| 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 | 48.6 | Very low | 52 | Low | 209 Ų | 209 | 101.4 Ų | 101.4 | 100% | 1.03 | 58% | 0.577 | S | S | * | * | 0 | -42.1 | 0 | -68.9 | -172.5 | -178.8 | 0 | 0 | 113.5 | D4 | M1-D4 VanDerWaalsContact C-OD2 3.24Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.31Å | |||
| 2 | T | 46.2 | Very low | 52.4 | Low | 124 Ų | 124 | 105.2 Ų | 105.2 | 76% | 0.761 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.7 | -37.9 | 176.4 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 3 | A | 47.8 | Very low | 53.2 | Low | 69 Ų | 69 | 105.2 Ų | 105.2 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L5 L6 S7 | A3-L5 PolarHBondContact O-N 3.41Å; A3-L6 WeakPolarHBondContact O-CB 3.43Å; A3-L6 PolarHBondContact O-N 3.12Å; A3-S7 PolarHBondContact O-N 3.14Å; A3-S7 PolarHBondContact O-OG 3.32Å |
| 4 | D | 48.6 | Very low | 53.4 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | -176.5 | -34.6 | -95.8 | 0 | 0 | 0 | 111.4 | M1 L6 S7 D8 | M1-D4 VanDerWaalsContact C-OD2 3.24Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.31Å; D4-L6 VanDerWaalsContact C-N 3.35Å; D4-S7 WeakPolarHBondContact CA-OG 3.41Å; D4-S7 PolarHBondContact O-OG 2.6Å; D4-D8 WeakPolarHBondContact O-CB 3.49Å; D4-D8 PolarHBondContact O-N 3.49Å |
| 5 | L | 51.6 | Low | 53.5 | Low | 119 Ų | 119 | 99.1 Ų | 99.1 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.2 | -25.8 | 179.6 | -143.6 | 85.9 | 0 | 0 | 0 | 113.3 | A3 L9 | A3-L5 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.02Å |
| 6 | L | 51.3 | Low | 53.6 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -75.5 | -48.8 | 174.1 | -85.5 | 154 | 0 | 0 | 0 | 110.2 | A3 D4 D8 L9 D10 | A3-L6 WeakPolarHBondContact O-CB 3.43Å; A3-L6 PolarHBondContact O-N 3.12Å; D4-L6 VanDerWaalsContact C-N 3.35Å; L6-D8 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-D10 PolarHBondContact O-N 3.17Å |
| 7 | S | 55.6 | Low | 54.2 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58 | -32.4 | 172.8 | 43.8 | 0 | 0 | 0 | 0 | 113 | A3 D4 L9 S11 | A3-S7 PolarHBondContact O-N 3.14Å; A3-S7 PolarHBondContact O-OG 3.32Å; D4-S7 WeakPolarHBondContact CA-OG 3.41Å; D4-S7 PolarHBondContact O-OG 2.6Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-S11 WeakPolarHBondContact O-CB 3.39Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 PolarHBondContact O-OG 2.96Å |
| 8 | D | 51.8 | Low | 54.2 | Low | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.7 | -21.6 | 175.4 | -119.5 | 51.4 | 0 | 0 | 0 | 113.8 | D4 L6 R12 | D4-D8 WeakPolarHBondContact O-CB 3.49Å; D4-D8 PolarHBondContact O-N 3.49Å; L6-D8 PolarHBondContact O-N 3.39Å; D8-R12 WeakPolarHBondContact O-CD 3.34Å; D8-R12 WeakPolarHBondContact O-CG 2.99Å; D8-R12 PolarHBondContact O-NE 3.13Å; D8-R12 IonicContact OD2-CZ 3.76Å; D8-R12 IonicContact OD2-NE 3.47Å; D8-R12 IonicContact OD2-NH2 2.58Å; D8-R12 PolarHBondContact OD2-NH2 3.38Å |
| 9 | L | 56 | Low | 54.3 | Low | 107 Ų | 107 | 96.6 Ų | 96.6 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -87.4 | -43.8 | 174.1 | -74.6 | 167.6 | 0 | 0 | 0 | 111.1 | L5 L6 S7 R12 F13 | L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.48Å; S7-L9 VanDerWaalsContact C-N 3.34Å; L9-R12 PolarHBondContact O-N 3.36Å; L9-F13 WeakPolarHBondContact O-CB 3.26Å; L9-F13 PolarHBondContact O-N 3.42Å |
| 10 | D | 56 | Low | 54.4 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 178.1 | -69.6 | -35.2 | 0 | 0 | 0 | 111.3 | L6 R12 F13 F14 | L6-D10 PolarHBondContact O-N 3.17Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.17Å; D10-F13 CarbonylContact O-C 3.57Å; D10-F13 WeakPolarHBondContact O-CB 3.45Å; D10-F13 PolarHBondContact O-N 3.42Å; D10-F13 VanDerWaalsContact O-N 3.12Å; D10-F14 HydrophobicContact CB-CD2 4.42Å; D10-F14 HydrophobicContact CB-CE2 3.91Å; D10-F14 WeakPolarHBondContact O-CD2 3.21Å; D10-F14 VanDerWaalsContact O-CG 3.3Å; D10-F14 WeakPolarHBondContact O-CG 3.27Å; D10-F14 PolarHBondContact O-N 3.5Å |
| 11 | S | 58.1 | Low | 54.3 | Low | 58 Ų | 58 | 94.3 Ų | 94.3 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | S7 A15 | S7-S11 WeakPolarHBondContact O-CB 3.39Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 PolarHBondContact O-OG 2.96Å; S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 3.16Å |
| 12 | R | 57.5 | Low | 54.6 | Low | 147 Ų | 147 | 91.3 Ų | 91.3 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 172.4 | -68 | 171.1 | -152.2 | -134.7 | 4.2 | 111.3 | D8 L9 D10 F14 A15 D16 | D8-R12 WeakPolarHBondContact O-CD 3.34Å; D8-R12 WeakPolarHBondContact O-CG 2.99Å; D8-R12 PolarHBondContact O-NE 3.13Å; D8-R12 IonicContact OD2-CZ 3.76Å; D8-R12 IonicContact OD2-NE 3.47Å; D8-R12 IonicContact OD2-NH2 2.58Å; D8-R12 PolarHBondContact OD2-NH2 3.38Å; L9-R12 PolarHBondContact O-N 3.36Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.17Å; R12-F14 PolarHBondContact O-N 2.77Å; R12-A15 PolarHBondContact O-N 3.1Å; R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 2.86Å |
| 13 | F | 62.7 | Low | 54.9 | Low | 105 Ų | 105 | 89.7 Ų | 89.7 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 175 | 178.6 | -98.2 | 0 | 0 | 0 | 112.1 | L9 D10 N17 | L9-F13 WeakPolarHBondContact O-CB 3.26Å; L9-F13 PolarHBondContact O-N 3.42Å; D10-F13 CarbonylContact O-C 3.57Å; D10-F13 WeakPolarHBondContact O-CB 3.45Å; D10-F13 PolarHBondContact O-N 3.42Å; D10-F13 VanDerWaalsContact O-N 3.12Å; F13-N17 VanDerWaalsContact O-CB 3.31Å; F13-N17 WeakPolarHBondContact O-CB 3.29Å; F13-N17 PolarHBondContact O-N 3.45Å; F13-N17 PolarHBondContact O-ND2 2.86Å |
| 14 | F | 55.5 | Low | 55.2 | Low | 55 Ų | 55 | 92.7 Ų | 92.7 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.8 | -63.6 | -48.3 | 0 | 0 | 0 | 111.8 | D10 R12 N17 L18 L19 W24 | D10-F14 HydrophobicContact CB-CD2 4.42Å; D10-F14 HydrophobicContact CB-CE2 3.91Å; D10-F14 WeakPolarHBondContact O-CD2 3.21Å; D10-F14 VanDerWaalsContact O-CG 3.3Å; D10-F14 WeakPolarHBondContact O-CG 3.27Å; D10-F14 PolarHBondContact O-N 3.5Å; R12-F14 PolarHBondContact O-N 2.77Å; F14-N17 CarbonylContact O-C 3.56Å; F14-N17 PolarHBondContact O-N 3.43Å; F14-L18 PolarHBondContact O-N 3.1Å; F14-L19 HydrophobicContact CB-CB 4.42Å; F14-L19 HydrophobicContact CD1-CB 4.08Å; F14-L19 HydrophobicContact CD1-CD1 4.22Å; F14-L19 PolarHBondContact O-N 3.01Å; F14-W24 AromaticContact CE1-CD1 3.59Å; F14-W24 HydrophobicContact CE1-CG 4.26Å; F14-W24 AromaticContact CE1-NE1 3.84Å |
| 15 | A | 55.6 | Low | 55.1 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S11 R12 N17 L18 | S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 3.16Å; R12-A15 PolarHBondContact O-N 3.1Å; A15-N17 PolarHBondContact O-N 2.89Å; A15-L18 PolarHBondContact O-N 3.41Å; A15-L18 VanDerWaalsContact O-N 3.16Å |
| 16 | D | 55.6 | Low | 54.9 | Low | 134 Ų | 134 | 89.6 Ų | 89.6 | 72% | 0.717 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.4 | -22.8 | 179 | -77.6 | -16.4 | 0 | 0 | 0 | 112.8 | R12 | R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 2.86Å |
| 17 | N | 62.6 | Low | 54.6 | Low | 63 Ų | 63 | 88.5 Ų | 88.5 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -100.1 | -0.8 | 177.5 | -75.3 | -88.5 | 0 | 0 | 0 | 114.6 | F13 F14 A15 L19 | F13-N17 VanDerWaalsContact O-CB 3.31Å; F13-N17 WeakPolarHBondContact O-CB 3.29Å; F13-N17 PolarHBondContact O-N 3.45Å; F13-N17 PolarHBondContact O-ND2 2.86Å; F14-N17 CarbonylContact O-C 3.56Å; F14-N17 PolarHBondContact O-N 3.43Å; A15-N17 PolarHBondContact O-N 2.89Å; N17-L19 HydrophobicContact CB-CD1 3.9Å; N17-L19 HydrophobicContact CB-CG 4.06Å |
| 18 | L | 54.7 | Low | 54 | Low | 117 Ų | 117 | 89.8 Ų | 89.8 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 45.3 | -174.6 | -56 | 175.3 | 0 | 0 | 0 | 113.3 | F14 A15 I316 | F14-L18 PolarHBondContact O-N 3.1Å; A15-L18 PolarHBondContact O-N 3.41Å; A15-L18 VanDerWaalsContact O-N 3.16Å; L18-I316 HydrophobicContact CD1-CD1 4.35Å |
| 19 | L | 56.7 | Low | 53.6 | Low | 34 Ų | 34 | 93.4 Ų | 93.4 | 18% | 0.178 | 49% | 0.494 | C | S | . | . | trans | -104.6 | 138.9 | 176.2 | -65.3 | 168.7 | 0 | 0 | 0 | 110.4 | F14 N17 | F14-L19 HydrophobicContact CB-CB 4.42Å; F14-L19 HydrophobicContact CD1-CB 4.08Å; F14-L19 HydrophobicContact CD1-CD1 4.22Å; F14-L19 PolarHBondContact O-N 3.01Å; N17-L19 HydrophobicContact CB-CD1 3.9Å; N17-L19 HydrophobicContact CB-CG 4.06Å | ||
| 20 | T | 56.4 | Low | 53 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | trans | -81.6 | 164.1 | 158.4 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | E22 D23 | T20-E22 VanDerWaalsContact C-N 3.25Å; T20-E22 PolarHBondContact O-N 3.09Å; T20-D23 PolarHBondContact OG1-N 3.42Å | ||
| 21 | S | 51.3 | Low | 52 | Low | 80 Ų | 80 | 97.9 Ų | 97.9 | 56% | 0.559 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -63 | -35.8 | 170 | 45.6 | 0 | 0 | 0 | 0 | 111.8 | D23 W24 D25 | S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.25Å; S21-W24 WeakPolarHBondContact O-CB 3.3Å; S21-W24 PolarHBondContact O-N 2.96Å; S21-W24 VanDerWaalsContact O-N 3.12Å; S21-D25 PolarHBondContact O-N 2.76Å |
| 22 | E | 54.9 | Low | 51 | Low | 146 Ų | 146 | 101.8 Ų | 101.8 | 68% | 0.682 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.2 | -33.3 | -177.6 | -59.1 | 168.4 | 135.2 | 0 | 0 | 112.8 | T20 W24 A26 | T20-E22 VanDerWaalsContact C-N 3.25Å; T20-E22 PolarHBondContact O-N 3.09Å; E22-W24 PolarHBondContact O-N 3.05Å; E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.28Å; E22-A26 VanDerWaalsContact O-N 3.15Å |
| 23 | D | 53.3 | Low | 50.1 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -24.5 | 174.4 | -86.1 | -29.9 | 0 | 0 | 0 | 113 | T20 S21 C27 | T20-D23 PolarHBondContact OG1-N 3.42Å; S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.25Å; D23-C27 PolarHBondContact O-SG 3.28Å |
| 24 | W | 52.8 | Low | 49 | Very low | 132 Ų | 132 | 102.7 Ų | 102.7 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.5 | -48.1 | 179.8 | -119.7 | 92.4 | 0 | 0 | 0 | 111.9 | F14 S21 E22 A26 C27 L28 | F14-W24 AromaticContact CE1-CD1 3.59Å; F14-W24 HydrophobicContact CE1-CG 4.26Å; F14-W24 AromaticContact CE1-NE1 3.84Å; S21-W24 WeakPolarHBondContact O-CB 3.3Å; S21-W24 PolarHBondContact O-N 2.96Å; S21-W24 VanDerWaalsContact O-N 3.12Å; E22-W24 PolarHBondContact O-N 3.05Å; W24-A26 VanDerWaalsContact C-N 3.27Å; W24-A26 PolarHBondContact O-N 2.9Å; W24-C27 WeakPolarHBondContact O-CB 3.42Å; W24-C27 PolarHBondContact O-N 2.65Å; W24-L28 HydrophobicContact CE3-CD1 3.95Å; W24-L28 HydrophobicContact CZ3-CD1 4.02Å |
| 25 | D | 47.8 | Very low | 48.4 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -35.7 | 178 | -68.7 | -24.5 | 0 | 0 | 0 | 111.7 | S21 C27 L28 F29 | S21-D25 PolarHBondContact O-N 2.76Å; D25-C27 PolarHBondContact O-N 3.24Å; D25-L28 PolarHBondContact O-N 2.97Å; D25-F29 HydrophobicContact CB-CD2 4.3Å; D25-F29 HydrophobicContact CB-CE2 4.37Å; D25-F29 WeakPolarHBondContact O-CD2 3.44Å; D25-F29 PolarHBondContact O-N 3.43Å; D25-F29 VanDerWaalsContact O-N 3.07Å |
| 26 | A | 47.7 | Very low | 47.5 | Very low | 62 Ų | 62 | 115.2 Ų | 115.2 | 51% | 0.512 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.1 | -17.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E22 W24 | E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.28Å; E22-A26 VanDerWaalsContact O-N 3.15Å; W24-A26 VanDerWaalsContact C-N 3.27Å; W24-A26 PolarHBondContact O-N 2.9Å |
| 27 | C | 43.5 | Very low | 46.5 | Very low | 85 Ų | 85 | 112.1 Ų | 112.1 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -87.8 | -31.7 | 172.9 | -65 | 0 | 0 | 0 | 0 | 113.2 | D23 W24 D25 | D23-C27 PolarHBondContact O-SG 3.28Å; W24-C27 WeakPolarHBondContact O-CB 3.42Å; W24-C27 PolarHBondContact O-N 2.65Å; D25-C27 PolarHBondContact O-N 3.24Å |
| 28 | L | 43.9 | Very low | 45.3 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.4 | -53 | 175.7 | -92.9 | 78.2 | 0 | 0 | 0 | 111.4 | W24 D25 K30 C31 E32 | W24-L28 HydrophobicContact CE3-CD1 3.95Å; W24-L28 HydrophobicContact CZ3-CD1 4.02Å; D25-L28 PolarHBondContact O-N 2.97Å; L28-K30 PolarHBondContact O-N 3.22Å; L28-C31 PolarHBondContact O-N 2.95Å; L28-E32 PolarHBondContact O-N 3.15Å |
| 29 | F | 42.6 | Very low | 44.5 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -10.4 | -177.6 | -78 | -70 | 0 | 0 | 0 | 114.3 | D25 | D25-F29 HydrophobicContact CB-CD2 4.3Å; D25-F29 HydrophobicContact CB-CE2 4.37Å; D25-F29 WeakPolarHBondContact O-CD2 3.44Å; D25-F29 PolarHBondContact O-N 3.43Å; D25-F29 VanDerWaalsContact O-N 3.07Å |
| 30 | K | 43 | Very low | 43.5 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -0.7 | 175 | -153.5 | 169.3 | -166.2 | 80.4 | 0 | 114.5 | L28 | L28-K30 PolarHBondContact O-N 3.22Š|
| 31 | C | 35.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 73% | 0.73 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -30.9 | 168.6 | -78.9 | 0 | 0 | 0 | 0 | 112.1 | L28 | L28-C31 PolarHBondContact O-N 2.95Š|
| 32 | E | 37.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 66% | 0.659 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -77.8 | -26.3 | -173.7 | -154.2 | 155.5 | -139.4 | 0 | 0 | 113.5 | L28 M34 | L28-E32 PolarHBondContact O-N 3.15Å; E32-M34 PolarHBondContact O-N 3.41Å |
| 33 | S | 36.8 | Very low | 40.4 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 34.4 | -176.4 | 82.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 34 | M | 41.1 | Very low | 39.3 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 12.6 | 179.2 | -143.5 | 177.7 | 75.8 | 0 | 0 | 114.8 | E32 | E32-M34 PolarHBondContact O-N 3.41Š|
| 35 | E | 42.5 | Very low | 38.1 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -145 | 52 | 179.2 | -163 | 162.3 | -151.2 | 0 | 0 | 113.3 | ||
| 36 | E | 36.7 | Very low | 37.3 | Very low | 202 Ų | 202 | 136 Ų | 136 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | trans | -153.2 | 158.4 | 156 | -128.3 | 170.1 | -167.1 | 0 | 0 | 110.4 | ||||
| 37 | G | 35.4 | Very low | 36.4 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 172 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D39 | G37-D39 PolarHBondContact O-N 2.92Š| ||
| 38 | E | 36.5 | Very low | 35.5 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 124.6 | 170.1 | -74.6 | 175.2 | 98.5 | 0 | 0 | 110.7 | ||||
| 39 | D | 38.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | -175.3 | 137.8 | 119 | -99.1 | -24.6 | 0 | 0 | 0 | 112.7 | G37 | G37-D39 PolarHBondContact O-N 2.92Š| |||
