| 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 | 46.5 | Very low | 46.7 | Very low | 120 Ų | 120 | 83.3 Ų | 83.3 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | 0 | -31.2 | 0 | -68.9 | -55.2 | -160.7 | 0 | 0 | 114.1 | V3 L4 A5 F10 E40 | M1-V3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 HydrophobicContact SD-CD1 4.41Å; M1-A5 PolarHBondContact O-N 3.45Å; M1-F10 HydrophobicContact CB-CE2 4.24Å; M1-F10 HydrophobicContact CG-CE2 4.35Å; M1-F10 HydrophobicContact SD-CD2 4.43Å; M1-F10 HydrophobicContact SD-CE2 3.71Å; M1-E40 WeakPolarHBondContact CA-OE1 3.4Å; M1-E40 PolarHBondContact N-OE1 3.38Å; M1-E40 PolarHBondContact N-OE2 3.08Å | |||
| 2 | D | 41.6 | Very low | 46.7 | Very low | 141 Ų | 141 | 87.9 Ų | 87.9 | 75% | 0.754 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.6 | -26.6 | -176.7 | -64.1 | -44.1 | 0 | 0 | 0 | 114.9 | N6 | D2-N6 PolarHBondContact O-N 3.47Å |
| 3 | V | 45.9 | Very low | 46.9 | Very low | 46 Ų | 46 | 84.6 Ų | 84.6 | 28% | 0.279 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | M1 N6 H7 | M1-V3 PolarHBondContact O-N 3.34Å; V3-N6 PolarHBondContact O-N 3.15Å; V3-H7 PolarHBondContact O-CD2 3.25Å; V3-H7 VanDerWaalsContact O-CD2 3.25Å |
| 4 | L | 42.3 | Very low | 47.2 | Very low | 8 Ų | 8 | 83.8 Ų | 83.8 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.8 | -32.7 | 178 | -67.9 | 172.6 | 0 | 0 | 0 | 112.9 | M1 H7 I9 F10 L13 E40 L43 | M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 HydrophobicContact SD-CD1 4.41Å; L4-H7 PolarHBondContact O-N 2.91Å; L4-I9 HydrophobicContact CD2-CG2 4.41Å; L4-I9 PolarHBondContact O-N 3.05Å; L4-F10 HydrophobicContact CB-CD2 4.25Å; L4-F10 PolarHBondContact O-N 3.29Å; L4-L13 HydrophobicContact CD1-CD1 4.4Å; L4-E40 HydrophobicContact CD1-CG 3.66Å; L4-E40 VanDerWaalsContact CD1-OE1 3.3Å; L4-E40 WeakPolarHBondContact CD1-OE1 3.44Å; L4-E40 HydrophobicContact CD2-CG 4.44Å; L4-E40 HydrophobicContact CG-CG 3.76Å; L4-E40 WeakPolarHBondContact CG-OE1 3.48Å; L4-L43 HydrophobicContact CD2-CD1 4.12Å |
| 5 | A | 45.9 | Very low | 47.4 | Very low | 51 Ų | 51 | 85.5 Ų | 85.5 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 H7 G8 F10 | M1-A5 PolarHBondContact O-N 3.45Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.28Å; A5-G8 PolarHBondContact O-N 3.42Å; A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CG 4.44Å |
| 6 | N | 44.4 | Very low | 47.7 | Very low | 146 Ų | 146 | 84.3 Ų | 84.3 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.6 | -21.5 | 178.4 | -86.7 | -21.1 | 0 | 0 | 0 | 114.2 | D2 V3 | D2-N6 PolarHBondContact O-N 3.47Å; V3-N6 PolarHBondContact O-N 3.15Å |
| 7 | H | 46.9 | Very low | 48 | Very low | 82 Ų | 82 | 84.1 Ų | 84.1 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 4.6 | -179.6 | -73.7 | -70.1 | 0 | 0 | 0 | 114.1 | V3 L4 A5 I9 | V3-H7 PolarHBondContact O-CD2 3.25Å; V3-H7 VanDerWaalsContact O-CD2 3.25Å; L4-H7 PolarHBondContact O-N 2.91Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.28Å; H7-I9 HydrophobicContact CB-CD1 3.92Å; H7-I9 HydrophobicContact CB-CG1 4.1Å; H7-I9 PolarHBondContact O-N 3.07Å; H7-I9 VanDerWaalsContact O-N 3.13Å |
| 8 | G | 51.1 | Low | 48.3 | Very low | 46 Ų | 46 | 85.4 Ų | 85.4 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 2.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | A5 F10 | A5-G8 PolarHBondContact O-N 3.42Å; G8-F10 VanDerWaalsContact C-N 3.27Å |
| 9 | I | 52.6 | Low | 48.7 | Very low | 54 Ų | 54 | 86.2 Ų | 86.2 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.8 | -25.4 | 178.1 | -57.8 | 171 | 0 | 0 | 0 | 110.2 | L4 H7 Q11 E12 L13 | L4-I9 HydrophobicContact CD2-CG2 4.41Å; L4-I9 PolarHBondContact O-N 3.05Å; H7-I9 HydrophobicContact CB-CD1 3.92Å; H7-I9 HydrophobicContact CB-CG1 4.1Å; H7-I9 PolarHBondContact O-N 3.07Å; H7-I9 VanDerWaalsContact O-N 3.13Å; I9-Q11 PolarHBondContact O-N 3.29Å; I9-E12 PolarHBondContact O-N 3.15Å; I9-L13 HydrophobicContact CG2-CD1 3.71Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 3.29Å |
| 10 | F | 46.6 | Very low | 48.8 | Very low | 68 Ų | 68 | 84.1 Ų | 84.1 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -34.5 | -179.9 | -159.4 | -92.6 | 0 | 0 | 0 | 113.6 | M1 L4 A5 G8 L13 Q14 | M1-F10 HydrophobicContact CB-CE2 4.24Å; M1-F10 HydrophobicContact CG-CE2 4.35Å; M1-F10 HydrophobicContact SD-CD2 4.43Å; M1-F10 HydrophobicContact SD-CE2 3.71Å; L4-F10 HydrophobicContact CB-CD2 4.25Å; L4-F10 PolarHBondContact O-N 3.29Å; A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CG 4.44Å; G8-F10 VanDerWaalsContact C-N 3.27Å; F10-L13 PolarHBondContact O-N 3.15Å; F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 3.21Å |
| 11 | Q | 50 | Low | 48.7 | Very low | 154 Ų | 154 | 87.8 Ų | 87.8 | 72% | 0.72 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.9 | -36.7 | 179.7 | -84.6 | -178.8 | -5.4 | 0 | 0 | 113 | I9 L15 | I9-Q11 PolarHBondContact O-N 3.29Å; Q11-L15 PolarHBondContact O-N 2.84Å |
| 12 | E | 46.9 | Very low | 48.6 | Very low | 139 Ų | 139 | 83.2 Ų | 83.2 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -73.5 | -38 | 177.1 | -68.7 | -72.1 | 150.1 | 0 | 0 | 111.4 | I9 V16 | I9-E12 PolarHBondContact O-N 3.15Å; E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.01Å |
| 13 | L | 49 | Very low | 48.9 | Very low | 45 Ų | 45 | 81.9 Ų | 81.9 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 175.1 | -68.4 | 167.5 | 0 | 0 | 0 | 112.1 | L4 I9 F10 V16 H17 W32 | L4-L13 HydrophobicContact CD1-CD1 4.4Å; I9-L13 HydrophobicContact CG2-CD1 3.71Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 3.29Å; F10-L13 PolarHBondContact O-N 3.15Å; L13-V16 PolarHBondContact O-N 3.17Å; L13-H17 PolarHBondContact O-N 3.47Å; L13-W32 HydrophobicContact CB-CZ2 4.17Å; L13-W32 HydrophobicContact CD2-CH2 3.14Å; L13-W32 HydrophobicContact CD2-CZ2 3.24Å; L13-W32 HydrophobicContact CD2-CZ3 4.25Å; L13-W32 HydrophobicContact CG-CH2 4.49Å; L13-W32 HydrophobicContact CG-CZ2 4.27Å |
| 14 | Q | 51.6 | Low | 49 | Very low | 73 Ų | 73 | 83.7 Ų | 83.7 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 176.9 | -166 | 70.7 | 32.4 | 0 | 0 | 111.7 | F10 V16 H17 D18 | F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 3.21Å; Q14-V16 VanDerWaalsContact C-N 3.29Å; Q14-V16 PolarHBondContact O-N 3.19Å; Q14-H17 PolarHBondContact O-N 2.82Å; Q14-D18 PolarHBondContact NE2-OD1 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.15Å |
| 15 | L | 50.1 | Low | 48.8 | Very low | 109 Ų | 109 | 87.3 Ų | 87.3 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.6 | -38.4 | 172.9 | -102 | 148.7 | 0 | 0 | 0 | 112.4 | Q11 T19 | Q11-L15 PolarHBondContact O-N 2.84Å; L15-T19 WeakPolarHBondContact O-CG2 3.26Å; L15-T19 PolarHBondContact O-N 3.48Å |
| 16 | V | 51.2 | Low | 49 | Very low | 66 Ų | 66 | 89.9 Ų | 89.9 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | E12 L13 Q14 T19 F22 | E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.01Å; L13-V16 PolarHBondContact O-N 3.17Å; Q14-V16 VanDerWaalsContact C-N 3.29Å; Q14-V16 PolarHBondContact O-N 3.19Å; V16-T19 PolarHBondContact O-OG1 2.84Å; V16-F22 HydrophobicContact CG1-CE2 4.14Å |
| 17 | H | 53.8 | Low | 49.2 | Very low | 82 Ų | 82 | 86.9 Ų | 86.9 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 174.7 | 179.6 | -87.7 | 0 | 0 | 0 | 112.3 | L13 Q14 T19 G20 | L13-H17 PolarHBondContact O-N 3.47Å; Q14-H17 PolarHBondContact O-N 2.82Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.77Å; H17-G20 PolarHBondContact O-N 2.9Å |
| 18 | D | 52.4 | Low | 49.1 | Very low | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.3 | -10.6 | -174.1 | -65.3 | -11.7 | 0 | 0 | 0 | 113.7 | Q14 G20 | Q14-D18 PolarHBondContact NE2-OD1 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.15Å; D18-G20 PolarHBondContact O-N 3.39Å |
| 19 | T | 55.4 | Low | 49.1 | Very low | 99 Ų | 99 | 85.5 Ų | 85.5 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 2.7 | 172.5 | 56.8 | 0 | 0 | 0 | 0 | 114 | L15 V16 H17 Y21 | L15-T19 WeakPolarHBondContact O-CG2 3.26Å; L15-T19 PolarHBondContact O-N 3.48Å; V16-T19 PolarHBondContact O-OG1 2.84Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.77Å; T19-Y21 PolarHBondContact O-N 3.2Å |
| 20 | G | 51.2 | Low | 49.2 | Very low | 45 Ų | 45 | 89.9 Ų | 89.9 | 46% | 0.464 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 10.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H17 D18 F22 S23 | H17-G20 PolarHBondContact O-N 2.9Å; D18-G20 PolarHBondContact O-N 3.39Å; G20-F22 PolarHBondContact O-N 3Å; G20-S23 WeakPolarHBondContact O-CB 3.37Å; G20-S23 PolarHBondContact O-N 3.23Å |
| 21 | Y | 46.1 | Very low | 49.6 | Very low | 161 Ų | 161 | 92 Ų | 92 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -63.8 | -28.3 | -177.6 | -160.5 | -97.2 | 0 | 0 | 0 | 112.8 | T19 | T19-Y21 PolarHBondContact O-N 3.2Š|
| 22 | F | 46.3 | Very low | 49.8 | Very low | 25 Ų | 25 | 87.7 Ų | 87.7 | 11% | 0.11 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -86.9 | -14.2 | -179.1 | -70.1 | -85.6 | 0 | 0 | 0 | 114.4 | V16 G20 A24 M25 L28 E29 W32 | V16-F22 HydrophobicContact CG1-CE2 4.14Å; G20-F22 PolarHBondContact O-N 3Å; F22-A24 PolarHBondContact O-N 3.09Å; F22-M25 PolarHBondContact O-N 3.31Å; F22-L28 HydrophobicContact CD1-CB 3.89Å; F22-L28 HydrophobicContact CD1-CD2 4.47Å; F22-L28 HydrophobicContact CE1-CB 3.93Å; F22-L28 HydrophobicContact CE1-CD2 4.02Å; F22-L28 HydrophobicContact CE1-CG 4.44Å; F22-E29 VanDerWaalsContact CB-OE2 3.3Å; F22-E29 WeakPolarHBondContact CB-OE2 3.41Å; F22-E29 HydrophobicContact CD1-CB 4.36Å; F22-E29 WeakPolarHBondContact CG-OE2 3.29Å; F22-W32 HydrophobicContact CE1-CB 3.98Å; F22-W32 HydrophobicContact CE1-CG 4.34Å; F22-W32 HydrophobicContact CZ-CB 4.24Å; F22-W32 HydrophobicContact CZ-CD2 4.11Å; F22-W32 HydrophobicContact CZ-CE3 4.24Å; F22-W32 HydrophobicContact CZ-CG 4.14Å |
| 23 | S | 47.5 | Very low | 50.5 | Low | 113 Ų | 113 | 85.9 Ų | 85.9 | 79% | 0.79 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -60.9 | -18.3 | 177.4 | 168.3 | 0 | 0 | 0 | 0 | 113.5 | G20 | G20-S23 WeakPolarHBondContact O-CB 3.37Å; G20-S23 PolarHBondContact O-N 3.23Å |
| 24 | A | 47.2 | Very low | 51 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -97.1 | -9.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F22 | F22-A24 PolarHBondContact O-N 3.09Š|
| 25 | M | 38.3 | Very low | 51.3 | Low | 83 Ų | 83 | 89.3 Ų | 89.3 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | trans | -149.7 | 91.1 | -174.1 | -68.7 | -164.2 | -75.7 | 0 | 0 | 112.2 | F22 S27 L28 | F22-M25 PolarHBondContact O-N 3.31Å; M25-S27 PolarHBondContact O-N 3.28Å; M25-L28 HydrophobicContact CB-CB 4.15Å; M25-L28 HydrophobicContact CB-CD1 4.37Å; M25-L28 HydrophobicContact CE-CD1 3.98Å; M25-L28 HydrophobicContact CE-CD2 4.24Å; M25-L28 WeakPolarHBondContact O-CB 3.36Å; M25-L28 PolarHBondContact O-N 3.5Å; M25-L28 HydrophobicContact SD-CD1 4.18Å | ||
| 26 | P | 49.3 | Very low | 51.9 | Low | 106 Ų | 106 | 84.7 Ų | 84.7 | 69% | 0.688 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -29.2 | -178.2 | -22.9 | 32.6 | 0 | 0 | 0 | 114.4 | L28 E29 E30 | P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.26Å; P26-E29 PolarHBondContact O-N 3.29Å; P26-E30 PolarHBondContact O-N 2.87Å |
| 27 | S | 49.2 | Very low | 52.6 | Low | 82 Ų | 82 | 86.5 Ų | 86.5 | 57% | 0.573 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.5 | -21.9 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | M25 N31 | M25-S27 PolarHBondContact O-N 3.28Å; S27-N31 PolarHBondContact O-N 3.37Å |
| 28 | L | 45.4 | Very low | 53.1 | Low | 63 Ų | 63 | 89.2 Ų | 89.2 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79.3 | -29.2 | 175.3 | -116.9 | 89.9 | 0 | 0 | 0 | 111.8 | F22 M25 P26 W32 | F22-L28 HydrophobicContact CD1-CB 3.89Å; F22-L28 HydrophobicContact CD1-CD2 4.47Å; F22-L28 HydrophobicContact CE1-CB 3.93Å; F22-L28 HydrophobicContact CE1-CD2 4.02Å; F22-L28 HydrophobicContact CE1-CG 4.44Å; M25-L28 HydrophobicContact CB-CB 4.15Å; M25-L28 HydrophobicContact CB-CD1 4.37Å; M25-L28 HydrophobicContact CE-CD1 3.98Å; M25-L28 HydrophobicContact CE-CD2 4.24Å; M25-L28 WeakPolarHBondContact O-CB 3.36Å; M25-L28 PolarHBondContact O-N 3.5Å; M25-L28 HydrophobicContact SD-CD1 4.18Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.26Å; L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 2.87Å |
| 29 | E | 50.3 | Low | 53.2 | Low | 36 Ų | 36 | 88.2 Ų | 88.2 | 17% | 0.168 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 179.8 | -175.5 | 59.3 | -143.1 | 0 | 0 | 111.6 | F22 P26 W32 Q33 | F22-E29 VanDerWaalsContact CB-OE2 3.3Å; F22-E29 WeakPolarHBondContact CB-OE2 3.41Å; F22-E29 HydrophobicContact CD1-CB 4.36Å; F22-E29 WeakPolarHBondContact CG-OE2 3.29Å; P26-E29 PolarHBondContact O-N 3.29Å; E29-W32 WeakPolarHBondContact O-CB 3.42Å; E29-W32 PolarHBondContact O-N 3.22Å; E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.31Å; E29-Q33 PolarHBondContact OE1-NE2 3.35Å |
| 30 | E | 54.5 | Low | 53.6 | Low | 146 Ų | 146 | 84.4 Ų | 84.4 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 173.3 | -76.1 | 177.5 | 166.5 | 0 | 0 | 111.5 | P26 W32 Q33 Q34 | P26-E30 PolarHBondContact O-N 2.87Å; E30-W32 VanDerWaalsContact C-N 3.27Å; E30-W32 PolarHBondContact O-N 3.23Å; E30-Q33 PolarHBondContact O-N 2.89Å; E30-Q34 VanDerWaalsContact O-CB 3.3Å; E30-Q34 WeakPolarHBondContact O-CB 3.31Å; E30-Q34 PolarHBondContact O-N 2.94Å |
| 31 | N | 54.8 | Low | 54.3 | Low | 113 Ų | 113 | 91.3 Ų | 91.3 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.4 | -37 | 174 | -114.9 | 19 | 0 | 0 | 0 | 111.8 | S27 T35 | S27-N31 PolarHBondContact O-N 3.37Å; N31-T35 VanDerWaalsContact O-CB 3.31Å; N31-T35 WeakPolarHBondContact O-CB 3.42Å; N31-T35 PolarHBondContact O-N 3.29Å; N31-T35 PolarHBondContact O-OG1 3.44Å |
