91Å; Y1047-W1081 AromaticContact CD1-CD2 3.7Å; Y1047-W1081 HydrophobicContact CD1-CD2 3.7Å; Y1047-W1081 AromaticContact CD1-CE3 3.87Å; Y1047-W1081 HydrophobicContact CD1-CE3 3.87Å; Y1047-W1081 HydrophobicContact CD1-CG 4.02Å; Y1047-W1081 HydrophobicContact CD1-CZ3 4.39Å; Y1047-W1081 AromaticContact CD2-CD1 3.44Å; Y1047-W1081 VanDerWaalsContact CD2-CD1 3.44Å; Y1047-W1081 AromaticContact CD2-CD2 3.77Å; Y1047-W1081 HydrophobicContact CD2-CD2 3.77Å; Y1047-W1081 AromaticContact CD2-CE2 3.35Å; Y1047-W1081 AromaticContact CD2-CG 3.88Å; Y1047-W1081 HydrophobicContact CD2-CG 3.88Å; Y1047-W1081 AromaticContact CD2-CZ2 3.96Å; Y1047-W1081 HydrophobicContact CD2-CZ2 3.96Å; Y1047-W1081 AromaticContact CD2-NE1 3.08Å; Y1047-W1081 HydrophobicContact CE1-CB 3.97Å; Y1047-W1081 AromaticContact CE1-CD2 3.9Å; Y1047-W1081 HydrophobicContact CE1-CD2 3.9Å; Y1047-W1081 HydrophobicContact CE1-CE3 4.29Å; Y1047-W1081 AromaticContact CE1-CG 3.69Å; Y1047-W1081 HydrophobicContact CE1-CG 3.69Å; Y1047-W1081 HydrophobicContact CE2-CB 4.4Å; Y1047-W1081 AromaticContact CE2-CD1 3.07Å; Y1047-W1081 AromaticContact CE2-CD2 4Å; Y1047-W1081 HydrophobicContact CE2-CD2 4Å; Y1047-W1081 AromaticContact CE2-CE2 3.88Å; Y1047-W1081 AromaticContact CE2-CG 3.58Å; Y1047-W1081 HydrophobicContact CE2-CG 3.58Å; Y1047-W1081 AromaticContact CE2-NE1 3.27Å; Y1047-W1081 VanDerWaalsContact CE2-NE1 3.27Å; Y1047-W1081 AromaticContact CG-CD2 3.64Å; Y1047-W1081 HydrophobicContact CG-CD2 3.64Å; Y1047-W1081 AromaticContact CG-CE2 3.46Å; Y1047-W1081 VanDerWaalsContact CG-CE2 3.46Å; Y1047-W1081 HydrophobicContact CG-CE3 4.06Å; Y1047-W1081 HydrophobicContact CG-CG 4.11Å; Y1047-W1081 HydrophobicContact CG-CH2 4.26Å; Y1047-W1081 AromaticContact CG-CZ2 3.81Å; Y1047-W1081 HydrophobicContact CG-CZ2 3.81Å; Y1047-W1081 HydrophobicContact CG-CZ3 4.33Å; Y1047-W1081 AromaticContact CG-NE1 3.73Å; Y1047-W1081 AromaticContact CZ-CD1 3.44Å; Y1047-W1081 VanDerWaalsContact CZ-CD1 3.44Å; Y1047-W1081 AromaticContact CZ-CG 3.49Å; Y1047-W1081 VanDerWaalsContact CZ-CG 3.49Å; S1077-W1081 WeakPolarHBondContact O-CB 3.41Å; S1077-W1081 PolarHBondContact O-N 3.04Å; F1078-W1081 PolarHBondContact O-N 2.96Å; W1081-T1083 VanDerWaalsContact C-N 3.33Å; W1081-F1084 HydrophobicContact CE3-CB 4.24Å; W1081-F1084 AromaticContact CE3-CD1 3.83Å; W1081-F1084 HydrophobicContact CE3-CD1 3.83Å; W1081-F1084 HydrophobicContact CE3-CE1 4.38Å; W1081-F1084 HydrophobicContact CE3-CG 4.19Å; W1081-F1084 HydrophobicContact CH2-CD1 4.2Å; W1081-F1084 HydrophobicContact CH2-CE1 4.02Å; W1081-F1084 HydrophobicContact CH2-CZ 4.24Å; W1081-F1084 HydrophobicContact CZ3-CB 4.47Å; W1081-F1084 AromaticContact CZ3-CD1 3.33Å; W1081-F1084 HydrophobicContact CZ3-CD1 3.33Å; W1081-F1084 AromaticContact CZ3-CE1 3.45Å; W1081-F1084 HydrophobicContact CZ3-CE1 3.45Å; W1081-F1084 VanDerWaalsContact CZ3-CE1 3.45Å; W1081-F1084 AromaticContact CZ3-CG 3.92Å; W1081-F1084 HydrophobicContact CZ3-CG 3.92Å; W1081-F1084 HydrophobicContact CZ3-CZ 4.11Å; W1081-F1084 PolarHBondContact O-N 3.43Å; W1081-L1085 VanDerWaalsContact O-CB 3.28Å; W1081-L1085 WeakPolarHBondContact O-CB 3.06Å; W1081-L1085 WeakPolarHBondContact O-CD1 3.4Å; W1081-L1085 WeakPolarHBondContact O-CG 3.39Å; W1081-L1085 PolarHBondContact O-N 2.8Å |
| 1082 | T | 65.8 | Low | 59.5 | Low | 45 Ų | 45 | 58.7 Ų | 58.7 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 169.4 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | F1078 N1079 S1086 L1094 | F1078-T1082 HydrophobicContact CD1-CG2 4.27Å; F1078-T1082 HydrophobicContact CE1-CG2 3.84Å; F1078-T1082 HydrophobicContact CE2-CG2 4.39Å; F1078-T1082 HydrophobicContact CZ-CG2 3.9Å; F1078-T1082 WeakPolarHBondContact O-CG2 3.43Å; F1078-T1082 PolarHBondContact O-N 3.5Å; F1078-T1082 PolarHBondContact O-OG1 3.3Å; N1079-T1082 PolarHBondContact O-OG1 3.4Å; T1082-S1086 WeakPolarHBondContact O-CB 3.2Å; T1082-S1086 PolarHBondContact O-N 3.25Å; T1082-L1094 HydrophobicContact CG2-CD1 4.16Å |
| 1083 | T | 62.8 | Low | 58.4 | Low | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | N1079 F1080 W1081 S1086 Y1087 | N1079-T1083 WeakPolarHBondContact O-CB 3.24Å; N1079-T1083 PolarHBondContact O-N 3.28Å; N1079-T1083 PolarHBondContact O-OG1 3.46Å; F1080-T1083 CarbonylContact O-C 3.58Å; F1080-T1083 WeakPolarHBondContact O-CB 3.43Å; F1080-T1083 PolarHBondContact O-N 3.17Å; F1080-T1083 VanDerWaalsContact O-N 3.16Å; W1081-T1083 VanDerWaalsContact C-N 3.33Å; T1083-S1086 WeakPolarHBondContact O-CB 3.11Å; T1083-S1086 PolarHBondContact O-N 2.86Å; T1083-S1086 PolarHBondContact O-OG 3.22Å; T1083-Y1087 WeakPolarHBondContact O-CB 3.28Å; T1083-Y1087 PolarHBondContact O-N 3.41Å |
| 1084 | F | 63.7 | Low | 57.7 | Low | 11 Ų | 11 | 64.2 Ų | 64.2 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 179.9 | -173.9 | -85.3 | 0 | 0 | 0 | 111.9 | F958 T1000 F1003 F1080 W1081 S1086 Y1087 F1088 | F958-F1084 HydrophobicContact CE2-CE1 4.1Å; F958-F1084 AromaticContact CE2-CZ 3.84Å; F958-F1084 HydrophobicContact CE2-CZ 3.84Å; T1000-F1084 HydrophobicContact CG2-CE2 4.18Å; T1000-F1084 WeakPolarHBondContact OG1-CE2 3.46Å; F1003-F1084 HydrophobicContact CD1-CZ 4.24Å; F1003-F1084 HydrophobicContact CE1-CZ 4.36Å; F1080-F1084 HydrophobicContact CD1-CB 4.39Å; F1080-F1084 HydrophobicContact CE1-CB 4.02Å; F1080-F1084 AromaticContact CE1-CD2 3.75Å; F1080-F1084 HydrophobicContact CE1-CD2 3.75Å; F1080-F1084 HydrophobicContact CE1-CE2 4.36Å; F1080-F1084 HydrophobicContact CE1-CG 4.05Å; F1080-F1084 HydrophobicContact CE2-CD2 4.14Å; F1080-F1084 HydrophobicContact CZ-CB 4.18Å; F1080-F1084 AromaticContact CZ-CD2 3.34Å; F1080-F1084 HydrophobicContact CZ-CD2 3.34Å; F1080-F1084 AromaticContact CZ-CE2 3.92Å; F1080-F1084 HydrophobicContact CZ-CE2 3.92Å; F1080-F1084 HydrophobicContact CZ-CG 4.07Å; F1080-F1084 VanDerWaalsContact O-CB 3.3Å; F1080-F1084 WeakPolarHBondContact O-CB 3.48Å; F1080-F1084 PolarHBondContact O-N 3Å; W1081-F1084 HydrophobicContact CE3-CB 4.24Å; W1081-F1084 AromaticContact CE3-CD1 3.83Å; W1081-F1084 HydrophobicContact CE3-CD1 3.83Å; W1081-F1084 HydrophobicContact CE3-CE1 4.38Å; W1081-F1084 HydrophobicContact CE3-CG 4.19Å; W1081-F1084 HydrophobicContact CH2-CD1 4.2Å; W1081-F1084 HydrophobicContact CH2-CE1 4.02Å; W1081-F1084 HydrophobicContact CH2-CZ 4.24Å; W1081-F1084 HydrophobicContact CZ3-CB 4.47Å; W1081-F1084 AromaticContact CZ3-CD1 3.33Å; W1081-F1084 HydrophobicContact CZ3-CD1 3.33Å; W1081-F1084 AromaticContact CZ3-CE1 3.45Å; W1081-F1084 HydrophobicContact CZ3-CE1 3.45Å; W1081-F1084 VanDerWaalsContact CZ3-CE1 3.45Å; W1081-F1084 AromaticContact CZ3-CG 3.92Å; W1081-F1084 HydrophobicContact CZ3-CG 3.92Å; W1081-F1084 HydrophobicContact CZ3-CZ 4.11Å; W1081-F1084 PolarHBondContact O-N 3.43Å; F1084-S1086 VanDerWaalsContact C-N 3.29Å; F1084-S1086 PolarHBondContact O-N 3.09Å; F1084-Y1087 WeakPolarHBondContact O-CB 3.5Å; F1084-Y1087 PolarHBondContact O-N 3.15Å; F1084-F1088 AromaticContact CD1-CD2 3.8Å; F1084-F1088 HydrophobicContact CD1-CD2 3.8Å; F1084-F1088 AromaticContact CD1-CE2 3.98Å; F1084-F1088 HydrophobicContact CD1-CE2 3.98Å; F1084-F1088 HydrophobicContact CD2-CE2 4.04Å; F1084-F1088 AromaticContact CE1-CD2 3.72Å; F1084-F1088 HydrophobicContact CE1-CD2 3.72Å; F1084-F1088 AromaticContact CE1-CE2 3.62Å; F1084-F1088 HydrophobicContact CE1-CE2 3.62Å; F1084-F1088 AromaticContact CE2-CE2 3.72Å; F1084-F1088 HydrophobicContact CE2-CE2 3.72Å; F1084-F1088 HydrophobicContact CG-CD2 4.25Å; F1084-F1088 HydrophobicContact CG-CE2 4.2Å; F1084-F1088 HydrophobicContact CZ-CD2 4.12Å; F1084-F1088 AromaticContact CZ-CE2 3.52Å; F1084-F1088 HydrophobicContact CZ-CE2 3.52Å; F1084-F1088 HydrophobicContact CZ-CZ 4.5Å; F1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; F1084-F1088 PolarHBondContact O-N 3.17Å; F1084-F1088 VanDerWaalsContact O-N 3.1Å |
| 1085 | L | 65.2 | Low | 56.3 | Low | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 173.9 | -70.2 | 169.7 | 0 | 0 | 0 | 111.3 | W1081 N1089 Y1090 L1092 | W1081-L1085 VanDerWaalsContact O-CB 3.28Å; W1081-L1085 WeakPolarHBondContact O-CB 3.06Å; W1081-L1085 WeakPolarHBondContact O-CD1 3.4Å; W1081-L1085 WeakPolarHBondContact O-CG 3.39Å; W1081-L1085 PolarHBondContact O-N 2.8Å; L1085-N1089 PolarHBondContact O-N 3.08Å; L1085-N1089 VanDerWaalsContact O-N 3.17Å; L1085-Y1090 HydrophobicContact CD2-CD2 3.84Å; L1085-Y1090 HydrophobicContact CD2-CG 3.94Å; L1085-Y1090 PolarHBondContact O-N 2.96Å; L1085-L1092 HydrophobicContact CD1-CD1 4.29Å; L1085-L1092 HydrophobicContact CD2-CD1 4.01Å |
| 1086 | S | 63 | Low | 55.2 | Low | 77 Ų | 77 | 68.8 Ų | 68.8 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 174.4 | 85 | 0 | 0 | 0 | 0 | 112.5 | T1082 T1083 F1084 F1088 N1089 | T1082-S1086 WeakPolarHBondContact O-CB 3.2Å; T1082-S1086 PolarHBondContact O-N 3.25Å; T1083-S1086 WeakPolarHBondContact O-CB 3.11Å; T1083-S1086 PolarHBondContact O-N 2.86Å; T1083-S1086 PolarHBondContact O-OG 3.22Å; F1084-S1086 VanDerWaalsContact C-N 3.29Å; F1084-S1086 PolarHBondContact O-N 3.09Å; S1086-F1088 VanDerWaalsContact C-N 3.33Å; S1086-F1088 PolarHBondContact O-N 3.02Å; S1086-N1089 PolarHBondContact O-N 3.48Å |
| 1087 | Y | 55 | Low | 54.4 | Low | 143 Ų | 143 | 77 Ų | 77 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | -179.5 | -169.8 | -94.9 | 0 | 0 | 0 | 111.8 | L965 T1083 F1084 N1089 | L965-Y1087 HydrophobicContact CD1-CE1 3.77Å; L965-Y1087 WeakPolarHBondContact CD1-OH 3.29Å; L965-Y1087 HydrophobicContact CD2-CE1 4.04Å; L965-Y1087 HydrophobicContact CG-CE1 4.49Å; T1083-Y1087 WeakPolarHBondContact O-CB 3.28Å; T1083-Y1087 PolarHBondContact O-N 3.41Å; F1084-Y1087 WeakPolarHBondContact O-CB 3.5Å; F1084-Y1087 PolarHBondContact O-N 3.15Å; Y1087-N1089 VanDerWaalsContact C-N 3.33Å |
| 1088 | F | 55.7 | Low | 53.2 | Low | 13 Ų | 13 | 81.6 Ų | 81.6 | 6% | 0.057 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.1 | 173.6 | -66.7 | -65.3 | 0 | 0 | 0 | 114.6 | F958 K961 F962 L965 F1084 S1086 Y1090 | F958-F1088 HydrophobicContact CE2-CE2 4.39Å; K961-F1088 HydrophobicContact CB-CD1 3.75Å; K961-F1088 HydrophobicContact CB-CE1 4.25Å; K961-F1088 HydrophobicContact CB-CG 4.49Å; K961-F1088 HydrophobicContact CD-CD1 4.43Å; F962-F1088 HydrophobicContact CD2-CZ 4.11Å; L965-F1088 HydrophobicContact CB-CE1 4.08Å; L965-F1088 HydrophobicContact CD2-CE1 3.93Å; L965-F1088 HydrophobicContact CD2-CZ 3.64Å; F1084-F1088 AromaticContact CD1-CD2 3.8Å; F1084-F1088 HydrophobicContact CD1-CD2 3.8Å; F1084-F1088 AromaticContact CD1-CE2 3.98Å; F1084-F1088 HydrophobicContact CD1-CE2 3.98Å; F1084-F1088 HydrophobicContact CD2-CE2 4.04Å; F1084-F1088 AromaticContact CE1-CD2 3.72Å; F1084-F1088 HydrophobicContact CE1-CD2 3.72Å; F1084-F1088 AromaticContact CE1-CE2 3.62Å; F1084-F1088 HydrophobicContact CE1-CE2 3.62Å; F1084-F1088 AromaticContact CE2-CE2 3.72Å; F1084-F1088 HydrophobicContact CE2-CE2 3.72Å; F1084-F1088 HydrophobicContact CG-CD2 4.25Å; F1084-F1088 HydrophobicContact CG-CE2 4.2Å; F1084-F1088 HydrophobicContact CZ-CD2 4.12Å; F1084-F1088 AromaticContact CZ-CE2 3.52Å; F1084-F1088 HydrophobicContact CZ-CE2 3.52Å; F1084-F1088 HydrophobicContact CZ-CZ 4.5Å; F1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; F1084-F1088 PolarHBondContact O-N 3.17Å; F1084-F1088 VanDerWaalsContact O-N 3.1Å; S1086-F1088 VanDerWaalsContact C-N 3.33Å; S1086-F1088 PolarHBondContact O-N 3.02Å; F1088-Y1090 VanDerWaalsContact C-N 3.35Å; F1088-Y1090 HydrophobicContact CB-CD2 3.56Å; F1088-Y1090 HydrophobicContact CB-CE2 3.48Å; F1088-Y1090 VanDerWaalsContact CB-CE2 3.48Å; F1088-Y1090 HydrophobicContact CG-CE2 4.33Å; F1088-Y1090 PolarHBondContact O-N 3.26Å |
| 1089 | N | 54.8 | Low | 51.7 | Low | 133 Ų | 133 | 86.7 Ų | 86.7 | 71% | 0.711 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 28.8 | -179.5 | -85.3 | -75.8 | 0 | 0 | 0 | 115.9 | L1085 S1086 Y1087 K1091 | L1085-N1089 PolarHBondContact O-N 3.08Å; L1085-N1089 VanDerWaalsContact O-N 3.17Å; S1086-N1089 PolarHBondContact O-N 3.48Å; Y1087-N1089 VanDerWaalsContact C-N 3.33Å; N1089-K1091 PolarHBondContact O-N 3.21Å; N1089-K1091 VanDerWaalsContact O-N 3.08Å |
| 1090 | Y | 55 | Low | 50.2 | Low | 41 Ų | 41 | 87.9 Ų | 87.9 | 16% | 0.161 | 46% | 0.455 | C | S | . | . | trans | -73.8 | 97.3 | 173.1 | -71.3 | -83.6 | 0 | 0 | 0 | 111.7 | L957 F958 L1085 F1088 L1092 | L957-Y1090 HydrophobicContact CB-CE1 4.29Å; F958-Y1090 VanDerWaalsContact CA-OH 3.23Å; F958-Y1090 WeakPolarHBondContact CA-OH 3.36Å; F958-Y1090 PolarHBondContact N-OH 3.17Å; F958-Y1090 VanDerWaalsContact N-OH 3.16Å; L1085-Y1090 HydrophobicContact CD2-CD2 3.84Å; L1085-Y1090 HydrophobicContact CD2-CG 3.94Å; L1085-Y1090 PolarHBondContact O-N 2.96Å; F1088-Y1090 VanDerWaalsContact C-N 3.35Å; F1088-Y1090 HydrophobicContact CB-CD2 3.56Å; F1088-Y1090 HydrophobicContact CB-CE2 3.48Å; F1088-Y1090 VanDerWaalsContact CB-CE2 3.48Å; F1088-Y1090 HydrophobicContact CG-CE2 4.33Å; F1088-Y1090 PolarHBondContact O-N 3.26Å; Y1090-L1092 VanDerWaalsContact C-N 3.32Å; Y1090-L1092 PolarHBondContact O-N 2.64Å; Y1090-L1092 VanDerWaalsContact O-N 3.09Å | ||
| 1091 | K | 42.5 | Very low | 48.5 | Very low | 203 Ų | 203 | 91.6 Ų | 91.6 | 88% | 0.883 | 49% | 0.486 | S | S | * | . | trans | -80 | 75.7 | 167 | -74.2 | -167.9 | 175.2 | -174.3 | 0 | 111.5 | N1089 | N1089-K1091 PolarHBondContact O-N 3.21Å; N1089-K1091 VanDerWaalsContact O-N 3.08Å | ||
| 1092 | L | 44.4 | Very low | 46.8 | Very low | 47 Ų | 47 | 99.9 Ų | 99.9 | 25% | 0.246 | 52% | 0.524 | C | S | . | . | trans | -80.9 | 143.5 | 163.8 | -67.6 | 123.1 | 0 | 0 | 0 | 110.4 | Y1050 L1066 L1085 Y1090 L1094 | Y1050-L1092 WeakPolarHBondContact OH-CD1 3.49Å; Y1050-L1092 WeakPolarHBondContact OH-CD2 3.49Å; L1066-L1092 HydrophobicContact CD2-CD1 4.3Å; L1066-L1092 HydrophobicContact CD2-CD2 3.9Å; L1085-L1092 HydrophobicContact CD1-CD1 4.29Å; L1085-L1092 HydrophobicContact CD2-CD1 4.01Å; Y1090-L1092 VanDerWaalsContact C-N 3.32Å; Y1090-L1092 PolarHBondContact O-N 2.64Å; Y1090-L1092 VanDerWaalsContact O-N 3.09Å; L1092-L1094 PolarHBondContact O-N 3.45Å | ||
| 1093 | P | 39.6 | Very low | 45.2 | Very low | 116 Ų | 116 | 103.4 Ų | 103.4 | 75% | 0.753 | 55% | 0.548 | S | S | * | . | trans | -74.5 | 80.3 | 169 | 32.6 | -33.6 | 0 | 0 | 0 | 109.6 | ||||
| 1094 | L | 43.7 | Very low | 43.8 | Very low | 66 Ų | 66 | 108.7 Ų | 108.7 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | trans | -52.9 | 134 | 164.8 | -84.5 | 164.9 | 0 | 0 | 0 | 109 | I1070 F1078 T1082 L1092 Q1096 | I1070-L1094 HydrophobicContact CD1-CD2 3.72Å; F1078-L1094 HydrophobicContact CE2-CD2 4.49Å; T1082-L1094 HydrophobicContact CG2-CD1 4.16Å; L1092-L1094 PolarHBondContact O-N 3.45Å; L1094-Q1096 PolarHBondContact O-N 2.7Å | ||