| 40 | G | 33.9 | Very low | 34.5 | Very low | 78 Ų | 78 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 81.3 | 87.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | F42 | G40-F42 PolarHBondContact O-N 3.45Š| ||
| 41 | D | 32.8 | Very low | 33.8 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -69.8 | 122.3 | 158.6 | 174.1 | 23.2 | 0 | 0 | 0 | 111.2 | ||||
| 42 | F | 30.7 | Very low | 33.4 | Very low | 210 Ų | 210 | 151.4 Ų | 151.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -153.8 | 144.4 | 153 | -106.5 | -70.9 | 0 | 0 | 0 | 111.7 | G40 | G40-F42 PolarHBondContact O-N 3.45Š| ||
| 43 | S | 34.9 | Very low | 32.9 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | -93.8 | 167.7 | -160.2 | -34.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 44 | Q | 30.1 | Very low | 33 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | 80.4 | 71.1 | 152.1 | -156.9 | 169 | 10.7 | 0 | 0 | 118.4 | ||||
| 45 | G | 28.3 | Very low | 32.8 | Very low | 72 Ų | 72 | 153.6 Ų | 153.6 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -76.1 | -158.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 46 | L | 30 | Very low | 32.4 | Very low | 162 Ų | 162 | 153 Ų | 153 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -168.5 | 134 | 160.6 | -105 | 170.2 | 0 | 0 | 0 | 112.2 | ||||
| 47 | K | 28.4 | Very low | 32.5 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | 27.8 | 123.8 | 158.7 | -67 | -175.1 | 176.2 | -173.8 | 0 | 121.9 | ||||
| 48 | Y | 26.3 | Very low | 32.4 | Very low | 223 Ų | 223 | 153.2 Ų | 153.2 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -69.6 | 152.3 | 155.5 | -102.4 | -101.5 | 0 | 0 | 0 | 113.6 | ||||
| 49 | E | 26.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 140.6 | 138 | -111.7 | -66.7 | 104.2 | 0 | 0 | 107.9 | ||||
| 50 | P | 39 | Very low | 32.5 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 60% | 0.597 | 81% | 0.81 | S | S | * | * | trans | -107.2 | 138.1 | -169 | 37.2 | -29.1 | 0 | 0 | 0 | 114.5 | ||||
| 51 | S | 26.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -140.1 | 97.8 | 164.9 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 52 | F | 29.3 | Very low | 33.4 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -106 | 100 | 167.3 | -86.6 | -79.1 | 0 | 0 | 0 | 109.4 | ||||
| 53 | D | 27.4 | Very low | 34.3 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -70 | 144.8 | 166 | -99.5 | -46.5 | 0 | 0 | 0 | 110.7 | ||||
| 54 | N | 38 | Very low | 34.9 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -99.6 | 102.7 | 178.4 | -75.2 | -111.5 | 0 | 0 | 0 | 109.2 | ||||
| 55 | D | 37.3 | Very low | 35.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -172.8 | 121.7 | 142.1 | -107.8 | -23.8 | 0 | 0 | 0 | 112.5 | ||||
| 56 | L | 34.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -153.2 | 87.5 | 160 | -117.4 | 138.4 | 0 | 0 | 0 | 110.3 | L58 | L56-L58 PolarHBondContact O-N 2.88Š| ||
| 57 | V | 38.2 | Very low | 37.1 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 121.1 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | T59 | V57-T59 PolarHBondContact O-N 2.66Š| ||
| 58 | L | 32.7 | Very low | 37.7 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -78.7 | 82.1 | 175.7 | -72.9 | 172.8 | 0 | 0 | 0 | 111.3 | L56 | L56-L58 PolarHBondContact O-N 2.88Š| ||
| 59 | T | 37.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -69 | 126.5 | 170.9 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | V57 D61 | V57-T59 PolarHBondContact O-N 2.66Å; T59-D61 PolarHBondContact O-N 3.2Å; T59-D61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | L | 40.9 | Very low | 39.2 | Very low | 179 Ų | 179 | 147 Ų | 147 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | -82.5 | 82.1 | 175.7 | -69.4 | 169.5 | 0 | 0 | 0 | 110.8 | ||||
| 61 | D | 39.5 | Very low | 39.3 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | trans | -112.3 | 118 | 173.7 | -168.9 | -14.4 | 0 | 0 | 0 | 110.6 | T59 D63 | T59-D61 PolarHBondContact O-N 3.2Å; T59-D61 VanDerWaalsContact O-N 3.14Å; D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.89Å | ||
| 62 | P | 45.3 | Very low | 39.9 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -25.8 | -175 | -25.6 | 35.5 | 0 | 0 | 0 | 116.4 | ||
| 63 | D | 48.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 12.4 | -169 | -81.8 | -51 | 0 | 0 | 0 | 114.5 | D61 R65 | D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.89Å; D63-R65 PolarHBondContact O-N 3.38Å |
| 64 | N | 47.9 | Very low | 40.9 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 56% | 0.561 | 78% | 0.783 | S | S | * | * | trans | -67.6 | 130 | 179.8 | -167 | -1.4 | 0 | 0 | 0 | 112.6 | T66 | N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 PolarHBondContact O-N 3.5Å | ||
| 65 | R | 44.7 | Very low | 40.9 | Very low | 246 Ų | 246 | 154.4 Ų | 154.4 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -3.2 | -164.9 | -71.1 | -173 | 167.7 | -156.6 | -4.6 | 116.1 | D63 | D63-R65 PolarHBondContact O-N 3.38Š|
| 66 | T | 53.2 | Low | 40.9 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 8.4 | -171.9 | -27.5 | 0 | 0 | 0 | 0 | 113.9 | N64 | N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 PolarHBondContact O-N 3.5Å |
| 67 | S | 37.1 | Very low | 41 | Very low | 77 Ų | 77 | 156 Ų | 156 | 54% | 0.538 | 79% | 0.794 | S | S | . | * | trans | -73.6 | 123.5 | -178.4 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | W69 | S67-W69 PolarHBondContact O-N 3.2Š| ||
| 68 | P | 41.1 | Very low | 40.7 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -7 | -173.5 | -26.5 | 35.9 | 0 | 0 | 0 | 117.5 | ||
| 69 | W | 38.8 | Very low | 40.6 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 8.7 | -160.5 | -62.9 | 105.6 | 0 | 0 | 0 | 115.6 | S67 Y71 | S67-W69 PolarHBondContact O-N 3.2Å; W69-Y71 PolarHBondContact O-N 3.01Å |
| 70 | R | 45.3 | Very low | 40.3 | Very low | 222 Ų | 222 | 155 Ų | 155 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -92.9 | 27.6 | -170.2 | -143.7 | -164.7 | -173.9 | -178 | 7.6 | 116.4 | ||||
| 71 | Y | 40.5 | Very low | 39.9 | Very low | 225 Ų | 225 | 153 Ų | 153 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -138.8 | 97.7 | 172.3 | -84.1 | -82.8 | 0 | 0 | 0 | 110.8 | W69 | W69-Y71 PolarHBondContact O-N 3.01Š|
| 72 | L | 40.8 | Very low | 39.4 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -170.5 | -34.9 | 152.3 | -110.4 | 165.8 | 0 | 0 | 0 | 113 | D74 | L72-D74 PolarHBondContact O-N 2.83Š|
| 73 | D | 38.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -97.6 | 77.7 | -178.2 | -77 | -59.7 | 0 | 0 | 0 | 113.3 | ||
| 74 | D | 38.2 | Very low | 38 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -164.6 | 123.3 | 154.3 | -111.5 | -31.9 | 0 | 0 | 0 | 110.1 | L72 | L72-D74 PolarHBondContact O-N 2.83Š| ||
| 75 | N | 37.9 | Very low | 37.1 | Very low | 158 Ų | 158 | 157.9 Ų | 157.9 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 123.1 | 49.2 | 174.7 | -71.5 | -70.7 | 0 | 0 | 0 | 117.8 | ||||
| 76 | L | 37.1 | Very low | 36.5 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -131.7 | 23.6 | 166.3 | -81.4 | -178.9 | 0 | 0 | 0 | 115.9 | ||||
| 77 | L | 36.7 | Very low | 35.4 | Very low | 171 Ų | 171 | 156 Ų | 156 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -138.5 | 76.9 | 170.2 | -80.9 | 178.6 | 0 | 0 | 0 | 113.5 | ||
| 78 | T | 32.2 | Very low | 35 | Very low | 141 Ų | 141 | 161.3 Ų | 161.3 | 87% | 0.865 | 84% | 0.838 | S | S | * | * | trans | -172.5 | 131.3 | 140.7 | -77.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 79 | G | 30.8 | Very low | 34.4 | Very low | 62 Ų | 62 | 161.5 Ų | 161.5 | 64% | 0.639 | 84% | 0.837 | S | S | * | * | trans | -113.4 | 151.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 80 | N | 30.4 | Very low | 33.9 | Very low | 169 Ų | 169 | 157 Ų | 157 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | -164.2 | 159.2 | 155.6 | -96.6 | -32.1 | 0 | 0 | 0 | 110.3 | ||||
| 81 | T | 33.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -110.9 | 142.3 | -167.8 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 82 | S | 29.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -150.8 | 128.9 | 155.8 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 83 | V | 28.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -106.8 | 132.6 | 174 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 84 | I | 35.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -130.7 | 133.3 | 160.1 | -64.2 | -176.7 | 0 | 0 | 0 | 107.8 | ||||
| 85 | K | 29.9 | Very low | 32 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -83.5 | 154.1 | 174.1 | -67.9 | -176.5 | 169.5 | -162.9 | 0 | 110.8 | E87 | K85-E87 IonicContact NZ-OE2 3.95Š| ||
| 86 | N | 30.8 | Very low | 31.9 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -145.4 | 135.8 | 135.5 | -95.3 | -24.9 | 0 | 0 | 0 | 107.9 | ||||
| 87 | E | 29.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | -116.4 | 133.3 | 175 | -69.2 | 177 | 111.6 | 0 | 0 | 108.5 | K85 | K85-E87 IonicContact NZ-OE2 3.95Š| ||
| 88 | M | 29.6 | Very low | 31.8 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -161.2 | 139.3 | 137.2 | -110.2 | 168.8 | -168.7 | 0 | 0 | 112.2 | ||||
| 89 | T | 28.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -49.4 | 156.8 | 169.4 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 90 | L | 27.8 | Very low | 32.4 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | cis | -161.7 | 179.6 | 40.1 | -129.8 | 142.4 | 0 | 0 | 0 | 112.5 | ||||
| 91 | T | 29.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 71.8 | 126.9 | 159.1 | 38.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 92 | E | 29.3 | Very low | 32.1 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 73.3 | 118.2 | 143.5 | -153.4 | 150.2 | -133.4 | 0 | 0 | 121 | ||||
| 93 | P | 33.8 | Very low | 32 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -117.2 | 132.2 | 179.2 | 38.1 | -26.9 | 0 | 0 | 0 | 115.3 | ||||
| 94 | L | 30.3 | Very low | 32.3 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -171.3 | 160.5 | 161.9 | -97.9 | 174.8 | 0 | 0 | 0 | 108.7 | ||||
| 95 | P | 42.5 | Very low | 32.3 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | -121.3 | 158.6 | -50.8 | 29.2 | -12.8 | 0 | 0 | 0 | 112.9 | |||||
| 96 | V | 34.9 | Very low | 32.6 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | trans | -99.5 | 71.8 | 164.5 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 97 | E | 35.2 | Very low | 32.9 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -137.5 | 96.6 | 171.5 | -71.5 | -167.5 | 154.8 | 0 | 0 | 109.9 | ||||
| 98 | M | 36.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 93% | 0.931 | 77% | 0.774 | S | S | * | * | trans | -141.7 | 29.2 | 174.4 | -105 | -72.8 | -73.4 | 0 | 0 | 110.9 | ||||
| 99 | L | 44.8 | Very low | 33 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -152 | 113.3 | 176.7 | -108.1 | 167.9 | 0 | 0 | 0 | 107.9 | ||
| 100 | F | 30.8 | Very low | 33 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 64.9 | 137 | -165.5 | -41.8 | -77.3 | 0 | 0 | 0 | 111.3 | ||||
| 101 | Q | 27.7 | Very low | 33.1 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | -151.3 | 142 | 51.3 | -158.1 | 68 | 36.3 | 0 | 0 | 112.5 | |||||
| 102 | V | 30.4 | Very low | 33.1 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | 33.1 | 123.5 | 151.4 | 177.1 | 0 | 0 | 0 | 0 | 119.6 | A104 | V102-A104 HydrophobicContact CG1-CB 4.34Š| ||
| 103 | K | 25.7 | Very low | 33.1 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -112.6 | 114.9 | 141 | -172.3 | 151 | -173.9 | 171.8 | 0 | 110.3 | ||||
| 104 | A | 35.6 | Very low | 32.8 | Very low | 76 Ų | 76 | 138 Ų | 138 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 159.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V102 | V102-A104 HydrophobicContact CG1-CB 4.34Š|
| 105 | E | 34.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.1 | -177.5 | -177.9 | 179.3 | 179.8 | 0 | 0 | 113 | ||
| 106 | P | 36.6 | Very low | 32.2 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -90 | 153.1 | 158.6 | 35.6 | -30.2 | 0 | 0 | 0 | 111 | ||
| 107 | P | 37 | Very low | 31.8 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 156.5 | -154.8 | 32.5 | -38.4 | 0 | 0 | 0 | 116.1 | ||
| 108 | S | 28.2 | Very low | 31.5 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.6 | 171.4 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 109 | P | 34.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 164.7 | 160.8 | 33.3 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 110 | A | 27.8 | Very low | 30.6 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -111.2 | 142.5 | -168 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 111 | S | 30.4 | Very low | 30.5 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 48.6 | 113.6 | 143.2 | -54.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 112 | S | 28.7 | Very low | 31.2 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -148.1 | 130.2 | 139.4 | 48.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 113 | L | 29.6 | Very low | 31.1 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | cis | 88.6 | 139.7 | 43.2 | -90.5 | 169.3 | 0 | 0 | 0 | 115 | ||||
| 114 | E | 27.7 | Very low | 32 | Very low | 169 Ų | 169 | 118.8 Ų | 118.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 67.4 | 133.7 | 176.2 | -62.7 | 161.1 | 166.5 | 0 | 0 | 113.7 | ||||
| 115 | S | 30.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | 76.3 | 146 | 39 | 100.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 116 | D | 28 | Very low | 31.5 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -157.8 | 166.3 | 22.9 | -124.6 | -53.1 | 0 | 0 | 0 | 115.8 | ||||