| 32 | W | 54.5 | Low | 54.8 | Low | 64 Ų | 64 | 89 Ų | 89 | 24% | 0.242 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 177.7 | 175.3 | -110.7 | 0 | 0 | 0 | 112.4 | L13 F22 L28 E29 E30 Q34 T35 C36 | L13-W32 HydrophobicContact CB-CZ2 4.17Å; L13-W32 HydrophobicContact CD2-CH2 3.14Å; L13-W32 HydrophobicContact CD2-CZ2 3.24Å; L13-W32 HydrophobicContact CD2-CZ3 4.25Å; L13-W32 HydrophobicContact CG-CH2 4.49Å; L13-W32 HydrophobicContact CG-CZ2 4.27Å; F22-W32 HydrophobicContact CE1-CB 3.98Å; F22-W32 HydrophobicContact CE1-CG 4.34Å; F22-W32 HydrophobicContact CZ-CB 4.24Å; F22-W32 HydrophobicContact CZ-CD2 4.11Å; F22-W32 HydrophobicContact CZ-CE3 4.24Å; F22-W32 HydrophobicContact CZ-CG 4.14Å; L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 2.87Å; E29-W32 WeakPolarHBondContact O-CB 3.42Å; E29-W32 PolarHBondContact O-N 3.22Å; E30-W32 VanDerWaalsContact C-N 3.27Å; E30-W32 PolarHBondContact O-N 3.23Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 3.3Å; W32-T35 PolarHBondContact O-N 3.24Å; W32-C36 PolarHBondContact O-N 3.17Å; W32-C36 PolarHBondContact O-SG 3.14Å |
| 33 | Q | 62 | Low | 55.1 | Low | 100 Ų | 100 | 89 Ų | 89 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 178.4 | -69.3 | 175.5 | 6.4 | 0 | 0 | 111.1 | E29 E30 C36 L37 | E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.31Å; E29-Q33 PolarHBondContact OE1-NE2 3.35Å; E30-Q33 PolarHBondContact O-N 2.89Å; Q33-C36 PolarHBondContact O-N 2.81Å; Q33-L37 WeakPolarHBondContact O-CG 3.48Å; Q33-L37 PolarHBondContact O-N 3.1Å |
| 34 | Q | 59.9 | Low | 55.7 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 58% | 0.575 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 175.6 | -157.3 | 72.9 | -11.3 | 0 | 0 | 112.1 | E30 W32 C36 L37 E38 | E30-Q34 VanDerWaalsContact O-CB 3.3Å; E30-Q34 WeakPolarHBondContact O-CB 3.31Å; E30-Q34 PolarHBondContact O-N 2.94Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 3.3Å; Q34-C36 VanDerWaalsContact C-N 3.31Å; Q34-C36 PolarHBondContact O-N 3.44Å; Q34-L37 PolarHBondContact O-N 3.29Å; Q34-E38 WeakPolarHBondContact O-CB 3.41Å; Q34-E38 PolarHBondContact O-N 3.13Å |
| 35 | T | 58.6 | Low | 56.1 | Low | 68 Ų | 68 | 90.2 Ų | 90.2 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | N31 W32 E38 L39 | N31-T35 VanDerWaalsContact O-CB 3.31Å; N31-T35 WeakPolarHBondContact O-CB 3.42Å; N31-T35 PolarHBondContact O-N 3.29Å; N31-T35 PolarHBondContact O-OG1 3.44Å; W32-T35 PolarHBondContact O-N 3.24Å; T35-E38 PolarHBondContact O-N 2.92Å; T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 WeakPolarHBondContact O-CD1 3.17Å; T35-L39 WeakPolarHBondContact O-CG 3.44Å; T35-L39 PolarHBondContact O-N 3.41Å |
| 36 | C | 61.4 | Low | 56.7 | Low | 11 Ų | 11 | 90.9 Ų | 90.9 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.8 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | W32 Q33 Q34 E38 L39 E40 | W32-C36 PolarHBondContact O-N 3.17Å; W32-C36 PolarHBondContact O-SG 3.14Å; Q33-C36 PolarHBondContact O-N 2.81Å; Q34-C36 VanDerWaalsContact C-N 3.31Å; Q34-C36 PolarHBondContact O-N 3.44Å; C36-E38 VanDerWaalsContact C-N 3.35Å; C36-L39 PolarHBondContact O-N 2.86Å; C36-E40 WeakPolarHBondContact O-CG 3.49Å; C36-E40 PolarHBondContact O-N 3.22Å |
| 37 | L | 65.9 | Low | 56.7 | Low | 104 Ų | 104 | 90.2 Ų | 90.2 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 176.3 | -76.1 | 166.4 | 0 | 0 | 0 | 112.3 | Q33 Q34 E40 R41 | Q33-L37 WeakPolarHBondContact O-CG 3.48Å; Q33-L37 PolarHBondContact O-N 3.1Å; Q34-L37 PolarHBondContact O-N 3.29Å; L37-E40 PolarHBondContact O-N 2.87Å; L37-R41 WeakPolarHBondContact O-CB 3.49Å; L37-R41 PolarHBondContact O-N 2.8Å |
| 38 | E | 64.2 | Low | 56.4 | Low | 140 Ų | 140 | 94.4 Ų | 94.4 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 177.5 | -163.7 | 162.8 | -159.9 | 0 | 0 | 111.8 | Q34 T35 C36 R41 Y42 | Q34-E38 WeakPolarHBondContact O-CB 3.41Å; Q34-E38 PolarHBondContact O-N 3.13Å; T35-E38 PolarHBondContact O-N 2.92Å; C36-E38 VanDerWaalsContact C-N 3.35Å; E38-R41 PolarHBondContact O-N 3.19Å; E38-Y42 WeakPolarHBondContact O-CB 3.1Å; E38-Y42 PolarHBondContact O-N 3.22Å |
| 39 | L | 54.5 | Low | 56.2 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 169.5 | -84.5 | 160.1 | 0 | 0 | 0 | 111.8 | T35 C36 R41 Y42 L43 | T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 WeakPolarHBondContact O-CD1 3.17Å; T35-L39 WeakPolarHBondContact O-CG 3.44Å; T35-L39 PolarHBondContact O-N 3.41Å; C36-L39 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.95Å; L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.23Å |
| 40 | E | 64.4 | Low | 55.7 | Low | 19 Ų | 19 | 96.8 Ų | 96.8 | 9% | 0.089 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178 | -75.8 | -166.1 | 152 | 0 | 0 | 112.1 | M1 L4 C36 L37 L43 Q44 | M1-E40 WeakPolarHBondContact CA-OE1 3.4Å; M1-E40 PolarHBondContact N-OE1 3.38Å; M1-E40 PolarHBondContact N-OE2 3.08Å; L4-E40 HydrophobicContact CD1-CG 3.66Å; L4-E40 VanDerWaalsContact CD1-OE1 3.3Å; L4-E40 WeakPolarHBondContact CD1-OE1 3.44Å; L4-E40 HydrophobicContact CD2-CG 4.44Å; L4-E40 HydrophobicContact CG-CG 3.76Å; L4-E40 WeakPolarHBondContact CG-OE1 3.48Å; C36-E40 WeakPolarHBondContact O-CG 3.49Å; C36-E40 PolarHBondContact O-N 3.22Å; L37-E40 PolarHBondContact O-N 2.87Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-Q44 VanDerWaalsContact O-CG 3.25Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.47Å |
| 41 | R | 65.9 | Low | 54.9 | Low | 189 Ų | 189 | 93.3 Ų | 93.3 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 175.8 | -175.9 | 176.6 | 167.8 | 163 | -3.2 | 111.7 | L37 E38 L39 Q44 T45 | L37-R41 WeakPolarHBondContact O-CB 3.49Å; L37-R41 PolarHBondContact O-N 2.8Å; E38-R41 PolarHBondContact O-N 3.19Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.95Å; R41-Q44 PolarHBondContact O-N 3.41Å; R41-T45 PolarHBondContact O-N 2.92Å; R41-T45 PolarHBondContact O-OG1 3.43Å |
| 42 | Y | 56.2 | Low | 54.1 | Low | 112 Ų | 112 | 93.5 Ų | 93.5 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.4 | -173.7 | -100.4 | 0 | 0 | 0 | 112.1 | E38 L39 Q44 T45 E46 R49 | E38-Y42 WeakPolarHBondContact O-CB 3.1Å; E38-Y42 PolarHBondContact O-N 3.22Å; L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.24Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.37Å; Y42-T45 PolarHBondContact O-N 3.43Å; Y42-T45 PolarHBondContact O-OG1 3.36Å; Y42-E46 PolarHBondContact O-N 2.87Å; Y42-R49 PolarHBondContact OH-NH1 3.45Å |
| 43 | L | 53 | Low | 53.4 | Low | 26 Ų | 26 | 94.6 Ų | 94.6 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.7 | -29.9 | 178.8 | -66.6 | 179.8 | 0 | 0 | 0 | 113.1 | L4 L39 E40 L50 | L4-L43 HydrophobicContact CD2-CD1 4.12Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.23Å; E40-L43 PolarHBondContact O-N 2.98Å; L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD1-CD1 4.03Å; L43-L50 HydrophobicContact CD2-CD1 3.3Å; L43-L50 HydrophobicContact CD2-CD2 4.09Å; L43-L50 HydrophobicContact CD2-CG 3.6Å; L43-L50 HydrophobicContact CG-CD1 3.99Å |
| 44 | Q | 59.7 | Low | 52.2 | Low | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.4 | -29.6 | 174.2 | -73.2 | 169.5 | 24 | 0 | 0 | 112.8 | E40 R41 Y42 | E40-Q44 VanDerWaalsContact O-CG 3.25Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-N 3.41Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.37Å |
| 45 | T | 55.6 | Low | 51.1 | Low | 98 Ų | 98 | 95.9 Ų | 95.9 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -80.9 | -25.1 | -179.8 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | R41 Y42 | R41-T45 PolarHBondContact O-N 2.92Å; R41-T45 PolarHBondContact O-OG1 3.43Å; Y42-T45 PolarHBondContact O-N 3.43Å; Y42-T45 PolarHBondContact O-OG1 3.36Å |
| 46 | E | 50.7 | Low | 50.1 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | trans | -137.1 | 73.7 | 178.7 | -67.6 | -153.1 | 171.3 | 0 | 0 | 113.7 | Y42 K48 R49 | Y42-E46 PolarHBondContact O-N 2.87Å; E46-K48 PolarHBondContact O-N 3.32Å; E46-K48 VanDerWaalsContact O-N 3.12Å; E46-R49 HydrophobicContact CB-CB 4.49Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-R49 VanDerWaalsContact OE2-CD 3.26Å; E46-R49 WeakPolarHBondContact OE2-CD 3.49Å; E46-R49 IonicContact OE2-NE 3.66Å | ||
| 47 | P | 49 | Very low | 49.1 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -18.8 | -176.6 | 24.9 | -33.8 | 0 | 0 | 0 | 114.1 | ||
| 48 | K | 43.4 | Very low | 48.1 | Very low | 170 Ų | 170 | 100.3 Ų | 100.3 | 74% | 0.739 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -80.7 | -17.8 | -179 | -66.6 | -177.2 | 179.4 | 178.8 | 0 | 113.9 | E46 S51 | E46-K48 PolarHBondContact O-N 3.32Å; E46-K48 VanDerWaalsContact O-N 3.12Å; K48-S51 PolarHBondContact O-OG 3.04Å |
| 49 | R | 42.2 | Very low | 47 | Very low | 128 Ų | 128 | 94.1 Ų | 94.1 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -75.5 | -31.2 | 179 | -104.5 | -168.3 | 170.6 | -169.6 | -4 | 113.2 | Y42 E46 E52 L53 | Y42-R49 PolarHBondContact OH-NH1 3.45Å; E46-R49 HydrophobicContact CB-CB 4.49Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-R49 VanDerWaalsContact OE2-CD 3.26Å; E46-R49 WeakPolarHBondContact OE2-CD 3.49Å; E46-R49 IonicContact OE2-NE 3.66Å; R49-E52 PolarHBondContact O-N 3.26Å; R49-L53 HydrophobicContact CB-CD1 4.42Å; R49-L53 WeakPolarHBondContact O-CB 3.41Å; R49-L53 WeakPolarHBondContact O-CD1 3.43Å; R49-L53 PolarHBondContact O-N 2.91Å |
| 50 | L | 39.8 | Very low | 46.3 | Very low | 21 Ų | 21 | 91.8 Ų | 91.8 | 11% | 0.11 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.3 | -44.1 | -177.4 | -96.5 | 163.1 | 0 | 0 | 0 | 112.9 | L43 E52 L53 F54 | L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD1-CD1 4.03Å; L43-L50 HydrophobicContact CD2-CD1 3.3Å; L43-L50 HydrophobicContact CD2-CD2 4.09Å; L43-L50 HydrophobicContact CD2-CG 3.6Å; L43-L50 HydrophobicContact CG-CD1 3.99Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 2.52Å; L50-L53 PolarHBondContact O-N 3.37Å; L50-F54 HydrophobicContact CD2-CD2 4.2Å; L50-F54 HydrophobicContact CD2-CE2 3.65Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3Å |
| 51 | S | 38.2 | Very low | 44.9 | Very low | 72 Ų | 72 | 97 Ų | 97 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.3 | 48 | 0 | 0 | 0 | 0 | 111.8 | K48 F54 D55 | K48-S51 PolarHBondContact O-OG 3.04Å; S51-F54 PolarHBondContact O-N 3.16Å; S51-D55 PolarHBondContact O-N 2.03Å |
| 52 | E | 36.3 | Very low | 43.3 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.2 | -30.5 | 174.4 | -70.7 | -179.1 | 166.2 | 0 | 0 | 112.6 | R49 L50 Q56 | R49-E52 PolarHBondContact O-N 3.26Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 2.52Å; E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 2.7Å |
| 53 | L | 40.7 | Very low | 42.2 | Very low | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.5 | -29.1 | 172.9 | -104.4 | 128 | 0 | 0 | 0 | 113.3 | R49 L50 | R49-L53 HydrophobicContact CB-CD1 4.42Å; R49-L53 WeakPolarHBondContact O-CB 3.41Å; R49-L53 WeakPolarHBondContact O-CD1 3.43Å; R49-L53 PolarHBondContact O-N 2.91Å; L50-L53 PolarHBondContact O-N 3.37Å |
| 54 | F | 36.3 | Very low | 41.2 | Very low | 130 Ų | 130 | 95.9 Ų | 95.9 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -84.1 | -23.8 | 177.4 | -82.7 | -67.8 | 0 | 0 | 0 | 113.8 | L50 S51 | L50-F54 HydrophobicContact CD2-CD2 4.2Å; L50-F54 HydrophobicContact CD2-CE2 3.65Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3Å; S51-F54 PolarHBondContact O-N 3.16Å |
| 55 | D | 36.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 95.1 Ų | 95.1 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -92.3 | -15.7 | 173 | -83.5 | -45.5 | 0 | 0 | 0 | 113.3 | S51 D57 | S51-D55 PolarHBondContact O-N 2.03Å; D55-D57 PolarHBondContact O-N 2.85Å |
| 56 | Q | 39 | Very low | 38.9 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -77.2 | 109.6 | 167.9 | -76.5 | 174.4 | 33.8 | 0 | 0 | 109.7 | E52 L58 | E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 2.7Å; Q56-L58 PolarHBondContact O-N 3.43Å |
| 57 | D | 39.9 | Very low | 38.1 | Very low | 53 Ų | 53 | 98.4 Ų | 98.4 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | trans | -40.2 | 111.5 | 165.2 | -93.1 | -59.7 | 0 | 0 | 0 | 109.5 | D55 D59 K268 H284 | D55-D57 PolarHBondContact O-N 2.85Å; D57-D59 HydrophobicContact CB-CB 4.37Å; D57-D59 PolarHBondContact O-N 2.68Å; D57-K268 WeakPolarHBondContact OD2-CE 3.4Å; D57-K268 IonicContact OD2-NZ 3.4Å; D57-K268 PolarHBondContact OD2-NZ 3.32Å; D57-H284 IonicContact OD1-ND1 2.98Å | ||
| 58 | L | 44.5 | Very low | 37.4 | Very low | 91 Ų | 91 | 103 Ų | 103 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -63.3 | 23.7 | 172.9 | -66.4 | 171.5 | 0 | 0 | 0 | 113 | Q56 G60 L61 | Q56-L58 PolarHBondContact O-N 3.43Å; L58-G60 PolarHBondContact O-N 3.3Å; L58-L61 HydrophobicContact CD2-CB 4.38Å; L58-L61 HydrophobicContact CD2-CD1 3.73Å; L58-L61 HydrophobicContact CD2-CG 4.4Å; L58-L61 PolarHBondContact O-N 3.35Å |
| 59 | D | 39.9 | Very low | 36.9 | Very low | 11 Ų | 11 | 102.2 Ų | 102.2 | 6% | 0.059 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -67.1 | -9.2 | 171.8 | -82.7 | -33.8 | 0 | 0 | 0 | 113.4 | D57 K263 S280 R281 H284 | D57-D59 HydrophobicContact CB-CB 4.37Å; D57-D59 PolarHBondContact O-N 2.68Å; D59-K263 WeakPolarHBondContact O-CE 3.41Å; D59-K263 PolarHBondContact O-NZ 3.34Å; D59-S280 WeakPolarHBondContact OD2-CB 3.39Å; D59-S280 PolarHBondContact OD2-OG 3.24Å; D59-R281 WeakPolarHBondContact OD1-CD 3.42Å; D59-R281 IonicContact OD1-CZ 3.63Å; D59-R281 IonicContact OD1-NE 2.84Å; D59-R281 IonicContact OD1-NH1 2.68Å; D59-R281 PolarHBondContact OD1-NH1 2.86Å; D59-H284 IonicContact OD1-CE1 3.44Å; D59-H284 PolarHBondContact OD1-CE1 3.47Å; D59-H284 IonicContact OD1-ND1 3.14Å; D59-H284 IonicContact OD1-NE2 3.55Å |
| 60 | G | 40.1 | Very low | 36.5 | Very low | 37 Ų | 37 | 103.7 Ų | 103.7 | 38% | 0.381 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -92.6 | -24.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L58 T63 | L58-G60 PolarHBondContact O-N 3.3Å; G60-T63 PolarHBondContact O-OG1 3.29Å |