| 1095 | P | 35.7 | Very low | 42.1 | Very low | 62 Ų | 62 | 117 Ų | 117 | 40% | 0.403 | 61% | 0.606 | S | S | . | * | trans | -53.8 | 131.4 | 176.5 | -26.8 | 34.9 | 0 | 0 | 0 | 110.8 | L1067 F1097 L1098 | L1067-P1095 HydrophobicContact CD2-CG 4.35Å; P1095-F1097 PolarHBondContact O-N 2.88Å; P1095-L1098 PolarHBondContact O-N 3.39Å | ||
| 1096 | Q | 37.8 | Very low | 40.6 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 85% | 0.85 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -63.6 | -1.5 | -171.4 | -70.3 | -179.5 | -38 | 0 | 0 | 114.9 | L1094 L1098 | L1094-Q1096 PolarHBondContact O-N 2.7Å; Q1096-L1098 VanDerWaalsContact C-N 3.35Å |
| 1097 | F | 37.7 | Very low | 39 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 88% | 0.882 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -80.2 | -3.8 | 178.3 | -68.1 | -82.8 | 0 | 0 | 0 | 115.1 | P1095 | P1095-F1097 PolarHBondContact O-N 2.88Š|
| 1098 | L | 35.3 | Very low | 37.8 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -116.4 | 13.6 | -176.6 | -67.3 | 178.1 | 0 | 0 | 0 | 115.1 | I1070 F1078 P1095 Q1096 | I1070-L1098 HydrophobicContact CG2-CD1 4.15Å; F1078-L1098 HydrophobicContact CE2-CD1 4.08Å; F1078-L1098 HydrophobicContact CZ-CB 4.25Å; F1078-L1098 HydrophobicContact CZ-CD1 3.91Å; P1095-L1098 PolarHBondContact O-N 3.39Å; Q1096-L1098 VanDerWaalsContact C-N 3.35Å |
| 1099 | L | 34.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -107.5 | 128.3 | 169.7 | -84.4 | 162.9 | 0 | 0 | 0 | 110 | S1101 | L1099-S1101 PolarHBondContact O-N 3.29Š|
| 1100 | P | 31.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136 | 165.6 | 28.9 | -33 | 0 | 0 | 0 | 108.8 | Q1102 | P1100-Q1102 PolarHBondContact O-N 3.14Š|
| 1101 | S | 29 | Very low | 34 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.6 | -173.4 | 37.3 | 0 | 0 | 0 | 0 | 112.1 | L1099 | L1099-S1101 PolarHBondContact O-N 3.29Š|
| 1102 | Q | 29.2 | Very low | 33.2 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 131.7 | 161.8 | -72 | -165.4 | -10.2 | 0 | 0 | 109.2 | P1100 | P1100-Q1102 PolarHBondContact O-N 3.14Š|
| 1103 | P | 34.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 139.7 | 163.3 | 30.7 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 1104 | E | 32.6 | Very low | 31.5 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 154.9 | -177.4 | -68.9 | -170.2 | 119.8 | 0 | 0 | 113.4 | ||
| 1105 | Q | 28.4 | Very low | 30.7 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 132.6 | -174.5 | -58.7 | 174.8 | 11.6 | 0 | 0 | 112.1 | ||
| 1106 | T | 33 | Very low | 30.2 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -127.4 | 147.1 | 145.6 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1107 | A | 28.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -102.1 | 142.9 | -156.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1108 | T | 31.3 | Very low | 29 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | -172.5 | 117.9 | 114.2 | 27.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1109 | K | 26.6 | Very low | 28.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | 37.4 | 135.2 | 135.3 | -80.5 | -175.5 | 175.8 | 179.5 | 0 | 123.2 | ||||
| 1110 | V | 27.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | 72.4 | 161.2 | 159.2 | -107 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1111 | P | 31.4 | Very low | 28 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | -134.4 | 164.7 | -111.3 | 44.3 | -26.6 | 0 | 0 | 0 | 118.1 | |||||
| 1112 | F | 25.1 | Very low | 28.1 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 43.4 | 127 | 149.9 | -146.4 | -100.6 | 0 | 0 | 0 | 121.3 | ||||
| 1113 | K | 23.2 | Very low | 28 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 91.3 | 147.2 | 158.3 | -124.5 | -176 | 170.9 | -134.5 | 0 | 118.9 | ||||
| 1114 | E | 24.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 64.5 | 83.5 | 162 | -74.7 | 162.2 | -139.1 | 0 | 0 | 119 | ||||
| 1115 | T | 27.2 | Very low | 27.3 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -148.6 | 88.8 | 123.9 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1116 | F | 25.2 | Very low | 27.4 | Very low | 204 Ų | 204 | 147.4 Ų | 147.4 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -98 | 152.9 | 156.5 | -121.5 | -97.9 | 0 | 0 | 0 | 107.3 | ||||
| 1117 | S | 24.1 | Very low | 27.2 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 97.1 | -176.8 | -50.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1118 | N | 25.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | 174.1 | 80.4 | 121.3 | -87 | -14.9 | 0 | 0 | 0 | 111.5 | |||||
| 1119 | L | 26.9 | Very low | 26.8 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -158.7 | 59.9 | 160.3 | -114.1 | 164 | 0 | 0 | 0 | 109.8 | ||||
| 1120 | F | 27.4 | Very low | 27.4 | Very low | 219 Ų | 219 | 142.6 Ų | 142.6 | 96% | 0.961 | 76% | 0.764 | S | S | * | * | trans | -108.8 | 134.2 | 164.4 | -100.7 | -74.3 | 0 | 0 | 0 | 108.6 | ||||
| 1121 | G | 27.9 | Very low | 27.3 | Very low | 58 Ų | 58 | 142.6 Ų | 142.6 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | 125.8 | 128.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1122 | N | 29.5 | Very low | 27 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | cis | -146.5 | 162.5 | -6.9 | -111.6 | 48.5 | 0 | 0 | 0 | 108.7 | ||||
| 1123 | D | 28.4 | Very low | 26.9 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 24.6 | 134 | 150.6 | -39.8 | -41.9 | 0 | 0 | 0 | 119.3 | ||||
| 1124 | S | 26.4 | Very low | 27 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -170.7 | 133.7 | 49.6 | 163.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1125 | W | 26.1 | Very low | 27 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 23.6 | 121.9 | 143.5 | -49.4 | 81.5 | 0 | 0 | 0 | 118.6 | ||||
| 1126 | L | 28.7 | Very low | 26.9 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | -179.1 | 153.1 | 78 | -83.3 | 174.8 | 0 | 0 | 0 | 107.4 | |||||
| 1127 | L | 30.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | cis | -142 | 168.5 | -1.8 | -84.7 | 138.9 | 0 | 0 | 0 | 106.5 | ||||
| 1128 | A | 27.1 | Very low | 27.2 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | cis | 81 | 136.2 | 34.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1129 | N | 24.4 | Very low | 27.2 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | cis | -160.8 | 174.9 | -7.1 | -119.9 | 4.9 | 0 | 0 | 0 | 112 | ||||
| 1130 | P | 38.3 | Very low | 27.3 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | trans | -99.4 | -166.7 | -175.8 | 42.1 | -37.8 | 0 | 0 | 0 | 113.8 | ||||
| 1131 | F | 25.5 | Very low | 27.2 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | trans | 25.6 | 126.3 | 152 | -71.9 | -65.8 | 0 | 0 | 0 | 118.3 | F902 | F902-F1131 AromaticContact CE1-CE2 3.95Å; F902-F1131 HydrophobicContact CE1-CE2 3.95Å; F902-F1131 HydrophobicContact CE1-CZ 4.37Å; F902-F1131 AromaticContact CZ-CE2 3.69Å; F902-F1131 HydrophobicContact CZ-CE2 3.69Å; F902-F1131 HydrophobicContact CZ-CZ 4.17Å | ||
| 1132 | I | 24.2 | Very low | 27.1 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 73% | 0.728 | S | S | * | * | -172.8 | 172 | 52.6 | -117.5 | 151.5 | 0 | 0 | 0 | 109.3 | |||||
| 1133 | C | 24.2 | Very low | 26.8 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -108.5 | 143.9 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1134 | G | 24 | Very low | 26.6 | Very low | 50 Ų | 50 | 135.8 Ų | 135.8 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | cis | 165.9 | -165.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1135 | T | 25.1 | Very low | 26.5 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | 63.8 | 154.2 | -177.4 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1136 | I | 25.7 | Very low | 26.4 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | cis | -150.6 | 151.1 | 8.1 | -131.1 | 153.7 | 0 | 0 | 0 | 110 | ||||
| 1137 | E | 25.5 | Very low | 26.2 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | 27 | 158.6 | 148.6 | -58.2 | -177.9 | -166.3 | 0 | 0 | 124 | ||||
| 1138 | N | 28.9 | Very low | 26 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -157.4 | 167.3 | 7.5 | -135.2 | -36.3 | 0 | 0 | 0 | 115.7 | ||||
| 1139 | T | 26.3 | Very low | 26.2 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | 44.5 | 106.8 | 154.8 | 53.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1140 | T | 29.8 | Very low | 26.3 | Very low | 155 Ų | 155 | 134 Ų | 134 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | 163.2 | 150.1 | 117.7 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1141 | G | 24.9 | Very low | 25.7 | Very low | 58 Ų | 58 | 136.9 Ų | 136.9 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | cis | 164.1 | 128.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1142 | F | 26.2 | Very low | 25.8 | Very low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | 67.3 | 124.7 | -169.3 | -58.7 | -93.6 | 0 | 0 | 0 | 114 | ||||
| 1143 | R | 23.2 | Very low | 26.1 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | 74.7 | 101.1 | 54.7 | -74.7 | -169.3 | 171.3 | -173.1 | -1.4 | 114.6 | |||||
| 1144 | L | 23.6 | Very low | 26.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | 38.3 | 121.3 | 133.5 | -65.8 | 165.2 | 0 | 0 | 0 | 118.9 | ||||
| 1145 | L | 24.4 | Very low | 26.4 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | -168.6 | 127.8 | 117.7 | -104.4 | 160.6 | 0 | 0 | 0 | 114.4 | |||||
| 1146 | S | 23.9 | Very low | 26.6 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | 17.4 | 116.1 | 153.3 | 60.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1147 | C | 25.5 | Very low | 26.8 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 97% | 0.966 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 135.7 | 142.7 | -165 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1148 | S | 25.6 | Very low | 26.9 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -140.6 | 121 | -171.7 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1149 | K | 30.5 | Very low | 27 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 170.3 | 122.8 | 127.8 | -93.5 | 163.3 | -175.9 | 177.6 | 0 | 113 | |||||
| 1150 | T | 27 | Very low | 27.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 15.8 | 130.1 | 131.9 | 52.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1151 | M | 25.4 | Very low | 27.2 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | cis | -144.7 | 160.7 | 9.5 | -88.6 | 141.3 | 81.2 | 0 | 0 | 107.9 | ||||
| 1152 | T | 28.9 | Very low | 27.3 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -150.5 | 107.8 | 46 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1153 | I | 29.5 | Very low | 27.5 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 97.8 | 134.7 | -58.1 | 178 | 0 | 0 | 0 | 118.3 | ||||
| 1154 | N | 27.6 | Very low | 27.9 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | 64.1 | 142.5 | 120.9 | -59.3 | -10.1 | 0 | 0 | 0 | 120.2 | |||||
| 1155 | R | 27.3 | Very low | 28.3 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | -168.4 | 158.2 | 5.3 | -123.1 | -176.5 | -177.1 | 170.9 | -2.5 | 109.4 | ||||
| 1156 | T | 29 | Very low | 28.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | trans | 45.3 | 139.5 | 146.6 | 59.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1157 | D | 30.1 | Very low | 28.8 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | cis | -159.1 | 155.1 | -7.1 | -97.6 | -29.9 | 0 | 0 | 0 | 111.2 | ||||
| 1158 | V | 28.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | trans | -1.1 | 125 | 150.8 | -175.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1159 | E | 30.1 | Very low | 29.5 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | -157.5 | 178.3 | 121.9 | -121.2 | 169.2 | -151.6 | 0 | 0 | 111.9 | |||||
| 1160 | Q | 27.9 | Very low | 29.5 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -114 | 147.5 | -164 | -52.7 | 173.4 | -85.7 | 0 | 0 | 112.7 | ||||
| 1161 | E | 32.4 | Very low | 29.7 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | -172.9 | 147 | 128.9 | -110.3 | -179.1 | -177.4 | 0 | 0 | 112.8 | |||||
| 1162 | E | 27.7 | Very low | 30 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -94.6 | 121.2 | 165.1 | -69.1 | -176 | 123.9 | 0 | 0 | 109.2 | ||||
| 1163 | V | 30.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 58% | 0.576 | 72% | 0.723 | S | S | * | * | trans | -104.6 | 121.2 | -177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | N1167 | V1163-N1167 HydrophobicContact CG1-CB 3.9Å; V1163-N1167 WeakPolarHBondContact CG1-ND2 3.32Å | ||
| 1164 | S | 31.7 | Very low | 29.9 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 56% | 0.559 | 73% | 0.729 | S | S | * | * | trans | -69.1 | 160 | 176.7 | 81.7 | 0 | 0 | 0 | 0 | 112.7 | A1166 | S1164-A1166 PolarHBondContact O-N 3.32Š| ||
| 1165 | P | 30.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 145 Ų | 145 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 20.3 | -178.4 | 28.9 | -36.4 | 0 | 0 | 0 | 115.8 | ||
| 1166 | A | 28.7 | Very low | 30.1 | Very low | 55 Ų | 55 | 142.1 Ų | 142.1 | 46% | 0.455 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -31.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1164 H1168 L1169 | S1164-A1166 PolarHBondContact O-N 3.32Å; A1166-H1168 PolarHBondContact O-N 3.5Å; A1166-L1169 PolarHBondContact O-N 3.35Å |
| 1167 | N | 31.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 46% | 0.46 | 76% | 0.759 | S | S | . | * | G | 310 helix | trans | -77.4 | -18.2 | -165.7 | -75.8 | 4.1 | 0 | 0 | 0 | 115.1 | V1163 L1169 I1170 | V1163-N1167 HydrophobicContact CG1-CB 3.9Å; V1163-N1167 WeakPolarHBondContact CG1-ND2 3.32Å; N1167-L1169 PolarHBondContact O-N 2.99Å; N1167-I1170 PolarHBondContact O-N 3.18Å |
| 1168 | H | 33.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -77.1 | -1.6 | 175.3 | -105.9 | 2.8 | 0 | 0 | 0 | 114.6 | A1166 E1171 | A1166-H1168 PolarHBondContact O-N 3.5Å; H1168-E1171 IonicContact CE1-OE2 3.87Å; H1168-E1171 IonicContact ND1-OE2 3.47Å; H1168-E1171 PolarHBondContact ND1-OE2 2.92Å |
| 1169 | L | 32 | Very low | 29.6 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -91.3 | -13.6 | 170.1 | -128.7 | 78 | 0 | 0 | 0 | 113.6 | A1166 N1167 | A1166-L1169 PolarHBondContact O-N 3.35Å; N1167-L1169 PolarHBondContact O-N 2.99Å |