| 117 | C | 26.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 121 Ų | 121 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | trans | 48.5 | 112 | 147.3 | -77.5 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 118 | S | 29.3 | Very low | 30.7 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 86.7 | 153.9 | 107.1 | -61.3 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 119 | T | 29.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | 79.9 | 141.5 | 173 | 72.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 120 | S | 32.2 | Very low | 30.4 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | cis | -141.3 | 177.4 | 4.2 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 121 | S | 30 | Very low | 30.4 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -105.9 | 166.7 | -171.6 | -156.7 | 0 | 0 | 0 | 0 | 112.3 | D123 | S121-D123 PolarHBondContact OG-N 3.5Š| ||
| 122 | P | 42.4 | Very low | 30.5 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -137.6 | 144.6 | 77.6 | 35.7 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 123 | D | 28.9 | Very low | 32 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | trans | -110.3 | 149.9 | 167 | 174.5 | 55.8 | 0 | 0 | 0 | 110.4 | S121 | S121-D123 PolarHBondContact OG-N 3.5Š| ||
| 124 | P | 43.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | -140.5 | 148.9 | 114.6 | 29 | -11.6 | 0 | 0 | 0 | 113.6 | |||||
| 125 | Q | 28.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -166.1 | 155.9 | 10.3 | -121.1 | 173 | 33.8 | 0 | 0 | 112.2 | ||||
| 126 | V | 30.6 | Very low | 34.2 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 72.7 | 129.1 | 146.6 | 166.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 127 | T | 30.4 | Very low | 35.1 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -170.2 | 132.3 | -3.1 | -101.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 128 | I | 27.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 52.1 | 129.6 | 143.7 | -56.6 | 177.7 | 0 | 0 | 0 | 118.3 | ||||
| 129 | K | 28.4 | Very low | 35.2 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | cis | -155.4 | 159.2 | 44 | -152.2 | 168.3 | -178.3 | -176.8 | 0 | 113.8 | ||||
| 130 | A | 27 | Very low | 35.3 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -75.2 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 131 | E | 28.2 | Very low | 35.1 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | -160.1 | 173.8 | 57.5 | -152 | 163.6 | 110.8 | 0 | 0 | 113.4 | |||||
| 132 | N | 31.6 | Very low | 35.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -161.2 | 167.5 | -167.2 | -154.6 | 12.2 | 0 | 0 | 0 | 108.5 | ||||
| 133 | P | 61.5 | Low | 34.6 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -118.2 | -128.4 | -9.2 | 32.1 | -6.2 | 0 | 0 | 0 | 109.3 | ||||
| 134 | P | 43.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | cis | -133.8 | -148.2 | -10.6 | 44.7 | -23.2 | 0 | 0 | 0 | 115.1 | ||||
| 135 | T | 35.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -158.3 | -171 | -165.4 | 18.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 136 | P | 54.5 | Low | 35 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -117.1 | -54.1 | -20.8 | 17.4 | -3.5 | 0 | 0 | 0 | 122.7 | ||||
| 137 | P | 47.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | -124.7 | 128.7 | -112 | 31.7 | -13.6 | 0 | 0 | 0 | 116.6 | |||||
| 138 | Y | 27.8 | Very low | 35.9 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -149.4 | -169.7 | 145.8 | -152.7 | -111.1 | 0 | 0 | 0 | 112.8 | ||||
| 139 | M | 30.7 | Very low | 36 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 54% | 0.542 | 78% | 0.783 | S | S | . | * | -161.5 | 148.8 | -128 | -166.5 | -167.1 | 71.8 | 0 | 0 | 113.8 | |||||
| 140 | Y | 30.4 | Very low | 36 | Very low | 224 Ų | 224 | 133.4 Ų | 133.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 150 | 177.2 | -96.9 | -111.1 | 0 | 0 | 0 | 116.7 | ||||
| 141 | G | 28.8 | Very low | 36.1 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 151.9 | 104.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 142 | D | 30.3 | Very low | 36 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -70.3 | 143.1 | 178.5 | -95.2 | -43.8 | 0 | 0 | 0 | 115.9 | ||||
| 143 | V | 30.9 | Very low | 35.8 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 71.2 | 149.7 | 138.8 | -177.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 144 | L | 29.5 | Very low | 34 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | 88 | 122 | 174.8 | -53.9 | -173.7 | 0 | 0 | 0 | 119.5 | ||||
| 145 | S | 37.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 148.6 | 154.2 | -26.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 146 | P | 42.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -148.3 | -155.8 | 90.3 | 41.6 | -22.2 | 0 | 0 | 0 | 110.4 | |||||
| 147 | P | 41.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -135 | 177.8 | -3.4 | 43 | -25.5 | 0 | 0 | 0 | 116.9 | ||||
| 148 | L | 37.7 | Very low | 30.4 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 147.9 | 159 | -73.2 | 165.9 | 0 | 0 | 0 | 110.3 | ||||
| 149 | G | 30.6 | Very low | 30.6 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -162.7 | 78 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 150 | T | 29.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -80.2 | 161.3 | 160.7 | 46.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 151 | M | 27.8 | Very low | 31.7 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | -138.6 | -145.1 | 7.7 | -140.8 | 160.4 | 52.1 | 0 | 0 | 109 | V153 | M151-V153 HydrophobicContact CE-CG2 3.88Š| ||
| 152 | E | 27.3 | Very low | 33 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | cis | -132.3 | 177.6 | 12.2 | -96.8 | -152.3 | 105.4 | 0 | 0 | 109.6 | ||||
| 153 | V | 25.5 | Very low | 33.7 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 58% | 0.582 | 77% | 0.772 | S | S | * | * | cis | 73.5 | 145.4 | 36.1 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | M151 | M151-V153 HydrophobicContact CE-CG2 3.88Š| ||
| 154 | T | 24.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | cis | -109.7 | -172.2 | -4.5 | 1.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 155 | V | 25.4 | Very low | 34 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -146.8 | 172 | 6.7 | -125.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 156 | A | 24.4 | Very low | 33.6 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | cis | -150.7 | 161.2 | -0.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 157 | T | 29 | Very low | 33.2 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | 89.6 | 100.2 | 15.7 | -47.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 158 | T | 25.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -142.7 | 161.3 | 168.2 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | A | 33.8 | Very low | 33.3 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -156.7 | 152 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 160 | V | 31.5 | Very low | 33.5 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -143.9 | 130.1 | 175.1 | 161 | 0 | 0 | 0 | 0 | 108 | ||||
| 161 | P | 52.3 | Low | 33.6 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | -132 | -128.6 | -68.2 | 27.2 | -0.9 | 0 | 0 | 0 | 113.2 | |||||
| 162 | P | 54.6 | Low | 34 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | -125.5 | -162.6 | -107.4 | 49 | -31.7 | 0 | 0 | 0 | 112.3 | |||||
| 163 | P | 47 | Very low | 34.4 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -138.5 | 159 | 47.4 | 37.8 | -16.7 | 0 | 0 | 0 | 118.5 | ||||
| 164 | Q | 32.4 | Very low | 34.7 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | 26.6 | 143.4 | 140.4 | -64.8 | 169.3 | -18.5 | 0 | 0 | 122 | ||||
| 165 | S | 33.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -175.9 | 152.2 | -4.8 | 48.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | Q | 29.8 | Very low | 35.5 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 79.8 | 90.4 | 149.1 | -72.6 | 172.4 | 1.8 | 0 | 0 | 125.1 | ||||
| 167 | I | 33.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | 43.1 | 169.2 | 123.6 | 11.3 | 179.3 | 0 | 0 | 0 | 124.4 | |||||
| 168 | P | 54.7 | Low | 36.5 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | -134.3 | -158.7 | -119.1 | 47.9 | -27.8 | 0 | 0 | 0 | 116.2 | |||||
| 169 | I | 27.2 | Very low | 36.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 171 | 129.4 | 135.5 | -91.6 | 160.6 | 0 | 0 | 0 | 114.9 | ||||
| 170 | M | 35.2 | Very low | 36.4 | Very low | 164 Ų | 164 | 134 Ų | 134 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 47.3 | 162.1 | 143.7 | -64 | -169.3 | 134.5 | 0 | 0 | 123.3 | ||||
| 171 | T | 32.1 | Very low | 36.2 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | cis | -171.9 | 160.6 | -7.2 | 23.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 172 | Q | 36.2 | Very low | 35.2 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | 65 | 161.4 | 142.2 | -76.7 | -150.1 | 22.7 | 0 | 0 | 122.3 | ||||
| 173 | T | 33.8 | Very low | 33.9 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 54% | 0.54 | 74% | 0.742 | S | S | . | * | cis | -162.9 | 147.3 | -42.1 | -35 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | Q | 33.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 59.2 | 169.4 | 144.3 | -87.8 | -179.1 | -12.1 | 0 | 0 | 121.3 | ||||
| 175 | L | 32.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 62% | 0.618 | 74% | 0.737 | S | S | * | * | cis | -158.7 | 153.8 | 2.7 | -120.1 | 165.1 | 0 | 0 | 0 | 113.2 | ||||
| 176 | Q | 32.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 51.7 | 114.7 | 147 | -87.6 | 172 | -13.1 | 0 | 0 | 126.9 | ||||
| 177 | T | 25.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | 37.8 | 163.1 | 112.1 | 59 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 178 | P | 49 | Very low | 32.4 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | cis | -145.7 | -169.8 | -19.6 | 35.4 | -12.5 | 0 | 0 | 0 | 117.5 | ||||
| 179 | L | 27.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 103.8 | 116.5 | 134.1 | -94.7 | 178.2 | 0 | 0 | 0 | 124.3 | ||||
| 180 | T | 29.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | 85.6 | 147.2 | 141.9 | 4.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 181 | S | 28.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 73.1 | 164 | 152.9 | 72.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 182 | V | 29.8 | Very low | 31 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | -173.4 | 153.3 | -61.6 | 137 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 183 | Q | 27.1 | Very low | 30.5 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 170.3 | 171.2 | -80.5 | 160.7 | 4.2 | 0 | 0 | 116.3 | ||||
| 184 | A | 26.9 | Very low | 30.1 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | cis | -162.5 | 134.8 | -21.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 185 | V | 26.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | 79.6 | 123.1 | 70.9 | 170.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 186 | I | 34.9 | Very low | 29.8 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 75.5 | 143.1 | 161.6 | -82.6 | 167.5 | 0 | 0 | 0 | 117 | ||||
| 187 | N | 28.7 | Very low | 29.7 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -160.1 | 156 | 7.6 | -133.7 | -2.7 | 0 | 0 | 0 | 115.5 | ||||
| 188 | G | 27.7 | Very low | 29.9 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 165.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 189 | I | 32.9 | Very low | 28.9 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -148.3 | 131.5 | -12.3 | -63.5 | -172.7 | 0 | 0 | 0 | 111.6 | ||||
| 190 | Q | 27.5 | Very low | 29.1 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 19.8 | 133.1 | 151.1 | -162.8 | 177.1 | 96.6 | 0 | 0 | 124.3 | ||||
| 191 | T | 31.4 | Very low | 29 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -151.1 | 178.9 | 139.2 | -9.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 192 | Q | 28.4 | Very low | 29 | Very low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -111.4 | 144.1 | -146.1 | -112 | -173.2 | 68.6 | 0 | 0 | 119.1 | ||||
| 193 | T | 26.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 68.4 | 86.9 | 140.6 | -48 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 194 | A | 25.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -160.6 | 127.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 195 | V | 28.2 | Very low | 30.3 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 50.1 | 149.3 | 160.3 | -120.3 | 0 | 0 | 0 | 0 | 121.6 | ||
| 196 | L | 32.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 61.4 | 106.3 | 159.1 | -63.7 | 165.8 | 0 | 0 | 0 | 119 | ||||
| 197 | P | 30.7 | Very low | 30.4 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 123.6 | 148.9 | 31.6 | -30 | 0 | 0 | 0 | 109.6 | ||||
| 198 | S | 28.6 | Very low | 30.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -82.3 | 142.5 | 170.9 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | T | 28.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -131.1 | 144.8 | 159.2 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | L | 31.9 | Very low | 31.2 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 131.3 | -170.8 | -64.8 | 164.5 | 0 | 0 | 0 | 111.2 | A202 | L200-A202 PolarHBondContact O-N 3.4Š| ||
| 201 | K | 26.9 | Very low | 31.5 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 76.5 | 166.7 | -75.9 | -169 | 176.9 | -177.2 | 0 | 110.7 | ||||
| 202 | A | 29.7 | Very low | 31.6 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | -87.7 | 115.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | L200 T204 | L200-A202 PolarHBondContact O-N 3.4Å; A202-T204 PolarHBondContact O-N 3Å | ||
| 203 | S | 35.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -82.4 | 103.7 | -174.7 | 51 | 0 | 0 | 0 | 0 | 112 | ||||
| 204 | T | 38.4 | Very low | 33.1 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -111.3 | 72 | 177.7 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | A202 | A202-T204 PolarHBondContact O-N 3Š| ||
| 205 | I | 36.9 | Very low | 33.4 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -149.2 | 130.3 | 173 | -75.9 | -173.3 | 0 | 0 | 0 | 104.3 | ||||
| 206 | L | 31.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | cis | -148.5 | 172.5 | 4 | -157.6 | 68.5 | 0 | 0 | 0 | 109.8 | ||||