| 61 | L | 36 | Very low | 36.1 | Very low | 129 Ų | 129 | 105.1 Ų | 105.1 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -8.8 | -167.9 | -62.8 | -178.1 | 0 | 0 | 0 | 114.1 | L58 | L58-L61 HydrophobicContact CD2-CB 4.38Å; L58-L61 HydrophobicContact CD2-CD1 3.73Å; L58-L61 HydrophobicContact CD2-CG 4.4Å; L58-L61 PolarHBondContact O-N 3.35Å |
| 62 | L | 32.5 | Very low | 36.3 | Very low | 131 Ų | 131 | 111.6 Ų | 111.6 | 69% | 0.686 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -105 | 12.8 | 174.3 | -73.7 | 169.1 | 0 | 0 | 0 | 114.3 | ||
| 63 | T | 32.5 | Very low | 36.3 | Very low | 59 Ų | 59 | 113.4 Ų | 113.4 | 36% | 0.362 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -83.7 | 123 | 156.5 | 33.4 | 0 | 0 | 0 | 0 | 107.5 | G60 A65 | G60-T63 PolarHBondContact O-OG1 3.29Å; T63-A65 PolarHBondContact O-N 3.33Å |
| 64 | P | 33 | Very low | 36 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | trans | -49.7 | 130.6 | 173 | -22.2 | 31.2 | 0 | 0 | 0 | 108.8 | Y66 | P64-Y66 PolarHBondContact O-N 3.13Š| ||
| 65 | A | 30 | Very low | 35.9 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 88% | 0.884 | 63% | 0.634 | S | S | * | * | trans | -49.4 | 104.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | T63 | T63-A65 PolarHBondContact O-N 3.33Š| ||
| 66 | Y | 37.1 | Very low | 35.8 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 55% | 0.549 | 64% | 0.639 | S | S | . | * | trans | -100.4 | 117 | 168.2 | -133.3 | -85.4 | 0 | 0 | 0 | 105.1 | P64 K68 T233 | P64-Y66 PolarHBondContact O-N 3.13Å; Y66-K68 PolarHBondContact O-N 3.16Å; Y66-T233 PolarHBondContact OH-O 3.44Å | ||
| 67 | L | 32.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | trans | -38.6 | 131.1 | -175.8 | -67.4 | 157 | 0 | 0 | 0 | 111.5 | E69 | L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 HydrophobicContact CB-CG 3.72Å; L67-E69 PolarHBondContact O-N 3.33Å; L67-E69 VanDerWaalsContact O-N 3.17Å | ||
| 68 | K | 34.7 | Very low | 35.4 | Very low | 188 Ų | 188 | 121.8 Ų | 121.8 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | trans | -62.4 | 104.6 | 146.1 | -91.5 | -178 | 170 | -174.5 | 0 | 104.7 | Y66 | Y66-K68 PolarHBondContact O-N 3.16Š| ||
| 69 | E | 32.3 | Very low | 35.2 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | trans | -101.4 | 103.1 | 162.3 | -66.8 | -172.3 | 146.5 | 0 | 0 | 105.4 | L67 G71 | L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 HydrophobicContact CB-CG 3.72Å; L67-E69 PolarHBondContact O-N 3.33Å; L67-E69 VanDerWaalsContact O-N 3.17Å; E69-G71 PolarHBondContact O-N 3.46Å | ||
| 70 | D | 34.1 | Very low | 35 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | -70.3 | 98.5 | 162.6 | -50.2 | -47.8 | 0 | 0 | 0 | 105.1 | ||||
| 71 | G | 31.7 | Very low | 34.9 | Very low | 52 Ų | 52 | 135.8 Ų | 135.8 | 54% | 0.536 | 74% | 0.743 | S | S | . | * | trans | -154.3 | 94.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E69 E73 | E69-G71 PolarHBondContact O-N 3.46Å; G71-E73 PolarHBondContact O-N 2.74Å | ||
| 72 | E | 42.4 | Very low | 35.4 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 97% | 0.967 | 75% | 0.748 | S | S | * | * | trans | -62.9 | 111.6 | 160.4 | -71.5 | 179.4 | 133.2 | 0 | 0 | 107.8 | ||||
| 73 | E | 35.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -133.7 | 108.8 | 164.1 | 40.2 | -166.6 | 140.5 | 0 | 0 | 110.2 | G71 L75 | G71-E73 PolarHBondContact O-N 2.74Å; E73-L75 PolarHBondContact O-N 2.78Å; E73-L75 VanDerWaalsContact O-N 3.15Å | ||
| 74 | D | 34.6 | Very low | 37 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -52 | 105.5 | 164.9 | -114.8 | -27.8 | 0 | 0 | 0 | 109.3 | ||||
| 75 | L | 34.6 | Very low | 37.6 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -122.5 | 99.8 | 165 | -81.5 | 170.8 | 0 | 0 | 0 | 108.8 | E73 E77 | E73-L75 PolarHBondContact O-N 2.78Å; E73-L75 VanDerWaalsContact O-N 3.15Å; L75-E77 PolarHBondContact O-N 2.97Å | ||
| 76 | S | 33.8 | Very low | 38.6 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -33.6 | 120.6 | 166.3 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | A78 | S76-A78 PolarHBondContact O-N 3.26Š| ||
| 77 | E | 40.1 | Very low | 39.2 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -0.7 | 85.6 | 148.6 | -142.9 | 153.1 | 147 | 0 | 0 | 116.4 | L75 | L75-E77 PolarHBondContact O-N 2.97Š| ||
| 78 | A | 31.9 | Very low | 39.9 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -99.2 | 101.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S76 L80 | S76-A78 PolarHBondContact O-N 3.26Å; A78-L80 PolarHBondContact O-N 2.97Å | ||
| 79 | L | 39.4 | Very low | 40.7 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -55.5 | 104.5 | 176.3 | -150 | 78.6 | 0 | 0 | 0 | 110 | ||||
| 80 | L | 35 | Very low | 41.5 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | -111.6 | 138.7 | 169.9 | -84.3 | 172.9 | 0 | 0 | 0 | 111.1 | A78 | A78-L80 PolarHBondContact O-N 2.97Š| ||
| 81 | P | 39.6 | Very low | 42.2 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -79.7 | 132.9 | -172.7 | 31.7 | -32.3 | 0 | 0 | 0 | 111.8 | ||
| 82 | G | 45.4 | Very low | 43.1 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | 72.1 | 80.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 83 | L | 46.8 | Very low | 43.6 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134 | 161.4 | -90.4 | 103.1 | 0 | 0 | 0 | 109.8 | E85 | L83-E85 PolarHBondContact O-N 3.35Š|
| 84 | P | 51.5 | Low | 44.4 | Very low | 75 Ų | 75 | 114 Ų | 114 | 49% | 0.487 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 130.7 | 171.5 | 27.3 | -31.6 | 0 | 0 | 0 | 109.6 | Y240 | P84-Y240 HydrophobicContact CG-CE1 3.93Š|
| 85 | E | 46.7 | Very low | 45.2 | Very low | 180 Ų | 180 | 107.8 Ų | 107.8 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 140.9 | 176.1 | -66.9 | -161.1 | 158.9 | 0 | 0 | 111 | L83 | L83-E85 PolarHBondContact O-N 3.35Š|
| 86 | P | 50.2 | Low | 45.8 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 60% | 0.597 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 140.8 | 178.7 | 25.1 | -33.1 | 0 | 0 | 0 | 109.9 | S88 | P86-S88 PolarHBondContact O-N 2.93Š|
| 87 | P | 49.8 | Very low | 46 | Very low | 58 Ų | 58 | 110 Ų | 110 | 38% | 0.377 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -60 | 130.6 | 176.9 | 25.3 | -32.4 | 0 | 0 | 0 | 109.5 | ||
| 88 | S | 48.3 | Very low | 46 | Very low | 102 Ų | 102 | 112.1 Ų | 112.1 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 136.3 | 172.3 | 55.8 | 0 | 0 | 0 | 0 | 110 | P86 | P86-S88 PolarHBondContact O-N 2.93Š|
| 89 | P | 50.8 | Low | 46.1 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.3 | -178.3 | 23 | -32.8 | 0 | 0 | 0 | 109.9 | Y261 | P89-Y261 HydrophobicContact CB-CE1 3.99Š|
| 90 | P | 48.3 | Very low | 45.6 | Very low | 38 Ų | 38 | 115.4 Ų | 115.4 | 25% | 0.247 | 66% | 0.655 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 146.4 | 179.4 | 26.5 | -33.2 | 0 | 0 | 0 | 110 | V92 | P90-V92 PolarHBondContact O-N 3.37Š|
| 91 | P | 48.8 | Very low | 45.6 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 130.6 | 176 | 22.1 | -31.7 | 0 | 0 | 0 | 110.2 | T93 | P91-T93 PolarHBondContact O-N 3.08Å; P91-T93 VanDerWaalsContact O-N 3.15Å |
| 92 | V | 52.4 | Low | 45.2 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | trans | -73.2 | 108.1 | -178 | -161.9 | 0 | 0 | 0 | 0 | 108.2 | P90 L94 | P90-V92 PolarHBondContact O-N 3.37Å; V92-L94 HydrophobicContact CG1-CD2 4.05Å; V92-L94 HydrophobicContact CG1-CG 3.8Å; V92-L94 PolarHBondContact O-N 2.75Å | ||
| 93 | T | 51.7 | Low | 44.6 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 45% | 0.454 | 65% | 0.652 | S | S | . | * | trans | -88.6 | 95.1 | 162.3 | -47.7 | 0 | 0 | 0 | 0 | 106.7 | P91 C95 | P91-T93 PolarHBondContact O-N 3.08Å; P91-T93 VanDerWaalsContact O-N 3.15Å; T93-C95 PolarHBondContact O-N 3.12Å | ||
| 94 | L | 52.1 | Low | 43.8 | Very low | 144 Ų | 144 | 116.3 Ų | 116.3 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | trans | -73.3 | 106.8 | 171.3 | -73.8 | 163.9 | 0 | 0 | 0 | 107.5 | V92 | V92-L94 HydrophobicContact CG1-CD2 4.05Å; V92-L94 HydrophobicContact CG1-CG 3.8Å; V92-L94 PolarHBondContact O-N 2.75Å | ||
| 95 | C | 51.4 | Low | 43.1 | Very low | 40 Ų | 40 | 121 Ų | 121 | 27% | 0.27 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 137.2 | 166.8 | -72.8 | 0 | 0 | 0 | 0 | 109.1 | T93 M97 C278 | T93-C95 PolarHBondContact O-N 3.12Å; C95-M97 PolarHBondContact O-N 2.87Å; C95-M97 VanDerWaalsContact O-N 3.16Å; C95-C278 HydrophobicContact CB-CB 3.86Å; C95-C278 WeakPolarHBondContact CB-SG 2.92Å; C95-C278 WeakPolarHBondContact SG-CB 3.37Å; C95-C278 CovalentContact SG-SG 2.03Å; C95-C278 PolarHBondContact SG-SG 2.79Å |
| 96 | P | 47.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.9 | -177.9 | 20.8 | -28.9 | 0 | 0 | 0 | 110.7 | R98 | P96-R98 PolarHBondContact O-N 2.92Š|
| 97 | M | 38.9 | Very low | 41.7 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.1 | 164.8 | -95.6 | -99.3 | 174.9 | 0 | 0 | 108.6 | C95 Q99 | C95-M97 PolarHBondContact O-N 2.87Å; C95-M97 VanDerWaalsContact O-N 3.16Å; M97-Q99 PolarHBondContact O-N 2.98Å |
| 98 | R | 38.9 | Very low | 40.9 | Very low | 230 Ų | 230 | 129.5 Ų | 129.5 | 87% | 0.868 | 70% | 0.699 | S | S | * | * | trans | -61.1 | 108.4 | 165.4 | -99.8 | -172.3 | 168 | -142.9 | -1.6 | 107.7 | P96 N100 | P96-R98 PolarHBondContact O-N 2.92Å; R98-N100 PolarHBondContact O-N 2.91Å; R98-N100 VanDerWaalsContact O-N 3.15Å | ||
| 99 | Q | 34.5 | Very low | 40.2 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -64.1 | 113.8 | 159.8 | -68.1 | -177.6 | -6.1 | 0 | 0 | 106.5 | M97 L101 | M97-Q99 PolarHBondContact O-N 2.98Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.15Å | ||
| 100 | N | 29.8 | Very low | 39.2 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -66.4 | 93.1 | 169.5 | -123.7 | -37.3 | 0 | 0 | 0 | 106.5 | R98 T102 | R98-N100 PolarHBondContact O-N 2.91Å; R98-N100 VanDerWaalsContact O-N 3.15Å; N100-T102 PolarHBondContact O-N 2.88Å | ||
| 101 | L | 34.3 | Very low | 38.2 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 87.9 | 163.3 | -76.8 | 165.2 | 0 | 0 | 0 | 106.2 | Q99 S103 | Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.15Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 3.47Å | ||
| 102 | T | 30.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -61.3 | 105.3 | 161.6 | 42.3 | 0 | 0 | 0 | 0 | 106.6 | N100 T104 | N100-T102 PolarHBondContact O-N 2.88Å; T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 3.06Å | ||
| 103 | S | 32.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -54.6 | 98.2 | 168.9 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L101 K105 | L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 3.47Å; S103-K105 PolarHBondContact O-N 2.84Å | ||
| 104 | T | 31.3 | Very low | 35.4 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -82.1 | 96.6 | 165 | 35.4 | 0 | 0 | 0 | 0 | 106.7 | T102 | T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 3.06Å | ||
| 105 | K | 36.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -56.1 | 139.5 | 160.7 | -93.7 | -177.6 | 177.9 | -179.6 | 0 | 110.3 | S103 | S103-K105 PolarHBondContact O-N 2.84Š| ||
| 106 | D | 35.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 60 | 95.1 | 146 | -64.5 | -64.6 | 0 | 0 | 0 | 118.1 | ||||
| 107 | L | 30.7 | Very low | 31.9 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 103 | 138.4 | -90.6 | 173.4 | 0 | 0 | 0 | 108.8 | ||||
| 108 | K | 32.9 | Very low | 31.4 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 153.1 | 161.7 | -62.6 | 176.4 | 83.9 | 172.5 | 0 | 108.6 | ||||
| 109 | P | 34.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -139.2 | 158.6 | 109.2 | 29.7 | -12.7 | 0 | 0 | 0 | 115.8 | |||||
| 110 | K | 28.7 | Very low | 30.6 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -16 | 128.7 | 169 | -76.1 | 168.7 | 167 | 176.4 | 0 | 119 | ||||
| 111 | G | 27.8 | Very low | 30.5 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | 89.9 | 114 | 95.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 112 | Q | 27.3 | Very low | 30.2 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | 154.3 | 121.7 | 130.9 | -88.1 | 166 | -10.2 | 0 | 0 | 109.8 | ||||
| 113 | G | 24.4 | Very low | 30 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -81.1 | -162.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | P | 41.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | cis | -135.7 | -166.6 | 5.6 | 30.6 | -6.4 | 0 | 0 | 0 | 114.4 | ||||
| 115 | E | 25.3 | Very low | 29.5 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 87.2 | 128.3 | 157.3 | -31.9 | -161.3 | 145.2 | 0 | 0 | 114.3 | ||||
| 116 | T | 26.7 | Very low | 29 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | cis | -151.8 | 170.6 | 31.3 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 117 | S | 27.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -71.5 | 176.2 | -175.6 | 46.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 118 | D | 27.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 88.6 | 116.4 | 167 | -70 | -18 | 0 | 0 | 0 | 115.9 | ||||
| 119 | G | 26.2 | Very low | 28.1 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | cis | 114.4 | 102.3 | 20.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 120 | T | 31 | Very low | 27.7 | Very low | 151 Ų | 151 | 135 Ų | 135 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -179.1 | 126.9 | 142.4 | 38.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 121 | E | 28.1 | Very low | 27.5 | Very low | 203 Ų | 203 | 131.6 Ų | 131.6 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 155.8 | 173.9 | -58.2 | 176.4 | 114 | 0 | 0 | 111.7 | ||||