| 1170 | I | 31.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -26.8 | -170.4 | -64.3 | 176.1 | 0 | 0 | 0 | 111.9 | N1167 R1172 | N1167-I1170 PolarHBondContact O-N 3.18Å; I1170-R1172 VanDerWaalsContact C-N 3.25Å; I1170-R1172 PolarHBondContact O-N 3.26Å |
| 1171 | E | 31.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 7.3 | -178.3 | -64.4 | -173.4 | 115 | 0 | 0 | 115.5 | H1168 | H1168-E1171 IonicContact CE1-OE2 3.87Å; H1168-E1171 IonicContact ND1-OE2 3.47Å; H1168-E1171 PolarHBondContact ND1-OE2 2.92Å |
| 1172 | R | 31 | Very low | 28.9 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 22.1 | 179.6 | -80 | -163.5 | 167.2 | -148.8 | -5.2 | 115.7 | I1170 | I1170-R1172 VanDerWaalsContact C-N 3.25Å; I1170-R1172 PolarHBondContact O-N 3.26Å |
| 1173 | L | 26.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -113.6 | 22.2 | 179.8 | -106.2 | 164.7 | 0 | 0 | 0 | 119 | ||||
| 1174 | P | 28.4 | Very low | 28.6 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -117.8 | 46.8 | 169.3 | 42.5 | -34.1 | 0 | 0 | 0 | 115.4 | ||
| 1175 | E | 29.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -142.6 | 29.5 | 175.8 | -143.1 | 169.2 | -129 | 0 | 0 | 116.4 | ||||
| 1176 | V | 30.8 | Very low | 28 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -132.6 | 62.9 | 169.2 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1177 | Q | 25.7 | Very low | 27.9 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 97% | 0.967 | 78% | 0.776 | S | S | * | * | trans | -123.6 | 95.9 | 155.4 | -76.1 | -166.2 | -10.2 | 0 | 0 | 108.5 | ||||
| 1178 | G | 27.2 | Very low | 27.6 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -155.5 | 45.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1179 | V | 24.6 | Very low | 27.2 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | 44.5 | 96.2 | 158.7 | -169.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1180 | A | 25.4 | Very low | 27.2 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | -145 | 150.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1181 | Y | 26.3 | Very low | 26.9 | Very low | 230 Ų | 230 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 72.9 | 52.4 | 175.8 | -63.3 | -72.3 | 0 | 0 | 0 | 119.3 | ||
| 1182 | A | 23.6 | Very low | 26.8 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -139.2 | 48.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1183 | N | 27 | Very low | 26.6 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -173.3 | 145.1 | 168.8 | -94.5 | -31.7 | 0 | 0 | 0 | 108.4 | ||||
| 1184 | L | 25.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | cis | -152.1 | 152.4 | -14.8 | -170.7 | 74.3 | 0 | 0 | 0 | 107.7 | ||||
| 1185 | A | 22.3 | Very low | 26.6 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | trans | -90.8 | 140.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1186 | R | 25.5 | Very low | 26.9 | Very low | 241 Ų | 241 | 138.8 Ų | 138.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 144.2 | 174.3 | -50.2 | 166.2 | -179.5 | 163 | 0.5 | 112.9 | ||||
| 1187 | S | 27 | Very low | 26.8 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | cis | -149.5 | 177.1 | 15.9 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1188 | Q | 25.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -163.7 | 157.3 | 2.4 | -143.4 | 165.7 | 12.5 | 0 | 0 | 111.3 | ||||
| 1189 | S | 25.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 68.3 | 151.5 | 163.7 | 82.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1190 | Q | 30.3 | Very low | 27.1 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -125.9 | 137.8 | 3.4 | -70.8 | 179.7 | -3.4 | 0 | 0 | 110 | ||||
| 1191 | C | 25.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 54.4 | 125.6 | 105.8 | -110.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 1192 | T | 29 | Very low | 27.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | cis | -161.1 | 168 | 37.4 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1193 | D | 27.3 | Very low | 27.9 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -160.4 | 178.7 | -19.4 | -120 | -55 | 0 | 0 | 0 | 111.2 | ||||
| 1194 | A | 28.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 80.5 | 116.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1195 | M | 26.5 | Very low | 29 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -88.9 | -168.5 | 173.2 | -93.5 | -84.8 | -177.3 | 0 | 0 | 112.1 | ||||
| 1196 | P | 36.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | cis | -141.8 | 176.5 | -1.7 | 26.7 | -1.3 | 0 | 0 | 0 | 119 | ||||
| 1197 | T | 27 | Very low | 30.2 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 83.5 | 137.2 | 138.5 | 36.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1198 | Q | 25.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -76.8 | 147.8 | 174 | -46.1 | 129.1 | -73.9 | 0 | 0 | 113.2 | ||||
| 1199 | V | 27 | Very low | 31.4 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 90% | 0.903 | 73% | 0.732 | S | S | * | * | -155.5 | 111.6 | 120.6 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1200 | A | 31.4 | Very low | 32.1 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 161.3 | 85.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1201 | R | 27.1 | Very low | 32.4 | Very low | 242 Ų | 242 | 126.7 Ų | 126.7 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | -147.1 | 65.1 | 173.2 | -82.5 | -165.9 | 172.3 | 178.6 | -2.7 | 112.5 | ||||
| 1202 | T | 31.9 | Very low | 33.3 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -150.6 | -11.2 | 176.6 | 10.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1203 | Q | 34 | Very low | 34.2 | Very low | 179 Ų | 179 | 123 Ų | 123 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -118 | -8.8 | -176 | -77 | -178 | -37.9 | 0 | 0 | 115.7 | ||
| 1204 | T | 36.8 | Very low | 35 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 64% | 0.638 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -88.8 | 0.7 | -177.6 | 46.3 | 0 | 0 | 0 | 0 | 114.8 | V1208 | T1204-V1208 VanDerWaalsContact O-CG2 3.3Å; T1204-V1208 WeakPolarHBondContact O-CG2 3.39Å |
| 1205 | N | 38.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -6.8 | -168.3 | -149.6 | -11.8 | 0 | 0 | 0 | 114.5 | R1209 | N1205-R1209 WeakPolarHBondContact O-CD 3.29Å; N1205-R1209 WeakPolarHBondContact O-CG 3.28Å |
| 1206 | T | 38.6 | Very low | 36.9 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -62.1 | 167.4 | 16.8 | 0 | 0 | 0 | 0 | 110 | V1208 R1209 E1210 | T1206-V1208 VanDerWaalsContact C-N 3.31Å; T1206-V1208 PolarHBondContact O-N 3.36Å; T1206-R1209 CarbonylContact O-C 3.56Å; T1206-R1209 WeakPolarHBondContact O-CA 3.41Å; T1206-R1209 PolarHBondContact O-N 3.24Å; T1206-E1210 VanDerWaalsContact C-OE2 3.3Å; T1206-E1210 PolarHBondContact O-N 3.48Å |
| 1207 | A | 34.9 | Very low | 37.5 | Very low | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -52.3 | -44.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1209 E1210 C1211 | A1207-R1209 VanDerWaalsContact C-N 3.33Å; A1207-R1209 PolarHBondContact O-N 3.23Å; A1207-E1210 WeakPolarHBondContact CA-OE2 3.48Å; A1207-E1210 PolarHBondContact N-OE2 3.39Å; A1207-E1210 PolarHBondContact O-N 3.23Å; A1207-C1211 WeakPolarHBondContact O-CB 3.47Å; A1207-C1211 PolarHBondContact O-N 3.49Å; A1207-C1211 PolarHBondContact O-SG 2.87Å |
| 1208 | V | 36.9 | Very low | 38.3 | Very low | 79 Ų | 79 | 103.4 Ų | 103.4 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -35.1 | 177.2 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | T1204 T1206 F1212 | T1204-V1208 VanDerWaalsContact O-CG2 3.3Å; T1204-V1208 WeakPolarHBondContact O-CG2 3.39Å; T1206-V1208 VanDerWaalsContact C-N 3.31Å; T1206-V1208 PolarHBondContact O-N 3.36Å; V1208-F1212 HydrophobicContact CG1-CD2 4.09Å; V1208-F1212 HydrophobicContact CG1-CE2 4.44Å; V1208-F1212 WeakPolarHBondContact O-CB 3.26Å; V1208-F1212 WeakPolarHBondContact O-CD2 3.38Å; V1208-F1212 PolarHBondContact O-N 3.32Å |
| 1209 | R | 41.3 | Very low | 39.6 | Very low | 179 Ų | 179 | 97.1 Ų | 97.1 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -77.7 | -30.7 | 177.1 | -67 | -177.6 | 80.1 | -175.9 | 5.6 | 112.5 | N1205 T1206 A1207 A1213 | N1205-R1209 WeakPolarHBondContact O-CD 3.29Å; N1205-R1209 WeakPolarHBondContact O-CG 3.28Å; T1206-R1209 CarbonylContact O-C 3.56Å; T1206-R1209 WeakPolarHBondContact O-CA 3.41Å; T1206-R1209 PolarHBondContact O-N 3.24Å; A1207-R1209 VanDerWaalsContact C-N 3.33Å; A1207-R1209 PolarHBondContact O-N 3.23Å; R1209-A1213 VanDerWaalsContact O-CB 3.3Å; R1209-A1213 WeakPolarHBondContact O-CB 3.47Å; R1209-A1213 PolarHBondContact O-N 2.94Å |
| 1210 | E | 40.2 | Very low | 41 | Very low | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -47.2 | 172.6 | -73.1 | 156.7 | 165.7 | 0 | 0 | 110 | T1206 A1207 F1212 A1213 V1214 | T1206-E1210 VanDerWaalsContact C-OE2 3.3Å; T1206-E1210 PolarHBondContact O-N 3.48Å; A1207-E1210 WeakPolarHBondContact CA-OE2 3.48Å; A1207-E1210 PolarHBondContact N-OE2 3.39Å; A1207-E1210 PolarHBondContact O-N 3.23Å; E1210-F1212 PolarHBondContact O-N 3.4Å; E1210-A1213 PolarHBondContact O-N 2.74Å; E1210-A1213 VanDerWaalsContact O-N 3.16Å; E1210-V1214 WeakPolarHBondContact O-CB 3.38Å; E1210-V1214 WeakPolarHBondContact O-CG2 3.42Å; E1210-V1214 PolarHBondContact O-N 3.15Å |
| 1211 | C | 36.6 | Very low | 41.8 | Very low | 79 Ų | 79 | 96.7 Ų | 96.7 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 169.4 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | A1207 A1213 V1214 V1215 | A1207-C1211 WeakPolarHBondContact O-CB 3.47Å; A1207-C1211 PolarHBondContact O-N 3.49Å; A1207-C1211 PolarHBondContact O-SG 2.87Å; C1211-A1213 VanDerWaalsContact C-N 3.33Å; C1211-A1213 PolarHBondContact O-N 3.26Å; C1211-V1214 PolarHBondContact O-N 3.45Å; C1211-V1215 WeakPolarHBondContact O-CB 3.19Å; C1211-V1215 VanDerWaalsContact O-CG2 3.26Å; C1211-V1215 WeakPolarHBondContact O-CG2 3.41Å; C1211-V1215 PolarHBondContact O-N 3.48Å |
| 1212 | F | 42.8 | Very low | 43 | Very low | 99 Ų | 99 | 85.4 Ų | 85.4 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | 175.9 | -103.6 | -81 | 0 | 0 | 0 | 113.5 | V1208 E1210 N1216 | V1208-F1212 HydrophobicContact CG1-CD2 4.09Å; V1208-F1212 HydrophobicContact CG1-CE2 4.44Å; V1208-F1212 WeakPolarHBondContact O-CB 3.26Å; V1208-F1212 WeakPolarHBondContact O-CD2 3.38Å; V1208-F1212 PolarHBondContact O-N 3.32Å; E1210-F1212 PolarHBondContact O-N 3.4Å; F1212-N1216 VanDerWaalsContact O-CB 3.27Å; F1212-N1216 WeakPolarHBondContact O-CB 3.3Å; F1212-N1216 PolarHBondContact O-N 3.4Å; F1212-N1216 PolarHBondContact O-ND2 3.45Å |
| 1213 | A | 48.7 | Very low | 44 | Very low | 59 Ų | 59 | 81.2 Ų | 81.2 | 49% | 0.488 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.9 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1209 E1210 C1211 N1216 A1217 | R1209-A1213 VanDerWaalsContact O-CB 3.3Å; R1209-A1213 WeakPolarHBondContact O-CB 3.47Å; R1209-A1213 PolarHBondContact O-N 2.94Å; E1210-A1213 PolarHBondContact O-N 2.74Å; E1210-A1213 VanDerWaalsContact O-N 3.16Å; C1211-A1213 VanDerWaalsContact C-N 3.33Å; C1211-A1213 PolarHBondContact O-N 3.26Å; A1213-N1216 PolarHBondContact O-N 3.21Å; A1213-A1217 WeakPolarHBondContact O-CB 3.27Å; A1213-A1217 PolarHBondContact O-N 2.95Å |
| 1214 | V | 43.4 | Very low | 44.8 | Very low | 68 Ų | 68 | 79.2 Ų | 79.2 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 174 | 170 | 0 | 0 | 0 | 0 | 110 | V1014 E1210 C1211 N1216 A1217 L1218 | V1014-V1214 WeakPolarHBondContact O-CG1 3.48Å; E1210-V1214 WeakPolarHBondContact O-CB 3.38Å; E1210-V1214 WeakPolarHBondContact O-CG2 3.42Å; E1210-V1214 PolarHBondContact O-N 3.15Å; C1211-V1214 PolarHBondContact O-N 3.45Å; V1214-N1216 VanDerWaalsContact C-N 3.31Å; V1214-N1216 PolarHBondContact O-N 2.95Å; V1214-A1217 PolarHBondContact O-N 3.22Å; V1214-L1218 HydrophobicContact CG1-CD1 3.55Å; V1214-L1218 WeakPolarHBondContact O-CB 3.36Å; V1214-L1218 WeakPolarHBondContact O-CD1 3.48Å; V1214-L1218 PolarHBondContact O-N 3.27Å |
| 1215 | V | 41.5 | Very low | 45.3 | Very low | 20 Ų | 20 | 76 Ų | 76 | 12% | 0.121 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 178.9 | 164.3 | 0 | 0 | 0 | 0 | 112.4 | C1211 K1219 | C1211-V1215 WeakPolarHBondContact O-CB 3.19Å; C1211-V1215 VanDerWaalsContact O-CG2 3.26Å; C1211-V1215 WeakPolarHBondContact O-CG2 3.41Å; C1211-V1215 PolarHBondContact O-N 3.48Å; V1215-K1219 VanDerWaalsContact CG1-CE 3.41Å; V1215-K1219 VanDerWaalsContact O-CG 3.31Å; V1215-K1219 WeakPolarHBondContact O-CG 3.17Å; V1215-K1219 PolarHBondContact O-N 3.32Å |
| 1216 | N | 53 | Low | 45.9 | Very low | 75 Ų | 75 | 70.8 Ų | 70.8 | 40% | 0.401 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -77.6 | -37.8 | 175.6 | -72.3 | -24.1 | 0 | 0 | 0 | 113.4 | F1212 A1213 V1214 L1218 K1219 E1220 | F1212-N1216 VanDerWaalsContact O-CB 3.27Å; F1212-N1216 WeakPolarHBondContact O-CB 3.3Å; F1212-N1216 PolarHBondContact O-N 3.4Å; F1212-N1216 PolarHBondContact O-ND2 3.45Å; A1213-N1216 PolarHBondContact O-N 3.21Å; V1214-N1216 VanDerWaalsContact C-N 3.31Å; V1214-N1216 PolarHBondContact O-N 2.95Å; N1216-L1218 VanDerWaalsContact C-N 3.25Å; N1216-L1218 PolarHBondContact O-N 3.07Å; N1216-K1219 WeakPolarHBondContact O-CB 3.41Å; N1216-K1219 PolarHBondContact O-N 3.14Å; N1216-K1219 VanDerWaalsContact O-N 3.09Å; N1216-K1219 WeakPolarHBondContact OD1-CD 3.37Å; N1216-K1219 PolarHBondContact OD1-NZ 2.86Å; N1216-E1220 PolarHBondContact O-N 2.67Å |
| 1217 | A | 50.8 | Low | 46.5 | Very low | 53 Ų | 53 | 69.7 Ų | 69.7 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1213 V1214 K1221 | A1213-A1217 WeakPolarHBondContact O-CB 3.27Å; A1213-A1217 PolarHBondContact O-N 2.95Å; V1214-A1217 PolarHBondContact O-N 3.22Å; A1217-K1221 PolarHBondContact O-N 3.38Å |
| 1218 | L | 43.9 | Very low | 47.1 | Very low | 17 Ų | 17 | 72.2 Ų | 72.2 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.2 | -26.8 | 169.7 | -89.2 | 133.3 | 0 | 0 | 0 | 113.4 | L1013 V1014 V1214 N1216 V1222 | L1013-L1218 HydrophobicContact CD2-CD2 4.2Å; L1013-L1218 HydrophobicContact CG-CD2 3.96Å; V1014-L1218 HydrophobicContact CB-CD1 4.44Å; V1014-L1218 HydrophobicContact CG1-CD1 4.48Å; V1014-L1218 HydrophobicContact CG2-CD2 4.36Å; V1014-L1218 WeakPolarHBondContact O-CD1 3.39Å; V1214-L1218 HydrophobicContact CG1-CD1 3.55Å; V1214-L1218 WeakPolarHBondContact O-CB 3.36Å; V1214-L1218 WeakPolarHBondContact O-CD1 3.48Å; V1214-L1218 PolarHBondContact O-N 3.27Å; N1216-L1218 VanDerWaalsContact C-N 3.25Å; N1216-L1218 PolarHBondContact O-N 3.07Å; L1218-V1222 HydrophobicContact CD2-CG2 4.44Å; L1218-V1222 WeakPolarHBondContact O-CB 3.48Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.3Å; L1218-V1222 PolarHBondContact O-N 2.68Å |