| 207 | S | 32.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | 4.8 | 129.3 | 150.6 | -175.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 208 | T | 31.3 | Very low | 33.4 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -146.9 | 128.5 | 136.1 | 6.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 209 | K | 36.1 | Very low | 33.4 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 127.9 | 172.5 | 178.3 | -179.5 | -178.3 | 176.8 | 0 | 108.2 | P211 | K209-P211 WeakPolarHBondContact O-CD 3.48Š|
| 210 | P | 37.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.8 | -174.2 | 27.3 | -33.9 | 0 | 0 | 0 | 112 | ||
| 211 | P | 34.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 129.2 | 173.5 | 33.3 | -31.1 | 0 | 0 | 0 | 111.5 | K209 | K209-P211 WeakPolarHBondContact O-CD 3.48Š|
| 212 | I | 34.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 138.1 | 172.3 | -65.7 | 175.2 | 0 | 0 | 0 | 109.5 | ||
| 213 | Q | 39.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 165.2 | -172.6 | -89.3 | -166.7 | 10.3 | 0 | 0 | 114.6 | ||
| 214 | P | 44.8 | Very low | 33.4 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -90.4 | 177.1 | -160.8 | 36.4 | -38.1 | 0 | 0 | 0 | 116 | ||||
| 215 | R | 32.9 | Very low | 32.9 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -68.2 | 155.3 | 175.5 | -72.5 | 179.8 | 176.6 | 176.1 | -0.9 | 112.8 | ||||
| 216 | P | 33.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -76.6 | 153.8 | -171.4 | 31.3 | -37.4 | 0 | 0 | 0 | 114.4 | ||||
| 217 | V | 29.8 | Very low | 32.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -124.3 | 146.9 | 167.7 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 218 | C | 27.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -69.6 | 143.5 | -169.9 | -55.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 219 | V | 27.9 | Very low | 33.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 87% | 0.873 | 82% | 0.823 | S | S | * | * | trans | -86.7 | 130.7 | 166 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 220 | A | 27.6 | Very low | 32.9 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -134.8 | 123.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 221 | A | 30.2 | Very low | 33.1 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -87.1 | 149.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 222 | T | 27.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -113.3 | 133.2 | 175.4 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 223 | L | 30.3 | Very low | 32.6 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | -122.8 | 148.1 | 163 | -84.9 | 167.5 | 0 | 0 | 0 | 109.7 | ||||
| 224 | P | 37.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | trans | -109.9 | 148.3 | -163.8 | 39.4 | -32.7 | 0 | 0 | 0 | 115.7 | ||||
| 225 | V | 27.8 | Very low | 31.4 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -152.7 | 169.1 | 161.3 | -106.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 226 | P | 36.6 | Very low | 31.4 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -106.7 | -164.8 | -132.9 | 42.3 | -38.7 | 0 | 0 | 0 | 117.1 | ||||
| 227 | Q | 29.8 | Very low | 31.2 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -93.4 | 171.1 | -156.6 | -61.7 | 177 | -31.1 | 0 | 0 | 117.2 | ||||
| 228 | N | 30 | Very low | 31.1 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | 100.3 | 149.8 | 144.5 | -139.2 | 39.2 | 0 | 0 | 0 | 117.4 | ||||
| 229 | P | 41.4 | Very low | 31.2 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 62% | 0.623 | 82% | 0.82 | S | S | * | * | cis | -128.7 | 144.9 | -32 | 27.7 | -8.9 | 0 | 0 | 0 | 115.8 | ||||
| 230 | A | 30.1 | Very low | 31.2 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | 48.4 | 177.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 231 | P | 41.5 | Very low | 32 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | cis | -124.7 | 159.1 | -35.8 | 33.8 | -18.2 | 0 | 0 | 0 | 114.4 | ||||
| 232 | A | 26.9 | Very low | 32 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -145.1 | 146 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 233 | K | 31.1 | Very low | 32 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -94.1 | 139.5 | -156.8 | -64.2 | 167.9 | 180 | 172.6 | 0 | 114.6 | ||||
| 234 | T | 28.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -74 | 146.3 | 167 | -44.1 | 0 | 0 | 0 | 0 | 111.9 | I236 | T234-I236 HydrophobicContact CG2-CD1 4.41Å; T234-I236 HydrophobicContact CG2-CG1 4.09Å | ||
| 235 | L | 31.6 | Very low | 31.7 | Very low | 177 Ų | 177 | 139 Ų | 139 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -134.2 | 138.1 | 152.3 | -80.2 | 177.8 | 0 | 0 | 0 | 110.1 | ||||
| 236 | I | 32.6 | Very low | 31.7 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -123.8 | 141.1 | 176.1 | -65.9 | 171.7 | 0 | 0 | 0 | 107.1 | T234 | T234-I236 HydrophobicContact CG2-CD1 4.41Å; T234-I236 HydrophobicContact CG2-CG1 4.09Å | ||
| 237 | L | 28.9 | Very low | 31.3 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -137.7 | 146 | 159.1 | -90.8 | 172.9 | 0 | 0 | 0 | 110.4 | ||||
| 238 | Q | 27.8 | Very low | 31.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -134.4 | 140.5 | -176.1 | -170.8 | 173.7 | 2.3 | 0 | 0 | 107.5 | ||||
| 239 | G | 29.9 | Very low | 31.7 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -100.5 | 175 | -165 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 240 | L | 28.4 | Very low | 31 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -160.3 | -175.3 | 163.6 | -134.3 | 73.8 | 0 | 0 | 0 | 110.2 | ||||
| 241 | P | 43.5 | Very low | 30.9 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -122.6 | -141.5 | -108.4 | 45 | -28.9 | 0 | 0 | 0 | 116.8 | |||||
| 242 | S | 29.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -122 | 154 | -144.5 | 55.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 243 | M | 29.1 | Very low | 31.2 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | -167.7 | 165.2 | 157.9 | -81.9 | -73.1 | 73.4 | 0 | 0 | 109 | ||||
| 244 | D | 28 | Very low | 31.1 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | cis | -167.9 | 166.1 | -29.1 | -171.8 | 29.7 | 0 | 0 | 0 | 112.1 | ||||
| 245 | Q | 32.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | 70.1 | 123.6 | 149.2 | -103.1 | -179.5 | 89.3 | 0 | 0 | 127.5 | ||||
| 246 | N | 27.2 | Very low | 31.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 84 | 163.5 | 136 | -83 | -27.9 | 0 | 0 | 0 | 124.9 | ||||
| 247 | R | 29.6 | Very low | 30.9 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -123.8 | -178.9 | -151.8 | -123.4 | -168.3 | 167.6 | -166.7 | -1.5 | 111.5 | ||||
| 248 | P | 42.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -138.1 | -155 | 3.4 | 41.9 | -20.1 | 0 | 0 | 0 | 115.8 | ||||
| 249 | V | 25.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 141.3 | 162.5 | 148 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 250 | V | 27.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -158.2 | -131.6 | -23.9 | 77.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 251 | L | 28.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 162.4 | -175.8 | -63.9 | 175.3 | 0 | 0 | 0 | 116.3 | ||||
| 252 | S | 31 | Very low | 30.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -162.4 | -146.9 | -16.4 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 253 | P | 42.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -94.1 | 167 | -140.4 | 42.7 | -39.1 | 0 | 0 | 0 | 117.8 | ||||
| 254 | S | 29.1 | Very low | 31 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -158.6 | 165.2 | 150.6 | -85.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 255 | V | 30.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -135.3 | 127.8 | -159.7 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 256 | C | 29.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 67 | 165.6 | 159.4 | -69.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 257 | L | 29.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 99.3 | 165.6 | -52 | -174.8 | 0 | 0 | 0 | 119.1 | ||||
| 258 | S | 29 | Very low | 31.8 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -154 | 134.9 | 135.1 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 259 | S | 35 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -108.2 | 152 | 175.7 | 56.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 260 | A | 31.6 | Very low | 31.8 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -73 | 143.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | P | 34.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -80.1 | 132 | -175 | 30.9 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 262 | A | 28.1 | Very low | 32.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -99.9 | 114 | 162 | 0 | 0 | 0 | 0 | 0 | 108.9 | V264 | A262-V264 PolarHBondContact O-N 3.47Š| ||
| 263 | I | 29.6 | Very low | 32.9 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -86.1 | 102.6 | 178.4 | -60.7 | 175.7 | 0 | 0 | 0 | 108.7 | ||||
| 264 | V | 30.2 | Very low | 33 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -114.3 | 133.9 | 162.6 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | A262 | A262-V264 PolarHBondContact O-N 3.47Š| ||
| 265 | K | 30 | Very low | 33.7 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -75 | 125.3 | -170.7 | -178.4 | -178.2 | 178 | -173.9 | 0 | 110.9 | ||||
| 266 | M | 33.1 | Very low | 33.7 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -95.2 | 161.7 | 168.8 | -78.6 | -168.9 | 175.6 | 0 | 0 | 112.3 | ||||
| 267 | E | 33.9 | Very low | 33.6 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -110.8 | 144.6 | 179.5 | -179.7 | 179.1 | 122.4 | 0 | 0 | 110.1 | ||||
| 268 | P | 38.7 | Very low | 33.7 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -101.4 | 140.2 | 169.7 | 35.9 | -28.9 | 0 | 0 | 0 | 112 | ||||
| 269 | V | 31.2 | Very low | 34 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -118.6 | 126.6 | -167.1 | 115.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 270 | S | 36 | Very low | 34.9 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 60.5 | 166.4 | 151.1 | -41.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 271 | P | 45.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -133.5 | 149.6 | 59.7 | 29.1 | -7.9 | 0 | 0 | 0 | 117.9 | |||||
| 272 | S | 30.1 | Very low | 35 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 74.5 | 120.7 | 139.9 | -62.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 273 | I | 34.6 | Very low | 35.4 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 74.2 | 117.3 | 143 | -54.7 | 161 | 0 | 0 | 0 | 120 | ||||
| 274 | P | 42.4 | Very low | 35.9 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -100.7 | 158.3 | 154.2 | 38.7 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 275 | P | 44.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | -149.5 | 162.9 | 99 | 39.4 | -23.5 | 0 | 0 | 0 | 117.3 | |||||
| 276 | H | 30.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 65.8 | 114.2 | 157.8 | -84.3 | -72.1 | 0 | 0 | 0 | 123.2 | ||||
| 277 | C | 28 | Very low | 37.4 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | 67.4 | 144.1 | 128.6 | -69.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 278 | S | 31.7 | Very low | 37.8 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 85.3 | 97.5 | 148.5 | -59.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 279 | S | 34.2 | Very low | 37.8 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 153.5 | 133 | -58.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 280 | P | 53.7 | Low | 38.5 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -94.6 | 150.2 | -168.7 | 36.7 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 281 | A | 32.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 125 Ų | 125 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 165.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 282 | A | 37 | Very low | 38.6 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -115.5 | -163.2 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 283 | S | 36.5 | Very low | 39.4 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 130.5 | -171.7 | 77.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 284 | S | 40 | Very low | 40 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | cis | 104.6 | 94.1 | 12.4 | 82.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 285 | T | 41.6 | Very low | 40.5 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -137.3 | 167.6 | 159.1 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 286 | S | 37.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -139.3 | 134.9 | -142.9 | 60.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 287 | K | 45.4 | Very low | 41.9 | Very low | 198 Ų | 198 | 122.7 Ų | 122.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 65.5 | 171.1 | 143.5 | -70.2 | 179.5 | -178.8 | -179.7 | 0 | 117.5 | ||||
| 288 | P | 42.3 | Very low | 43.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -132.8 | 160.1 | -38.7 | 34.3 | -19 | 0 | 0 | 0 | 114 | ||||
| 289 | I | 40 | Very low | 44.3 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -135.9 | 150.5 | 149.4 | -86.3 | 107.9 | 0 | 0 | 0 | 109.5 | ||||
| 290 | V | 46.1 | Very low | 45.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70 | 132.8 | -162.9 | 179.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 291 | P | 44.4 | Very low | 45.8 | Very low | 114 Ų | 114 | 119 Ų | 119 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126.3 | 157.8 | -2.1 | 20.2 | 0 | 0 | 0 | 110.1 | T293 | P291-T293 PolarHBondContact O-N 3.05Š|
| 292 | A | 38.7 | Very low | 47.6 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T294 | A292-T294 PolarHBondContact O-N 3.23Š|
| 293 | T | 47.2 | Very low | 49.4 | Very low | 141 Ų | 141 | 118 Ų | 118 | 87% | 0.865 | 72% | 0.716 | S | S | * | * | trans | -75.5 | 112.4 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | P291 | P291-T293 PolarHBondContact O-N 3.05Š| ||
| 294 | T | 47.1 | Very low | 51.4 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 120.3 | 162.8 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | A292 | A292-T294 PolarHBondContact O-N 3.23Š|
| 295 | P | 51.7 | Low | 53.5 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.7 | -178.4 | 28.9 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 296 | L | 51.3 | Low | 55.7 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 123.5 | 176.5 | 177.2 | 70.3 | 0 | 0 | 0 | 111.1 | N300 | L296-N300 WeakPolarHBondContact CD1-ND2 3.48Š|