| 122 | G | 27.2 | Very low | 27.5 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -174.3 | 74.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 123 | V | 25.3 | Very low | 27.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -53 | 131.7 | 170.6 | -85 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 124 | H | 27.5 | Very low | 27.4 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -142.9 | 110.6 | 139.7 | -125.5 | -86.2 | 0 | 0 | 0 | 109.6 | ||||
| 125 | L | 27.4 | Very low | 26.7 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 106.5 | 178.1 | -158.9 | 155.5 | 0 | 0 | 0 | 105.5 | ||||
| 126 | A | 25.8 | Very low | 26.9 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -175.3 | 136.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 127 | Q | 26.3 | Very low | 26.9 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | -162.5 | 131.1 | -3.3 | -110.8 | 177.8 | -31.8 | 0 | 0 | 105.4 | ||||
| 128 | L | 29.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -85.2 | 113.6 | 158.8 | -79.4 | 166.3 | 0 | 0 | 0 | 107.6 | ||||
| 129 | S | 25 | Very low | 26.9 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 170.8 | 143.1 | 158.4 | 58.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 130 | A | 24.9 | Very low | 27.1 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | cis | -157.8 | 148.9 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 131 | V | 26 | Very low | 26.9 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -12.9 | 124.8 | 143.9 | -75 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 132 | T | 26 | Very low | 26.9 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 105.2 | 139.7 | -57.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 133 | S | 25.3 | Very low | 26.8 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -12.3 | 118 | 150.6 | -48 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 134 | L | 25.5 | Very low | 27 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -132.6 | 110.4 | 137.8 | -76.2 | 176.3 | 0 | 0 | 0 | 108 | ||||
| 135 | T | 27.6 | Very low | 27.1 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -50.4 | 154.5 | 166.6 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 136 | P | 27.5 | Very low | 27 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -77 | 143.5 | -165.1 | 31.1 | -34.9 | 0 | 0 | 0 | 112.5 | S138 | P136-S138 PolarHBondContact O-N 3.3Š| ||
| 137 | P | 28.6 | Very low | 27 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -77.5 | 113.2 | 158.3 | 29.3 | -27.5 | 0 | 0 | 0 | 109.2 | ||||
| 138 | S | 26.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -22.5 | 133.9 | 155.3 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | P136 | P136-S138 PolarHBondContact O-N 3.3Š| ||
| 139 | S | 27.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -35.1 | 148.4 | 163.5 | -52.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 140 | P | 30.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -128.6 | 113.7 | 125.8 | 23 | -6.1 | 0 | 0 | 0 | 111.2 | |||||
| 141 | E | 27 | Very low | 29.1 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | 31.6 | 106.8 | 131.3 | -67.4 | -101.7 | 105 | 0 | 0 | 117.6 | G143 | E141-G143 PolarHBondContact O-N 2.96Å; E141-G143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | L | 27.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -40.5 | 110.6 | 148.4 | -88.4 | 144.3 | 0 | 0 | 0 | 110.8 | R144 | L142-R144 HydrophobicContact CB-CG 4.5Å; L142-R144 PolarHBondContact O-N 2.75Å | ||
| 143 | G | 25.3 | Very low | 29.9 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -65.2 | 72 | 165 | 0 | 0 | 0 | 0 | 0 | 111.6 | E141 H145 | E141-G143 PolarHBondContact O-N 2.96Å; E141-G143 VanDerWaalsContact O-N 3.1Å; G143-H145 PolarHBondContact O-N 2.73Å | ||
| 144 | R | 29.2 | Very low | 30.7 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -81.3 | 104.4 | 159.1 | -69.5 | -177 | 179.1 | -171.1 | 1.3 | 106.6 | L142 L146 | L142-R144 HydrophobicContact CB-CG 4.5Å; L142-R144 PolarHBondContact O-N 2.75Å; R144-L146 HydrophobicContact CB-CD1 4.06Å; R144-L146 PolarHBondContact O-N 3.22Å | ||
| 145 | H | 28.6 | Very low | 31 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | trans | -68 | 74.8 | 161.2 | -98.1 | -74.8 | 0 | 0 | 0 | 109.5 | G143 V147 | G143-H145 PolarHBondContact O-N 2.73Å; H145-V147 VanDerWaalsContact C-N 3.33Å; H145-V147 PolarHBondContact O-N 3.26Å | ||
| 146 | L | 25.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -78.3 | 90 | 152.1 | -97.6 | 90.9 | 0 | 0 | 0 | 106.9 | R144 K148 | R144-L146 HydrophobicContact CB-CD1 4.06Å; R144-L146 PolarHBondContact O-N 3.22Å; L146-K148 PolarHBondContact O-N 3.39Å | ||
| 147 | V | 27.2 | Very low | 32.4 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | trans | -71.8 | 108.6 | 163.2 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | H145 | H145-V147 VanDerWaalsContact C-N 3.33Å; H145-V147 PolarHBondContact O-N 3.26Å | ||
| 148 | K | 34 | Very low | 33.1 | Very low | 177 Ų | 177 | 122 Ų | 122 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -61.6 | 139.1 | 166.8 | -66.1 | 175.1 | -179.7 | 176.5 | 0 | 108.5 | L146 S150 | L146-K148 PolarHBondContact O-N 3.39Å; K148-S150 PolarHBondContact O-N 2.88Å | ||
| 149 | P | 38.3 | Very low | 33.7 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | -70.5 | 112.2 | 167.4 | 27.7 | -29.8 | 0 | 0 | 0 | 108.8 | ||||
| 150 | S | 33.3 | Very low | 34.2 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -73.6 | 122.2 | 167.1 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | K148 | K148-S150 PolarHBondContact O-N 2.88Š| ||
| 151 | Q | 44.3 | Very low | 34.2 | Very low | 146 Ų | 146 | 118.5 Ų | 118.5 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | trans | -91.5 | 125.8 | 168.5 | -60.3 | 177.8 | 30.5 | 0 | 0 | 107.7 | ||||
| 152 | T | 35.9 | Very low | 34.7 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.9 | 170.9 | -41.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 153 | L | 32.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 56% | 0.56 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.6 | 170.8 | -87 | 145 | 0 | 0 | 0 | 108.1 | L163 | L153-L163 HydrophobicContact CD2-CD1 3.95Å; L153-L163 HydrophobicContact CG-CD1 4.16Å |
| 154 | T | 41.2 | Very low | 35.7 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 48% | 0.479 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.4 | 170 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | T162 | T154-T162 PolarHBondContact N-O 3.49Å; T154-T162 PolarHBondContact O-N 3.12Å; T154-T162 PolarHBondContact O-OG1 2.84Å |
| 155 | A | 33.2 | Very low | 36 | Very low | 82 Ų | 82 | 113 Ų | 113 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L161 | A155-L161 HydrophobicContact CB-CD2 3.56Å |
| 156 | S | 39.5 | Very low | 36.4 | Very low | 65 Ų | 65 | 111.3 Ų | 111.3 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | trans | -96.1 | 152.7 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | D158 G159 T160 | S156-D158 WeakPolarHBondContact CB-OD1 3.44Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 VanDerWaalsContact O-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.21Å; S156-G159 PolarHBondContact O-N 2.71Å; S156-T160 PolarHBondContact N-O 2.98Å | ||
| 157 | A | 44.3 | Very low | 37 | Very low | 117 Ų | 117 | 108.6 Ų | 108.6 | 97% | 0.967 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -8.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 158 | D | 42.5 | Very low | 37.4 | Very low | 119 Ų | 119 | 113.7 Ų | 113.7 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 9.1 | 175 | 55.6 | -29 | 0 | 0 | 0 | 113.2 | S156 | S156-D158 WeakPolarHBondContact CB-OD1 3.44Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 VanDerWaalsContact O-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.21Å |
| 159 | G | 39.6 | Very low | 37.5 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 86 | 5.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | S156 | S156-G159 PolarHBondContact O-N 2.71Š|
| 160 | T | 37.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 115 Ų | 115 | 47% | 0.466 | 66% | 0.664 | S | S | . | * | trans | -90.9 | 125.5 | 177.9 | -44.9 | 0 | 0 | 0 | 0 | 110.8 | S156 | S156-T160 PolarHBondContact N-O 2.98Š| ||
| 161 | L | 32.2 | Very low | 37.4 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 64% | 0.644 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.7 | 172.2 | -63.7 | 178.5 | 0 | 0 | 0 | 109.7 | A155 | A155-L161 HydrophobicContact CB-CD2 3.56Å |
| 162 | T | 37.5 | Very low | 36.8 | Very low | 75 Ų | 75 | 114 Ų | 114 | 46% | 0.46 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | 175 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | T154 | T154-T162 PolarHBondContact N-O 3.49Å; T154-T162 PolarHBondContact O-N 3.12Å; T154-T162 PolarHBondContact O-OG1 2.84Å |
| 163 | L | 34.7 | Very low | 36.4 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 50% | 0.497 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.8 | -177.4 | -161.2 | 135.5 | 0 | 0 | 0 | 108.5 | L153 L165 | L153-L163 HydrophobicContact CD2-CD1 3.95Å; L153-L163 HydrophobicContact CG-CD1 4.16Å; L163-L165 HydrophobicContact CD2-CD1 3.2Å |
| 164 | K | 38 | Very low | 36.2 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 108 | 178.3 | -94 | 178.5 | 176.2 | 169.4 | 0 | 110.2 | ||
| 165 | L | 35.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -91.2 | 119.9 | 167.2 | -112.6 | 79.5 | 0 | 0 | 0 | 110.1 | L163 A167 | L163-L165 HydrophobicContact CD2-CD1 3.2Å; L165-A167 PolarHBondContact O-N 3.22Å | ||
| 166 | V | 37.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | trans | -84.8 | 91.4 | 163.2 | -178 | 0 | 0 | 0 | 0 | 107.7 | R168 | V166-R168 PolarHBondContact O-N 3.28Š| ||
| 167 | A | 36.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | trans | -75.2 | 113.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L165 | L165-A167 PolarHBondContact O-N 3.22Š| ||
| 168 | R | 36.2 | Very low | 34.3 | Very low | 203 Ų | 203 | 128.9 Ų | 128.9 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -68.4 | 129.9 | 157.5 | -87 | 179.6 | 157.1 | -175.8 | -5.7 | 107.7 | V166 V170 | V166-R168 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.28Å | ||
| 169 | K | 36.5 | Very low | 33.7 | Very low | 218 Ų | 218 | 128 Ų | 128 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -60.8 | 87.1 | -178.6 | -158.8 | 170 | -170.7 | 171.4 | 0 | 110.5 | ||||
| 170 | V | 33.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | trans | -105.6 | 119.7 | 161.3 | -178.9 | 0 | 0 | 0 | 0 | 105 | R168 L172 | R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.28Å; V170-L172 VanDerWaalsContact C-N 3.34Å; V170-L172 HydrophobicContact CB-CD1 4.42Å; V170-L172 HydrophobicContact CG1-CD1 4.27Å; V170-L172 PolarHBondContact O-N 3.22Å | ||
| 171 | G | 36.3 | Very low | 32.8 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -62.7 | 97.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 172 | L | 31.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -99.8 | 115.8 | 164.5 | -86.2 | 126.5 | 0 | 0 | 0 | 107.4 | V170 | V170-L172 VanDerWaalsContact C-N 3.34Å; V170-L172 HydrophobicContact CB-CD1 4.42Å; V170-L172 HydrophobicContact CG1-CD1 4.27Å; V170-L172 PolarHBondContact O-N 3.22Å | ||
| 173 | S | 28 | Very low | 32.1 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.5 | 168.2 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | A175 | S173-A175 PolarHBondContact O-N 3.48Š|
| 174 | A | 27.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 126.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 175 | A | 28 | Very low | 31.6 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 125.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S173 | S173-A175 PolarHBondContact O-N 3.48Š|
| 176 | R | 27.6 | Very low | 31 | Very low | 236 Ų | 236 | 137.5 Ų | 137.5 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 117.5 | -175.9 | -169.6 | 174.1 | -178 | 168.5 | -0.8 | 108.8 | V178 | R176-V178 HydrophobicContact CG-CG2 4.31Š|
| 177 | L | 29.6 | Very low | 30.5 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | trans | -111.1 | 117.9 | 164.8 | -100.7 | 150.9 | 0 | 0 | 0 | 108.1 | ||||
| 178 | V | 31.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -97.1 | 130.8 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | R176 | R176-V178 HydrophobicContact CG-CG2 4.31Š| ||
| 179 | A | 30.4 | Very low | 30 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 150.4 | 127.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 180 | G | 28 | Very low | 29.5 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | 175.8 | 164.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 181 | H | 31.6 | Very low | 29.8 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | 83.7 | 101 | 175.4 | -66.7 | -100.7 | 0 | 0 | 0 | 117.9 | ||||
| 182 | A | 27.4 | Very low | 29.5 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -57.4 | 161.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 183 | L | 27.8 | Very low | 30.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | cis | -161.5 | -166.3 | 35.3 | -73.8 | 165.3 | 0 | 0 | 0 | 108.2 | ||||
| 184 | P | 34.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | -117.6 | 141.8 | -75.4 | 35.4 | -19.6 | 0 | 0 | 0 | 110.4 | |||||
| 185 | V | 26.5 | Very low | 30.7 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -127 | 124.5 | 166.5 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | Q | 24.5 | Very low | 30.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -61.2 | 134 | -173.6 | -62.4 | -149 | -18.1 | 0 | 0 | 111.6 | K188 | Q186-K188 PolarHBondContact O-N 2.87Š| ||
| 187 | V | 26.5 | Very low | 31.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -80.1 | 113.4 | 167.5 | -162.6 | 0 | 0 | 0 | 0 | 106.6 | E189 | V187-E189 HydrophobicContact CG1-CG 4.34Š| ||