| 1219 | K | 51.7 | Low | 47.5 | Very low | 42 Ų | 42 | 69.2 Ų | 69.2 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 169 | -76 | 163.7 | -156.4 | 167.9 | 0 | 111.2 | E1058 V1215 N1216 C1223 | E1058-K1219 IonicContact OE1-NZ 3.38Å; E1058-K1219 PolarHBondContact OE1-NZ 3.38Å; V1215-K1219 VanDerWaalsContact CG1-CE 3.41Å; V1215-K1219 VanDerWaalsContact O-CG 3.31Å; V1215-K1219 WeakPolarHBondContact O-CG 3.17Å; V1215-K1219 PolarHBondContact O-N 3.32Å; N1216-K1219 WeakPolarHBondContact O-CB 3.41Å; N1216-K1219 PolarHBondContact O-N 3.14Å; N1216-K1219 VanDerWaalsContact O-N 3.09Å; N1216-K1219 WeakPolarHBondContact OD1-CD 3.37Å; N1216-K1219 PolarHBondContact OD1-NZ 2.86Å; K1219-C1223 WeakPolarHBondContact O-CB 3.44Å; K1219-C1223 PolarHBondContact O-N 3.16Å; K1219-C1223 PolarHBondContact O-SG 2.9Å |
| 1220 | E | 55.7 | Low | 47.4 | Very low | 147 Ų | 147 | 63.1 Ų | 63.1 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.5 | -55.9 | 172 | -70 | -173.8 | 143.3 | 0 | 0 | 110.9 | N1216 V1222 C1223 D1224 | N1216-E1220 PolarHBondContact O-N 2.67Å; E1220-V1222 VanDerWaalsContact C-N 3.32Å; E1220-V1222 PolarHBondContact O-N 3.12Å; E1220-C1223 PolarHBondContact O-N 3.23Å; E1220-D1224 PolarHBondContact O-N 2.93Å |
| 1221 | K | 49.8 | Very low | 47.3 | Very low | 81 Ų | 81 | 67 Ų | 67 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.4 | -42 | 178.7 | -73.7 | -175.7 | 174.1 | -178.4 | 0 | 112.6 | D1019 S1022 A1217 L1225 | D1019-K1221 IonicContact OD1-NZ 3.61Å; D1019-K1221 PolarHBondContact OD1-NZ 2.94Å; S1022-K1221 PolarHBondContact OG-NZ 3.48Å; A1217-K1221 PolarHBondContact O-N 3.38Å; K1221-L1225 VanDerWaalsContact O-CB 3.24Å; K1221-L1225 WeakPolarHBondContact O-CB 3.48Å; K1221-L1225 WeakPolarHBondContact O-CD1 3.37Å; K1221-L1225 WeakPolarHBondContact O-CG 3.26Å; K1221-L1225 PolarHBondContact O-N 3.37Å |
| 1222 | V | 52.1 | Low | 47.1 | Very low | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73 | -37.4 | 179.9 | 170.1 | 0 | 0 | 0 | 0 | 112.4 | L1013 W1049 L1218 E1220 D1224 L1225 L1226 | L1013-V1222 HydrophobicContact CD2-CG2 4.08Å; W1049-V1222 HydrophobicContact CH2-CG2 4.18Å; L1218-V1222 HydrophobicContact CD2-CG2 4.44Å; L1218-V1222 WeakPolarHBondContact O-CB 3.48Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.3Å; L1218-V1222 PolarHBondContact O-N 2.68Å; E1220-V1222 VanDerWaalsContact C-N 3.32Å; E1220-V1222 PolarHBondContact O-N 3.12Å; V1222-D1224 VanDerWaalsContact C-N 3.32Å; V1222-L1225 PolarHBondContact O-N 2.93Å; V1222-L1226 HydrophobicContact CG1-CD1 4.07Å; V1222-L1226 PolarHBondContact O-N 3.12Å |
| 1223 | C | 51.6 | Low | 46.3 | Very low | 52 Ų | 52 | 65.5 Ų | 65.5 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.7 | -32.6 | 174.7 | -77.7 | 0 | 0 | 0 | 0 | 112.9 | K1219 E1220 S1230 | K1219-C1223 WeakPolarHBondContact O-CB 3.44Å; K1219-C1223 PolarHBondContact O-N 3.16Å; K1219-C1223 PolarHBondContact O-SG 2.9Å; E1220-C1223 PolarHBondContact O-N 3.23Å; C1223-S1230 WeakPolarHBondContact O-CB 3.08Å; C1223-S1230 PolarHBondContact O-OG 2.89Å |
| 1224 | D | 51.4 | Low | 45.3 | Very low | 137 Ų | 137 | 67.9 Ų | 67.9 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.9 | -34.7 | 171.9 | -76.5 | -17.8 | 0 | 0 | 0 | 112.3 | E1220 V1222 | E1220-D1224 PolarHBondContact O-N 2.93Å; V1222-D1224 VanDerWaalsContact C-N 3.32Å |
| 1225 | L | 46.4 | Very low | 44.6 | Very low | 36 Ų | 36 | 72.7 Ų | 72.7 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -84.2 | -29.9 | -174.1 | -74.7 | 166 | 0 | 0 | 0 | 115.1 | A1026 N1030 K1221 V1222 | A1026-L1225 HydrophobicContact CB-CD1 3.31Å; A1026-L1225 HydrophobicContact CB-CD2 3.7Å; A1026-L1225 HydrophobicContact CB-CG 4.14Å; N1030-L1225 PolarHBondContact ND2-O 2.87Å; K1221-L1225 VanDerWaalsContact O-CB 3.24Å; K1221-L1225 WeakPolarHBondContact O-CB 3.48Å; K1221-L1225 WeakPolarHBondContact O-CD1 3.37Å; K1221-L1225 WeakPolarHBondContact O-CG 3.26Å; K1221-L1225 PolarHBondContact O-N 3.37Å; V1222-L1225 PolarHBondContact O-N 2.93Å |
| 1226 | L | 51.7 | Low | 43.9 | Very low | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | trans | -123 | 85.1 | 176.9 | -65 | 102.1 | 0 | 0 | 0 | 110 | V1029 E1033 V1222 E1228 I1229 S1230 | V1029-L1226 HydrophobicContact CG1-CD1 4.03Å; E1033-L1226 HydrophobicContact CB-CD2 4.2Å; E1033-L1226 HydrophobicContact CG-CD2 4.01Å; E1033-L1226 WeakPolarHBondContact OE1-CA 3.38Å; E1033-L1226 WeakPolarHBondContact OE1-CB 3.24Å; E1033-L1226 WeakPolarHBondContact OE1-CD2 3.46Å; E1033-L1226 WeakPolarHBondContact OE1-CG 3.4Å; V1222-L1226 HydrophobicContact CG1-CD1 4.07Å; V1222-L1226 PolarHBondContact O-N 3.12Å; L1226-E1228 PolarHBondContact O-N 2.91Å; L1226-E1228 VanDerWaalsContact O-N 3.11Å; L1226-I1229 HydrophobicContact CB-CB 3.98Å; L1226-I1229 HydrophobicContact CB-CD1 3.86Å; L1226-I1229 HydrophobicContact CB-CG1 3.97Å; L1226-I1229 HydrophobicContact CD1-CD1 4.46Å; L1226-I1229 HydrophobicContact CD2-CD1 3.83Å; L1226-I1229 HydrophobicContact CG-CD1 4.26Å; L1226-I1229 WeakPolarHBondContact O-CB 3.49Å; L1226-I1229 PolarHBondContact O-N 2.71Å; L1226-S1230 PolarHBondContact O-N 3.45Å | ||
| 1227 | P | 51.5 | Low | 42.6 | Very low | 65 Ų | 65 | 80.4 Ų | 80.4 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.9 | -29.1 | -178.9 | -28.9 | 37.2 | 0 | 0 | 0 | 114.3 | I1229 S1230 Y1231 | P1227-I1229 VanDerWaalsContact C-N 3.25Å; P1227-I1229 PolarHBondContact O-N 2.92Å; P1227-S1230 WeakPolarHBondContact CA-OG 2.94Å; P1227-S1230 CarbonylContact O-C 3.48Å; P1227-S1230 PolarHBondContact O-N 3.22Å; P1227-S1230 PolarHBondContact O-OG 3.41Å; P1227-Y1231 WeakPolarHBondContact O-CB 3.43Å; P1227-Y1231 VanDerWaalsContact O-CD2 3.32Å; P1227-Y1231 WeakPolarHBondContact O-CD2 3.25Å; P1227-Y1231 PolarHBondContact O-N 3.49Å |
| 1228 | E | 47.5 | Very low | 41.4 | Very low | 108 Ų | 108 | 89.1 Ų | 89.1 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.3 | -11 | 178.6 | -58.2 | -160.4 | 179.6 | 0 | 0 | 113.7 | L1226 | L1226-E1228 PolarHBondContact O-N 2.91Å; L1226-E1228 VanDerWaalsContact O-N 3.11Å |
| 1229 | I | 45.3 | Very low | 40.6 | Very low | 16 Ų | 16 | 91.4 Ų | 91.4 | 8% | 0.082 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -84.8 | -42.6 | 166.7 | -72.2 | -175.4 | 0 | 0 | 0 | 109.2 | W1065 L1226 P1227 Y1231 | W1065-I1229 HydrophobicContact CH2-CB 4.12Å; W1065-I1229 HydrophobicContact CH2-CG2 3.3Å; W1065-I1229 WeakPolarHBondContact CH2-O 3.48Å; W1065-I1229 HydrophobicContact CZ2-CG2 3.76Å; W1065-I1229 HydrophobicContact CZ3-CG2 4.07Å; L1226-I1229 HydrophobicContact CB-CB 3.98Å; L1226-I1229 HydrophobicContact CB-CD1 3.86Å; L1226-I1229 HydrophobicContact CB-CG1 3.97Å; L1226-I1229 HydrophobicContact CD1-CD1 4.46Å; L1226-I1229 HydrophobicContact CD2-CD1 3.83Å; L1226-I1229 HydrophobicContact CG-CD1 4.26Å; L1226-I1229 WeakPolarHBondContact O-CB 3.49Å; L1226-I1229 PolarHBondContact O-N 2.71Å; P1227-I1229 VanDerWaalsContact C-N 3.25Å; P1227-I1229 PolarHBondContact O-N 2.92Å; I1229-Y1231 VanDerWaalsContact C-N 3.31Å; I1229-Y1231 PolarHBondContact O-N 3.02Å |
| 1230 | S | 39.9 | Very low | 39.3 | Very low | 50 Ų | 50 | 97.5 Ų | 97.5 | 35% | 0.35 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -78.6 | -5.5 | 176.6 | 48.7 | 0 | 0 | 0 | 0 | 115 | C1223 L1226 P1227 A1232 | C1223-S1230 WeakPolarHBondContact O-CB 3.08Å; C1223-S1230 PolarHBondContact O-OG 2.89Å; L1226-S1230 PolarHBondContact O-N 3.45Å; P1227-S1230 WeakPolarHBondContact CA-OG 2.94Å; P1227-S1230 CarbonylContact O-C 3.48Å; P1227-S1230 PolarHBondContact O-N 3.22Å; P1227-S1230 PolarHBondContact O-OG 3.41Å; S1230-A1232 PolarHBondContact O-N 3.01Å |
| 1231 | Y | 37.1 | Very low | 38.1 | Very low | 196 Ų | 196 | 97.1 Ų | 97.1 | 77% | 0.769 | 55% | 0.549 | S | S | * | . | trans | -70.2 | 47.4 | 173.2 | -111.8 | -69.8 | 0 | 0 | 0 | 114.9 | P1227 I1229 | P1227-Y1231 WeakPolarHBondContact O-CB 3.43Å; P1227-Y1231 VanDerWaalsContact O-CD2 3.32Å; P1227-Y1231 WeakPolarHBondContact O-CD2 3.25Å; P1227-Y1231 PolarHBondContact O-N 3.49Å; I1229-Y1231 VanDerWaalsContact C-N 3.31Å; I1229-Y1231 PolarHBondContact O-N 3.02Å | ||
| 1232 | A | 33.2 | Very low | 37.1 | Very low | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 117.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | S1230 P1234 | S1230-A1232 PolarHBondContact O-N 3.01Å; A1232-P1234 WeakPolarHBondContact O-CD 3.36Å |
| 1233 | A | 26 | Very low | 36 | Very low | 92 Ų | 92 | 106.3 Ų | 106.3 | 76% | 0.76 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | D1235 | A1233-D1235 PolarHBondContact O-N 3.16Š|
| 1234 | P | 27.5 | Very low | 35 | Very low | 109 Ų | 109 | 110.3 Ų | 110.3 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.4 | 175.3 | 29.7 | -32.8 | 0 | 0 | 0 | 110.2 | A1232 V1236 | A1232-P1234 WeakPolarHBondContact O-CD 3.36Å; P1234-V1236 PolarHBondContact O-N 3.29Å |
| 1235 | D | 28.3 | Very low | 34.2 | Very low | 168 Ų | 168 | 108.2 Ų | 108.2 | 90% | 0.898 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 27.8 | 73.5 | 159.5 | -59.5 | -24.9 | 0 | 0 | 0 | 117.8 | A1233 | A1233-D1235 PolarHBondContact O-N 3.16Š|
| 1236 | V | 26.5 | Very low | 33.6 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 81% | 0.806 | 67% | 0.67 | S | S | * | * | trans | -128.2 | 121.4 | 158.6 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | P1234 | P1234-V1236 PolarHBondContact O-N 3.29Š| ||
| 1237 | T | 26.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | trans | -46.5 | 138.7 | 174.3 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | G1239 | T1237-G1239 PolarHBondContact O-N 3.06Š| ||
| 1238 | Y | 24.7 | Very low | 31.6 | Very low | 235 Ų | 235 | 125.4 Ų | 125.4 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | trans | -59.8 | 108.7 | 158.5 | -95.6 | -94.7 | 0 | 0 | 0 | 109.7 | L1240 | Y1238-L1240 PolarHBondContact O-N 3.5Š| ||
| 1239 | G | 27.3 | Very low | 30.7 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | -77.5 | 102.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1237 T1241 | T1237-G1239 PolarHBondContact O-N 3.06Å; G1239-T1241 PolarHBondContact O-N 3.25Å | ||
| 1240 | L | 26.1 | Very low | 30 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -63.7 | 107.2 | 159 | -72 | 166.4 | 0 | 0 | 0 | 108.9 | Y1238 | Y1238-L1240 PolarHBondContact O-N 3.5Š| ||
| 1241 | T | 28.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -79 | 124.1 | 167.5 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | G1239 | G1239-T1241 PolarHBondContact O-N 3.25Š| ||
| 1242 | K | 28.7 | Very low | 29 | Very low | 191 Ų | 191 | 130.8 Ų | 130.8 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -70 | 148.5 | 168.2 | -71.1 | -176.4 | 176.4 | -178.1 | 0 | 109.9 | D1244 | K1242-D1244 PolarHBondContact O-N 3.23Š| ||
| 1243 | G | 30 | Very low | 28.9 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -84.5 | 93.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1244 | D | 30.2 | Very low | 29.1 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -150.6 | 135.1 | 144.5 | 58.2 | -18.5 | 0 | 0 | 0 | 110.7 | K1242 S1246 | K1242-D1244 PolarHBondContact O-N 3.23Å; D1244-S1246 PolarHBondContact O-N 2.57Å | ||
| 1245 | G | 35.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 97.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1246 | S | 33.2 | Very low | 29.4 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -152.1 | 148.2 | 162.2 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | D1244 | D1244-S1246 PolarHBondContact O-N 2.57Š| ||
| 1247 | Q | 29.5 | Very low | 29.6 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -92.4 | 145.8 | -178 | -72.3 | -174.3 | -11.4 | 0 | 0 | 112.9 | ||||
| 1248 | L | 31.6 | Very low | 29.9 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 121.5 | 149.2 | -89.8 | 174.6 | 0 | 0 | 0 | 110.7 | ||||
| 1249 | V | 29.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -108.8 | 133.5 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1250 | P | 29.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -112 | 152 | 139.3 | -11.3 | 30.3 | 0 | 0 | 0 | 112.6 | ||||
| 1251 | S | 27.7 | Very low | 30.6 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -102.4 | 119.6 | -168.6 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1252 | E | 28.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 62% | 0.621 | 79% | 0.787 | S | S | * | * | trans | -151.5 | -10.8 | 152.1 | -128.5 | -167.9 | 147.5 | 0 | 0 | 117.5 | A1254 R1255 | E1252-A1254 PolarHBondContact O-N 3.01Å; E1252-R1255 PolarHBondContact O-N 3.37Å; E1252-R1255 IonicContact OE1-CZ 3.98Å; E1252-R1255 IonicContact OE1-NE 2.81Å; E1252-R1255 IonicContact OE1-NH2 2.77Å; E1252-R1255 PolarHBondContact OE1-NH2 3.49Å | ||
| 1253 | V | 32.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -65 | -17.8 | -175.6 | -176.7 | 0 | 0 | 0 | 0 | 113.8 | R1255 | V1253-R1255 PolarHBondContact O-N 3.13Å; V1253-R1255 VanDerWaalsContact O-N 3.16Å |
| 1254 | A | 29.8 | Very low | 30.4 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -60.9 | -22.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1252 | E1252-A1254 PolarHBondContact O-N 3.01Š|
| 1255 | R | 29.8 | Very low | 30.2 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -86 | -17.2 | -170.6 | -158.8 | 161.4 | 64.5 | 144.7 | -6.3 | 115.2 | E1252 V1253 | E1252-R1255 PolarHBondContact O-N 3.37Å; E1252-R1255 IonicContact OE1-CZ 3.98Å; E1252-R1255 IonicContact OE1-NE 2.81Å; E1252-R1255 IonicContact OE1-NH2 2.77Å; E1252-R1255 PolarHBondContact OE1-NH2 3.49Å; V1253-R1255 PolarHBondContact O-N 3.13Å; V1253-R1255 VanDerWaalsContact O-N 3.16Å |
| 1256 | M | 32 | Very low | 29.7 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -28.7 | -175.4 | -65.7 | -167 | -163.2 | 0 | 0 | 114.8 | Q1258 | M1256-Q1258 PolarHBondContact O-N 3.49Š|
| 1257 | R | 32 | Very low | 29.4 | Very low | 237 Ų | 237 | 149.7 Ų | 149.7 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -15.5 | 178.5 | -83.7 | -176 | 170.4 | 171.3 | -2.3 | 113.9 | ||
| 1258 | Q | 32.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -22 | -177.7 | -155.2 | 165.6 | 7.8 | 0 | 0 | 113.7 | M1256 | M1256-Q1258 PolarHBondContact O-N 3.49Š|
| 1259 | N | 30.4 | Very low | 28.9 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 56% | 0.561 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -79.9 | -22 | -178.7 | -83.6 | -13.5 | 0 | 0 | 0 | 114.6 | K1261 R1262 | N1259-K1261 PolarHBondContact O-N 2.85Å; N1259-K1261 VanDerWaalsContact O-N 3.14Å; N1259-R1262 PolarHBondContact O-N 3.5Å |