| 297 | P | 53.4 | Low | 58.3 | Low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 137 | 148.3 | -7.7 | 26.7 | 0 | 0 | 0 | 109.8 | N299 | P297-N299 PolarHBondContact O-N 3.28Š|
| 298 | S | 53.7 | Low | 60.5 | Low | 118 Ų | 118 | 108.7 Ų | 108.7 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -75 | 114 | -173.7 | -174.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 299 | N | 56.5 | Low | 63 | Low | 106 Ų | 106 | 108 Ų | 108 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | trans | -165.1 | 10.9 | 143.1 | -153.7 | 4.8 | 0 | 0 | 0 | 115.1 | P297 S301 N302 | P297-N299 PolarHBondContact O-N 3.28Å; N299-S301 PolarHBondContact O-N 2.97Å; N299-N302 PolarHBondContact OD1-ND2 3.25Å | ||
| 300 | N | 59.1 | Low | 65.6 | Low | 94 Ų | 94 | 105.5 Ų | 105.5 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77 | -12.8 | -162.8 | -69.6 | -36.5 | 0 | 0 | 0 | 116 | L296 I304 | L296-N300 WeakPolarHBondContact CD1-ND2 3.48Å; N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.28Å |
| 301 | S | 61.1 | Low | 67.9 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 47% | 0.469 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.9 | -55.3 | 177 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | N299 D303 I304 D305 | N299-S301 PolarHBondContact O-N 2.97Å; S301-D303 PolarHBondContact O-N 2.88Å; S301-I304 CarbonylContact O-C 3.56Å; S301-I304 WeakPolarHBondContact O-CA 3.49Å; S301-I304 WeakPolarHBondContact O-CB 3.28Å; S301-I304 PolarHBondContact O-N 3.4Å; S301-D305 VanDerWaalsContact C-OD2 3.27Å; S301-D305 VanDerWaalsContact O-CG 3.25Å; S301-D305 PolarHBondContact O-N 3.14Å; S301-D305 VanDerWaalsContact O-OD2 3.04Å |
| 302 | N | 70.1 | Confident | 70.4 | Confident | 101 Ų | 101 | 104.8 Ų | 104.8 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -51.8 | -36.2 | -177 | -66.4 | -65.6 | 0 | 0 | 0 | 113.8 | N299 M306 | N299-N302 PolarHBondContact OD1-ND2 3.25Å; N302-M306 WeakPolarHBondContact O-CB 3.47Å; N302-M306 PolarHBondContact O-N 3.25Å |
| 303 | D | 73.9 | Confident | 73.1 | Confident | 79 Ų | 79 | 105.6 Ų | 105.6 | 42% | 0.422 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.3 | -29.7 | 178.2 | -176.3 | 38.4 | 0 | 0 | 0 | 112.9 | S301 K307 | S301-D303 PolarHBondContact O-N 2.88Å; D303-K307 VanDerWaalsContact CG-CE 3.5Å; D303-K307 VanDerWaalsContact CG-NZ 3.26Å; D303-K307 WeakPolarHBondContact O-CB 3.48Å; D303-K307 VanDerWaalsContact O-CD 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.16Å; D303-K307 WeakPolarHBondContact OD1-CE 3.28Å; D303-K307 IonicContact OD1-NZ 2.69Å; D303-K307 PolarHBondContact OD1-NZ 2.87Å; D303-K307 VanDerWaalsContact OD2-CE 3.3Å; D303-K307 WeakPolarHBondContact OD2-CE 3.35Å; D303-K307 IonicContact OD2-NZ 3.18Å; D303-K307 PolarHBondContact OD2-NZ 3.49Å |
| 304 | I | 78.3 | Confident | 75.4 | Confident | 97 Ų | 97 | 107.2 Ų | 107.2 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -49.4 | 168.9 | -67.3 | 166.3 | 0 | 0 | 0 | 109.8 | N300 S301 M306 K307 V308 | N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.28Å; S301-I304 CarbonylContact O-C 3.56Å; S301-I304 WeakPolarHBondContact O-CA 3.49Å; S301-I304 WeakPolarHBondContact O-CB 3.28Å; S301-I304 PolarHBondContact O-N 3.4Å; I304-M306 VanDerWaalsContact C-N 3.32Å; I304-M306 PolarHBondContact O-N 2.84Å; I304-K307 CarbonylContact O-C 3.57Å; I304-K307 WeakPolarHBondContact O-CA 3.36Å; I304-K307 WeakPolarHBondContact O-CB 3.39Å; I304-K307 PolarHBondContact O-N 3.24Å; I304-V308 HydrophobicContact CG2-CG2 4.42Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 2.92Å |
| 305 | D | 85.5 | Confident | 77.8 | Confident | 93 Ų | 93 | 106 Ų | 106 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 179.2 | -59.8 | -37.3 | 0 | 0 | 0 | 110.7 | S301 K307 V308 L309 | S301-D305 VanDerWaalsContact C-OD2 3.27Å; S301-D305 VanDerWaalsContact O-CG 3.25Å; S301-D305 PolarHBondContact O-N 3.14Å; S301-D305 VanDerWaalsContact O-OD2 3.04Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.82Å; D305-V308 PolarHBondContact O-N 3.47Å; D305-L309 VanDerWaalsContact O-CB 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.43Å; D305-L309 PolarHBondContact O-N 2.92Å |
| 306 | M | 87.5 | Confident | 79.9 | Confident | 82 Ų | 82 | 103.3 Ų | 103.3 | 40% | 0.404 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | 172.6 | -174.4 | 58.6 | 55.7 | 0 | 0 | 112.9 | N302 I304 K310 | N302-M306 WeakPolarHBondContact O-CB 3.47Å; N302-M306 PolarHBondContact O-N 3.25Å; I304-M306 VanDerWaalsContact C-N 3.32Å; I304-M306 PolarHBondContact O-N 2.84Å; M306-K310 HydrophobicContact CG-CD 4.16Å; M306-K310 VanDerWaalsContact O-CB 3.25Å; M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 WeakPolarHBondContact O-CD 3.37Å; M306-K310 WeakPolarHBondContact O-CG 3.27Å; M306-K310 PolarHBondContact O-N 3.32Å; M306-K310 HydrophobicContact SD-CD 4.28Å; M306-K310 VanDerWaalsContact SD-CE 3.51Å; M306-K310 HydrophobicContact SD-CG 4.5Å |
| 307 | K | 91 | Very high | 82.1 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.8 | -36.8 | 173.9 | -74.1 | 162 | -168.4 | 162.3 | 0 | 112.4 | D303 I304 D305 R311 | D303-K307 VanDerWaalsContact CG-CE 3.5Å; D303-K307 VanDerWaalsContact CG-NZ 3.26Å; D303-K307 WeakPolarHBondContact O-CB 3.48Å; D303-K307 VanDerWaalsContact O-CD 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.16Å; D303-K307 WeakPolarHBondContact OD1-CE 3.28Å; D303-K307 IonicContact OD1-NZ 2.69Å; D303-K307 PolarHBondContact OD1-NZ 2.87Å; D303-K307 VanDerWaalsContact OD2-CE 3.3Å; D303-K307 WeakPolarHBondContact OD2-CE 3.35Å; D303-K307 IonicContact OD2-NZ 3.18Å; D303-K307 PolarHBondContact OD2-NZ 3.49Å; I304-K307 CarbonylContact O-C 3.57Å; I304-K307 WeakPolarHBondContact O-CA 3.36Å; I304-K307 WeakPolarHBondContact O-CB 3.39Å; I304-K307 PolarHBondContact O-N 3.24Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.82Å; K307-R311 WeakPolarHBondContact O-CB 3.37Å; K307-R311 PolarHBondContact O-N 2.78Å |
| 308 | V | 92.1 | Very high | 84.2 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | I304 D305 K310 R311 Q312 | I304-V308 HydrophobicContact CG2-CG2 4.42Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 2.92Å; D305-V308 PolarHBondContact O-N 3.47Å; V308-K310 PolarHBondContact O-N 3.15Å; V308-R311 CarbonylContact O-C 3.56Å; V308-R311 WeakPolarHBondContact O-CA 3.06Å; V308-R311 VanDerWaalsContact O-CB 3.29Å; V308-R311 WeakPolarHBondContact O-CB 3.44Å; V308-R311 PolarHBondContact O-N 2.86Å; V308-Q312 PolarHBondContact O-N 3.35Å |
| 309 | L | 94.3 | Very high | 86.3 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.2 | -174 | 63.8 | 0 | 0 | 0 | 111.5 | D305 R311 Q312 Q313 | D305-L309 VanDerWaalsContact O-CB 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.43Å; D305-L309 PolarHBondContact O-N 2.92Å; L309-R311 PolarHBondContact O-N 3.03Å; L309-Q312 PolarHBondContact O-N 2.91Å; L309-Q313 WeakPolarHBondContact O-CB 3.44Å; L309-Q313 PolarHBondContact O-N 2.81Å |
| 310 | K | 95.2 | Very high | 88.2 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -16.4 | 172.2 | -74 | 168.8 | -178 | 166.3 | 0 | 113.8 | M306 V308 R314 | M306-K310 HydrophobicContact CG-CD 4.16Å; M306-K310 VanDerWaalsContact O-CB 3.25Å; M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 WeakPolarHBondContact O-CD 3.37Å; M306-K310 WeakPolarHBondContact O-CG 3.27Å; M306-K310 PolarHBondContact O-N 3.32Å; M306-K310 HydrophobicContact SD-CD 4.28Å; M306-K310 VanDerWaalsContact SD-CE 3.51Å; M306-K310 HydrophobicContact SD-CG 4.5Å; V308-K310 PolarHBondContact O-N 3.15Å; K310-R314 WeakPolarHBondContact O-CG 3.44Å; K310-R314 PolarHBondContact O-NE 2.96Å |
| 311 | R | 94.6 | Very high | 90 | Very high | 153 Ų | 153 | 102.4 Ų | 102.4 | 58% | 0.577 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -84.4 | -46 | 169.8 | -175.6 | 179.6 | 177.9 | -85.2 | 0.1 | 110.5 | K307 V308 L309 R314 M315 | K307-R311 WeakPolarHBondContact O-CB 3.37Å; K307-R311 PolarHBondContact O-N 2.78Å; V308-R311 CarbonylContact O-C 3.56Å; V308-R311 WeakPolarHBondContact O-CA 3.06Å; V308-R311 VanDerWaalsContact O-CB 3.29Å; V308-R311 WeakPolarHBondContact O-CB 3.44Å; V308-R311 PolarHBondContact O-N 2.86Å; L309-R311 PolarHBondContact O-N 3.03Å; R311-R314 PolarHBondContact O-N 2.88Å; R311-M315 HydrophobicContact CG-SD 4.4Å; R311-M315 PolarHBondContact NH1-SD 3.2Å; R311-M315 VanDerWaalsContact NH1-SD 3.38Å; R311-M315 WeakPolarHBondContact O-CG 3.37Å; R311-M315 PolarHBondContact O-N 3.19Å |
| 312 | Q | 95.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 101 Ų | 101 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.5 | -165.1 | -179.5 | 21.1 | 0 | 0 | 111.3 | V308 L309 R314 M315 I316 | V308-Q312 PolarHBondContact O-N 3.35Å; L309-Q312 PolarHBondContact O-N 2.91Å; Q312-R314 PolarHBondContact O-N 3.41Å; Q312-M315 CarbonylContact O-C 3.53Å; Q312-M315 WeakPolarHBondContact O-CA 3.2Å; Q312-M315 WeakPolarHBondContact O-CB 3.14Å; Q312-M315 PolarHBondContact O-N 3.35Å; Q312-I316 HydrophobicContact CG-CD1 4.1Å; Q312-I316 WeakPolarHBondContact O-CG1 3.48Å; Q312-I316 PolarHBondContact O-N 2.8Å |
| 313 | Q | 96.1 | Very high | 93 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -34.3 | 175.6 | -172.7 | 66.3 | 76.6 | 0 | 0 | 113.1 | L309 K317 | L309-Q313 WeakPolarHBondContact O-CB 3.44Å; L309-Q313 PolarHBondContact O-N 2.81Å; Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.23Å; Q313-K317 PolarHBondContact O-N 2.69Å |
| 314 | R | 96.7 | Very high | 94.1 | Very high | 174 Ų | 174 | 101.7 Ų | 101.7 | 66% | 0.657 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.6 | -36.1 | 173.9 | -78.7 | -176.5 | -67.9 | 159.3 | 0.3 | 112.3 | K310 R311 Q312 N318 | K310-R314 WeakPolarHBondContact O-CG 3.44Å; K310-R314 PolarHBondContact O-NE 2.96Å; R311-R314 PolarHBondContact O-N 2.88Å; Q312-R314 PolarHBondContact O-N 3.41Å; R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.92Å |
| 315 | M | 96.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 173.8 | -70.9 | 176.3 | 62.3 | 0 | 0 | 111.4 | R311 Q312 N318 R319 | R311-M315 HydrophobicContact CG-SD 4.4Å; R311-M315 PolarHBondContact NH1-SD 3.2Å; R311-M315 VanDerWaalsContact NH1-SD 3.38Å; R311-M315 WeakPolarHBondContact O-CG 3.37Å; R311-M315 PolarHBondContact O-N 3.19Å; Q312-M315 CarbonylContact O-C 3.53Å; Q312-M315 WeakPolarHBondContact O-CA 3.2Å; Q312-M315 WeakPolarHBondContact O-CB 3.14Å; Q312-M315 PolarHBondContact O-N 3.35Å; M315-N318 PolarHBondContact O-N 3.16Å; M315-R319 WeakPolarHBondContact O-CB 3.24Å; M315-R319 PolarHBondContact O-N 3.4Å |
| 316 | I | 96.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 105.7 Ų | 105.7 | 30% | 0.303 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -55.5 | 173.4 | -67.5 | 166.3 | 0 | 0 | 0 | 109.9 | L18 Q312 N318 R319 E320 | L18-I316 HydrophobicContact CD1-CD1 4.35Å; Q312-I316 HydrophobicContact CG-CD1 4.1Å; Q312-I316 WeakPolarHBondContact O-CG1 3.48Å; Q312-I316 PolarHBondContact O-N 2.8Å; I316-N318 PolarHBondContact O-N 3.37Å; I316-N318 VanDerWaalsContact O-N 3.17Å; I316-R319 WeakPolarHBondContact O-CA 3.35Å; I316-R319 WeakPolarHBondContact O-CB 3.37Å; I316-R319 PolarHBondContact O-N 3.06Å; I316-E320 HydrophobicContact CG2-CG 4.37Å; I316-E320 VanDerWaalsContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact O-CG 3.23Å; I316-E320 PolarHBondContact O-N 3.29Å |
| 317 | K | 97.6 | Very high | 96.1 | Very high | 141 Ų | 141 | 108.2 Ų | 108.2 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -30.4 | 178.4 | -173.6 | 168.3 | -177.3 | 169.4 | 0 | 113.5 | Q313 E320 S321 | Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.23Å; Q313-K317 PolarHBondContact O-N 2.69Å; K317-E320 WeakPolarHBondContact CA-OE2 3.08Å; K317-S321 WeakPolarHBondContact O-CB 3.49Å; K317-S321 PolarHBondContact O-N 3.05Å; K317-S321 PolarHBondContact O-OG 3.21Å |
| 318 | N | 97.5 | Very high | 96.5 | Very high | 110 Ų | 110 | 109.2 Ų | 109.2 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.5 | -40.6 | 173.9 | -173.7 | -114.1 | 0 | 0 | 0 | 112.2 | R314 M315 I316 S321 A322 | R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.92Å; M315-N318 PolarHBondContact O-N 3.16Å; I316-N318 PolarHBondContact O-N 3.37Å; I316-N318 VanDerWaalsContact O-N 3.17Å; N318-S321 PolarHBondContact O-N 2.75Å; N318-S321 PolarHBondContact O-OG 2.92Å; N318-A322 WeakPolarHBondContact O-CB 3.12Å; N318-A322 PolarHBondContact O-N 3.48Å |
| 319 | R | 97.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 111.7 Ų | 111.7 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 173.1 | -174.1 | 177.7 | -179.8 | 174.9 | -1.1 | 111.1 | M315 I316 C323 | M315-R319 WeakPolarHBondContact O-CB 3.24Å; M315-R319 PolarHBondContact O-N 3.4Å; I316-R319 WeakPolarHBondContact O-CA 3.35Å; I316-R319 WeakPolarHBondContact O-CB 3.37Å; I316-R319 PolarHBondContact O-N 3.06Å; R319-C323 WeakPolarHBondContact O-CB 3.35Å; R319-C323 PolarHBondContact O-N 3.37Å |
| 320 | E | 96.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 114.2 Ų | 114.2 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.9 | -54.5 | 174.2 | -70.7 | 167.7 | 177.6 | 0 | 0 | 112.1 | I316 K317 A322 C323 Q324 | I316-E320 HydrophobicContact CG2-CG 4.37Å; I316-E320 VanDerWaalsContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact O-CG 3.23Å; I316-E320 PolarHBondContact O-N 3.29Å; K317-E320 WeakPolarHBondContact CA-OE2 3.08Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.89Å; E320-C323 WeakPolarHBondContact O-CB 3.41Å; E320-C323 PolarHBondContact O-N 2.9Å; E320-C323 VanDerWaalsContact O-N 3.16Å; E320-Q324 WeakPolarHBondContact O-CG 3.29Å; E320-Q324 PolarHBondContact O-N 2.94Å |
| 321 | S | 96.9 | Very high | 97.1 | Very high | 58 Ų | 58 | 112.3 Ų | 112.3 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -31.5 | -177.2 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | K317 N318 S325 | K317-S321 WeakPolarHBondContact O-CB 3.49Å; K317-S321 PolarHBondContact O-N 3.05Å; K317-S321 PolarHBondContact O-OG 3.21Å; N318-S321 PolarHBondContact O-N 2.75Å; N318-S321 PolarHBondContact O-OG 2.92Å; S321-S325 WeakPolarHBondContact O-CB 3.29Å; S321-S325 PolarHBondContact O-N 3.44Å |