| 188 | K | 24.7 | Very low | 31.5 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -96.2 | 112.1 | 154.8 | -79.9 | -172.8 | 174.8 | -174.4 | 0 | 106.5 | Q186 E190 | Q186-K188 PolarHBondContact O-N 2.87Å; K188-E190 PolarHBondContact O-N 3.19Å | ||
| 189 | E | 37 | Very low | 31.8 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -71 | 112.2 | 164 | -67.3 | 179.3 | 149.1 | 0 | 0 | 107.1 | V187 | V187-E189 HydrophobicContact CG1-CG 4.34Š| ||
| 190 | E | 26.6 | Very low | 31.9 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -116.1 | 99.3 | 161.7 | -75.1 | -175.1 | 171.8 | 0 | 0 | 106.8 | K188 E192 | K188-E190 PolarHBondContact O-N 3.19Å; E190-E192 PolarHBondContact O-N 3.05Å | ||
| 191 | E | 41.2 | Very low | 32.2 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -70 | 105.1 | 160.2 | -70.6 | -141.9 | 143.3 | 0 | 0 | 108.2 | ||||
| 192 | E | 29.9 | Very low | 32.3 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -148.8 | 130.7 | 151.7 | -73.8 | -156.4 | 152 | 0 | 0 | 110.8 | E190 A194 | E190-E192 PolarHBondContact O-N 3.05Å; E192-A194 PolarHBondContact O-N 3.42Å | ||
| 193 | G | 43 | Very low | 33 | Very low | 86 Ų | 86 | 138 Ų | 138 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -61.7 | 128.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 194 | A | 29.4 | Very low | 34.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -117 | 104.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E192 C196 | E192-A194 PolarHBondContact O-N 3.42Å; A194-C196 PolarHBondContact O-N 3.42Å | ||
| 195 | A | 39.9 | Very low | 35.3 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -54.3 | 121.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 196 | C | 27.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -97.2 | 99.6 | 175.6 | -152.2 | 0 | 0 | 0 | 0 | 108.9 | A194 | A194-C196 PolarHBondContact O-N 3.42Š| ||
| 197 | L | 39.3 | Very low | 39.3 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -82 | 111.2 | 160.2 | -73.7 | 170.3 | 0 | 0 | 0 | 107.8 | ||||
| 198 | I | 34.7 | Very low | 42 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -124.7 | 116.2 | 153 | -62.2 | -168.3 | 0 | 0 | 0 | 107.1 | G200 | I198-G200 PolarHBondContact O-N 2.84Š| ||
| 199 | G | 38.8 | Very low | 45.1 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -64 | 117 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 200 | G | 31.7 | Very low | 47.7 | Very low | 59 Ų | 59 | 133.6 Ų | 133.6 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | -150.9 | 124.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | I198 L202 | I198-G200 PolarHBondContact O-N 2.84Å; G200-L202 PolarHBondContact O-N 3.44Å | ||
| 201 | E | 33.9 | Very low | 50.8 | Low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 123.2 | -173.6 | -64.9 | 169.9 | 127.1 | 0 | 0 | 110.8 | P203 | E201-P203 WeakPolarHBondContact O-CD 3.05Š|
| 202 | L | 34.1 | Very low | 53.2 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 53% | 0.534 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 123.5 | -176.7 | -85.2 | 153.4 | 0 | 0 | 0 | 109.5 | G200 E204 K206 | G200-L202 PolarHBondContact O-N 3.44Å; L202-E204 PolarHBondContact O-N 3.21Å; L202-E204 VanDerWaalsContact O-N 3.12Å; L202-K206 HydrophobicContact CD1-CD 4.38Å; L202-K206 HydrophobicContact CD2-CD 3.75Å; L202-K206 HydrophobicContact CD2-CG 4.15Å |
| 203 | P | 42.6 | Very low | 56.2 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118 | 156.8 | 26.3 | -30 | 0 | 0 | 0 | 107.1 | E201 N205 | E201-P203 WeakPolarHBondContact O-CD 3.05Å; P203-N205 PolarHBondContact O-N 3.28Å |
| 204 | E | 53.5 | Low | 58.5 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -65.5 | 75.7 | 179.4 | -75 | 175 | 135.5 | 0 | 0 | 111.2 | L202 | L202-E204 PolarHBondContact O-N 3.21Å; L202-E204 VanDerWaalsContact O-N 3.12Å |
| 205 | N | 56 | Low | 61.5 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | trans | -156.9 | 55.7 | 158.4 | -156.5 | -24.4 | 0 | 0 | 0 | 110.6 | P203 K207 | P203-N205 PolarHBondContact O-N 3.28Å; N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.29Å | ||
| 206 | K | 64.2 | Low | 63.8 | Low | 157 Ų | 157 | 128 Ų | 128 | 68% | 0.683 | 68% | 0.678 | S | S | * | * | trans | -70.2 | 89.8 | 172.2 | -90.8 | 173.6 | 158.2 | 163.3 | 0 | 109.3 | L202 R208 | L202-K206 HydrophobicContact CD1-CD 4.38Å; L202-K206 HydrophobicContact CD2-CD 3.75Å; L202-K206 HydrophobicContact CD2-CG 4.15Å; K206-R208 PolarHBondContact O-N 3.3Å; K206-R208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | K | 72 | Confident | 66.8 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | -56.2 | 114.9 | 168.1 | -68.4 | 177.4 | -177.3 | 171.9 | 0 | 108.8 | N205 I209 | N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.29Å; K207-I209 PolarHBondContact O-N 2.93Å | ||
| 208 | R | 82.3 | Confident | 69.3 | Low | 197 Ų | 197 | 126.7 Ų | 126.7 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -62.5 | 126.9 | 178.9 | -172.8 | 176.5 | 179.9 | -176.8 | 0.8 | 109.7 | K206 H210 | K206-R208 PolarHBondContact O-N 3.3Å; K206-R208 VanDerWaalsContact O-N 3.08Å; R208-H210 PolarHBondContact O-CD2 3.42Å | ||
| 209 | I | 90.1 | Very high | 72 | Confident | 106 Ų | 106 | 125.4 Ų | 125.4 | 54% | 0.544 | 64% | 0.637 | S | S | . | * | trans | -89.4 | 129 | 175 | -57.9 | 174 | 0 | 0 | 0 | 108.5 | K207 V220 | K207-I209 PolarHBondContact O-N 2.93Å; I209-V220 HydrophobicContact CG2-CB 4.08Å | ||
| 210 | H | 90.5 | Very high | 74.5 | Confident | 38 Ų | 38 | 125.1 Ų | 125.1 | 18% | 0.176 | 62% | 0.618 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.6 | 179 | -63 | -83.7 | 0 | 0 | 0 | 109.5 | R208 V220 Y221 K223 S224 L227 | R208-H210 PolarHBondContact O-CD2 3.42Å; H210-V220 CarbonylContact O-C 3.56Å; H210-V220 WeakPolarHBondContact O-CA 3Å; H210-Y221 WeakPolarHBondContact CB-O 3.38Å; H210-Y221 PolarHBondContact N-O 3.4Å; H210-Y221 PolarHBondContact O-N 3.46Å; H210-K223 VanDerWaalsContact CD2-C 3.47Å; H210-S224 PolarHBondContact CD2-N 3.46Å; H210-S224 VanDerWaalsContact CD2-N 3.32Å; H210-S224 PolarHBondContact NE2-N 3.27Å; H210-L227 HydrophobicContact CB-CB 3.99Å; H210-L227 HydrophobicContact CB-CD2 3.73Å; H210-L227 HydrophobicContact CB-CG 4.44Å |
| 211 | R | 92.6 | Very high | 77.4 | Confident | 181 Ų | 181 | 124.4 Ų | 124.4 | 68% | 0.683 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.4 | 178.6 | -56.7 | -165.1 | 179.3 | -149.6 | 0.5 | 110.9 | V220 L227 | R211-V220 HydrophobicContact CB-CG1 4.28Å; R211-V220 HydrophobicContact CG-CG1 3.78Å; R211-L227 WeakPolarHBondContact O-CD2 3.47Å |
| 212 | C | 92.6 | Very high | 80.1 | Confident | 13 Ų | 13 | 119.4 Ų | 119.4 | 9% | 0.088 | 58% | 0.581 | C | S | . | * | trans | -68.2 | 135.5 | 166.9 | -165.8 | 0 | 0 | 0 | 0 | 109.8 | C217 K219 L227 H230 | C212-C217 HydrophobicContact CB-CB 4.3Å; C212-K219 WeakPolarHBondContact CB-O 3.35Å; C212-K219 PolarHBondContact N-O 2.81Å; C212-L227 HydrophobicContact CB-CD1 3.95Å; C212-H230 PolarHBondContact SG-NE2 3.27Å | ||
| 213 | Q | 91.2 | Very high | 82.7 | Confident | 179 Ų | 179 | 120.2 Ų | 120.2 | 84% | 0.836 | 58% | 0.58 | S | S | * | * | trans | -100 | 0.2 | -180 | -64.3 | 175.9 | 8.9 | 0 | 0 | 112.2 | ||||
| 214 | F | 92 | Very high | 84.9 | Confident | 109 Ų | 109 | 118.4 Ų | 118.4 | 48% | 0.478 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -68.8 | 137.5 | 179.7 | -167.6 | -94.9 | 0 | 0 | 0 | 110.8 | G216 C217 H234 | F214-G216 PolarHBondContact O-N 3.49Å; F214-C217 HydrophobicContact CB-CB 4.01Å; F214-C217 HydrophobicContact CD1-CB 4.4Å; F214-C217 WeakPolarHBondContact O-CB 3.49Å; F214-C217 PolarHBondContact O-N 3.16Å; F214-H234 VanDerWaalsContact CB-CD2 3.48Å; F214-H234 WeakPolarHBondContact CB-CD2 3.42Å; F214-H234 HydrophobicContact CD1-CB 4.28Å; F214-H234 AromaticContact CD1-CE1 3.49Å; F214-H234 VanDerWaalsContact CD1-CE1 3.49Å; F214-H234 WeakPolarHBondContact CD1-CE1 3.34Å; F214-H234 AromaticContact CD1-CG 3.65Å; F214-H234 AromaticContact CD1-ND1 3.25Å; F214-H234 WeakPolarHBondContact CD1-ND1 3.5Å; F214-H234 HydrophobicContact CD2-CB 3.55Å; F214-H234 AromaticContact CD2-CG 3.7Å; F214-H234 HydrophobicContact CE1-CB 4.39Å; F214-H234 AromaticContact CE1-ND1 3.56Å; F214-H234 HydrophobicContact CE2-CB 3.69Å; F214-H234 HydrophobicContact CG-CB 3.85Å; F214-H234 AromaticContact CG-CD2 3.66Å; F214-H234 AromaticContact CG-CE1 3.85Å; F214-H234 AromaticContact CG-CG 3.42Å; F214-H234 VanDerWaalsContact CG-CG 3.42Å; F214-H234 AromaticContact CG-ND1 3.56Å; F214-H234 AromaticContact CG-NE2 3.93Å; F214-H234 HydrophobicContact CZ-CB 4.11Å |
| 215 | N | 91.8 | Very high | 86.6 | Confident | 155 Ų | 155 | 112.3 Ų | 112.3 | 83% | 0.829 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.7 | -176.7 | -168.9 | 21.2 | 0 | 0 | 0 | 110.9 | C217 | N215-C217 PolarHBondContact O-N 2.9Š|
| 216 | G | 88.7 | Confident | 88.1 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 76% | 0.763 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F214 | F214-G216 PolarHBondContact O-N 3.49Š|
| 217 | C | 90 | Very high | 89.4 | Confident | 23 Ų | 23 | 104 Ų | 104 | 16% | 0.155 | 51% | 0.509 | C | S | . | . | trans | -93.3 | 118.8 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | C212 F214 N215 H230 H234 | C212-C217 HydrophobicContact CB-CB 4.3Å; F214-C217 HydrophobicContact CB-CB 4.01Å; F214-C217 HydrophobicContact CD1-CB 4.4Å; F214-C217 WeakPolarHBondContact O-CB 3.49Å; F214-C217 PolarHBondContact O-N 3.16Å; N215-C217 PolarHBondContact O-N 2.9Å; C217-H230 PolarHBondContact SG-NE2 3.25Å; C217-H234 PolarHBondContact SG-NE2 3.4Å | ||
| 218 | R | 91.4 | Very high | 90.1 | Very high | 240 Ų | 240 | 103 Ų | 103 | 91% | 0.906 | 51% | 0.505 | S | S | * | . | trans | -102.3 | 15.5 | 179 | -60.3 | -175.9 | -172.9 | -136.7 | 0.4 | 114 | ||||
| 219 | K | 91.5 | Very high | 90.3 | Very high | 123 Ų | 123 | 94.6 Ų | 94.6 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | trans | -74.5 | 139.5 | -176.2 | -63.2 | -116.6 | -178 | -178.7 | 0 | 111.7 | C212 Y221 | C212-K219 WeakPolarHBondContact CB-O 3.35Å; C212-K219 PolarHBondContact N-O 2.81Å; K219-Y221 HydrophobicContact CB-CE2 3.79Å | ||
| 220 | V | 92.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 90.4 Ų | 90.4 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 111 | I209 H210 R211 | I209-V220 HydrophobicContact CG2-CB 4.08Å; H210-V220 CarbonylContact O-C 3.56Å; H210-V220 WeakPolarHBondContact O-CA 3Å; R211-V220 HydrophobicContact CB-CG1 4.28Å; R211-V220 HydrophobicContact CG-CG1 3.78Å |
| 221 | Y | 91.8 | Very high | 90.1 | Very high | 44 Ų | 44 | 92.3 Ų | 92.3 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.4 | -173 | -59.3 | -84.2 | 0 | 0 | 0 | 110.6 | H210 K219 H226 L227 H230 | H210-Y221 WeakPolarHBondContact CB-O 3.38Å; H210-Y221 PolarHBondContact N-O 3.4Å; H210-Y221 PolarHBondContact O-N 3.46Å; K219-Y221 HydrophobicContact CB-CE2 3.79Å; Y221-H226 HydrophobicContact CD1-CB 3.61Å; Y221-H226 HydrophobicContact CE1-CB 4.41Å; Y221-H226 HydrophobicContact CG-CB 4.08Å; Y221-L227 HydrophobicContact CD2-CB 3.84Å; Y221-L227 HydrophobicContact CD2-CD1 3.77Å; Y221-L227 HydrophobicContact CD2-CG 4.42Å; Y221-L227 HydrophobicContact CE2-CD1 4.04Å; Y221-L227 HydrophobicContact CG-CB 4.21Å; Y221-H230 HydrophobicContact CE1-CB 4.14Å; Y221-H230 HydrophobicContact CE2-CB 3.68Å; Y221-H230 AromaticContact CE2-CD2 3.33Å; Y221-H230 WeakPolarHBondContact CE2-CD2 3.25Å; Y221-H230 AromaticContact CE2-CG 3.6Å; Y221-H230 AromaticContact CZ-CD2 3.67Å; Y221-H230 AromaticContact CZ-CG 3.45Å; Y221-H230 VanDerWaalsContact CZ-CG 3.45Å; Y221-H230 WeakPolarHBondContact OH-CB 3.17Å; Y221-H230 PolarHBondContact OH-CD2 3.27Å; Y221-H230 VanDerWaalsContact OH-CD2 3.29Å; Y221-H230 PolarHBondContact OH-ND1 2.95Å; Y221-H230 VanDerWaalsContact OH-ND1 3.13Å |
| 222 | T | 91.6 | Very high | 89.9 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -88.1 | -8.4 | 175.7 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 223 | K | 89.2 | Confident | 89.6 | Confident | 119 Ų | 119 | 88.2 Ų | 88.2 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -127.6 | 136.7 | 177.8 | -62.5 | -174.2 | -177.7 | -179.9 | 0 | 109.9 | H210 S225 H226 L227 | H210-K223 VanDerWaalsContact CD2-C 3.47Å; K223-S225 VanDerWaalsContact C-N 3.29Å; K223-S225 PolarHBondContact O-N 3.35Å; K223-H226 HydrophobicContact CB-CB 4.38Å; K223-H226 PolarHBondContact O-N 3.27Å; K223-L227 PolarHBondContact O-N 3.24Å |
| 224 | S | 88.6 | Confident | 89.4 | Confident | 76 Ų | 76 | 82.4 Ų | 82.4 | 53% | 0.531 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | H210 H226 L227 K228 | H210-S224 PolarHBondContact CD2-N 3.46Å; H210-S224 VanDerWaalsContact CD2-N 3.32Å; H210-S224 PolarHBondContact NE2-N 3.27Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.35Å; S224-L227 PolarHBondContact O-N 2.81Å; S224-K228 PolarHBondContact O-N 3.33Å |
| 225 | S | 87.8 | Confident | 89.2 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.3 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | K223 K228 A229 | K223-S225 VanDerWaalsContact C-N 3.29Å; K223-S225 PolarHBondContact O-N 3.35Å; S225-K228 PolarHBondContact O-N 3.43Å; S225-A229 WeakPolarHBondContact O-CB 3.39Å; S225-A229 PolarHBondContact O-N 3.12Å |
| 226 | H | 88.5 | Confident | 88.9 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 176.8 | -65.9 | -176.9 | 0 | 0 | 0 | 111.7 | Y221 K223 S224 A229 H230 | Y221-H226 HydrophobicContact CD1-CB 3.61Å; Y221-H226 HydrophobicContact CE1-CB 4.41Å; Y221-H226 HydrophobicContact CG-CB 4.08Å; K223-H226 HydrophobicContact CB-CB 4.38Å; K223-H226 PolarHBondContact O-N 3.27Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.35Å; H226-A229 PolarHBondContact O-N 3.04Å; H226-H230 WeakPolarHBondContact O-CB 3.46Å; H226-H230 PolarHBondContact O-N 3.1Å |