| 1260 | R | 32.2 | Very low | 28.6 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -66 | -11.5 | 173.4 | -88.5 | -171.5 | 174.5 | -176 | -1.7 | 113.8 | ||
| 1261 | K | 30.6 | Very low | 28.5 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -90.1 | 9.3 | 169.8 | -75.5 | -164.5 | 172.6 | -170.3 | 0 | 114.6 | N1259 | N1259-K1261 PolarHBondContact O-N 2.85Å; N1259-K1261 VanDerWaalsContact O-N 3.14Å |
| 1262 | R | 27.6 | Very low | 28.4 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -112.5 | 1 | -179.5 | -114.3 | 178.3 | 176.5 | 175.4 | -2.4 | 116.3 | N1259 | N1259-R1262 PolarHBondContact O-N 3.5Š|
| 1263 | C | 28 | Very low | 28.4 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -98.2 | 3 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 114.2 | A1265 | C1263-A1265 VanDerWaalsContact C-N 3.26Å; C1263-A1265 PolarHBondContact O-N 2.9Å |
| 1264 | A | 27.4 | Very low | 28.1 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.6 | 29.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1265 | A | 26.5 | Very low | 28 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -143.3 | 26.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1263 | C1263-A1265 VanDerWaalsContact C-N 3.26Å; C1263-A1265 PolarHBondContact O-N 2.9Å |
| 1266 | L | 25.3 | Very low | 27.9 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -140 | 31.9 | -174.4 | -89.6 | 174 | 0 | 0 | 0 | 113.1 | ||
| 1267 | L | 26.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -139.7 | 17 | 177.3 | -107 | 172.8 | 0 | 0 | 0 | 113.9 | ||
| 1268 | D | 25.3 | Very low | 27.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -141.9 | 44.1 | -171.2 | -154.5 | 11.8 | 0 | 0 | 0 | 113 | ||
| 1269 | V | 24.5 | Very low | 27.4 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -144.4 | 76.9 | 168 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1270 | A | 24.2 | Very low | 27.3 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -150.5 | 33.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1271 | N | 26 | Very low | 27.1 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 52% | 0.524 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -155 | 131.1 | 160.6 | -99.9 | -45.6 | 0 | 0 | 0 | 112.6 | E651 | E651-N1271 PolarHBondContact OE1-ND2 3.4Š|
| 1272 | S | 27.1 | Very low | 27.1 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 61.1 | 145.8 | -176.8 | 75 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1273 | S | 26.9 | Very low | 27.2 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -163 | 143 | -20.4 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1274 | V | 26.6 | Very low | 27.3 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 53 | 104.5 | 146.6 | -177.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1275 | A | 27.2 | Very low | 27.1 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 58.2 | 162.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1276 | A | 28.1 | Very low | 27.5 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | cis | -157.8 | 143.8 | 5.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1277 | R | 28.4 | Very low | 27.6 | Very low | 230 Ų | 230 | 126.5 Ų | 126.5 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 54.4 | 124.2 | 145 | -56.9 | 172.3 | -173.8 | -174.6 | 3.2 | 121.6 | ||||
| 1278 | L | 29.2 | Very low | 27.7 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | 161.3 | 137.7 | 111.2 | -84.8 | 169.7 | 0 | 0 | 0 | 109 | |||||
| 1279 | G | 27.1 | Very low | 27.9 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | 179.7 | 156.3 | -7.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1280 | G | 29 | Very low | 28 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | 178.8 | 136.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1281 | N | 28.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -86.8 | 173.2 | -176.4 | -54.3 | -18.9 | 0 | 0 | 0 | 109.7 | ||||
| 1282 | D | 30.5 | Very low | 28 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | cis | -161.6 | 162.4 | 34.2 | -130 | -41.9 | 0 | 0 | 0 | 117 | ||||
| 1283 | T | 29 | Very low | 28 | Very low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 63.1 | 128.9 | 158.3 | 60.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1284 | S | 30 | Very low | 27.9 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | 91.9 | 147.7 | 141.4 | 81.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1285 | S | 24.1 | Very low | 27.8 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -161.3 | 175.8 | -174.8 | -145.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1286 | P | 35.7 | Very low | 27.7 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -124.7 | 177.8 | -17.9 | 40.4 | -27.5 | 0 | 0 | 0 | 111.9 | ||||
| 1287 | M | 27.5 | Very low | 27.6 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -163.7 | 156.8 | 136.1 | -113 | -169.6 | 91 | 0 | 0 | 115.1 | ||||
| 1288 | T | 26.5 | Very low | 27.5 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | trans | -82.7 | 153 | -172.6 | 45.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1289 | K | 29.4 | Very low | 27.2 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -149.1 | 117.7 | 136.1 | -115.7 | 167.4 | -172.5 | 171.5 | 0 | 111.8 | ||||
| 1290 | R | 28 | Very low | 27.3 | Very low | 229 Ų | 229 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 152.9 | 168.2 | -73.8 | 175.3 | 170 | 165.5 | -4.2 | 110 | ||||
| 1291 | K | 26 | Very low | 27.3 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 96% | 0.957 | 80% | 0.797 | S | S | * | * | trans | -127.2 | 124 | 131.9 | -89.9 | -171.5 | 174.2 | -179.2 | 0 | 108.8 | ||||
| 1292 | K | 24.2 | Very low | 27 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -163.1 | 133.1 | 173 | -173.7 | 176.1 | -172.9 | 175.1 | 0 | 107.2 | ||||
| 1293 | L | 26.2 | Very low | 26.8 | Very low | 166 Ų | 166 | 157 Ų | 157 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 147.3 | 153.4 | 168 | -85 | 159.9 | 0 | 0 | 0 | 107.8 | ||||
| 1294 | G | 25.7 | Very low | 26.5 | Very low | 69 Ų | 69 | 160.5 Ų | 160.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -120.5 | 164.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1295 | L | 22.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 163.6 Ų | 163.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -93.9 | 158.9 | 162.9 | -73.2 | 74.6 | 0 | 0 | 0 | 109.1 | ||||
| 1296 | V | 26.5 | Very low | 26.3 | Very low | 141 Ų | 141 | 166 Ų | 166 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -130.7 | 135.5 | 142.3 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1297 | D | 24.7 | Very low | 25.8 | Very low | 84 Ų | 84 | 163.7 Ų | 163.7 | 45% | 0.449 | 79% | 0.792 | S | S | . | * | trans | -103.5 | 130.1 | 177.1 | 175.9 | -6.8 | 0 | 0 | 0 | 109 | R1299 | D1297-R1299 PolarHBondContact OD1-N 3.33Å; D1297-R1299 IonicContact OD1-NE 3.18Å; D1297-R1299 PolarHBondContact OD1-NE 3.39Å; D1297-R1299 IonicContact OD2-CZ 3.25Å; D1297-R1299 VanDerWaalsContact OD2-CZ 3.25Å; D1297-R1299 IonicContact OD2-NE 3.01Å; D1297-R1299 PolarHBondContact OD2-NE 3.18Å; D1297-R1299 IonicContact OD2-NH2 2.68Å; D1297-R1299 PolarHBondContact OD2-NH2 2.89Å | ||
| 1298 | L | 27.1 | Very low | 25.7 | Very low | 168 Ų | 168 | 163.5 Ų | 163.5 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -138.3 | 76.1 | 161.4 | -79.9 | -176.3 | 0 | 0 | 0 | 111.3 | H1300 | L1298-H1300 PolarHBondContact O-N 3.36Š| ||
| 1299 | R | 23.1 | Very low | 25.5 | Very low | 189 Ų | 189 | 164.9 Ų | 164.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -54.6 | 131.2 | 151.7 | -73 | 170.6 | -100 | -167.4 | -7.3 | 110.2 | D1297 | D1297-R1299 PolarHBondContact OD1-N 3.33Å; D1297-R1299 IonicContact OD1-NE 3.18Å; D1297-R1299 PolarHBondContact OD1-NE 3.39Å; D1297-R1299 IonicContact OD2-CZ 3.25Å; D1297-R1299 VanDerWaalsContact OD2-CZ 3.25Å; D1297-R1299 IonicContact OD2-NE 3.01Å; D1297-R1299 PolarHBondContact OD2-NE 3.18Å; D1297-R1299 IonicContact OD2-NH2 2.68Å; D1297-R1299 PolarHBondContact OD2-NH2 2.89Å | ||
| 1300 | H | 29.2 | Very low | 25.3 | Very low | 176 Ų | 176 | 159.8 Ų | 159.8 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | 172.6 | 100.8 | 126.2 | -93.5 | 92.4 | 0 | 0 | 0 | 111.6 | L1298 | L1298-H1300 PolarHBondContact O-N 3.36Š| |||
| 1301 | H | 27.9 | Very low | 25.2 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | -144.6 | 133.5 | 121 | -135.3 | -77.9 | 0 | 0 | 0 | 110.5 | |||||
| 1302 | R | 23.6 | Very low | 25.3 | Very low | 210 Ų | 210 | 152.9 Ų | 152.9 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -108 | 168.4 | 176.4 | -139.4 | 179.6 | -176.7 | 172.7 | -1.6 | 108 | ||||
| 1303 | N | 25 | Very low | 25.3 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 67.2 | 86.6 | 163.5 | -52.5 | 1 | 0 | 0 | 0 | 116.5 | ||||
| 1304 | F | 24 | Very low | 25.4 | Very low | 187 Ų | 187 | 153 Ų | 153 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -131.8 | 75.2 | 138.2 | -159 | -94.3 | 0 | 0 | 0 | 109.9 | ||
| 1305 | W | 26.3 | Very low | 25.2 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | 57.8 | 81.5 | 158.9 | -50.6 | 108.9 | 0 | 0 | 0 | 117.6 | A1307 | W1305-A1307 HydrophobicContact CB-CB 4.19Å; W1305-A1307 HydrophobicContact CD2-CB 4.26Å; W1305-A1307 HydrophobicContact CE3-CB 3.51Å; W1305-A1307 HydrophobicContact CZ3-CB 4.21Å; W1305-A1307 PolarHBondContact O-N 3.01Å | ||
| 1306 | D | 23.3 | Very low | 25.4 | Very low | 164 Ų | 164 | 163.3 Ų | 163.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -35.9 | 86.5 | 96.3 | -81.8 | -41.7 | 0 | 0 | 0 | 115.2 | |||||
| 1307 | A | 24.9 | Very low | 25.5 | Very low | 64 Ų | 64 | 164.4 Ų | 164.4 | 53% | 0.529 | 78% | 0.775 | S | S | . | * | trans | -160.6 | 51.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114 | W1305 | W1305-A1307 HydrophobicContact CB-CB 4.19Å; W1305-A1307 HydrophobicContact CD2-CB 4.26Å; W1305-A1307 HydrophobicContact CE3-CB 3.51Å; W1305-A1307 HydrophobicContact CZ3-CB 4.21Å; W1305-A1307 PolarHBondContact O-N 3.01Å | ||
| 1308 | L | 25.4 | Very low | 25.3 | Very low | 178 Ų | 178 | 171.2 Ų | 171.2 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -156.3 | 49.9 | 159.5 | -116.6 | 163.8 | 0 | 0 | 0 | 113.7 | ||||
| 1309 | L | 23 | Very low | 25.4 | Very low | 141 Ų | 141 | 169.1 Ų | 169.1 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -88.1 | 132.1 | 167.3 | -94.7 | 169.8 | 0 | 0 | 0 | 111.7 | ||||
| 1310 | T | 24.4 | Very low | 25.5 | Very low | 110 Ų | 110 | 164.1 Ų | 164.1 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 51.8 | 118.8 | 151.7 | 53 | 0 | 0 | 0 | 0 | 121 | ||||
| 1311 | F | 26.7 | Very low | 25.3 | Very low | 204 Ų | 204 | 160.9 Ų | 160.9 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | -176.4 | 140.5 | 125.5 | -93.4 | -59.1 | 0 | 0 | 0 | 107.5 | |||||
| 1312 | S | 27.6 | Very low | 25.4 | Very low | 101 Ų | 101 | 159.3 Ų | 159.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -148 | 152.9 | 2.9 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1313 | R | 23.6 | Very low | 25.6 | Very low | 219 Ų | 219 | 154.2 Ų | 154.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 163.4 | 152.7 | -78.2 | 179.2 | 169.1 | 163.2 | -4.8 | 109.5 | ||||
| 1314 | P | 28.3 | Very low | 25.7 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -121.7 | 171.6 | 126.6 | 34.9 | -30.6 | 0 | 0 | 0 | 113.6 | |||||
| 1315 | R | 22.6 | Very low | 26.3 | Very low | 215 Ų | 215 | 149 Ų | 149 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 176 | -175.7 | -88.8 | 176 | 157.3 | 175.8 | -6.4 | 110 | ||||
| 1316 | R | 26.9 | Very low | 26.3 | Very low | 222 Ų | 222 | 144.4 Ų | 144.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 95.6 | 146.4 | 163.9 | -52.1 | 175.6 | -176.9 | -159.3 | 3.7 | 113.5 | ||||
| 1317 | H | 27.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | cis | -133.8 | 158 | 9.6 | -112.7 | -75.9 | 0 | 0 | 0 | 113.1 | ||||
| 1318 | R | 21.5 | Very low | 26.7 | Very low | 227 Ų | 227 | 146.3 Ų | 146.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -82.9 | 161 | 156.1 | -108.2 | -176.2 | -178.6 | -174.3 | 0.7 | 108.4 | ||||
| 1319 | P | 29.1 | Very low | 26.8 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | cis | -150.6 | 167.5 | 49.7 | 42.3 | -21.8 | 0 | 0 | 0 | 120.5 | ||||
| 1320 | A | 25.4 | Very low | 27.6 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -6.9 | 149.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1321 | S | 25 | Very low | 27.8 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 117.4 | 152.4 | 123.2 | 76.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1322 | L | 28.8 | Very low | 27.8 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 81.6 | 114.4 | 161.8 | -68 | 163.5 | 0 | 0 | 0 | 121 | ||||
| 1323 | A | 29.2 | Very low | 27.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | 80.9 | 140.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1324 | S | 25.5 | Very low | 28.2 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -112.4 | -169.4 | 168.1 | 61.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1325 | P | 36.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -133.4 | -163.3 | -10.6 | 34.3 | -11.9 | 0 | 0 | 0 | 113.8 | ||||
| 1326 | S | 27.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 101.9 | 143.4 | 60.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1327 | S | 26.1 | Very low | 28.8 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 78.1 | 155.3 | 111.9 | 78.8 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1328 | L | 29.5 | Very low | 28.9 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 78 | 142 | 162.1 | -66.1 | 168 | 0 | 0 | 0 | 120.7 | ||||
| 1329 | T | 28.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -119.2 | -179.2 | -175.8 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1330 | P | 39 | Very low | 29.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -130 | -150.3 | -44.5 | 33.3 | -14.2 | 0 | 0 | 0 | 112 | ||||
| 1331 | V | 28.4 | Very low | 30 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 107.6 | 90.6 | 156.8 | -168.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1332 | L | 27.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 51.2 | 114.8 | 129.7 | -57.7 | 176.7 | 0 | 0 | 0 | 124.6 | |||||
| 1333 | S | 29.1 | Very low | 30.9 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 81.6 | 162.7 | 130.9 | 83.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1334 | K | 29.9 | Very low | 31 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -165.2 | 134 | 15.5 | -146 | 160.4 | -171.1 | 169.6 | 0 | 113.3 | ||||