| 322 | A | 96.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 112.4 Ų | 112.4 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N318 E320 S325 R326 | N318-A322 WeakPolarHBondContact O-CB 3.12Å; N318-A322 PolarHBondContact O-N 3.48Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.89Å; A322-S325 PolarHBondContact O-N 3.06Å; A322-R326 WeakPolarHBondContact O-CG 3.48Å; A322-R326 PolarHBondContact O-N 2.74Å |
| 323 | C | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 112.2 Ų | 112.2 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | R319 E320 S325 R326 K327 | R319-C323 WeakPolarHBondContact O-CB 3.35Å; R319-C323 PolarHBondContact O-N 3.37Å; E320-C323 WeakPolarHBondContact O-CB 3.41Å; E320-C323 PolarHBondContact O-N 2.9Å; E320-C323 VanDerWaalsContact O-N 3.16Å; C323-S325 VanDerWaalsContact C-N 3.29Å; C323-S325 PolarHBondContact O-N 3.48Å; C323-R326 PolarHBondContact O-N 2.81Å; C323-R326 VanDerWaalsContact O-N 3.16Å; C323-K327 PolarHBondContact O-N 3.28Å |
| 324 | Q | 96.9 | Very high | 97.5 | Very high | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -35.9 | 175.4 | -69.5 | -177.4 | 19.3 | 0 | 0 | 112.5 | E320 K327 K328 | E320-Q324 WeakPolarHBondContact O-CG 3.29Å; E320-Q324 PolarHBondContact O-N 2.94Å; Q324-K327 PolarHBondContact O-N 3.14Å; Q324-K328 WeakPolarHBondContact O-CB 3.12Å; Q324-K328 WeakPolarHBondContact O-CG 3.28Å; Q324-K328 PolarHBondContact O-N 3.46Å |
| 325 | S | 97.7 | Very high | 97.5 | Very high | 78 Ų | 78 | 108.6 Ų | 108.6 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | S321 A322 C323 K329 | S321-S325 WeakPolarHBondContact O-CB 3.29Å; S321-S325 PolarHBondContact O-N 3.44Å; A322-S325 PolarHBondContact O-N 3.06Å; C323-S325 VanDerWaalsContact C-N 3.29Å; C323-S325 PolarHBondContact O-N 3.48Å; S325-K329 WeakPolarHBondContact O-CB 3.3Å; S325-K329 PolarHBondContact O-N 3.42Å |
| 326 | R | 97.9 | Very high | 97.6 | Very high | 196 Ų | 196 | 107.4 Ų | 107.4 | 74% | 0.74 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 173.7 | -70.4 | 173.3 | -176.4 | -167.2 | 1.1 | 111.7 | A322 C323 K329 K330 | A322-R326 WeakPolarHBondContact O-CG 3.48Å; A322-R326 PolarHBondContact O-N 2.74Å; C323-R326 PolarHBondContact O-N 2.81Å; C323-R326 VanDerWaalsContact O-N 3.16Å; R326-K329 PolarHBondContact O-N 3.22Å; R326-K330 PolarHBondContact O-N 2.81Å |
| 327 | K | 98.1 | Very high | 97.7 | Very high | 134 Ų | 134 | 109.8 Ų | 109.8 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -52.3 | 176.2 | 177.4 | 169.6 | 172.4 | 174.3 | 0 | 111.6 | C323 Q324 K329 K330 E331 | C323-K327 PolarHBondContact O-N 3.28Å; Q324-K327 PolarHBondContact O-N 3.14Å; K327-K329 VanDerWaalsContact C-N 3.26Å; K327-K329 PolarHBondContact O-N 3.49Å; K327-K330 WeakPolarHBondContact O-CB 3.2Å; K327-K330 PolarHBondContact O-N 3.4Å; K327-E331 WeakPolarHBondContact CE-OE1 3.3Å; K327-E331 HydrophobicContact CG-CG 4.48Å; K327-E331 WeakPolarHBondContact CG-OE1 3.4Å; K327-E331 IonicContact NZ-OE1 2.65Å; K327-E331 WeakPolarHBondContact O-CG 3.41Å; K327-E331 PolarHBondContact O-N 2.81Å |
| 328 | K | 98.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 105 Ų | 105 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -32.5 | 176.5 | -73.4 | 177.9 | 177.9 | 179.9 | 0 | 113.2 | Q324 E331 Y332 | Q324-K328 WeakPolarHBondContact O-CB 3.12Å; Q324-K328 WeakPolarHBondContact O-CG 3.28Å; Q324-K328 PolarHBondContact O-N 3.46Å; K328-E331 WeakPolarHBondContact CA-OE2 3.49Å; K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 PolarHBondContact O-N 3.18Å |
| 329 | K | 97.9 | Very high | 97.7 | Very high | 138 Ų | 138 | 105.6 Ų | 105.6 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | 172.4 | -169.7 | -179.6 | 177.7 | -172.4 | 0 | 112 | S325 R326 K327 Y332 L333 | S325-K329 WeakPolarHBondContact O-CB 3.3Å; S325-K329 PolarHBondContact O-N 3.42Å; R326-K329 PolarHBondContact O-N 3.22Å; K327-K329 VanDerWaalsContact C-N 3.26Å; K327-K329 PolarHBondContact O-N 3.49Å; K329-Y332 PolarHBondContact O-N 3.03Å; K329-L333 HydrophobicContact CG-CD1 4.16Å; K329-L333 WeakPolarHBondContact O-CB 3.41Å; K329-L333 VanDerWaalsContact O-CG 3.32Å; K329-L333 WeakPolarHBondContact O-CG 3.45Å; K329-L333 PolarHBondContact O-N 2.9Å |
| 330 | K | 98.1 | Very high | 97.7 | Very high | 146 Ų | 146 | 104.2 Ų | 104.2 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 173.7 | -175.2 | 174.5 | 179 | 175.8 | 0 | 110.8 | R326 K327 Y332 L333 Q334 | R326-K330 PolarHBondContact O-N 2.81Å; K327-K330 WeakPolarHBondContact O-CB 3.2Å; K327-K330 PolarHBondContact O-N 3.4Å; K330-Y332 PolarHBondContact O-N 2.88Å; K330-L333 PolarHBondContact O-N 2.78Å; K330-Q334 VanDerWaalsContact O-CB 3.28Å; K330-Q334 WeakPolarHBondContact O-CB 3.39Å; K330-Q334 PolarHBondContact O-N 2.96Å |
| 331 | E | 97.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 107.3 Ų | 107.3 | 38% | 0.383 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 176.7 | -68.7 | 163.3 | 170.4 | 0 | 0 | 112 | K327 K328 N335 | K327-E331 WeakPolarHBondContact CE-OE1 3.3Å; K327-E331 HydrophobicContact CG-CG 4.48Å; K327-E331 WeakPolarHBondContact CG-OE1 3.4Å; K327-E331 IonicContact NZ-OE1 2.65Å; K327-E331 WeakPolarHBondContact O-CG 3.41Å; K327-E331 PolarHBondContact O-N 2.81Å; K328-E331 WeakPolarHBondContact CA-OE2 3.49Å; E331-N335 WeakPolarHBondContact O-CB 3.33Å; E331-N335 PolarHBondContact O-N 3.32Å |
| 332 | Y | 98 | Very high | 97.8 | Very high | 155 Ų | 155 | 110.9 Ų | 110.9 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 176.3 | 176 | -103.9 | 0 | 0 | 0 | 113.1 | K328 K329 K330 N335 L336 | K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 PolarHBondContact O-N 3.18Å; K329-Y332 PolarHBondContact O-N 3.03Å; K330-Y332 PolarHBondContact O-N 2.88Å; Y332-N335 PolarHBondContact O-N 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.4Å; Y332-L336 PolarHBondContact O-N 2.82Å |
| 333 | L | 98.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 111.8 Ų | 111.8 | 36% | 0.361 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 177 | -71.8 | 171.4 | 0 | 0 | 0 | 111.5 | K329 K330 N335 L336 E337 | K329-L333 HydrophobicContact CG-CD1 4.16Å; K329-L333 WeakPolarHBondContact O-CB 3.41Å; K329-L333 VanDerWaalsContact O-CG 3.32Å; K329-L333 WeakPolarHBondContact O-CG 3.45Å; K329-L333 PolarHBondContact O-N 2.9Å; K330-L333 PolarHBondContact O-N 2.78Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 2.87Å; L333-L336 CarbonylContact O-C 3.6Å; L333-L336 WeakPolarHBondContact O-CA 3.32Å; L333-L336 WeakPolarHBondContact O-CB 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; L333-E337 VanDerWaalsContact O-CG 3.31Å; L333-E337 WeakPolarHBondContact O-CG 3.38Å; L333-E337 PolarHBondContact O-N 3.16Å |
| 334 | Q | 98 | Very high | 97.8 | Very high | 106 Ų | 106 | 112.9 Ų | 112.9 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 176.7 | -174.3 | 175.1 | -1.4 | 0 | 0 | 112.2 | K330 E337 A338 | K330-Q334 VanDerWaalsContact O-CB 3.28Å; K330-Q334 WeakPolarHBondContact O-CB 3.39Å; K330-Q334 PolarHBondContact O-N 2.96Å; Q334-E337 PolarHBondContact O-N 3.05Å; Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 3.3Å |
| 335 | N | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 114 Ų | 114 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.2 | -36.7 | 172.6 | -77.9 | 5 | 0 | 0 | 0 | 112.4 | E331 Y332 L333 A338 Q339 | E331-N335 WeakPolarHBondContact O-CB 3.33Å; E331-N335 PolarHBondContact O-N 3.32Å; Y332-N335 PolarHBondContact O-N 3.31Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 2.87Å; N335-A338 PolarHBondContact O-N 3.45Å; N335-Q339 WeakPolarHBondContact O-CG 3.12Å; N335-Q339 PolarHBondContact O-N 3.21Å |
| 336 | L | 98 | Very high | 97.9 | Very high | 80 Ų | 80 | 114.7 Ų | 114.7 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 175.4 | -172.5 | 65.9 | 0 | 0 | 0 | 111.6 | Y332 L333 Q339 L340 | Y332-L336 WeakPolarHBondContact O-CB 3.4Å; Y332-L336 PolarHBondContact O-N 2.82Å; L333-L336 CarbonylContact O-C 3.6Å; L333-L336 WeakPolarHBondContact O-CA 3.32Å; L333-L336 WeakPolarHBondContact O-CB 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; L336-Q339 PolarHBondContact O-N 2.71Å; L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.45Å |
| 337 | E | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 108.9 Ų | 108.9 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -31.9 | 173.1 | -70.7 | 158.9 | -162 | 0 | 0 | 112.5 | L333 Q334 R341 | L333-E337 VanDerWaalsContact O-CG 3.31Å; L333-E337 WeakPolarHBondContact O-CG 3.38Å; L333-E337 PolarHBondContact O-N 3.16Å; Q334-E337 PolarHBondContact O-N 3.05Å; E337-R341 WeakPolarHBondContact O-CG 3.42Å; E337-R341 PolarHBondContact O-N 3.34Å; E337-R341 PolarHBondContact O-NE 2.88Å |
| 338 | A | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 107.7 Ų | 107.7 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.1 | -49.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q334 N335 L340 R341 E342 | Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 3.3Å; N335-A338 PolarHBondContact O-N 3.45Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.29Å; A338-R341 PolarHBondContact O-N 2.78Å; A338-E342 PolarHBondContact O-N 2.74Å |
| 339 | Q | 97.8 | Very high | 97.7 | Very high | 123 Ų | 123 | 106.9 Ų | 106.9 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | 176.1 | -73.5 | 176.5 | -3.3 | 0 | 0 | 112.6 | N335 L336 A343 | N335-Q339 WeakPolarHBondContact O-CG 3.12Å; N335-Q339 PolarHBondContact O-N 3.21Å; L336-Q339 PolarHBondContact O-N 2.71Å; Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.14Å |
| 340 | L | 97.8 | Very high | 97.7 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -48.5 | 174 | -169.2 | 81.4 | 0 | 0 | 0 | 111.1 | L336 A338 A343 Q344 | L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.45Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.29Å; L340-A343 PolarHBondContact O-N 3.43Å; L340-Q344 WeakPolarHBondContact O-CB 3.48Å; L340-Q344 VanDerWaalsContact O-CG 3.24Å; L340-Q344 WeakPolarHBondContact O-CG 3.29Å; L340-Q344 PolarHBondContact O-N 3.43Å; L340-Q344 PolarHBondContact O-OE1 2.83Å |
| 341 | R | 97.7 | Very high | 97.6 | Very high | 161 Ų | 161 | 104.6 Ų | 104.6 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 179.4 | -74.7 | -177.5 | -67.4 | 154 | -2.5 | 112.5 | E337 A338 Q344 Q345 | E337-R341 WeakPolarHBondContact O-CG 3.42Å; E337-R341 PolarHBondContact O-N 3.34Å; E337-R341 PolarHBondContact O-NE 2.88Å; A338-R341 PolarHBondContact O-N 2.78Å; R341-Q344 PolarHBondContact O-N 2.76Å; R341-Q345 WeakPolarHBondContact O-CB 3.46Å; R341-Q345 PolarHBondContact O-N 3.49Å |
| 342 | E | 98.1 | Very high | 97.6 | Very high | 134 Ų | 134 | 107.5 Ų | 107.5 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.5 | -48.7 | 174.5 | -175.2 | 177.8 | -169 | 0 | 0 | 111.1 | A338 Q344 Q345 E346 | A338-E342 PolarHBondContact O-N 2.74Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.19Å; E342-Q345 PolarHBondContact O-N 3.44Å; E342-E346 PolarHBondContact O-N 3.41Å |
| 343 | A | 96.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 104.6 Ų | 104.6 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -33.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q339 L340 N347 | Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.14Å; L340-A343 PolarHBondContact O-N 3.43Å; A343-N347 WeakPolarHBondContact O-CB 3.48Å; A343-N347 PolarHBondContact O-N 3.45Å |
| 344 | Q | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 172.6 | -76 | 171 | -52 | 0 | 0 | 111.4 | L340 R341 E342 E346 N347 E348 | L340-Q344 WeakPolarHBondContact O-CB 3.48Å; L340-Q344 VanDerWaalsContact O-CG 3.24Å; L340-Q344 WeakPolarHBondContact O-CG 3.29Å; L340-Q344 PolarHBondContact O-N 3.43Å; L340-Q344 PolarHBondContact O-OE1 2.83Å; R341-Q344 PolarHBondContact O-N 2.76Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.19Å; Q344-E346 VanDerWaalsContact C-N 3.34Å; Q344-E346 PolarHBondContact O-N 2.97Å; Q344-N347 WeakPolarHBondContact O-CB 3.4Å; Q344-N347 PolarHBondContact O-N 2.95Å; Q344-N347 VanDerWaalsContact O-N 3.09Å; Q344-E348 PolarHBondContact O-N 2.91Å |
| 345 | Q | 98.3 | Very high | 97.3 | Very high | 137 Ų | 137 | 105.6 Ų | 105.6 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 178.1 | -170.2 | -178.2 | 20.5 | 0 | 0 | 111.8 | R341 E342 E348 R349 | R341-Q345 WeakPolarHBondContact O-CB 3.46Å; R341-Q345 PolarHBondContact O-N 3.49Å; E342-Q345 PolarHBondContact O-N 3.44Å; Q345-E348 PolarHBondContact O-N 3.28Å; Q345-R349 PolarHBondContact O-N 3.25Å |
| 346 | E | 97.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 102.8 Ų | 102.8 | 43% | 0.425 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 171 | 174.3 | 160.9 | -120.3 | 0 | 0 | 111.7 | E342 Q344 E348 R349 L350 | E342-E346 PolarHBondContact O-N 3.41Å; Q344-E346 VanDerWaalsContact C-N 3.34Å; Q344-E346 PolarHBondContact O-N 2.97Å; E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 3.43Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 2.81Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NH2 3.78Å; E346-R349 PolarHBondContact OE1-NH2 2.95Å; E346-L350 HydrophobicContact CG-CD1 3.68Å; E346-L350 HydrophobicContact CG-CG 4.03Å; E346-L350 WeakPolarHBondContact O-CB 3.2Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.88Å |
| 347 | N | 96.4 | Very high | 97 | Very high | 74 Ų | 74 | 103.4 Ų | 103.4 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 177.9 | -149.1 | -87.7 | 0 | 0 | 0 | 111.8 | A343 Q344 R351 | A343-N347 WeakPolarHBondContact O-CB 3.48Å; A343-N347 PolarHBondContact O-N 3.45Å; Q344-N347 WeakPolarHBondContact O-CB 3.4Å; Q344-N347 PolarHBondContact O-N 2.95Å; Q344-N347 VanDerWaalsContact O-N 3.09Å; N347-R351 WeakPolarHBondContact O-CB 3.49Å; N347-R351 VanDerWaalsContact O-CG 3.28Å; N347-R351 WeakPolarHBondContact O-CG 3.37Å; N347-R351 PolarHBondContact O-N 3.4Å; N347-R351 PolarHBondContact OD1-NE 3.42Å; N347-R351 PolarHBondContact OD1-NH1 2.88Å; N347-R351 VanDerWaalsContact OD1-NH1 3.1Å; N347-R351 PolarHBondContact OD1-NH2 2.83Å |
| 348 | E | 97.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 173 | -71.1 | -172.2 | 178.4 | 0 | 0 | 113.3 | Q344 Q345 E346 R351 R352 | Q344-E348 PolarHBondContact O-N 2.91Å; Q345-E348 PolarHBondContact O-N 3.28Å; E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 3.43Å; E348-R351 PolarHBondContact O-N 3.01Å; E348-R352 PolarHBondContact O-N 2.91Å |