| 227 | L | 90.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 172.6 | 173.2 | 62.3 | 0 | 0 | 0 | 110.7 | H210 R211 C212 Y221 K223 S224 A229 H230 Q231 | H210-L227 HydrophobicContact CB-CB 3.99Å; H210-L227 HydrophobicContact CB-CD2 3.73Å; H210-L227 HydrophobicContact CB-CG 4.44Å; R211-L227 WeakPolarHBondContact O-CD2 3.47Å; C212-L227 HydrophobicContact CB-CD1 3.95Å; Y221-L227 HydrophobicContact CD2-CB 3.84Å; Y221-L227 HydrophobicContact CD2-CD1 3.77Å; Y221-L227 HydrophobicContact CD2-CG 4.42Å; Y221-L227 HydrophobicContact CE2-CD1 4.04Å; Y221-L227 HydrophobicContact CG-CB 4.21Å; K223-L227 PolarHBondContact O-N 3.24Å; S224-L227 PolarHBondContact O-N 2.81Å; L227-A229 VanDerWaalsContact C-N 3.34Å; L227-A229 PolarHBondContact O-N 2.97Å; L227-H230 WeakPolarHBondContact O-CB 3.41Å; L227-H230 PolarHBondContact O-N 3.28Å; L227-H230 VanDerWaalsContact O-N 3.13Å; L227-Q231 HydrophobicContact CD1-CG 4.21Å; L227-Q231 HydrophobicContact CG-CG 4.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.45Å; L227-Q231 PolarHBondContact O-N 2.97Å |
| 228 | K | 88 | Confident | 88.8 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 178.7 | -169.3 | 173.3 | -174.3 | 176.8 | 0 | 112 | S224 S225 H230 Q231 | S224-K228 PolarHBondContact O-N 3.33Å; S225-K228 PolarHBondContact O-N 3.43Å; K228-H230 VanDerWaalsContact C-N 3.33Å; K228-Q231 PolarHBondContact O-N 3.46Å |
| 229 | A | 86.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S225 H226 L227 R232 R253 | S225-A229 WeakPolarHBondContact O-CB 3.39Å; S225-A229 PolarHBondContact O-N 3.12Å; H226-A229 PolarHBondContact O-N 3.04Å; L227-A229 VanDerWaalsContact C-N 3.34Å; L227-A229 PolarHBondContact O-N 2.97Å; A229-R232 WeakPolarHBondContact O-CB 3.33Å; A229-R232 PolarHBondContact O-N 3.21Å; A229-R253 HydrophobicContact CB-CG 4.37Å |
| 230 | H | 87.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.9 | -38 | 175.3 | 166.1 | 59.5 | 0 | 0 | 0 | 113 | C212 C217 Y221 H226 L227 K228 R232 T233 H234 | C212-H230 PolarHBondContact SG-NE2 3.27Å; C217-H230 PolarHBondContact SG-NE2 3.25Å; Y221-H230 HydrophobicContact CE1-CB 4.14Å; Y221-H230 HydrophobicContact CE2-CB 3.68Å; Y221-H230 AromaticContact CE2-CD2 3.33Å; Y221-H230 WeakPolarHBondContact CE2-CD2 3.25Å; Y221-H230 AromaticContact CE2-CG 3.6Å; Y221-H230 AromaticContact CZ-CD2 3.67Å; Y221-H230 AromaticContact CZ-CG 3.45Å; Y221-H230 VanDerWaalsContact CZ-CG 3.45Å; Y221-H230 WeakPolarHBondContact OH-CB 3.17Å; Y221-H230 PolarHBondContact OH-CD2 3.27Å; Y221-H230 VanDerWaalsContact OH-CD2 3.29Å; Y221-H230 PolarHBondContact OH-ND1 2.95Å; Y221-H230 VanDerWaalsContact OH-ND1 3.13Å; H226-H230 WeakPolarHBondContact O-CB 3.46Å; H226-H230 PolarHBondContact O-N 3.1Å; L227-H230 WeakPolarHBondContact O-CB 3.41Å; L227-H230 PolarHBondContact O-N 3.28Å; L227-H230 VanDerWaalsContact O-N 3.13Å; K228-H230 VanDerWaalsContact C-N 3.33Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.08Å; H230-T233 PolarHBondContact ND1-OG1 2.92Å; H230-T233 WeakPolarHBondContact O-CB 3.48Å; H230-T233 WeakPolarHBondContact O-CG2 3.49Å; H230-T233 PolarHBondContact O-N 2.9Å; H230-T233 PolarHBondContact O-OG1 3.35Å; H230-H234 AromaticContact CE1-NE2 3.44Å; H230-H234 PolarHBondContact CE1-NE2 3.45Å; H230-H234 AromaticContact NE2-NE2 3.33Å; H230-H234 PolarHBondContact NE2-NE2 3.37Å |
| 231 | Q | 88 | Confident | 88.5 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -27.8 | 178.7 | -75.6 | 172.8 | -48.6 | 0 | 0 | 112.4 | L227 K228 T233 H234 T235 | L227-Q231 HydrophobicContact CD1-CG 4.21Å; L227-Q231 HydrophobicContact CG-CG 4.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.45Å; L227-Q231 PolarHBondContact O-N 2.97Å; K228-Q231 PolarHBondContact O-N 3.46Å; Q231-T233 PolarHBondContact O-N 3.2Å; Q231-H234 WeakPolarHBondContact O-CB 3.45Å; Q231-H234 PolarHBondContact O-N 2.96Å; Q231-T235 PolarHBondContact O-N 3.13Å |
| 232 | R | 88.9 | Confident | 88.4 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 15% | 0.151 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62 | -22.8 | 172.9 | -59.3 | -172.3 | -175.8 | 114.3 | 5.3 | 114.2 | A229 H230 H234 T235 G236 E237 A252 | A229-R232 WeakPolarHBondContact O-CB 3.33Å; A229-R232 PolarHBondContact O-N 3.21Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.08Å; R232-H234 PolarHBondContact O-N 3.02Å; R232-T235 WeakPolarHBondContact CA-OG1 3.24Å; R232-G236 WeakPolarHBondContact O-CA 3.43Å; R232-G236 PolarHBondContact O-N 3.38Å; R232-E237 HydrophobicContact CB-CB 4.31Å; R232-E237 HydrophobicContact CG-CB 4.12Å; R232-E237 PolarHBondContact O-N 3.41Å; R232-A252 HydrophobicContact CB-CB 4.13Å; R232-A252 WeakPolarHBondContact CD-O 3.35Å; R232-A252 PolarHBondContact NH1-O 3.31Å |
| 233 | T | 86.1 | Confident | 88.4 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.1 | -14.9 | 173.6 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | Y66 H230 Q231 | Y66-T233 PolarHBondContact OH-O 3.44Å; H230-T233 PolarHBondContact ND1-OG1 2.92Å; H230-T233 WeakPolarHBondContact O-CB 3.48Å; H230-T233 WeakPolarHBondContact O-CG2 3.49Å; H230-T233 PolarHBondContact O-N 2.9Å; H230-T233 PolarHBondContact O-OG1 3.35Å; Q231-T233 PolarHBondContact O-N 3.2Å |
| 234 | H | 87.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 65 Ų | 65 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -95.6 | -37.7 | 174.6 | -64 | -55.4 | 0 | 0 | 0 | 111.7 | F214 C217 H230 Q231 R232 | F214-H234 VanDerWaalsContact CB-CD2 3.48Å; F214-H234 WeakPolarHBondContact CB-CD2 3.42Å; F214-H234 HydrophobicContact CD1-CB 4.28Å; F214-H234 AromaticContact CD1-CE1 3.49Å; F214-H234 VanDerWaalsContact CD1-CE1 3.49Å; F214-H234 WeakPolarHBondContact CD1-CE1 3.34Å; F214-H234 AromaticContact CD1-CG 3.65Å; F214-H234 AromaticContact CD1-ND1 3.25Å; F214-H234 WeakPolarHBondContact CD1-ND1 3.5Å; F214-H234 HydrophobicContact CD2-CB 3.55Å; F214-H234 AromaticContact CD2-CG 3.7Å; F214-H234 HydrophobicContact CE1-CB 4.39Å; F214-H234 AromaticContact CE1-ND1 3.56Å; F214-H234 HydrophobicContact CE2-CB 3.69Å; F214-H234 HydrophobicContact CG-CB 3.85Å; F214-H234 AromaticContact CG-CD2 3.66Å; F214-H234 AromaticContact CG-CE1 3.85Å; F214-H234 AromaticContact CG-CG 3.42Å; F214-H234 VanDerWaalsContact CG-CG 3.42Å; F214-H234 AromaticContact CG-ND1 3.56Å; F214-H234 AromaticContact CG-NE2 3.93Å; F214-H234 HydrophobicContact CZ-CB 4.11Å; C217-H234 PolarHBondContact SG-NE2 3.4Å; H230-H234 AromaticContact CE1-NE2 3.44Å; H230-H234 PolarHBondContact CE1-NE2 3.45Å; H230-H234 AromaticContact NE2-NE2 3.33Å; H230-H234 PolarHBondContact NE2-NE2 3.37Å; Q231-H234 WeakPolarHBondContact O-CB 3.45Å; Q231-H234 PolarHBondContact O-N 2.96Å; R232-H234 PolarHBondContact O-N 3.02Å |
| 235 | T | 86.5 | Confident | 88.4 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -87.4 | -13.5 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | Q231 R232 E237 | Q231-T235 PolarHBondContact O-N 3.13Å; R232-T235 WeakPolarHBondContact CA-OG1 3.24Å; T235-E237 PolarHBondContact O-N 2.88Å; T235-E237 WeakPolarHBondContact OG1-CG 3.05Å |
| 236 | G | 85.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | trans | 74 | 3.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R232 K238 | R232-G236 WeakPolarHBondContact O-CA 3.43Å; R232-G236 PolarHBondContact O-N 3.38Å; G236-K238 PolarHBondContact O-N 3.41Å | ||
| 237 | E | 87.9 | Confident | 88.4 | Confident | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | trans | -60.4 | 121.9 | -177.7 | -77.9 | 177.9 | -162.2 | 0 | 0 | 112.5 | R232 T235 P239 | R232-E237 HydrophobicContact CB-CB 4.31Å; R232-E237 HydrophobicContact CG-CB 4.12Å; R232-E237 PolarHBondContact O-N 3.41Å; T235-E237 PolarHBondContact O-N 2.88Å; T235-E237 WeakPolarHBondContact OG1-CG 3.05Å; E237-P239 VanDerWaalsContact O-CD 3.31Å; E237-P239 WeakPolarHBondContact O-CD 2.85Å | ||
| 238 | K | 89 | Confident | 88.4 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | trans | -120.5 | 77.1 | 176.6 | -67.1 | 167.7 | -178.7 | 176.5 | 0 | 110.7 | G236 Y240 R250 F251 | G236-K238 PolarHBondContact O-N 3.41Å; K238-Y240 VanDerWaalsContact C-N 3.25Å; K238-Y240 PolarHBondContact O-N 2.94Å; K238-R250 HydrophobicContact CB-CB 3.53Å; K238-R250 HydrophobicContact CD-CB 4.2Å; K238-R250 HydrophobicContact CG-CB 4.43Å; K238-R250 PolarHBondContact O-NE 3.42Å; K238-F251 CarbonylContact C-O 3.3Å; K238-F251 VanDerWaalsContact C-O 3.3Å; K238-F251 VanDerWaalsContact CA-O 3.29Å; K238-F251 WeakPolarHBondContact CA-O 3.15Å | ||
| 239 | P | 88.7 | Confident | 88.4 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 28% | 0.279 | 39% | 0.394 | S | S | . | . | trans | -68.9 | -22.1 | -174.6 | 25.8 | -32.9 | 0 | 0 | 0 | 113.3 | E237 | E237-P239 VanDerWaalsContact O-CD 3.31Å; E237-P239 WeakPolarHBondContact O-CD 2.85Å | ||
| 240 | Y | 89.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 102.1 | -174.1 | -57 | -78.4 | 0 | 0 | 0 | 111.1 | P84 K238 R250 F251 A252 | P84-Y240 HydrophobicContact CG-CE1 3.93Å; K238-Y240 VanDerWaalsContact C-N 3.25Å; K238-Y240 PolarHBondContact O-N 2.94Å; Y240-R250 CarbonylContact O-C 3.47Å; Y240-R250 VanDerWaalsContact O-CA 3.26Å; Y240-R250 WeakPolarHBondContact O-CA 3.38Å; Y240-F251 WeakPolarHBondContact CD2-O 3.32Å; Y240-F251 PolarHBondContact N-O 3.45Å; Y240-F251 VanDerWaalsContact N-O 3.09Å; Y240-F251 PolarHBondContact O-N 2.94Å; Y240-A252 WeakPolarHBondContact CE2-O 3.35Å |
| 241 | K | 90.1 | Very high | 88.5 | Confident | 107 Ų | 107 | 80 Ų | 80 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 142.3 | 176.6 | -171.7 | -178.3 | 176.6 | -179.8 | 0 | 111.1 | R250 | K241-R250 HydrophobicContact CB-CG 4.34Å; K241-R250 HydrophobicContact CG-CG 4.23Å |
| 242 | C | 90.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | trans | -68.3 | 130.6 | 167.8 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | W244 C247 W249 L257 H260 | C242-W244 VanDerWaalsContact C-N 3.34Å; C242-C247 HydrophobicContact CB-CB 4.24Å; C242-W249 WeakPolarHBondContact CB-O 3.41Å; C242-W249 PolarHBondContact N-O 3.46Å; C242-L257 HydrophobicContact CB-CD1 4.12Å; C242-H260 VanDerWaalsContact SG-CD2 3.57Å | ||
| 243 | S | 91.2 | Very high | 88.3 | Confident | 84 Ų | 84 | 80.5 Ų | 80.5 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | trans | -94 | 10.3 | 177 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 244 | W | 88.7 | Confident | 88.3 | Confident | 101 Ų | 101 | 79.7 Ų | 79.7 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -78.5 | 134.3 | 177.3 | -167 | -83.8 | 0 | 0 | 0 | 110.5 | C242 G246 C247 Y261 H264 T265 | C242-W244 VanDerWaalsContact C-N 3.34Å; W244-G246 PolarHBondContact O-N 3.49Å; W244-C247 HydrophobicContact CB-CB 3.97Å; W244-C247 WeakPolarHBondContact O-CB 3.26Å; W244-C247 PolarHBondContact O-N 2.64Å; W244-Y261 HydrophobicContact CE3-CE1 4.35Å; W244-Y261 HydrophobicContact CE3-CE2 4.15Å; W244-Y261 AromaticContact CE3-CZ 3.85Å; W244-Y261 HydrophobicContact CZ3-CE1 4.42Å; W244-H264 AromaticContact CD1-CE1 3.64Å; W244-H264 AromaticContact CD1-CG 3.94Å; W244-H264 AromaticContact CD1-ND1 3.49Å; W244-H264 HydrophobicContact CD2-CB 3.41Å; W244-H264 VanDerWaalsContact CD2-CB 3.41Å; W244-H264 AromaticContact CD2-CD2 3.94Å; W244-H264 AromaticContact CD2-CG 3.45Å; W244-H264 VanDerWaalsContact CD2-CG 3.45Å; W244-H264 AromaticContact CD2-ND1 3.78Å; W244-H264 AromaticContact CE2-CG 3.86Å; W244-H264 AromaticContact CE2-ND1 3.85Å; W244-H264 HydrophobicContact CE3-CB 3.35Å; W244-H264 AromaticContact CE3-CG 3.82Å; W244-H264 HydrophobicContact CG-CB 4.06Å; W244-H264 AromaticContact CG-CD2 3.66Å; W244-H264 AromaticContact CG-CE1 3.72Å; W244-H264 AromaticContact CG-CG 3.52Å; W244-H264 AromaticContact CG-ND1 3.56Å; W244-H264 AromaticContact CG-NE2 3.81Å; W244-H264 HydrophobicContact CH2-CB 3.8Å; W244-H264 HydrophobicContact CZ2-CB 3.87Å; W244-H264 HydrophobicContact CZ3-CB 3.55Å; W244-H264 AromaticContact NE1-ND1 3.68Å; W244-T265 HydrophobicContact CZ3-CG2 3.97Å |
| 245 | E | 90.2 | Very high | 88.2 | Confident | 177 Ų | 177 | 80.5 Ų | 80.5 | 83% | 0.827 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 125.7 | -179.6 | -64.6 | -59.4 | 143.4 | 0 | 0 | 111.4 | C247 | E245-C247 VanDerWaalsContact C-N 3.29Å; E245-C247 PolarHBondContact O-N 3.1Å |
| 246 | G | 88.4 | Confident | 88.2 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 89% | 0.887 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | W244 | W244-G246 PolarHBondContact O-N 3.49Š|
| 247 | C | 87.6 | Confident | 88.4 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 10% | 0.095 | 39% | 0.386 | C | S | . | . | trans | -109.2 | 115 | 174.5 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | C242 W244 E245 H260 H264 | C242-C247 HydrophobicContact CB-CB 4.24Å; W244-C247 HydrophobicContact CB-CB 3.97Å; W244-C247 WeakPolarHBondContact O-CB 3.26Å; W244-C247 PolarHBondContact O-N 2.64Å; E245-C247 VanDerWaalsContact C-N 3.29Å; E245-C247 PolarHBondContact O-N 3.1Å; C247-H260 PolarHBondContact SG-NE2 3.38Å; C247-H264 PolarHBondContact SG-NE2 3.17Å | ||
| 248 | E | 89.4 | Confident | 88.4 | Confident | 159 Ų | 159 | 73.8 Ų | 73.8 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | trans | -102 | 10.9 | -179.7 | -58.7 | -168.4 | 143.9 | 0 | 0 | 113.3 | R250 | E248-R250 PolarHBondContact O-N 3.41Š| ||
| 249 | W | 88.3 | Confident | 88.3 | Confident | 163 Ų | 163 | 72.9 Ų | 72.9 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | trans | -65.4 | 136 | -176.9 | -79.1 | 67.3 | 0 | 0 | 0 | 112 | C242 F251 H260 | C242-W249 WeakPolarHBondContact CB-O 3.41Å; C242-W249 PolarHBondContact N-O 3.46Å; W249-F251 HydrophobicContact CB-CE2 3.91Å; W249-F251 HydrophobicContact CB-CZ 3.9Å; W249-F251 HydrophobicContact CE3-CE1 4.33Å; W249-F251 HydrophobicContact CE3-CZ 4.1Å; W249-H260 AromaticContact CG-CE1 3.95Å | ||
| 250 | R | 89.4 | Confident | 88.3 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.9 | 177.3 | -48.8 | -174.4 | 77.1 | 116.1 | 1.8 | 111.2 | K238 Y240 K241 E248 | K238-R250 HydrophobicContact CB-CB 3.53Å; K238-R250 HydrophobicContact CD-CB 4.2Å; K238-R250 HydrophobicContact CG-CB 4.43Å; K238-R250 PolarHBondContact O-NE 3.42Å; Y240-R250 CarbonylContact O-C 3.47Å; Y240-R250 VanDerWaalsContact O-CA 3.26Å; Y240-R250 WeakPolarHBondContact O-CA 3.38Å; K241-R250 HydrophobicContact CB-CG 4.34Å; K241-R250 HydrophobicContact CG-CG 4.23Å; E248-R250 PolarHBondContact O-N 3.41Å |