| 1335 | R | 29.7 | Very low | 31.1 | Very low | 220 Ų | 220 | 127.2 Ų | 127.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 62.7 | 163.2 | 152.5 | -72.9 | -179.3 | 178.1 | 175.1 | -2.5 | 117.9 | ||||
| 1336 | C | 30.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | cis | -164.2 | 177.4 | -9.4 | -110.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1337 | A | 31 | Very low | 30.7 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | cis | -168.1 | 169.1 | -13.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1338 | G | 30 | Very low | 30.7 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | cis | 147.4 | 78 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1339 | G | 29.5 | Very low | 30.5 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -153.5 | 156.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1340 | S | 35.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -152.5 | 140.5 | 7.9 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1341 | R | 32.7 | Very low | 29.8 | Very low | 243 Ų | 243 | 140.4 Ų | 140.4 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 15.2 | 151.6 | 156 | -70.3 | -179.6 | 173.3 | 176.3 | -2.2 | 121.2 | ||||
| 1342 | P | 39.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | -113.7 | -154.3 | 6.7 | 44 | -31.2 | 0 | 0 | 0 | 110.6 | ||||
| 1343 | S | 34 | Very low | 29.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | cis | -145.9 | 176.3 | 2.4 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1344 | S | 32.3 | Very low | 29.2 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -91 | 153.8 | -172 | 47.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1345 | S | 26.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -92.5 | 164.7 | 170.3 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1346 | R | 30.4 | Very low | 28.7 | Very low | 249 Ų | 249 | 140.5 Ų | 140.5 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | -159.2 | -176.5 | 147.1 | -120.3 | 175.5 | -175.3 | 179.9 | 1.4 | 112 | ||||
| 1347 | S | 27 | Very low | 28.4 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -146.5 | 150.2 | -141.2 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1348 | V | 26.3 | Very low | 28.3 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 83.3 | 138.8 | 141.9 | 164.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1349 | E | 25.4 | Very low | 28.2 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | 103.7 | 122 | 151.9 | -96.2 | -169.8 | 178.5 | 0 | 0 | 124.9 | ||||
| 1350 | K | 26.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 64% | 0.635 | 76% | 0.762 | S | S | * | * | trans | 75.9 | 114.4 | 137.2 | -81.6 | 165.9 | -167.9 | 152.9 | 0 | 123.7 | ||||
| 1351 | R | 24.7 | Very low | 28.2 | Very low | 218 Ų | 218 | 148 Ų | 148 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | 76.3 | 115.1 | 126.2 | -80.9 | -177.5 | 171.4 | 177.1 | -2.5 | 121.4 | |||||
| 1352 | V | 23 | Very low | 28.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 50.3 | 115.8 | 111.7 | 177.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1353 | R | 22.8 | Very low | 27.9 | Very low | 204 Ų | 204 | 140 Ų | 140 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | -176.9 | 168.8 | 67.5 | -140.9 | 158.5 | -169.3 | 175.8 | 3.3 | 113.2 | |||||
| 1354 | F | 25.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | trans | 66.9 | 111.4 | 153.8 | -69.4 | -52.1 | 0 | 0 | 0 | 122.7 | ||||
| 1355 | N | 24.3 | Very low | 27.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | 48.2 | 123.3 | 112.5 | -68.5 | 16.8 | 0 | 0 | 0 | 123.4 | |||||
| 1356 | L | 25.1 | Very low | 27.9 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | 71.1 | 129.9 | 129.5 | -82.1 | 156.3 | 0 | 0 | 0 | 122 | |||||
| 1357 | A | 25.7 | Very low | 27.9 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | trans | 69 | 154.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1358 | N | 28.5 | Very low | 28.1 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | cis | -162.1 | 172.1 | -15 | -109.7 | 31.4 | 0 | 0 | 0 | 105.4 | ||||
| 1359 | E | 27.5 | Very low | 28 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -174.8 | -152.1 | -10.1 | 174.9 | 167.8 | -148.5 | 0 | 0 | 104.3 | ||||
| 1360 | I | 32.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 74.5 | 125.3 | 153.9 | -57.7 | 174 | 0 | 0 | 0 | 115.4 | ||||
| 1361 | D | 32.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | -151 | 169.7 | -2.5 | -111.4 | -17.4 | 0 | 0 | 0 | 108.6 | ||||
| 1362 | G | 30.9 | Very low | 28.4 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | cis | 141.3 | 151.4 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1363 | E | 34.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | cis | -102.7 | -175 | 2.3 | -86.3 | -86.1 | 112.4 | 0 | 0 | 110.4 | ||||
| 1364 | R | 26.7 | Very low | 29 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | 71.3 | 167.5 | 24.9 | -64.7 | 153.4 | -178.1 | 164.6 | 6 | 112.8 | ||||
| 1365 | P | 36.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | cis | -122.7 | 161.5 | 14.3 | 42.7 | -29 | 0 | 0 | 0 | 117.5 | ||||
| 1366 | G | 30.4 | Very low | 29.1 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | 144.4 | 65.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1367 | R | 31.1 | Very low | 29.7 | Very low | 224 Ų | 224 | 132.7 Ų | 132.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | 43.4 | 123.7 | 92.5 | -71.3 | -169.2 | 171.9 | -173.9 | 0.8 | 113.7 | |||||
| 1368 | K | 30.5 | Very low | 29.9 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | cis | -158.6 | 147.1 | 0.1 | -98.6 | 178.7 | 177.2 | -174.1 | 0 | 108.7 | ||||
| 1369 | A | 24.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -139 | 108.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1370 | M | 27.3 | Very low | 30 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -166.2 | 149.4 | 175.7 | -119.6 | -179.2 | -179.9 | 0 | 0 | 111.3 | ||||
| 1371 | T | 26.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 56.7 | 111.6 | 159.2 | 56.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1372 | T | 29.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -47.8 | 170.8 | 143.4 | 39 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1373 | P | 30.9 | Very low | 29.9 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -147.2 | -162.7 | 28.6 | 29.3 | -0.8 | 0 | 0 | 0 | 116.8 | ||||
| 1374 | L | 27.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 104.4 | 121.9 | 147.4 | -66 | 171.6 | 0 | 0 | 0 | 122.5 | ||||
| 1375 | I | 29.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 144.5 | 140.5 | -66.5 | 165.7 | 0 | 0 | 0 | 119.3 | ||||
| 1376 | S | 23.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -142.6 | 174.9 | -170.1 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1377 | P | 37.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 134.1 | 136.4 | 35.3 | -24.6 | 0 | 0 | 0 | 111.9 | ||||
| 1378 | L | 28.9 | Very low | 29.2 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | 99.3 | 93.1 | 44 | -95.2 | 170 | 0 | 0 | 0 | 114.4 | ||||
| 1379 | R | 28.9 | Very low | 29.1 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | 176.3 | 137.2 | 133.2 | -97.5 | 161.1 | -174.4 | -165.1 | 2.7 | 109 | ||||
| 1380 | R | 29.5 | Very low | 29.1 | Very low | 216 Ų | 216 | 150.9 Ų | 150.9 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | cis | -161.6 | 133.8 | 6.3 | -156.2 | 177.2 | -165.1 | 175 | 2.1 | 112.1 | ||||
| 1381 | A | 31.1 | Very low | 29.1 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 66.3 | 143.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1382 | R | 30 | Very low | 29 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | cis | -159.7 | 133.8 | -3.4 | -126.8 | 176.4 | -175.3 | 176.5 | -0.9 | 112.7 | ||||
| 1383 | S | 31.5 | Very low | 28.9 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 46.8 | 141.9 | 141.8 | 52.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1384 | K | 30.7 | Very low | 28.7 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | cis | -164.5 | 132.9 | -0.6 | -107.3 | -179.6 | 175.8 | -168.4 | 0 | 106.9 | ||||
| 1385 | S | 29 | Very low | 28.7 | Very low | 85 Ų | 85 | 149.3 Ų | 149.3 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | 61.9 | 140.9 | 91 | 85 | 0 | 0 | 0 | 0 | 115 | |||||
| 1386 | E | 30 | Very low | 28.8 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | cis | -158.5 | -175.3 | 14.9 | -148.4 | 135.7 | -131.2 | 0 | 0 | 113 | ||||
| 1387 | T | 27.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 158.6 | -174.4 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1388 | F | 28.6 | Very low | 28.8 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | -175 | -166.2 | 122.4 | -114.9 | -91.6 | 0 | 0 | 0 | 114.3 | |||||
| 1389 | R | 27.7 | Very low | 28.9 | Very low | 204 Ų | 204 | 153 Ų | 153 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -103.7 | 156.6 | -155.4 | -71.3 | 173.7 | 168 | 163.9 | -6.3 | 116.4 | ||||
| 1390 | N | 24.6 | Very low | 29 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 27 | 137.3 | 142.2 | -46.1 | 16.3 | 0 | 0 | 0 | 118.5 | ||||
| 1391 | T | 26.9 | Very low | 29.2 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | -173.4 | 152.1 | 57.4 | -45.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1392 | E | 26.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 105.9 | 155.8 | -85.8 | 158.7 | -151.9 | 0 | 0 | 123 | ||||
| 1393 | M | 26.5 | Very low | 29.1 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | trans | 72.8 | 145.5 | 134.5 | -73.5 | -169.8 | 60.3 | 0 | 0 | 124.7 | ||||
| 1394 | S | 27.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 67 | 109.5 | 162.9 | 36.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1395 | S | 27.9 | Very low | 28.7 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 91.1 | 129.5 | 73.7 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1396 | D | 30.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | cis | -156.4 | -178.6 | 4 | -76 | -38.9 | 0 | 0 | 0 | 110.8 | ||||
| 1397 | Q | 30.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 74.3 | 115.9 | 162.1 | -63.6 | -168 | -84.1 | 0 | 0 | 117.5 | ||||
| 1398 | E | 30.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 88.4 | 129.2 | 70.5 | -77.4 | 166.3 | -175.4 | 0 | 0 | 111.8 | |||||
| 1399 | D | 31.2 | Very low | 28.9 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | cis | -111.4 | -146.9 | -5 | -64.6 | -54.8 | 0 | 0 | 0 | 109.9 | ||||
| 1400 | D | 32.4 | Very low | 29.2 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | cis | -155.8 | -174.3 | -0.7 | 50.5 | -119.1 | 0 | 0 | 0 | 108.7 | ||||
| 1401 | D | 32 | Very low | 29.5 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | -157.4 | 159.3 | -68.1 | -170.7 | 48.5 | 0 | 0 | 0 | 106.4 | |||||
| 1402 | E | 31.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | cis | -98.5 | -177.6 | -0.2 | -41.3 | 159.8 | 106.5 | 0 | 0 | 110.8 | ||||
| 1403 | D | 28.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | cis | -152 | 154.5 | -12.3 | 152.6 | 56.3 | 0 | 0 | 0 | 106.5 | S1405 | D1403-S1405 PolarHBondContact OD1-N 3.35Š| ||
| 1404 | F | 27.8 | Very low | 30.2 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -178 | 82.2 | 145.1 | -108.8 | -69.3 | 0 | 0 | 0 | 110.1 | ||||
| 1405 | S | 25.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -125.3 | 86.5 | -175.8 | 70.9 | 0 | 0 | 0 | 0 | 116.9 | D1403 | D1403-S1405 PolarHBondContact OD1-N 3.35Š| ||
| 1406 | V | 32.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -141.8 | -34.5 | 161.5 | -177 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1407 | Y | 31.1 | Very low | 30 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -100.1 | 6.5 | -165.5 | -81.4 | -83.9 | 0 | 0 | 0 | 116.6 | ||
| 1408 | A | 28.2 | Very low | 29.7 | Very low | 55 Ų | 55 | 143.2 Ų | 143.2 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -81.4 | -41.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1409 | D | 28.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.2 | -26.5 | -159.2 | -64.8 | -53.3 | 0 | 0 | 0 | 115.1 | I1411 R1412 | D1409-I1411 PolarHBondContact O-N 3.29Å; D1409-I1411 VanDerWaalsContact O-N 3.11Å; D1409-R1412 PolarHBondContact O-N 2.83Å; D1409-R1412 VanDerWaalsContact O-N 3.13Å; D1409-R1412 IonicContact OD1-NH1 3.37Å; D1409-R1412 PolarHBondContact OD1-NH1 3.37Å; D1409-R1412 VanDerWaalsContact OD1-NH1 3.15Å |
| 1410 | I | 32.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -61.1 | -23.2 | 176.4 | -63.8 | 175.7 | 0 | 0 | 0 | 112.1 | ||
| 1411 | I | 31.8 | Very low | 29 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -84.3 | -20.7 | -178.4 | -65.2 | 179.3 | 0 | 0 | 0 | 112.5 | D1409 | D1409-I1411 PolarHBondContact O-N 3.29Å; D1409-I1411 VanDerWaalsContact O-N 3.11Å |
| 1412 | R | 28.3 | Very low | 28.7 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -33 | -177.3 | -76.2 | 178.9 | 168.9 | 139.6 | -6.5 | 113.5 | D1409 I1414 | D1409-R1412 PolarHBondContact O-N 2.83Å; D1409-R1412 VanDerWaalsContact O-N 3.13Å; D1409-R1412 IonicContact OD1-NH1 3.37Å; D1409-R1412 PolarHBondContact OD1-NH1 3.37Å; D1409-R1412 VanDerWaalsContact OD1-NH1 3.15Å; R1412-I1414 PolarHBondContact O-N 3.29Å |
| 1413 | E | 31.2 | Very low | 28.3 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -78.3 | -18.5 | -173.6 | -159.6 | 170.1 | -152.7 | 0 | 0 | 114.1 | N1415 | E1413-N1415 PolarHBondContact O-N 3.06Š|
| 1414 | I | 33.9 | Very low | 28 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -79.2 | -16.7 | -171.9 | -66.3 | 175.7 | 0 | 0 | 0 | 113.5 | R1412 | R1412-I1414 PolarHBondContact O-N 3.29Š|
| 1415 | N | 26.7 | Very low | 28.1 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -92.8 | -1.2 | -170.2 | -84.2 | -60.6 | 0 | 0 | 0 | 116.1 | E1413 | E1413-N1415 PolarHBondContact O-N 3.06Š|
| 1416 | S | 26.7 | Very low | 27.9 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.9 | 53.5 | -171.1 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1417 | N | 28.3 | Very low | 27.4 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | -160 | 114.9 | 148.1 | -102.9 | -44.1 | 0 | 0 | 0 | 113.9 | ||||
| 1418 | K | 25.1 | Very low | 27.7 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -130.3 | 87.2 | 173.8 | -93.3 | -175.5 | 178.2 | 168.2 | 0 | 111.6 | ||||