| 349 | R | 97.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 109.8 Ų | 109.8 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.7 | -54.1 | 171.7 | 171.7 | 178.3 | 71 | 173.7 | 1.2 | 110.3 | Q345 E346 R351 R352 E353 | Q345-R349 PolarHBondContact O-N 3.25Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 2.81Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NH2 3.78Å; E346-R349 PolarHBondContact OE1-NH2 2.95Å; R349-R351 VanDerWaalsContact C-N 3.27Å; R349-R351 PolarHBondContact O-N 2.82Å; R349-R352 PolarHBondContact O-N 3.16Å; R349-R352 VanDerWaalsContact O-N 3.11Å; R349-E353 WeakPolarHBondContact CD-OE1 3.39Å; R349-E353 HydrophobicContact CG-CG 4.49Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CG 3.48Å; R349-E353 PolarHBondContact O-N 2.76Å |
| 350 | L | 96.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 112.9 Ų | 112.9 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -32.2 | -179.2 | -68.9 | 173.6 | 0 | 0 | 0 | 112 | E346 N354 | E346-L350 HydrophobicContact CG-CD1 3.68Å; E346-L350 HydrophobicContact CG-CG 4.03Å; E346-L350 WeakPolarHBondContact O-CB 3.2Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.88Å; L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.8Å; L350-N354 PolarHBondContact O-ND2 2.9Å |
| 351 | R | 96.1 | Very high | 95.8 | Very high | 168 Ų | 168 | 112.9 Ų | 112.9 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -45.1 | 171.3 | -81.5 | 175.2 | 176.2 | 140.5 | 4.3 | 112.4 | N347 E348 R349 N354 Q355 | N347-R351 WeakPolarHBondContact O-CB 3.49Å; N347-R351 VanDerWaalsContact O-CG 3.28Å; N347-R351 WeakPolarHBondContact O-CG 3.37Å; N347-R351 PolarHBondContact O-N 3.4Å; N347-R351 PolarHBondContact OD1-NE 3.42Å; N347-R351 PolarHBondContact OD1-NH1 2.88Å; N347-R351 VanDerWaalsContact OD1-NH1 3.1Å; N347-R351 PolarHBondContact OD1-NH2 2.83Å; E348-R351 PolarHBondContact O-N 3.01Å; R349-R351 VanDerWaalsContact C-N 3.27Å; R349-R351 PolarHBondContact O-N 2.82Å; R351-N354 PolarHBondContact O-N 3.11Å; R351-Q355 WeakPolarHBondContact O-CB 3.49Å; R351-Q355 PolarHBondContact O-N 3.17Å |
| 352 | R | 97.3 | Very high | 95.3 | Very high | 143 Ų | 143 | 107.8 Ų | 107.8 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.2 | -77.4 | -179.3 | -92.6 | 115.3 | -6.3 | 111.8 | E348 R349 Q355 A356 | E348-R352 PolarHBondContact O-N 2.91Å; R349-R352 PolarHBondContact O-N 3.16Å; R349-R352 VanDerWaalsContact O-N 3.11Å; R352-Q355 PolarHBondContact O-N 2.88Å; R352-A356 PolarHBondContact O-N 3.27Å |
| 353 | E | 96.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 106.2 Ų | 106.2 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 173.8 | -71.6 | 171.4 | -162.4 | 0 | 0 | 112.2 | R349 Q355 A356 L357 | R349-E353 WeakPolarHBondContact CD-OE1 3.39Å; R349-E353 HydrophobicContact CG-CG 4.49Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CG 3.48Å; R349-E353 PolarHBondContact O-N 2.76Å; E353-Q355 VanDerWaalsContact C-N 3.3Å; E353-Q355 PolarHBondContact O-N 2.75Å; E353-A356 PolarHBondContact O-N 3.25Å; E353-L357 WeakPolarHBondContact O-CB 3.41Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 2.99Å; E353-L357 PolarHBondContact O-N 2.93Å |
| 354 | N | 95.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 109.6 Ų | 109.6 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 175.2 | -90.4 | -93.9 | 0 | 0 | 0 | 112.5 | L350 R351 R358 | L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.8Å; L350-N354 PolarHBondContact O-ND2 2.9Å; R351-N354 PolarHBondContact O-N 3.11Å; N354-R358 WeakPolarHBondContact O-CB 3.38Å; N354-R358 WeakPolarHBondContact O-CD 3.25Å; N354-R358 WeakPolarHBondContact O-CG 3.19Å; N354-R358 PolarHBondContact O-N 2.85Å |
| 355 | Q | 95.9 | Very high | 93.2 | Very high | 112 Ų | 112 | 111.2 Ų | 111.2 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -53.2 | 173 | 176.1 | 174.7 | -15.4 | 0 | 0 | 110.8 | R351 R352 E353 L357 R358 E359 | R351-Q355 WeakPolarHBondContact O-CB 3.49Å; R351-Q355 PolarHBondContact O-N 3.17Å; R352-Q355 PolarHBondContact O-N 2.88Å; E353-Q355 VanDerWaalsContact C-N 3.3Å; E353-Q355 PolarHBondContact O-N 2.75Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 2.81Å; Q355-R358 WeakPolarHBondContact O-CB 3.24Å; Q355-R358 PolarHBondContact O-N 2.96Å; Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.49Å; Q355-E359 PolarHBondContact NE2-OE1 2.79Å; Q355-E359 WeakPolarHBondContact O-CG 3.32Å; Q355-E359 PolarHBondContact O-N 3.32Å |
| 356 | A | 95.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 108.2 Ų | 108.2 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R352 E353 R360 | R352-A356 PolarHBondContact O-N 3.27Å; E353-A356 PolarHBondContact O-N 3.25Å; A356-R360 WeakPolarHBondContact O-CB 3.38Å; A356-R360 VanDerWaalsContact O-CG 3.27Å; A356-R360 WeakPolarHBondContact O-CG 3.38Å; A356-R360 PolarHBondContact O-N 3.42Å |
| 357 | L | 95 | Very high | 90.7 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 173.2 | -72.2 | 171.9 | 0 | 0 | 0 | 112.3 | E353 Q355 R360 L361 | E353-L357 WeakPolarHBondContact O-CB 3.41Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 2.99Å; E353-L357 PolarHBondContact O-N 2.93Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 2.81Å; L357-R360 PolarHBondContact O-N 3.23Å; L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.47Å; L357-L361 PolarHBondContact O-N 2.92Å |
| 358 | R | 92.1 | Very high | 89.4 | Confident | 182 Ų | 182 | 106.8 Ų | 106.8 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 174.8 | -76.2 | 169.6 | 178.9 | -160.8 | -1.2 | 112.3 | N354 Q355 L361 A362 | N354-R358 WeakPolarHBondContact O-CB 3.38Å; N354-R358 WeakPolarHBondContact O-CD 3.25Å; N354-R358 WeakPolarHBondContact O-CG 3.19Å; N354-R358 PolarHBondContact O-N 2.85Å; Q355-R358 WeakPolarHBondContact O-CB 3.24Å; Q355-R358 PolarHBondContact O-N 2.96Å; R358-L361 PolarHBondContact O-N 2.83Å; R358-A362 WeakPolarHBondContact O-CB 3.29Å; R358-A362 PolarHBondContact O-N 2.85Å |
| 359 | E | 92.8 | Very high | 87.8 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 175.7 | -72 | 165.9 | -175.5 | 0 | 0 | 111 | Q355 L361 A362 V363 | Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.49Å; Q355-E359 PolarHBondContact NE2-OE1 2.79Å; Q355-E359 WeakPolarHBondContact O-CG 3.32Å; Q355-E359 PolarHBondContact O-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.86Å; E359-A362 PolarHBondContact O-N 2.8Å; E359-V363 WeakPolarHBondContact O-CG2 3.23Å; E359-V363 PolarHBondContact O-N 3.14Å |
| 360 | R | 92.6 | Very high | 86.1 | Confident | 187 Ų | 187 | 100.6 Ų | 100.6 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -37.5 | 173.8 | -72.5 | 175.4 | 70 | -173.8 | 3.2 | 112.9 | A356 L357 K364 | A356-R360 WeakPolarHBondContact O-CB 3.38Å; A356-R360 VanDerWaalsContact O-CG 3.27Å; A356-R360 WeakPolarHBondContact O-CG 3.38Å; A356-R360 PolarHBondContact O-N 3.42Å; L357-R360 PolarHBondContact O-N 3.23Å; R360-K364 WeakPolarHBondContact O-CB 3.29Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.1Å |
| 361 | L | 87.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 100 Ų | 100 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.9 | -45.2 | 174.5 | -73.7 | 166.8 | 0 | 0 | 0 | 111.7 | L357 R358 E359 V363 K364 E365 | L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.47Å; L357-L361 PolarHBondContact O-N 2.92Å; R358-L361 PolarHBondContact O-N 2.83Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.86Å; L361-V363 PolarHBondContact O-N 3.17Å; L361-K364 CarbonylContact O-C 3.56Å; L361-K364 PolarHBondContact O-N 3.5Å; L361-K364 VanDerWaalsContact O-N 3.12Å; L361-E365 WeakPolarHBondContact O-CB 3.49Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.01Å |
| 362 | A | 87.2 | Confident | 83.6 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R358 E359 S366 | R358-A362 WeakPolarHBondContact O-CB 3.29Å; R358-A362 PolarHBondContact O-N 2.85Å; E359-A362 PolarHBondContact O-N 2.8Å; A362-S366 WeakPolarHBondContact O-CB 3.16Å; A362-S366 PolarHBondContact O-N 2.9Å |
| 363 | V | 86.1 | Confident | 82.7 | Confident | 100 Ų | 100 | 96 Ų | 96 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -47.9 | 171.9 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | E359 L361 S366 S367 | E359-V363 WeakPolarHBondContact O-CG2 3.23Å; E359-V363 PolarHBondContact O-N 3.14Å; L361-V363 PolarHBondContact O-N 3.17Å; V363-S366 PolarHBondContact O-N 3.01Å; V363-S366 PolarHBondContact O-OG 2.77Å; V363-S367 PolarHBondContact O-N 3.04Å |
| 364 | K | 83 | Confident | 81.8 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 179 | -177.7 | 164.5 | -179.6 | 174.6 | 0 | 112.4 | R360 L361 S366 S367 D368 | R360-K364 WeakPolarHBondContact O-CB 3.29Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.1Å; L361-K364 CarbonylContact O-C 3.56Å; L361-K364 PolarHBondContact O-N 3.5Å; L361-K364 VanDerWaalsContact O-N 3.12Å; K364-S366 VanDerWaalsContact C-N 3.27Å; K364-S366 PolarHBondContact O-N 3.28Å; K364-S367 PolarHBondContact O-N 2.71Å; K364-S367 VanDerWaalsContact O-N 3.17Å; K364-D368 WeakPolarHBondContact CE-OD2 3.47Å; K364-D368 WeakPolarHBondContact CG-OD2 3.45Å; K364-D368 WeakPolarHBondContact O-CB 3.37Å; K364-D368 PolarHBondContact O-N 3.37Å |
| 365 | E | 78.4 | Confident | 81.1 | Confident | 139 Ų | 139 | 99 Ų | 99 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -36.4 | 175.8 | -74.1 | -177.1 | 175.9 | 0 | 0 | 112 | L361 S369 | L361-E365 WeakPolarHBondContact O-CB 3.49Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.01Å; E365-S369 WeakPolarHBondContact O-CB 3.5Å; E365-S369 PolarHBondContact O-N 2.98Å |
| 366 | S | 72.2 | Confident | 80.4 | Confident | 74 Ų | 74 | 98.4 Ų | 98.4 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 175.1 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | A362 V363 K364 S369 A370 | A362-S366 WeakPolarHBondContact O-CB 3.16Å; A362-S366 PolarHBondContact O-N 2.9Å; V363-S366 PolarHBondContact O-N 3.01Å; V363-S366 PolarHBondContact O-OG 2.77Å; K364-S366 VanDerWaalsContact C-N 3.27Å; K364-S366 PolarHBondContact O-N 3.28Å; S366-S369 PolarHBondContact O-N 2.99Å; S366-A370 PolarHBondContact O-N 3.36Å |
| 367 | S | 70.4 | Confident | 79.6 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -48.3 | 177.1 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | V363 K364 S369 A370 S371 | V363-S367 PolarHBondContact O-N 3.04Å; K364-S367 PolarHBondContact O-N 2.71Å; K364-S367 VanDerWaalsContact O-N 3.17Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.41Å; S367-A370 PolarHBondContact O-N 3.05Å; S367-A370 VanDerWaalsContact O-N 3.16Å; S367-S371 WeakPolarHBondContact O-CB 3.47Å; S367-S371 PolarHBondContact O-N 3.4Å; S367-S371 PolarHBondContact O-OG 2.83Å |
| 368 | D | 69.6 | Low | 79.2 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 34% | 0.337 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 175.7 | -72.1 | -19.4 | 0 | 0 | 0 | 110.8 | K364 S371 N372 | K364-D368 WeakPolarHBondContact CE-OD2 3.47Å; K364-D368 WeakPolarHBondContact CG-OD2 3.45Å; K364-D368 WeakPolarHBondContact O-CB 3.37Å; K364-D368 PolarHBondContact O-N 3.37Å; D368-S371 WeakPolarHBondContact CA-OG 3.41Å; D368-S371 PolarHBondContact O-OG 3.37Å; D368-N372 WeakPolarHBondContact O-CB 3.31Å; D368-N372 VanDerWaalsContact O-CG 3.26Å; D368-N372 PolarHBondContact O-N 3.28Å; D368-N372 PolarHBondContact O-ND2 3.12Å |
| 369 | S | 63.5 | Low | 78.8 | Confident | 50 Ų | 50 | 97.1 Ų | 97.1 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 172.8 | -163.4 | 0 | 0 | 0 | 0 | 112 | E365 S366 S367 K373 | E365-S369 WeakPolarHBondContact O-CB 3.5Å; E365-S369 PolarHBondContact O-N 2.98Å; S366-S369 PolarHBondContact O-N 2.99Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.41Å; S369-K373 WeakPolarHBondContact O-CB 3.45Å; S369-K373 WeakPolarHBondContact O-CD 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.84Å; S369-K373 VanDerWaalsContact O-N 3.14Å; S369-K373 WeakPolarHBondContact OG-CE 3.37Å; S369-K373 PolarHBondContact OG-NZ 2.76Å |
| 370 | A | 63.7 | Low | 78.5 | Confident | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S366 S367 R374 | S366-A370 PolarHBondContact O-N 3.36Å; S367-A370 PolarHBondContact O-N 3.05Å; S367-A370 VanDerWaalsContact O-N 3.16Å; A370-R374 WeakPolarHBondContact O-CG 3.34Å; A370-R374 PolarHBondContact O-N 3.3Å |
| 371 | S | 68.2 | Low | 78.4 | Confident | 56 Ų | 56 | 90 Ų | 90 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -45.3 | 178.2 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | S367 D368 K373 R374 A375 | S367-S371 WeakPolarHBondContact O-CB 3.47Å; S367-S371 PolarHBondContact O-N 3.4Å; S367-S371 PolarHBondContact O-OG 2.83Å; D368-S371 WeakPolarHBondContact CA-OG 3.41Å; D368-S371 PolarHBondContact O-OG 3.37Å; S371-K373 PolarHBondContact O-N 3.04Å; S371-R374 PolarHBondContact O-N 3.12Å; S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 2.89Å |
| 372 | N | 72.6 | Confident | 78.3 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 178 | -73.6 | -59.6 | 0 | 0 | 0 | 112.3 | D368 R374 A375 V376 | D368-N372 WeakPolarHBondContact O-CB 3.31Å; D368-N372 VanDerWaalsContact O-CG 3.26Å; D368-N372 PolarHBondContact O-N 3.28Å; D368-N372 PolarHBondContact O-ND2 3.12Å; N372-R374 VanDerWaalsContact C-N 3.35Å; N372-R374 PolarHBondContact O-N 2.77Å; N372-A375 PolarHBondContact O-N 2.94Å; N372-V376 VanDerWaalsContact O-CB 3.29Å; N372-V376 WeakPolarHBondContact O-CB 3.46Å; N372-V376 VanDerWaalsContact O-CG2 3.23Å; N372-V376 WeakPolarHBondContact O-CG2 3.27Å; N372-V376 PolarHBondContact O-N 3.26Å |
| 373 | K | 78.1 | Confident | 78.2 | Confident | 135 Ų | 135 | 92.1 Ų | 92.1 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 171.6 | -76.9 | 163.7 | -173 | 149 | 0 | 111.5 | S369 S371 C377 | S369-K373 WeakPolarHBondContact O-CB 3.45Å; S369-K373 WeakPolarHBondContact O-CD 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.84Å; S369-K373 VanDerWaalsContact O-N 3.14Å; S369-K373 WeakPolarHBondContact OG-CE 3.37Å; S369-K373 PolarHBondContact OG-NZ 2.76Å; S371-K373 PolarHBondContact O-N 3.04Å; K373-C377 WeakPolarHBondContact O-CB 3.28Å; K373-C377 PolarHBondContact O-N 3.17Å; K373-C377 PolarHBondContact O-SG 3.23Å |