| 251 | F | 87.1 | Confident | 88.1 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.5 | -174.6 | -58.3 | -82.6 | 0 | 0 | 0 | 111.6 | K238 Y240 W249 E256 L257 H260 | K238-F251 CarbonylContact C-O 3.3Å; K238-F251 VanDerWaalsContact C-O 3.3Å; K238-F251 VanDerWaalsContact CA-O 3.29Å; K238-F251 WeakPolarHBondContact CA-O 3.15Å; Y240-F251 WeakPolarHBondContact CD2-O 3.32Å; Y240-F251 PolarHBondContact N-O 3.45Å; Y240-F251 VanDerWaalsContact N-O 3.09Å; Y240-F251 PolarHBondContact O-N 2.94Å; W249-F251 HydrophobicContact CB-CE2 3.91Å; W249-F251 HydrophobicContact CB-CZ 3.9Å; W249-F251 HydrophobicContact CE3-CE1 4.33Å; W249-F251 HydrophobicContact CE3-CZ 4.1Å; F251-E256 HydrophobicContact CB-CB 3.95Å; F251-E256 HydrophobicContact CD1-CB 3.79Å; F251-E256 HydrophobicContact CG-CB 4.09Å; F251-L257 HydrophobicContact CB-CB 4.32Å; F251-L257 HydrophobicContact CD2-CB 3.83Å; F251-L257 HydrophobicContact CD2-CD1 3.81Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4.01Å; F251-L257 HydrophobicContact CG-CB 4.26Å; F251-H260 HydrophobicContact CE1-CB 3.98Å; F251-H260 HydrophobicContact CE2-CB 3.69Å; F251-H260 AromaticContact CE2-CD2 3.61Å; F251-H260 AromaticContact CE2-CG 3.56Å; F251-H260 HydrophobicContact CZ-CB 3.33Å; F251-H260 AromaticContact CZ-CD2 3.75Å; F251-H260 AromaticContact CZ-CG 3.24Å; F251-H260 AromaticContact CZ-ND1 3.48Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.35Å |
| 252 | A | 86.4 | Confident | 88 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -82.1 | -20 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R232 Y240 E256 | R232-A252 HydrophobicContact CB-CB 4.13Å; R232-A252 WeakPolarHBondContact CD-O 3.35Å; R232-A252 PolarHBondContact NH1-O 3.31Å; Y240-A252 WeakPolarHBondContact CE2-O 3.35Å; A252-E256 PolarHBondContact N-OE2 2.84Å |
| 253 | R | 85.3 | Confident | 87.8 | Confident | 111 Ų | 111 | 74.3 Ų | 74.3 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -132.7 | 153 | 179.9 | -55.8 | 169.8 | 42.2 | 154.7 | -6.2 | 112.9 | A229 D255 E256 L257 | A229-R253 HydrophobicContact CB-CG 4.37Å; R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 3.12Å; R253-D255 IonicContact CZ-OD2 3.67Å; R253-D255 IonicContact NE-OD1 3.8Å; R253-D255 PolarHBondContact NE-OD1 3.4Å; R253-D255 IonicContact NE-OD2 2.81Å; R253-D255 IonicContact NH2-OD1 2.84Å; R253-D255 PolarHBondContact NH2-OD1 3.47Å; R253-D255 VanDerWaalsContact NH2-OD1 3.14Å; R253-D255 IonicContact NH2-OD2 3.51Å; R253-D255 PolarHBondContact NH2-OD2 3.48Å; R253-E256 HydrophobicContact CB-CB 4.44Å; R253-E256 HydrophobicContact CB-CG 4.01Å; R253-E256 WeakPolarHBondContact CD-OE1 3.33Å; R253-E256 PolarHBondContact N-OE2 2.98Å; R253-E256 VanDerWaalsContact N-OE2 3.1Å; R253-E256 WeakPolarHBondContact O-CB 3.43Å; R253-E256 PolarHBondContact O-N 2.64Å; R253-L257 PolarHBondContact O-N 3.3Å |
| 254 | S | 87.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 73 Ų | 73 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.5 | -32.6 | -179.3 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | E256 L257 T258 | S254-E256 VanDerWaalsContact C-N 3.33Å; S254-L257 PolarHBondContact O-N 3.41Å; S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.19Å |
| 255 | D | 85.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 40% | 0.401 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70 | -31.8 | 176.3 | 62.4 | -54 | 0 | 0 | 0 | 112.1 | R253 T258 R259 | R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 3.12Å; R253-D255 IonicContact CZ-OD2 3.67Å; R253-D255 IonicContact NE-OD1 3.8Å; R253-D255 PolarHBondContact NE-OD1 3.4Å; R253-D255 IonicContact NE-OD2 2.81Å; R253-D255 IonicContact NH2-OD1 2.84Å; R253-D255 PolarHBondContact NH2-OD1 3.47Å; R253-D255 VanDerWaalsContact NH2-OD1 3.14Å; R253-D255 IonicContact NH2-OD2 3.51Å; R253-D255 PolarHBondContact NH2-OD2 3.48Å; D255-T258 PolarHBondContact O-N 3.5Å; D255-R259 WeakPolarHBondContact O-CB 3.42Å; D255-R259 PolarHBondContact O-N 3.41Å |
| 256 | E | 86.3 | Confident | 87.2 | Confident | 50 Ų | 50 | 64 Ų | 64 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 171.7 | -66.1 | 167.8 | 172.4 | 0 | 0 | 111.2 | F251 A252 R253 S254 R259 H260 | F251-E256 HydrophobicContact CB-CB 3.95Å; F251-E256 HydrophobicContact CD1-CB 3.79Å; F251-E256 HydrophobicContact CG-CB 4.09Å; A252-E256 PolarHBondContact N-OE2 2.84Å; R253-E256 HydrophobicContact CB-CB 4.44Å; R253-E256 HydrophobicContact CB-CG 4.01Å; R253-E256 WeakPolarHBondContact CD-OE1 3.33Å; R253-E256 PolarHBondContact N-OE2 2.98Å; R253-E256 VanDerWaalsContact N-OE2 3.1Å; R253-E256 WeakPolarHBondContact O-CB 3.43Å; R253-E256 PolarHBondContact O-N 2.64Å; S254-E256 VanDerWaalsContact C-N 3.33Å; E256-R259 PolarHBondContact O-N 3.21Å; E256-H260 WeakPolarHBondContact O-CB 3.33Å; E256-H260 PolarHBondContact O-N 2.89Å |
| 257 | L | 89.9 | Confident | 87.1 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.5 | 172.3 | 62 | 0 | 0 | 0 | 111.1 | C242 F251 R253 S254 R259 H260 Y261 | C242-L257 HydrophobicContact CB-CD1 4.12Å; F251-L257 HydrophobicContact CB-CB 4.32Å; F251-L257 HydrophobicContact CD2-CB 3.83Å; F251-L257 HydrophobicContact CD2-CD1 3.81Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4.01Å; F251-L257 HydrophobicContact CG-CB 4.26Å; R253-L257 PolarHBondContact O-N 3.3Å; S254-L257 PolarHBondContact O-N 3.41Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.44Å; L257-H260 WeakPolarHBondContact O-CB 3.44Å; L257-H260 PolarHBondContact O-N 3.4Å; L257-H260 VanDerWaalsContact O-N 3.15Å; L257-Y261 WeakPolarHBondContact O-CB 3.45Å; L257-Y261 PolarHBondContact O-N 2.92Å |
| 258 | T | 88.1 | Confident | 87.1 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | S254 D255 Y261 R262 | S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.19Å; D255-T258 PolarHBondContact O-N 3.5Å; T258-Y261 PolarHBondContact O-N 3.35Å; T258-R262 PolarHBondContact O-N 2.97Å |
| 259 | R | 85.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.4 | 178.6 | 179.1 | 59.5 | -170.2 | -3.9 | 111.5 | D255 E256 L257 Y261 R262 | D255-R259 WeakPolarHBondContact O-CB 3.42Å; D255-R259 PolarHBondContact O-N 3.41Å; E256-R259 PolarHBondContact O-N 3.21Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.44Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; R259-R262 WeakPolarHBondContact O-CB 3.18Å; R259-R262 PolarHBondContact O-N 3.44Å |
| 260 | H | 88.6 | Confident | 87 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175 | 171.9 | 84.4 | 0 | 0 | 0 | 111.6 | C242 C247 W249 F251 E256 L257 R262 K263 H264 | C242-H260 VanDerWaalsContact SG-CD2 3.57Å; C247-H260 PolarHBondContact SG-NE2 3.38Å; W249-H260 AromaticContact CG-CE1 3.95Å; F251-H260 HydrophobicContact CE1-CB 3.98Å; F251-H260 HydrophobicContact CE2-CB 3.69Å; F251-H260 AromaticContact CE2-CD2 3.61Å; F251-H260 AromaticContact CE2-CG 3.56Å; F251-H260 HydrophobicContact CZ-CB 3.33Å; F251-H260 AromaticContact CZ-CD2 3.75Å; F251-H260 AromaticContact CZ-CG 3.24Å; F251-H260 AromaticContact CZ-ND1 3.48Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.35Å; E256-H260 WeakPolarHBondContact O-CB 3.33Å; E256-H260 PolarHBondContact O-N 2.89Å; L257-H260 WeakPolarHBondContact O-CB 3.44Å; L257-H260 PolarHBondContact O-N 3.4Å; L257-H260 VanDerWaalsContact O-N 3.15Å; H260-R262 PolarHBondContact O-N 2.94Å; H260-K263 WeakPolarHBondContact O-CA 3.48Å; H260-K263 WeakPolarHBondContact O-CB 3.34Å; H260-K263 WeakPolarHBondContact O-CG 3.31Å; H260-K263 PolarHBondContact O-N 3.39Å; H260-H264 AromaticContact CD2-NE2 3.86Å; H260-H264 AromaticContact CE1-NE2 3.86Å; H260-H264 AromaticContact NE2-CD2 3.89Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.29Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å |
| 261 | Y | 86.1 | Confident | 87 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -28.1 | 178.4 | -151.6 | -92.5 | 0 | 0 | 0 | 113.2 | P89 W244 L257 T258 R259 K263 H264 T265 | P89-Y261 HydrophobicContact CB-CE1 3.99Å; W244-Y261 HydrophobicContact CE3-CE1 4.35Å; W244-Y261 HydrophobicContact CE3-CE2 4.15Å; W244-Y261 AromaticContact CE3-CZ 3.85Å; W244-Y261 HydrophobicContact CZ3-CE1 4.42Å; L257-Y261 WeakPolarHBondContact O-CB 3.45Å; L257-Y261 PolarHBondContact O-N 2.92Å; T258-Y261 PolarHBondContact O-N 3.35Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-K263 PolarHBondContact O-N 3.24Å; Y261-H264 PolarHBondContact O-N 3.42Å; Y261-T265 HydrophobicContact CD1-CG2 3.85Å; Y261-T265 HydrophobicContact CE1-CG2 3.73Å; Y261-T265 PolarHBondContact O-N 3.03Å; Y261-T265 VanDerWaalsContact O-N 3.15Å; Y261-T265 PolarHBondContact O-OG1 2.93Å |
| 262 | R | 87.6 | Confident | 87.1 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -24.2 | 171.2 | -65.6 | -179.8 | -176.3 | 153.5 | 6.5 | 113 | T258 R259 H260 T265 G266 A267 S280 | T258-R262 PolarHBondContact O-N 2.97Å; R259-R262 WeakPolarHBondContact O-CB 3.18Å; R259-R262 PolarHBondContact O-N 3.44Å; H260-R262 PolarHBondContact O-N 2.94Å; R262-T265 WeakPolarHBondContact CA-OG1 3.23Å; R262-G266 VanDerWaalsContact O-CA 3.31Å; R262-G266 WeakPolarHBondContact O-CA 3.48Å; R262-G266 PolarHBondContact O-N 2.92Å; R262-A267 HydrophobicContact CG-CB 4.33Å; R262-A267 PolarHBondContact O-N 3.48Å; R262-S280 PolarHBondContact NH1-O 3.48Å |
| 263 | K | 85.7 | Confident | 87.4 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.4 | -36 | 175.5 | -57.8 | -176.4 | 176.3 | -175.7 | 0 | 111.9 | D59 H260 Y261 | D59-K263 WeakPolarHBondContact O-CE 3.41Å; D59-K263 PolarHBondContact O-NZ 3.34Å; H260-K263 WeakPolarHBondContact O-CA 3.48Å; H260-K263 WeakPolarHBondContact O-CB 3.34Å; H260-K263 WeakPolarHBondContact O-CG 3.31Å; H260-K263 PolarHBondContact O-N 3.39Å; Y261-K263 PolarHBondContact O-N 3.24Å |
| 264 | H | 86.8 | Confident | 87.5 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.3 | -42.4 | 176 | -66.6 | -59 | 0 | 0 | 0 | 112.3 | W244 C247 H260 Y261 | W244-H264 AromaticContact CD1-CE1 3.64Å; W244-H264 AromaticContact CD1-CG 3.94Å; W244-H264 AromaticContact CD1-ND1 3.49Å; W244-H264 HydrophobicContact CD2-CB 3.41Å; W244-H264 VanDerWaalsContact CD2-CB 3.41Å; W244-H264 AromaticContact CD2-CD2 3.94Å; W244-H264 AromaticContact CD2-CG 3.45Å; W244-H264 VanDerWaalsContact CD2-CG 3.45Å; W244-H264 AromaticContact CD2-ND1 3.78Å; W244-H264 AromaticContact CE2-CG 3.86Å; W244-H264 AromaticContact CE2-ND1 3.85Å; W244-H264 HydrophobicContact CE3-CB 3.35Å; W244-H264 AromaticContact CE3-CG 3.82Å; W244-H264 HydrophobicContact CG-CB 4.06Å; W244-H264 AromaticContact CG-CD2 3.66Å; W244-H264 AromaticContact CG-CE1 3.72Å; W244-H264 AromaticContact CG-CG 3.52Å; W244-H264 AromaticContact CG-ND1 3.56Å; W244-H264 AromaticContact CG-NE2 3.81Å; W244-H264 HydrophobicContact CH2-CB 3.8Å; W244-H264 HydrophobicContact CZ2-CB 3.87Å; W244-H264 HydrophobicContact CZ3-CB 3.55Å; W244-H264 AromaticContact NE1-ND1 3.68Å; C247-H264 PolarHBondContact SG-NE2 3.17Å; H260-H264 AromaticContact CD2-NE2 3.86Å; H260-H264 AromaticContact CE1-NE2 3.86Å; H260-H264 AromaticContact NE2-CD2 3.89Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.29Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å; Y261-H264 PolarHBondContact O-N 3.42Å |
| 265 | T | 85 | Confident | 87.7 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -85.5 | -14.5 | -175.6 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | W244 Y261 R262 A267 | W244-T265 HydrophobicContact CZ3-CG2 3.97Å; Y261-T265 HydrophobicContact CD1-CG2 3.85Å; Y261-T265 HydrophobicContact CE1-CG2 3.73Å; Y261-T265 PolarHBondContact O-N 3.03Å; Y261-T265 VanDerWaalsContact O-N 3.15Å; Y261-T265 PolarHBondContact O-OG1 2.93Å; R262-T265 WeakPolarHBondContact CA-OG1 3.23Å; T265-A267 PolarHBondContact O-N 3.27Å; T265-A267 WeakPolarHBondContact OG1-CB 3.36Å |
| 266 | G | 85.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 61 Ų | 61 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | trans | 64.8 | 14.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R262 K268 | R262-G266 VanDerWaalsContact O-CA 3.31Å; R262-G266 WeakPolarHBondContact O-CA 3.48Å; R262-G266 PolarHBondContact O-N 2.92Å; G266-K268 PolarHBondContact O-N 3.23Å | ||
| 267 | A | 86.4 | Confident | 87.7 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | trans | -67 | 122.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | R262 T265 P269 | R262-A267 HydrophobicContact CG-CB 4.33Å; R262-A267 PolarHBondContact O-N 3.48Å; T265-A267 PolarHBondContact O-N 3.27Å; T265-A267 WeakPolarHBondContact OG1-CB 3.36Å; A267-P269 WeakPolarHBondContact O-CD 3.43Å | ||
| 268 | K | 87.9 | Confident | 87.6 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | trans | -121.8 | 78.7 | 177.9 | -64.9 | -172.2 | -179.6 | -151.5 | 0 | 110.6 | D57 G266 F270 C278 F279 | D57-K268 WeakPolarHBondContact OD2-CE 3.4Å; D57-K268 IonicContact OD2-NZ 3.4Å; D57-K268 PolarHBondContact OD2-NZ 3.32Å; G266-K268 PolarHBondContact O-N 3.23Å; K268-F270 PolarHBondContact O-N 2.83Å; K268-C278 HydrophobicContact CB-CB 3.75Å; K268-C278 HydrophobicContact CD-CB 4.39Å; K268-C278 WeakPolarHBondContact CD-O 3.37Å; K268-F279 CarbonylContact C-O 3.29Å; K268-F279 VanDerWaalsContact C-O 3.29Å; K268-F279 WeakPolarHBondContact CA-O 3.41Å | ||
| 269 | P | 86.4 | Confident | 87.6 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | trans | -72.5 | -13.3 | -171.3 | 28 | -33.6 | 0 | 0 | 0 | 114.1 | A267 | A267-P269 WeakPolarHBondContact O-CD 3.43Š| ||