| 1419 | S | 27.9 | Very low | 27.9 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -165.9 | 143.1 | 158.5 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1420 | S | 26.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -176.2 | 143.6 | -16.8 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1421 | V | 25.4 | Very low | 27.6 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | trans | 66.8 | 135.9 | 155.1 | 170.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1422 | Q | 24.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -136.2 | -161.9 | 4.3 | -133.3 | 156.4 | 3.5 | 0 | 0 | 107 | ||||
| 1423 | W | 23.1 | Very low | 27.2 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | cis | -140.8 | -177.7 | 0.7 | -110.9 | 120.6 | 0 | 0 | 0 | 109.2 | ||||
| 1424 | K | 21.6 | Very low | 26.9 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -166.8 | 175.9 | -177 | -102.8 | -179.2 | -178.1 | 174.7 | 0 | 107.8 | ||||
| 1425 | P | 29.3 | Very low | 26.4 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -140.8 | -158.8 | -33.2 | 37.5 | -16.8 | 0 | 0 | 0 | 112.7 | ||||
| 1426 | R | 22.4 | Very low | 26.3 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | 84.8 | 123.8 | 159.8 | -68.8 | 156.1 | -175 | -153.4 | -0.4 | 117 | ||||
| 1427 | F | 22.5 | Very low | 26.1 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | 83.5 | 151.8 | 52.6 | -80.9 | -66.5 | 0 | 0 | 0 | 112.5 | |||||
| 1428 | P | 36.4 | Very low | 26 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | -133.5 | -134 | -55.7 | 39.5 | -18 | 0 | 0 | 0 | 108.7 | |||||
| 1429 | P | 32.5 | Very low | 26.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | cis | -118 | -144.4 | -36.1 | 40.2 | -22.4 | 0 | 0 | 0 | 111.3 | ||||
| 1430 | A | 29.3 | Very low | 26.1 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -114.6 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1431 | S | 25.7 | Very low | 26.1 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 81.8 | 113.4 | 163.8 | 79.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1432 | T | 28.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | trans | -156 | 156.2 | 131 | 13.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1433 | S | 23.8 | Very low | 26.6 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -4.8 | 139.2 | 156.9 | 50 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1434 | A | 24.7 | Very low | 26.8 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 59.7 | 145.4 | 68.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1435 | N | 23.3 | Very low | 27.1 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | cis | -155.8 | -169.2 | 17.3 | -154.5 | 34 | 0 | 0 | 0 | 111 | ||||
| 1436 | E | 24.4 | Very low | 27.2 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 69.3 | 133.1 | 162.1 | -75.2 | 126.7 | -123.2 | 0 | 0 | 116.7 | ||||
| 1437 | M | 23.8 | Very low | 27.4 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | cis | 76.5 | 138.6 | 49.8 | -59.6 | 158.8 | 94.5 | 0 | 0 | 111.6 | ||||
| 1438 | E | 26.1 | Very low | 27.5 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | cis | -140.4 | -103.5 | 7.8 | -140.8 | 175.8 | -129.3 | 0 | 0 | 115.6 | ||||
| 1439 | P | 27.9 | Very low | 27 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | -116.6 | 171.6 | -110.6 | 34.9 | -22.5 | 0 | 0 | 0 | 114.7 | G1441 | P1439-G1441 PolarHBondContact O-N 3.48Š| |||
| 1440 | V | 27.7 | Very low | 26.6 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -67.7 | 120.5 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1441 | G | 25.3 | Very low | 26.3 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -123.1 | 87 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1439 | P1439-G1441 PolarHBondContact O-N 3.48Š| ||
| 1442 | S | 32.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -110.7 | 126.8 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1443 | A | 28.3 | Very low | 25.9 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -153 | 86.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1444 | R | 27.4 | Very low | 26 | Very low | 248 Ų | 248 | 127.9 Ų | 127.9 | 94% | 0.936 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 177.4 | 67.8 | 148.8 | -98.1 | 173.4 | -170.2 | -154.3 | 2.2 | 106.3 | ||
| 1445 | T | 28.4 | Very low | 25.9 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | 60.4 | 143.3 | 51.5 | 72 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1446 | P | 31.5 | Very low | 26.1 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | cis | -144.1 | 163 | 34.4 | 43.2 | -24.6 | 0 | 0 | 0 | 119.9 | ||||
| 1447 | L | 25 | Very low | 26.4 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 57.7 | 155.8 | 147 | -60.3 | 162.9 | 0 | 0 | 0 | 118.2 | ||||
| 1448 | E | 25.5 | Very low | 26.7 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -153.9 | 161.4 | 3.7 | -141.3 | 161.1 | -135.5 | 0 | 0 | 113 | ||||
| 1449 | N | 25.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 12.4 | 138.9 | 156.9 | -64.5 | -25.3 | 0 | 0 | 0 | 124.6 | ||||
| 1450 | N | 24.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 62.5 | 118.1 | 136.6 | -63.6 | -17 | 0 | 0 | 0 | 122.8 | ||||
| 1451 | A | 22.7 | Very low | 26.5 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | 30.9 | 154.6 | 120.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1452 | I | 23.4 | Very low | 26.4 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 86.5 | 92 | 164 | -57.4 | 177.9 | 0 | 0 | 0 | 116.6 | ||||
| 1453 | T | 22.4 | Very low | 26.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | 68.3 | 159.6 | 125.3 | -41 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1454 | V | 24.9 | Very low | 25.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | 75.3 | 103.5 | 173.5 | -167 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1455 | V | 24.4 | Very low | 26 | Very low | 109 Ų | 109 | 128 Ų | 128 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | cis | 98.7 | 135.3 | 43.4 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1456 | E | 27.1 | Very low | 25.9 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 67.2 | 142.5 | 168.6 | -80.1 | 155.5 | -146.2 | 0 | 0 | 117.3 | ||||
| 1457 | N | 29.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | cis | -125.1 | 166.3 | 4.5 | -90 | -69.2 | 0 | 0 | 0 | 110.3 | ||||
| 1458 | T | 31.1 | Very low | 25.7 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | -145.9 | 159.1 | 23.1 | -35.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1459 | L | 28.3 | Very low | 25.7 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -40.3 | 150.4 | 176.9 | -61.2 | 78.1 | 0 | 0 | 0 | 115.7 | ||||
| 1460 | A | 23 | Very low | 25.6 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | cis | 75 | 147.2 | 31.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1461 | K | 26.3 | Very low | 25.9 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 65.8 | 123.5 | 175.5 | -62.2 | -179.7 | 179.6 | 177.8 | 0 | 114.9 | ||||
| 1462 | S | 22.3 | Very low | 26.1 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | 77.2 | 108.1 | 46.7 | 82.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1463 | S | 28.1 | Very low | 26.2 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -158.9 | 104.6 | 152.4 | 57 | 0 | 0 | 0 | 0 | 111 | ||||
| 1464 | S | 22.9 | Very low | 26.4 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -84.8 | 110.6 | 162.3 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1465 | I | 29.1 | Very low | 26.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -139.8 | 107.9 | 159.7 | -43.5 | -178.9 | 0 | 0 | 0 | 102.1 | ||||
| 1466 | A | 26.6 | Very low | 26.5 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | 61.4 | 138 | 69.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1467 | E | 26.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -159.7 | 160.6 | -3.6 | -140.1 | -179.5 | -124.7 | 0 | 0 | 108.9 | ||||
| 1468 | Q | 26.1 | Very low | 26.4 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 66 | 149 | 166.8 | -53.4 | 167.8 | 33.1 | 0 | 0 | 114.4 | ||||
| 1469 | E | 25.8 | Very low | 26.3 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | cis | -127 | 165.5 | 14 | -62.5 | -179.1 | 135.2 | 0 | 0 | 112.9 | ||||
| 1470 | S | 23.4 | Very low | 26.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -121.2 | 142.4 | 148.5 | 73.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1471 | P | 29.5 | Very low | 26.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | -152.6 | 156.9 | 101.2 | 38 | -21 | 0 | 0 | 0 | 116.9 | |||||
| 1472 | K | 27.7 | Very low | 26.8 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 44 | 122.4 | 140.6 | -62.7 | 173.9 | -178.7 | 173.8 | 0 | 120.4 | ||||
| 1473 | N | 24.9 | Very low | 27.2 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 51.8 | 111.7 | 138.8 | -61.7 | 0.8 | 0 | 0 | 0 | 119.5 | ||||
| 1474 | R | 26.3 | Very low | 27.2 | Very low | 243 Ų | 243 | 136 Ų | 136 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | -151.8 | 124.7 | 120.5 | -122.8 | 172.8 | -172.9 | 171.8 | 3 | 113.6 | |||||
| 1475 | S | 24.2 | Very low | 27.3 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 146 | 165 | 46.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1476 | S | 28.1 | Very low | 27.2 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 28.2 | 111.5 | 147.2 | 61 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1477 | I | 27.8 | Very low | 27.1 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -146 | 137 | 150.2 | -61.2 | -176.7 | 0 | 0 | 0 | 106.3 | ||||
| 1478 | S | 26.7 | Very low | 27 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | cis | -158.3 | 175.2 | -26 | 66.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1479 | A | 28.6 | Very low | 26.8 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | -152.3 | 155.9 | 69.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1480 | A | 26 | Very low | 27 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -115.6 | -162 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1481 | P | 34.7 | Very low | 27.2 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -142.5 | -168.6 | 6.2 | 42.9 | -21.5 | 0 | 0 | 0 | 116.5 | ||||
| 1482 | E | 27.9 | Very low | 27.2 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 60.1 | 108.2 | 147.3 | -78.3 | 158.5 | -134 | 0 | 0 | 121.6 | ||||
| 1483 | H | 29.8 | Very low | 27.3 | Very low | 186 Ų | 186 | 138 Ų | 138 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | 178.7 | 152.8 | 106.3 | -89.2 | -71.4 | 0 | 0 | 0 | 108.6 | |||||
| 1484 | A | 29.1 | Very low | 27.4 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | cis | -163 | 163.7 | -27.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1485 | V | 24.5 | Very low | 27.6 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 93% | 0.933 | 79% | 0.794 | S | S | * | * | trans | -87.1 | 122.3 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1486 | A | 27.7 | Very low | 27.6 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -158.3 | 137.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1487 | T | 23.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 133.9 | 154 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1488 | L | 24.1 | Very low | 27.9 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | -174.9 | 166 | 114 | -137.8 | 73.8 | 0 | 0 | 0 | 111.9 | |||||
| 1489 | E | 22.6 | Very low | 27.7 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -85.4 | 159.7 | 170.7 | -68.7 | 172 | 130 | 0 | 0 | 112.8 | ||||
| 1490 | E | 29.3 | Very low | 27.7 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 27.9 | 133.6 | 147.6 | -60.6 | -169.6 | 159.1 | 0 | 0 | 122.8 | ||||
| 1491 | H | 28.2 | Very low | 27.7 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | -157.7 | 132 | 128.2 | -91.2 | -14.7 | 0 | 0 | 0 | 107.8 | |||||
| 1492 | T | 29.1 | Very low | 27.8 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | -172.5 | 164.1 | 65 | 37.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1493 | A | 29.9 | Very low | 27.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | cis | -173.8 | 117.3 | -28.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1494 | A | 27.1 | Very low | 28 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -174.8 | 140.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1495 | Q | 30.6 | Very low | 28.1 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | cis | -156.5 | 143.3 | -14.9 | -118.5 | -178.8 | 1.3 | 0 | 0 | 107.1 | ||||
| 1496 | N | 23.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | trans | -91.2 | 121.4 | 172.8 | -99.6 | -32.5 | 0 | 0 | 0 | 110.3 | ||||
| 1497 | A | 32.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -145.3 | 130.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1498 | T | 30.1 | Very low | 28.4 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | trans | -65 | 133.7 | 179 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1499 | G | 24 | Very low | 28.5 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | 64.9 | 162.4 | 123.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1500 | V | 28.1 | Very low | 28.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | 87.6 | 126.6 | 173.8 | -171.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1501 | K | 25.5 | Very low | 28.6 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -98 | -171.9 | -178.6 | -74.5 | 175.3 | 177.5 | 174 | 0 | 110.1 | ||||
| 1502 | P | 36.8 | Very low | 28.4 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | cis | -131.8 | 178.7 | -38.8 | 31.7 | -13.8 | 0 | 0 | 0 | 112.7 | ||||
| 1503 | L | 29.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 159.7 | 123.3 | 132.7 | -87 | 159.3 | 0 | 0 | 0 | 106.5 | ||||
| 1504 | S | 32.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | -139.2 | 150.6 | 22.3 | 56 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1505 | Q | 30 | Very low | 28.1 | Very low | 151 Ų | 151 | 142 Ų | 142 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | cis | 59.9 | 131.3 | 43.1 | -65 | -166.7 | -3.3 | 0 | 0 | 113 | ||||
| 1506 | S | 29.9 | Very low | 27.9 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | cis | -137.3 | 129.1 | 23.7 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1507 | N | 28.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | 102.6 | 116.4 | 91 | -80.9 | -6.6 | 0 | 0 | 0 | 113.2 | |||||