| 270 | F | 89 | Confident | 87.6 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 98.3 | -174.7 | -58.2 | -77.5 | 0 | 0 | 0 | 110.8 | K268 C278 F279 S280 R281 L285 | K268-F270 PolarHBondContact O-N 2.83Å; F270-C278 CarbonylContact O-C 3.57Å; F270-C278 WeakPolarHBondContact O-CA 3.3Å; F270-F279 HydrophobicContact CB-CB 4.18Å; F270-F279 WeakPolarHBondContact CB-O 3.39Å; F270-F279 WeakPolarHBondContact CD2-O 3.21Å; F270-F279 PolarHBondContact N-O 3.34Å; F270-F279 PolarHBondContact O-N 3.45Å; F270-S280 WeakPolarHBondContact CE2-O 3.49Å; F270-R281 VanDerWaalsContact CD2-CA 3.4Å; F270-R281 VanDerWaalsContact CE2-CA 3.47Å; F270-L285 HydrophobicContact CB-CB 4.21Å; F270-L285 HydrophobicContact CB-CD2 4.02Å |
| 271 | K | 90.2 | Very high | 87.5 | Confident | 112 Ų | 112 | 63.5 Ų | 63.5 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 140.7 | 178.2 | -173.5 | 176.7 | 178 | -176 | 0 | 111.7 | ||
| 272 | C | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | trans | -75.8 | 138.2 | 168 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | H274 C275 R277 F279 L285 M289 | C272-H274 PolarHBondContact SG-N 3.4Å; C272-C275 CarbonylContact C-O 3.5Å; C272-C275 WeakPolarHBondContact CB-O 3.31Å; C272-C275 PolarHBondContact SG-N 3.03Å; C272-C275 PolarHBondContact SG-SG 2.74Å; C272-R277 VanDerWaalsContact CB-O 3.24Å; C272-R277 WeakPolarHBondContact CB-O 3.25Å; C272-R277 PolarHBondContact N-O 2.88Å; C272-F279 HydrophobicContact CB-CE2 4.4Å; C272-L285 HydrophobicContact CB-CD1 4.06Å; C272-M289 HydrophobicContact CB-CE 3.74Å; C272-M289 WeakPolarHBondContact SG-CE 3.3Å | ||
| 273 | N | 91.1 | Very high | 87.7 | Confident | 149 Ų | 149 | 65.4 Ų | 65.4 | 80% | 0.797 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -86.8 | -14.6 | 178 | -66.6 | -15.9 | 0 | 0 | 0 | 113.2 | ||
| 274 | H | 88.9 | Confident | 87.8 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -100.9 | -17.6 | -179.1 | -64.2 | -72.7 | 0 | 0 | 0 | 113.2 | C272 H292 | C272-H274 PolarHBondContact SG-N 3.4Å; H274-H292 HydrophobicContact CB-CB 4.31Å |
| 275 | C | 90.4 | Very high | 88 | Confident | 39 Ų | 39 | 61 Ų | 61 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -152.2 | 169.5 | 176.1 | 72 | 0 | 0 | 0 | 0 | 111.3 | C272 R277 H288 | C272-C275 CarbonylContact C-O 3.5Å; C272-C275 WeakPolarHBondContact CB-O 3.31Å; C272-C275 PolarHBondContact SG-N 3.03Å; C272-C275 PolarHBondContact SG-SG 2.74Å; C275-R277 PolarHBondContact O-N 3.3Å; C275-H288 PolarHBondContact SG-NE2 2.79Å |
| 276 | D | 87.8 | Confident | 88.2 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -76.9 | 10.6 | -176.3 | -62.9 | -44.1 | 0 | 0 | 0 | 114.7 | ||
| 277 | R | 84.6 | Confident | 88.4 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | trans | -73.4 | 134.8 | 177.8 | -77.6 | -171.1 | 164.1 | 137.8 | -5.1 | 111.2 | C272 C275 F279 | C272-R277 VanDerWaalsContact CB-O 3.24Å; C272-R277 WeakPolarHBondContact CB-O 3.25Å; C272-R277 PolarHBondContact N-O 2.88Å; C275-R277 PolarHBondContact O-N 3.3Å; R277-F279 HydrophobicContact CB-CE2 3.92Å; R277-F279 HydrophobicContact CB-CZ 3.94Å | ||
| 278 | C | 88.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.1 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | C95 K268 F270 | C95-C278 HydrophobicContact CB-CB 3.86Å; C95-C278 WeakPolarHBondContact CB-SG 2.92Å; C95-C278 WeakPolarHBondContact SG-CB 3.37Å; C95-C278 CovalentContact SG-SG 2.03Å; C95-C278 PolarHBondContact SG-SG 2.79Å; K268-C278 HydrophobicContact CB-CB 3.75Å; K268-C278 HydrophobicContact CD-CB 4.39Å; K268-C278 WeakPolarHBondContact CD-O 3.37Å; F270-C278 CarbonylContact O-C 3.57Å; F270-C278 WeakPolarHBondContact O-CA 3.3Å |
| 279 | F | 86.9 | Confident | 88.6 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.5 | -176.2 | -57.5 | -88.4 | 0 | 0 | 0 | 110.1 | K268 F270 C272 R277 R281 H284 L285 H288 | K268-F279 CarbonylContact C-O 3.29Å; K268-F279 VanDerWaalsContact C-O 3.29Å; K268-F279 WeakPolarHBondContact CA-O 3.41Å; F270-F279 HydrophobicContact CB-CB 4.18Å; F270-F279 WeakPolarHBondContact CB-O 3.39Å; F270-F279 WeakPolarHBondContact CD2-O 3.21Å; F270-F279 PolarHBondContact N-O 3.34Å; F270-F279 PolarHBondContact O-N 3.45Å; C272-F279 HydrophobicContact CB-CE2 4.4Å; R277-F279 HydrophobicContact CB-CE2 3.92Å; R277-F279 HydrophobicContact CB-CZ 3.94Å; F279-R281 VanDerWaalsContact C-N 3.25Å; F279-H284 HydrophobicContact CB-CB 4.3Å; F279-H284 HydrophobicContact CD1-CB 3.86Å; F279-H284 HydrophobicContact CG-CB 4.32Å; F279-L285 HydrophobicContact CB-CB 4.4Å; F279-L285 HydrophobicContact CD2-CB 3.91Å; F279-L285 HydrophobicContact CD2-CD1 3.68Å; F279-L285 HydrophobicContact CD2-CG 4.42Å; F279-L285 HydrophobicContact CE2-CD1 3.85Å; F279-L285 HydrophobicContact CG-CB 4.28Å; F279-H288 HydrophobicContact CE1-CB 4.03Å; F279-H288 HydrophobicContact CE2-CB 3.94Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.35Å; F279-H288 AromaticContact CE2-CG 3.76Å; F279-H288 HydrophobicContact CZ-CB 3.44Å; F279-H288 VanDerWaalsContact CZ-CB 3.44Å; F279-H288 AromaticContact CZ-CD2 3.43Å; F279-H288 VanDerWaalsContact CZ-CD2 3.43Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.32Å; F279-H288 AromaticContact CZ-CG 3.29Å; F279-H288 AromaticContact CZ-ND1 3.89Å |
| 280 | S | 86.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 68 Ų | 68 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -71.5 | -20.5 | 171.5 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | D59 R262 F270 | D59-S280 WeakPolarHBondContact OD2-CB 3.39Å; D59-S280 PolarHBondContact OD2-OG 3.24Å; R262-S280 PolarHBondContact NH1-O 3.48Å; F270-S280 WeakPolarHBondContact CE2-O 3.49Å |
| 281 | R | 87.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -138 | 149.9 | -175.2 | -60.4 | 159.2 | 59.3 | 163.7 | -5 | 113.7 | D59 F270 F279 D283 H284 L285 | D59-R281 WeakPolarHBondContact OD1-CD 3.42Å; D59-R281 IonicContact OD1-CZ 3.63Å; D59-R281 IonicContact OD1-NE 2.84Å; D59-R281 IonicContact OD1-NH1 2.68Å; D59-R281 PolarHBondContact OD1-NH1 2.86Å; F270-R281 VanDerWaalsContact CD2-CA 3.4Å; F270-R281 VanDerWaalsContact CE2-CA 3.47Å; F279-R281 VanDerWaalsContact C-N 3.25Å; R281-D283 WeakPolarHBondContact CB-OD1 3.3Å; R281-D283 IonicContact CZ-OD1 3.73Å; R281-D283 IonicContact CZ-OD2 3.47Å; R281-D283 IonicContact NE-OD1 3.95Å; R281-D283 PolarHBondContact NE-OD1 3.4Å; R281-D283 IonicContact NE-OD2 3.8Å; R281-D283 IonicContact NH2-OD1 3.68Å; R281-D283 IonicContact NH2-OD2 2.71Å; R281-D283 PolarHBondContact NH2-OD2 2.93Å; R281-H284 PolarHBondContact NE-NE2 3.3Å; R281-L285 PolarHBondContact O-N 3.31Å |
| 282 | S | 88.8 | Confident | 88.6 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.8 | -33.4 | -178.9 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | L285 A286 | S282-L285 PolarHBondContact O-N 3.25Å; S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.28Å |
| 283 | D | 87.4 | Confident | 88.1 | Confident | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 178 | 59 | -33.6 | 0 | 0 | 0 | 111.6 | R281 A286 L287 | R281-D283 WeakPolarHBondContact CB-OD1 3.3Å; R281-D283 IonicContact CZ-OD1 3.73Å; R281-D283 IonicContact CZ-OD2 3.47Å; R281-D283 IonicContact NE-OD1 3.95Å; R281-D283 PolarHBondContact NE-OD1 3.4Å; R281-D283 IonicContact NE-OD2 3.8Å; R281-D283 IonicContact NH2-OD1 3.68Å; R281-D283 IonicContact NH2-OD2 2.71Å; R281-D283 PolarHBondContact NH2-OD2 2.93Å; D283-A286 PolarHBondContact O-N 3.38Å; D283-L287 WeakPolarHBondContact O-CG 3.27Å; D283-L287 PolarHBondContact O-N 3.22Å |
| 284 | H | 88.6 | Confident | 88 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 172.6 | -66.1 | -169.5 | 0 | 0 | 0 | 111.2 | D57 D59 F279 R281 A286 L287 H288 | D57-H284 IonicContact OD1-ND1 2.98Å; D59-H284 IonicContact OD1-CE1 3.44Å; D59-H284 PolarHBondContact OD1-CE1 3.47Å; D59-H284 IonicContact OD1-ND1 3.14Å; D59-H284 IonicContact OD1-NE2 3.55Å; F279-H284 HydrophobicContact CB-CB 4.3Å; F279-H284 HydrophobicContact CD1-CB 3.86Å; F279-H284 HydrophobicContact CG-CB 4.32Å; R281-H284 PolarHBondContact NE-NE2 3.3Å; H284-A286 VanDerWaalsContact C-N 3.33Å; H284-A286 PolarHBondContact O-N 3.28Å; H284-L287 PolarHBondContact O-N 3.17Å; H284-H288 WeakPolarHBondContact O-CB 3.12Å; H284-H288 PolarHBondContact O-N 3.21Å |
| 285 | L | 90.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 172.1 | 175.8 | 68 | 0 | 0 | 0 | 111.1 | F270 C272 F279 R281 S282 L287 H288 M289 | F270-L285 HydrophobicContact CB-CB 4.21Å; F270-L285 HydrophobicContact CB-CD2 4.02Å; C272-L285 HydrophobicContact CB-CD1 4.06Å; F279-L285 HydrophobicContact CB-CB 4.4Å; F279-L285 HydrophobicContact CD2-CB 3.91Å; F279-L285 HydrophobicContact CD2-CD1 3.68Å; F279-L285 HydrophobicContact CD2-CG 4.42Å; F279-L285 HydrophobicContact CE2-CD1 3.85Å; F279-L285 HydrophobicContact CG-CB 4.28Å; R281-L285 PolarHBondContact O-N 3.31Å; S282-L285 PolarHBondContact O-N 3.25Å; L285-L287 PolarHBondContact O-N 3.04Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 WeakPolarHBondContact O-CB 3.43Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-H288 VanDerWaalsContact O-N 3.16Å; L285-M289 HydrophobicContact CD1-CE 3.36Å; L285-M289 HydrophobicContact CD1-SD 4.36Å; L285-M289 HydrophobicContact CG-CE 4.24Å; L285-M289 HydrophobicContact CG-CG 4.46Å; L285-M289 WeakPolarHBondContact O-CG 3.32Å; L285-M289 PolarHBondContact O-N 3.41Å |
| 286 | A | 89.6 | Confident | 87.8 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S282 D283 H284 M289 | S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.28Å; D283-A286 PolarHBondContact O-N 3.38Å; H284-A286 VanDerWaalsContact C-N 3.33Å; H284-A286 PolarHBondContact O-N 3.28Å; A286-M289 PolarHBondContact O-N 3.26Å |
| 287 | L | 89.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 74.5 Ų | 74.5 | 55% | 0.55 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 172.8 | -71.7 | 173.8 | 0 | 0 | 0 | 111.6 | D283 H284 L285 M289 K290 | D283-L287 WeakPolarHBondContact O-CG 3.27Å; D283-L287 PolarHBondContact O-N 3.22Å; H284-L287 PolarHBondContact O-N 3.17Å; L285-L287 PolarHBondContact O-N 3.04Å; L287-M289 VanDerWaalsContact C-N 3.35Å; L287-M289 PolarHBondContact O-N 3.19Å; L287-K290 HydrophobicContact CD2-CD 4.44Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 3.06Å |
| 288 | H | 89.1 | Confident | 88 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.1 | 174.6 | 64.5 | 0 | 0 | 0 | 112.4 | C275 F279 H284 L285 K290 R291 H292 | C275-H288 PolarHBondContact SG-NE2 2.79Å; F279-H288 HydrophobicContact CE1-CB 4.03Å; F279-H288 HydrophobicContact CE2-CB 3.94Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.35Å; F279-H288 AromaticContact CE2-CG 3.76Å; F279-H288 HydrophobicContact CZ-CB 3.44Å; F279-H288 VanDerWaalsContact CZ-CB 3.44Å; F279-H288 AromaticContact CZ-CD2 3.43Å; F279-H288 VanDerWaalsContact CZ-CD2 3.43Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.32Å; F279-H288 AromaticContact CZ-CG 3.29Å; F279-H288 AromaticContact CZ-ND1 3.89Å; H284-H288 WeakPolarHBondContact O-CB 3.12Å; H284-H288 PolarHBondContact O-N 3.21Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 WeakPolarHBondContact O-CB 3.43Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-H288 VanDerWaalsContact O-N 3.16Å; H288-K290 PolarHBondContact O-N 3.22Å; H288-R291 VanDerWaalsContact O-CB 3.31Å; H288-R291 WeakPolarHBondContact O-CB 3.02Å; H288-R291 PolarHBondContact O-N 3.19Å; H288-H292 AromaticContact CD2-NE2 3.78Å; H288-H292 AromaticContact CE1-NE2 3.3Å; H288-H292 PolarHBondContact CE1-NE2 3.26Å; H288-H292 VanDerWaalsContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-CE1 3.99Å; H288-H292 AromaticContact NE2-NE2 2.93Å; H288-H292 PolarHBondContact NE2-NE2 3.44Å |
| 289 | M | 89 | Confident | 88 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.3 | -33 | 177.1 | -71.6 | -52.4 | 92.9 | 0 | 0 | 112.3 | C272 L285 A286 L287 R291 H292 | C272-M289 HydrophobicContact CB-CE 3.74Å; C272-M289 WeakPolarHBondContact SG-CE 3.3Å; L285-M289 HydrophobicContact CD1-CE 3.36Å; L285-M289 HydrophobicContact CD1-SD 4.36Å; L285-M289 HydrophobicContact CG-CE 4.24Å; L285-M289 HydrophobicContact CG-CG 4.46Å; L285-M289 WeakPolarHBondContact O-CG 3.32Å; L285-M289 PolarHBondContact O-N 3.41Å; A286-M289 PolarHBondContact O-N 3.26Å; L287-M289 VanDerWaalsContact C-N 3.35Å; L287-M289 PolarHBondContact O-N 3.19Å; M289-R291 PolarHBondContact O-N 2.56Å; M289-R291 VanDerWaalsContact O-N 3.1Å; M289-H292 PolarHBondContact O-N 3.08Å |
| 290 | K | 92.1 | Very high | 88 | Confident | 143 Ų | 143 | 77.9 Ų | 77.9 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.3 | 176.9 | -62.1 | -179.6 | -179.8 | -179.5 | 0 | 113.8 | L287 H288 H292 | L287-K290 HydrophobicContact CD2-CD 4.44Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 3.06Å; H288-K290 PolarHBondContact O-N 3.22Å; K290-H292 VanDerWaalsContact C-N 3.35Å |
| 291 | R | 89.8 | Confident | 88.2 | Confident | 197 Ų | 197 | 83.3 Ų | 83.3 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.5 | 177.7 | -57.2 | 173.4 | 60.3 | 116 | 2.4 | 112.9 | H288 M289 | H288-R291 VanDerWaalsContact O-CB 3.31Å; H288-R291 WeakPolarHBondContact O-CB 3.02Å; H288-R291 PolarHBondContact O-N 3.19Å; M289-R291 PolarHBondContact O-N 2.56Å; M289-R291 VanDerWaalsContact O-N 3.1Å |
| 292 | H | 84.8 | Confident | 88.2 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | trans | -102.6 | 1.4 | 176.9 | -64.7 | -69.1 | 0 | 0 | 0 | 112.8 | H274 H288 M289 K290 | H274-H292 HydrophobicContact CB-CB 4.31Å; H288-H292 AromaticContact CD2-NE2 3.78Å; H288-H292 AromaticContact CE1-NE2 3.3Å; H288-H292 PolarHBondContact CE1-NE2 3.26Å; H288-H292 VanDerWaalsContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-CE1 3.99Å; H288-H292 AromaticContact NE2-NE2 2.93Å; H288-H292 PolarHBondContact NE2-NE2 3.44Å; M289-H292 PolarHBondContact O-N 3.08Å; K290-H292 VanDerWaalsContact C-N 3.35Å | ||
| 293 | I | 79.8 | Confident | 88.2 | Confident | 195 Ų | 195 | 88 Ų | 88 | 100% | 1 | 43% | 0.428 | S | S | * | . | trans | -107.1 | 0 | 176.9 | -57 | 172.2 | 0 | 0 | 0 | 107.3 |
Retrieved 293 of 293 residues in 58.5 ms
(Link to these results)