| 1508 | S | 23.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -76.3 | 138.9 | 158.6 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1509 | R | 26.4 | Very low | 28.2 | Very low | 230 Ų | 230 | 137.6 Ų | 137.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -163.1 | 156 | 172.6 | -121.3 | 178.1 | -179 | -174.2 | -0 | 110.7 | ||||
| 1510 | S | 28.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 57.8 | 139.9 | -172.7 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1511 | K | 25.1 | Very low | 28.9 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | cis | 58.1 | 65 | 9.9 | -74 | -166 | 175.7 | -175.9 | 0 | 115.2 | A1513 | K1511-A1513 VanDerWaalsContact C-N 3.3Å; K1511-A1513 PolarHBondContact O-N 3.24Å | ||
| 1512 | S | 25.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -82.7 | 77.8 | 157.6 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1513 | A | 25.3 | Very low | 28.7 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -87.9 | 72.1 | 137.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | K1511 | K1511-A1513 VanDerWaalsContact C-N 3.3Å; K1511-A1513 PolarHBondContact O-N 3.24Å | ||
| 1514 | D | 26.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -106 | 82 | 170.5 | -118.2 | -41.8 | 0 | 0 | 0 | 109.7 | ||||
| 1515 | K | 26.2 | Very low | 28.5 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -95.6 | 97.4 | 168.2 | -97.5 | -172.7 | 175.3 | 178.2 | 0 | 109.2 | ||||
| 1516 | K | 27.6 | Very low | 28.4 | Very low | 183 Ų | 183 | 152 Ų | 152 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -167.5 | 119.7 | 147.2 | -99.3 | 142.1 | -175.8 | -179 | 0 | 108.5 | ||||
| 1517 | V | 35.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | cis | 52.7 | 89.7 | 12.4 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1518 | P | 30.6 | Very low | 28.5 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | -128 | 113.6 | 109.4 | 29.3 | -18 | 0 | 0 | 0 | 109.6 | |||||
| 1519 | A | 26.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 153.5 Ų | 153.5 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | 117.6 | -174.5 | 86.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 1520 | E | 32.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | cis | -158 | -177.7 | 38.9 | -64.3 | -170.7 | 118.3 | 0 | 0 | 108 | ||||
| 1521 | K | 33.4 | Very low | 29 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | cis | -145.4 | 154.2 | 28.7 | -70.7 | 176 | 175.3 | 173.5 | 0 | 112.6 | K1523 | K1521-K1523 PolarHBondContact O-N 3.17Š| ||
| 1522 | K | 29.5 | Very low | 29.1 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -57.6 | 123.7 | 160 | -75.6 | 178.8 | 175.2 | 175.2 | 0 | 108.5 | ||||
| 1523 | K | 28.8 | Very low | 29.5 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -64.2 | 155 | 161.9 | -61.4 | 177.5 | 177.8 | -179.9 | 0 | 109.4 | K1521 | K1521-K1523 PolarHBondContact O-N 3.17Š| ||
| 1524 | L | 28.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 149 Ų | 149 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -165.4 | 73.4 | 137.3 | -108.5 | 164.3 | 0 | 0 | 0 | 114.7 | ||||
| 1525 | R | 30.4 | Very low | 29.4 | Very low | 253 Ų | 253 | 145.9 Ų | 145.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -141.3 | 125.8 | 141.3 | -88.4 | -169.6 | 173.4 | -161.2 | 0.3 | 105.7 | ||
| 1526 | G | 27.3 | Very low | 29.4 | Very low | 62 Ų | 62 | 141.6 Ų | 141.6 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | S | Bend | cis | -168.7 | 158.7 | -13.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1527 | A | 31.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 54.7 | 120.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1528 | G | 29.5 | Very low | 28.9 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 108.2 | 131.1 | -9.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1529 | K | 31.1 | Very low | 28.7 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -162.6 | 137.5 | 152.7 | -108 | 165.1 | -173.8 | 179.9 | 0 | 110.4 | ||||
| 1530 | P | 30.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -91 | -177.1 | -179.7 | 37 | -35.6 | 0 | 0 | 0 | 113.3 | ||||
| 1531 | K | 27.5 | Very low | 28.4 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -74.2 | 145.5 | -167.8 | -58.2 | 179.1 | 177.9 | -177.7 | 0 | 115.2 | ||||
| 1532 | S | 26.2 | Very low | 28 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 65.2 | 157.1 | 147.3 | 52.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1533 | P | 35.5 | Very low | 27.9 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -127.5 | -176 | 12.4 | 42.9 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 1534 | A | 23.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 93 | 133.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1535 | A | 26.1 | Very low | 27.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 66.1 | 104.7 | 145.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1536 | S | 24.9 | Very low | 27.3 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 66.7 | 119 | 125.4 | 65.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1537 | K | 25.6 | Very low | 27.3 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | 98.1 | 151.6 | 125 | -88.4 | -170.2 | 173.6 | -163.3 | 0 | 121.2 | |||||
| 1538 | D | 27.6 | Very low | 27.2 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 62.5 | 118 | 168.5 | -46.4 | -27 | 0 | 0 | 0 | 116.3 | ||||
| 1539 | V | 25.7 | Very low | 27.1 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | cis | 104.4 | 132.5 | 23.7 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1540 | A | 28 | Very low | 27 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | 68.6 | 148.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1541 | E | 26.1 | Very low | 27.1 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | cis | -159.7 | -171.3 | -24.1 | -122.6 | 159.2 | -174.5 | 0 | 0 | 111.1 | ||||
| 1542 | E | 24.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -31.5 | 146.8 | 179.6 | -50.8 | -176.4 | 138.4 | 0 | 0 | 119.9 | ||||
| 1543 | A | 27.9 | Very low | 27.1 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | 175.8 | 130 | 101.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1544 | F | 21.7 | Very low | 26.6 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -105.8 | 131.8 | 161.4 | -91.8 | -97.1 | 0 | 0 | 0 | 109.2 | ||||
| 1545 | P | 28.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -98.7 | 107.6 | 164.6 | 33.3 | -26.7 | 0 | 0 | 0 | 110.9 | ||||
| 1546 | T | 24.5 | Very low | 26.7 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 136.7 | 157.4 | 36.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1547 | Q | 26.8 | Very low | 26.9 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -117.1 | 133 | 168.8 | -73.7 | -166.3 | -24.9 | 0 | 0 | 110 | ||||
| 1548 | P | 28.2 | Very low | 27 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -82.3 | 147.6 | 162.8 | 34.4 | -31.8 | 0 | 0 | 0 | 110.4 | E1550 | P1548-E1550 PolarHBondContact O-N 2.81Š| ||
| 1549 | E | 28.8 | Very low | 27.1 | Very low | 194 Ų | 194 | 157.1 Ų | 157.1 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 115.6 | -179.4 | -66.5 | -177.7 | 119.5 | 0 | 0 | 112.2 | N1551 | E1549-N1551 PolarHBondContact O-N 3.32Š| ||
| 1550 | E | 27.9 | Very low | 27.3 | Very low | 167 Ų | 167 | 157.2 Ų | 157.2 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 108.2 | 165.3 | -72.3 | -168 | 142.3 | 0 | 0 | 110.7 | P1548 R1552 | P1548-E1550 PolarHBondContact O-N 2.81Å; E1550-R1552 PolarHBondContact O-N 3.3Å | ||
| 1551 | N | 32.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 163.7 Ų | 163.7 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -71.4 | 96.4 | 173.6 | -111.9 | -32.9 | 0 | 0 | 0 | 111.4 | E1549 I1553 | E1549-N1551 PolarHBondContact O-N 3.32Å; N1551-I1553 PolarHBondContact O-N 3.39Å | ||
| 1552 | R | 24.6 | Very low | 27.4 | Very low | 227 Ų | 227 | 158.6 Ų | 158.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 88.6 | 178.1 | -72.5 | -178 | 172.8 | -179.9 | -0.6 | 112.5 | E1550 | E1550-R1552 PolarHBondContact O-N 3.3Š| ||
| 1553 | I | 29.7 | Very low | 27.7 | Very low | 146 Ų | 146 | 157 Ų | 157 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -90 | 113.4 | 161.3 | -60.1 | -179.6 | 0 | 0 | 0 | 108.9 | N1551 | N1551-I1553 PolarHBondContact O-N 3.39Š| ||
| 1554 | G | 24.8 | Very low | 27.9 | Very low | 83 Ų | 83 | 162.1 Ų | 162.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -108.8 | 78.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1555 | S | 25.1 | Very low | 28.2 | Very low | 102 Ų | 102 | 160.7 Ų | 160.7 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -140 | 16.7 | -178.3 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1556 | T | 28.1 | Very low | 28.2 | Very low | 118 Ų | 118 | 165.1 Ų | 165.1 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -119.2 | 12.2 | -170.8 | -16.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1557 | R | 28.5 | Very low | 28.5 | Very low | 239 Ų | 239 | 170.4 Ų | 170.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -96.9 | -3.2 | -175.1 | -75.9 | -172.1 | 177.1 | 178.7 | 0.5 | 116.6 | ||
| 1558 | Y | 27.7 | Very low | 28.4 | Very low | 224 Ų | 224 | 166.5 Ų | 166.5 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -93.1 | -30.6 | -176.9 | -109.3 | -88.3 | 0 | 0 | 0 | 115 | ||
| 1559 | Y | 29.2 | Very low | 28.4 | Very low | 206 Ų | 206 | 168.7 Ų | 168.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -79.7 | -22.7 | -170.7 | -123.7 | -106.3 | 0 | 0 | 0 | 115.3 | R1561 S1562 | Y1559-R1561 VanDerWaalsContact C-N 3.32Å; Y1559-R1561 PolarHBondContact O-N 3.19Å; Y1559-S1562 PolarHBondContact O-OG 3.38Å; Y1559-S1562 VanDerWaalsContact O-OG 3.05Å |
| 1560 | L | 30 | Very low | 28.4 | Very low | 136 Ų | 136 | 166.7 Ų | 166.7 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -85.5 | 7.1 | -176.3 | -72.2 | 170.3 | 0 | 0 | 0 | 115 | ||
| 1561 | R | 27.3 | Very low | 28.6 | Very low | 216 Ų | 216 | 166.2 Ų | 166.2 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -99.4 | -11.7 | 177.7 | -90.4 | -175.9 | 168.7 | -177.7 | -2.8 | 115.2 | Y1559 | Y1559-R1561 VanDerWaalsContact C-N 3.32Å; Y1559-R1561 PolarHBondContact O-N 3.19Å |
| 1562 | S | 29.5 | Very low | 28.6 | Very low | 73 Ų | 73 | 167.7 Ų | 167.7 | 51% | 0.51 | 80% | 0.8 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -48.5 | 177.7 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | Y1559 K1564 K1565 | Y1559-S1562 PolarHBondContact O-OG 3.38Å; Y1559-S1562 VanDerWaalsContact O-OG 3.05Å; S1562-K1564 PolarHBondContact O-N 3.31Å; S1562-K1565 PolarHBondContact O-N 3.18Å |
| 1563 | L | 30.8 | Very low | 28.7 | Very low | 145 Ų | 145 | 165.6 Ų | 165.6 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -65.7 | -32.2 | -174.6 | -77.2 | 164.1 | 0 | 0 | 0 | 114.3 | K1565 | L1563-K1565 PolarHBondContact O-N 3.47Å; L1563-K1565 VanDerWaalsContact O-N 3.16Å |
| 1564 | K | 31.3 | Very low | 29.1 | Very low | 201 Ų | 201 | 164.4 Ų | 164.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -78.6 | 14.8 | 175.5 | -74 | -162.4 | 172.3 | -171.7 | 0 | 114.6 | S1562 | S1562-K1564 PolarHBondContact O-N 3.31Š|
| 1565 | K | 29.2 | Very low | 29.4 | Very low | 177 Ų | 177 | 164.2 Ų | 164.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -121.9 | 12.3 | -177.6 | -140.7 | -179 | -178.5 | -173.2 | 0 | 115.4 | S1562 L1563 | S1562-K1565 PolarHBondContact O-N 3.18Å; L1563-K1565 PolarHBondContact O-N 3.47Å; L1563-K1565 VanDerWaalsContact O-N 3.16Å |
| 1566 | R | 27.8 | Very low | 29.6 | Very low | 211 Ų | 211 | 169 Ų | 169 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -124.9 | 7.8 | -179.6 | -85 | -173.9 | 170.3 | -179.9 | -3.1 | 116 | ||
| 1567 | R | 30.6 | Very low | 29.8 | Very low | 248 Ų | 248 | 169 Ų | 169 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -103.1 | 20 | 176.4 | -95.9 | -168.8 | 177.7 | -165.6 | -0.5 | 114.9 | ||
| 1568 | S | 26.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 168.8 Ų | 168.8 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -154.5 | 83 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1569 | L | 26.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 169.4 Ų | 169.4 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -166.4 | 70.8 | 166.4 | -112.9 | 167.8 | 0 | 0 | 0 | 110.8 | ||||
| 1570 | N | 29.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 175.1 Ų | 175.1 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -165.8 | 118.4 | 152.5 | -94.4 | -11.1 | 0 | 0 | 0 | 105.7 | ||
| 1571 | D | 32.4 | Very low | 29.8 | Very low | 157 Ų | 157 | 177.1 Ų | 177.1 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | 58.4 | 134.6 | 169.6 | -50.9 | -32.5 | 0 | 0 | 0 | 117.7 | ||||
| 1572 | E | 31.5 | Very low | 30 | Very low | 190 Ų | 190 | 175 Ų | 175 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | cis | -136.4 | 176.1 | 2.9 | -64.6 | -174.8 | 121.5 | 0 | 0 | 112 | ||||
| 1573 | Q | 27.4 | Very low | 30 | Very low | 184 Ų | 184 | 180.7 Ų | 180.7 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -135.9 | 162.6 | 161.9 | -98.1 | -161.7 | 21.6 | 0 | 0 | 109.4 | ||||
| 1574 | P | 37.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 182.8 Ų | 182.8 | 79% | 0.786 | 87% | 0.867 | S | S | * | * | cis | -134.8 | 170.3 | -22.3 | 37.5 | -21.2 | 0 | 0 | 0 | 113.6 | ||||
| 1575 | G | 31 | Very low | 29.9 | Very low | 79 Ų | 79 | 181.6 Ų | 181.6 | 81% | 0.814 | 87% | 0.867 | S | S | * | * | trans | -153.1 | 121.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1576 | H | 30.3 | Very low | 29.9 | Very low | 202 Ų | 202 | 181.9 Ų | 181.9 | 94% | 0.935 | 87% | 0.873 | S | S | * | * | trans | -90 | 135.6 | 179.1 | -89.1 | -47.7 | 0 | 0 | 0 | 113.5 | ||||
| 1577 | S | 31.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 179.9 Ų | 179.9 | 83% | 0.832 | 88% | 0.879 | S | S | * | * | trans | -149.7 | 176.6 | 137.4 | 86.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1578 | R | 27.3 | Very low | 30 | Very low | 233 Ų | 233 | 174.6 Ų | 174.6 | 88% | 0.879 | 87% | 0.874 | S | S | * | * | trans | -130.6 | 134.7 | -171.6 | -63.6 | 164.5 | 161.4 | 168 | -8.3 | 111.5 | ||||
| 1579 | R | 29.6 | Very low | 30.3 | Very low | 237 Ų | 237 | 180.7 Ų | 180.7 | 89% | 0.894 | 89% | 0.888 | S | S | * | * | 152 | 144.8 | 121.3 | -89 | 177.4 | 163.3 | 174.4 | -4.7 | 113.4 | |||||
| 1580 | R | 29.8 | Very low | 30.7 | Very low | 326 Ų | 326 | 181.7 Ų | 181.7 | 100% | 1.23 | 89% | 0.888 | S | S | * | * | trans | 70.5 | 0 | -176.3 | -69.3 | -174 | 168.9 | 176.7 | -3.7 | 113.5 |
Retrieved 1,580 of 1,580 residues in 2908.2 ms
(Link to these results)