| 374 | R | 77.3 | Confident | 78.2 | Confident | 193 Ų | 193 | 94.8 Ų | 94.8 | 73% | 0.728 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 176.4 | -69.4 | 175.2 | -177.8 | -166.1 | 1.1 | 111.6 | A370 S371 N372 C377 V378 | A370-R374 WeakPolarHBondContact O-CG 3.34Å; A370-R374 PolarHBondContact O-N 3.3Å; S371-R374 PolarHBondContact O-N 3.12Å; N372-R374 VanDerWaalsContact C-N 3.35Å; N372-R374 PolarHBondContact O-N 2.77Å; R374-C377 PolarHBondContact O-N 3.34Å; R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.43Å |
| 375 | A | 80 | Confident | 78.2 | Confident | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S371 N372 V378 M379 | S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 2.89Å; N372-A375 PolarHBondContact O-N 2.94Å; A375-V378 PolarHBondContact O-N 3.43Å; A375-M379 WeakPolarHBondContact O-CB 3.2Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.27Å; A375-M379 PolarHBondContact O-N 2.84Å |
| 376 | V | 81.4 | Confident | 78.2 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | N372 M379 A380 | N372-V376 VanDerWaalsContact O-CB 3.29Å; N372-V376 WeakPolarHBondContact O-CB 3.46Å; N372-V376 VanDerWaalsContact O-CG2 3.23Å; N372-V376 WeakPolarHBondContact O-CG2 3.27Å; N372-V376 PolarHBondContact O-N 3.26Å; V376-M379 PolarHBondContact O-N 2.79Å; V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.42Å; V376-A380 PolarHBondContact O-N 2.9Å |
| 377 | C | 79.3 | Confident | 78.3 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 57% | 0.568 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 172.7 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | K373 R374 A380 V381 | K373-C377 WeakPolarHBondContact O-CB 3.28Å; K373-C377 PolarHBondContact O-N 3.17Å; K373-C377 PolarHBondContact O-SG 3.23Å; R374-C377 PolarHBondContact O-N 3.34Å; C377-A380 PolarHBondContact O-N 2.78Å; C377-V381 WeakPolarHBondContact O-CG2 3.41Å; C377-V381 PolarHBondContact O-N 3.25Å |
| 378 | V | 87.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 111 | R374 A375 A380 V381 L382 | R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.43Å; A375-V378 PolarHBondContact O-N 3.43Å; V378-A380 PolarHBondContact O-N 2.94Å; V378-V381 PolarHBondContact O-N 2.84Å; V378-L382 VanDerWaalsContact O-CB 3.24Å; V378-L382 WeakPolarHBondContact O-CB 3.24Å; V378-L382 PolarHBondContact O-N 3.31Å |
| 379 | M | 84.4 | Confident | 78.2 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 175.6 | -73 | -66.8 | -70.2 | 0 | 0 | 112.1 | A375 V376 L382 L383 | A375-M379 WeakPolarHBondContact O-CB 3.2Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.27Å; A375-M379 PolarHBondContact O-N 2.84Å; V376-M379 PolarHBondContact O-N 2.79Å; M379-L382 PolarHBondContact O-N 2.85Å; M379-L383 WeakPolarHBondContact O-CB 3.46Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å |
| 380 | A | 86.1 | Confident | 77.6 | Confident | 51 Ų | 51 | 100 Ų | 100 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V376 C377 V378 F384 | V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.42Å; V376-A380 PolarHBondContact O-N 2.9Å; C377-A380 PolarHBondContact O-N 2.78Å; V378-A380 PolarHBondContact O-N 2.94Å; A380-F384 PolarHBondContact O-N 3.45Å |
| 381 | V | 89.3 | Confident | 77 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -41.8 | 173.7 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | C377 V378 F384 I385 | C377-V381 WeakPolarHBondContact O-CG2 3.41Å; C377-V381 PolarHBondContact O-N 3.25Å; V378-V381 PolarHBondContact O-N 2.84Å; V381-F384 WeakPolarHBondContact O-CB 3.37Å; V381-F384 PolarHBondContact O-N 2.9Å; V381-F384 VanDerWaalsContact O-N 3.15Å; V381-I385 HydrophobicContact CG1-CD1 3.86Å; V381-I385 HydrophobicContact CG1-CG1 4.48Å; V381-I385 WeakPolarHBondContact O-CG1 3.45Å; V381-I385 PolarHBondContact O-N 2.6Å |
| 382 | L | 85.9 | Confident | 76.3 | Confident | 95 Ų | 95 | 108 Ų | 108 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 179.9 | -160.7 | 146.5 | 0 | 0 | 0 | 111.5 | V378 M379 I385 T386 | V378-L382 VanDerWaalsContact O-CB 3.24Å; V378-L382 WeakPolarHBondContact O-CB 3.24Å; V378-L382 PolarHBondContact O-N 3.31Å; M379-L382 PolarHBondContact O-N 2.85Å; L382-I385 PolarHBondContact O-N 2.93Å; L382-T386 HydrophobicContact CD2-CG2 4.26Å; L382-T386 WeakPolarHBondContact O-CG2 3.34Å; L382-T386 PolarHBondContact O-N 3.41Å; L382-T386 PolarHBondContact O-OG1 3.1Å |
| 383 | L | 86.5 | Confident | 75.4 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.2 | -42.3 | 167.4 | -75.5 | 168.5 | 0 | 0 | 0 | 112.1 | M379 I385 T386 F387 | M379-L383 WeakPolarHBondContact O-CB 3.46Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å; L383-I385 VanDerWaalsContact C-N 3.32Å; L383-I385 PolarHBondContact O-N 3.19Å; L383-T386 WeakPolarHBondContact CA-OG1 3.43Å; L383-T386 PolarHBondContact O-N 3.33Å; L383-T386 PolarHBondContact O-OG1 3.4Å; L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.4Å; L383-F387 PolarHBondContact O-N 3.5Å |
| 384 | F | 85 | Confident | 74.3 | Confident | 156 Ų | 156 | 110 Ų | 110 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.4 | -41.1 | 175.4 | -122.6 | -84.8 | 0 | 0 | 0 | 111.8 | A380 V381 F387 S388 | A380-F384 PolarHBondContact O-N 3.45Å; V381-F384 WeakPolarHBondContact O-CB 3.37Å; V381-F384 PolarHBondContact O-N 2.9Å; V381-F384 VanDerWaalsContact O-N 3.15Å; F384-F387 PolarHBondContact O-N 3.04Å; F384-S388 WeakPolarHBondContact O-CB 3.39Å; F384-S388 PolarHBondContact O-N 2.97Å; F384-S388 PolarHBondContact O-OG 3.12Å |
| 385 | I | 83.7 | Confident | 73 | Confident | 90 Ų | 90 | 107.2 Ų | 107.2 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -49.2 | 176.4 | -70 | 167.3 | 0 | 0 | 0 | 110.4 | V381 L382 L383 F387 S388 F389 | V381-I385 HydrophobicContact CG1-CD1 3.86Å; V381-I385 HydrophobicContact CG1-CG1 4.48Å; V381-I385 WeakPolarHBondContact O-CG1 3.45Å; V381-I385 PolarHBondContact O-N 2.6Å; L382-I385 PolarHBondContact O-N 2.93Å; L383-I385 VanDerWaalsContact C-N 3.32Å; L383-I385 PolarHBondContact O-N 3.19Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.09Å; I385-S388 PolarHBondContact O-N 3.19Å; I385-F389 HydrophobicContact CG2-CD2 3.91Å; I385-F389 HydrophobicContact CG2-CE2 4.47Å; I385-F389 WeakPolarHBondContact O-CB 3.43Å; I385-F389 WeakPolarHBondContact O-CD2 3.26Å; I385-F389 PolarHBondContact O-N 3.07Å |
| 386 | T | 78.8 | Confident | 71 | Confident | 82 Ų | 82 | 111.8 Ų | 111.8 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.9 | -27.3 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | L382 L383 G390 | L382-T386 HydrophobicContact CD2-CG2 4.26Å; L382-T386 WeakPolarHBondContact O-CG2 3.34Å; L382-T386 PolarHBondContact O-N 3.41Å; L382-T386 PolarHBondContact O-OG1 3.1Å; L383-T386 WeakPolarHBondContact CA-OG1 3.43Å; L383-T386 PolarHBondContact O-N 3.33Å; L383-T386 PolarHBondContact O-OG1 3.4Å; T386-G390 WeakPolarHBondContact O-CA 3.41Å; T386-G390 PolarHBondContact O-N 3.22Å |
| 387 | F | 73.3 | Confident | 68.7 | Low | 183 Ų | 183 | 118.7 Ų | 118.7 | 80% | 0.803 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.2 | -27.9 | 174.1 | -162.7 | -97 | 0 | 0 | 0 | 113.5 | L383 F384 I385 | L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.4Å; L383-F387 PolarHBondContact O-N 3.5Å; F384-F387 PolarHBondContact O-N 3.04Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.09Å |
| 388 | S | 73.1 | Confident | 66.6 | Low | 75 Ų | 75 | 123.6 Ų | 123.6 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -88.4 | -24.4 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 113.7 | F384 I385 | F384-S388 WeakPolarHBondContact O-CB 3.39Å; F384-S388 PolarHBondContact O-N 2.97Å; F384-S388 PolarHBondContact O-OG 3.12Å; I385-S388 PolarHBondContact O-N 3.19Å |
| 389 | F | 64.6 | Low | 63.8 | Low | 173 Ų | 173 | 127 Ų | 127 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -113.3 | -2.9 | 178.3 | -64.6 | -80.3 | 0 | 0 | 0 | 113.4 | I385 | I385-F389 HydrophobicContact CG2-CD2 3.91Å; I385-F389 HydrophobicContact CG2-CE2 4.47Å; I385-F389 WeakPolarHBondContact O-CB 3.43Å; I385-F389 WeakPolarHBondContact O-CD2 3.26Å; I385-F389 PolarHBondContact O-N 3.07Å |
| 390 | G | 50.8 | Low | 61.3 | Low | 31 Ų | 31 | 126.3 Ų | 126.3 | 32% | 0.32 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -71 | 134.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T386 V392 | T386-G390 WeakPolarHBondContact O-CA 3.41Å; T386-G390 PolarHBondContact O-N 3.22Å; G390-V392 PolarHBondContact O-N 3.5Å |
| 391 | P | 51.4 | Low | 58.6 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -72.9 | 114.4 | -171.6 | 27.8 | -34.3 | 0 | 0 | 0 | 112.2 | S393 | P391-S393 PolarHBondContact O-N 3.42Š| ||
| 392 | V | 54.4 | Low | 55.7 | Low | 151 Ų | 151 | 128.4 Ų | 128.4 | 92% | 0.915 | 71% | 0.714 | S | S | * | * | trans | -72.5 | 80.9 | 165.9 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | G390 | G390-V392 PolarHBondContact O-N 3.5Š| ||
| 393 | S | 52.1 | Low | 53.1 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -153.6 | 70.6 | 173.9 | -164.3 | 0 | 0 | 0 | 0 | 112 | P391 | P391-S393 PolarHBondContact O-N 3.42Š| ||
| 394 | I | 55.6 | Low | 50.5 | Low | 166 Ų | 166 | 133 Ų | 133 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -134.1 | 68.7 | 163.4 | -48.1 | -179 | 0 | 0 | 0 | 109.8 | ||||
| 395 | T | 49.6 | Very low | 48.1 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -153 | 130 | 146.4 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 396 | D | 39.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 59 | 103.9 | 162.6 | -163.5 | 19.6 | 0 | 0 | 0 | 120.5 | ||||
| 397 | R | 32.3 | Very low | 43.2 | Very low | 243 Ų | 243 | 137.7 Ų | 137.7 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -152.9 | 93.8 | 140.6 | -104.6 | -77.4 | 163.4 | 149 | -4.8 | 109.9 | ||||
| 398 | K | 35.2 | Very low | 41.3 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -73.2 | 122.5 | 174.4 | 172 | -173.3 | 177.8 | -178.2 | 0 | 112.4 | ||||
| 399 | L | 29.3 | Very low | 39.3 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -170.5 | 132.2 | 150.9 | -109.7 | 166.9 | 0 | 0 | 0 | 115.2 | ||||
| 400 | S | 30.4 | Very low | 37.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 47 | 104.6 | 146.5 | -162.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 401 | A | 30.6 | Very low | 37 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 42.7 | 120.8 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 402 | G | 27.2 | Very low | 36.1 | Very low | 82 Ų | 82 | 141 Ų | 141 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -137.6 | 148.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 403 | L | 31.9 | Very low | 35.4 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -112.5 | 141 | -161 | -179.8 | 70.4 | 0 | 0 | 0 | 114.2 | ||||
| 404 | Q | 31 | Very low | 34.4 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | trans | 147.3 | 102.7 | 157.4 | -82.6 | -77.4 | -83.9 | 0 | 0 | 106.4 | ||||
| 405 | E | 35.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | 66.3 | 130.7 | 85.9 | -67.1 | -175.2 | 157.6 | 0 | 0 | 112.5 | |||||
| 406 | D | 27.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | cis | -154.1 | 166.2 | 24 | -167.7 | 18.9 | 0 | 0 | 0 | 115.2 | ||||
| 407 | L | 31.1 | Very low | 31.7 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | 80 | 121.1 | 149 | -125.8 | 72.6 | 0 | 0 | 0 | 124.4 | ||||
| 408 | V | 33.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 71.8 | 109.3 | 159.1 | -154.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 409 | S | 32.1 | Very low | 31.4 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -89.7 | 161.3 | 164 | -47.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 410 | Y | 32.3 | Very low | 31.4 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -138.2 | 159.5 | 143.3 | -107.6 | -80.4 | 0 | 0 | 0 | 111.8 | ||||
| 411 | T | 34.1 | Very low | 31.5 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -109.9 | 149.2 | -153 | 46.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 412 | G | 31.6 | Very low | 31.3 | Very low | 73 Ų | 73 | 156.2 Ų | 156.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -134.7 | 0.4 | -161.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 413 | R | 39.8 | Very low | 31.4 | Very low | 258 Ų | 258 | 158.6 Ų | 158.6 | 97% | 0.974 | 78% | 0.782 | S | S | * | * | trans | 72.5 | 155.8 | 171.7 | -52.4 | -179.4 | 178 | -170.4 | -2.3 | 118.6 | ||||
| 414 | R | 31.6 | Very low | 31.1 | Very low | 236 Ų | 236 | 161 Ų | 161 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -96.6 | 162.2 | 178.8 | -61.5 | 170.3 | 164.9 | -179.7 | -6.9 | 111.6 | ||||
| 415 | L | 29 | Very low | 31.1 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | -162.3 | 163.9 | 113.3 | -131.4 | 69.8 | 0 | 0 | 0 | 114.3 | |||||
| 416 | L | 31.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 158.8 Ų | 158.8 | 71% | 0.707 | 79% | 0.787 | S | S | * | * | trans | -39.4 | 149.1 | 177.1 | -60.9 | 165.3 | 0 | 0 | 0 | 115.5 | ||||
| 417 | E | 28.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 159.4 Ų | 159.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | cis | 79 | 117.9 | 43.7 | -175.1 | 177.4 | -153.7 | 0 | 0 | 114.4 | ||||
| 418 | M | 30.3 | Very low | 31.1 | Very low | 172 Ų | 172 | 158.1 Ų | 158.1 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 164.4 | 108.7 | 163.3 | -93.4 | 178.1 | 82.2 | 0 | 0 | 104.7 | ||||
| 419 | E | 30.6 | Very low | 30.8 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | 62.2 | 103 | 64.6 | -165 | -176 | -169.5 | 0 | 0 | 114.2 | |||||
| 420 | Q | 29.7 | Very low | 31.1 | Very low | 198 Ų | 198 | 160.4 Ų | 160.4 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -156.7 | 149.5 | 131.1 | -158 | 161.8 | 20.7 | 0 | 0 | 111.1 | ||||
| 421 | Q | 30.9 | Very low | 31 | Very low | 142 Ų | 142 | 156.5 Ų | 156.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 138.6 | -169.6 | 166.8 | -174.6 | -20.2 | 0 | 0 | 110.6 | ||||
| 422 | Q | 27.5 | Very low | 30.7 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -159.6 | 149.5 | 157.8 | -151.3 | 71 | 84 | 0 | 0 | 111.5 | ||||
| 423 | E | 29.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 162.5 Ų | 162.5 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | trans | -118.7 | 169.3 | -166.4 | -47.6 | 126.5 | 86.8 | 0 | 0 | 114.5 | ||||
| 424 | R | 26 | Very low | 29.9 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 155.7 | 121.3 | 126.2 | -74.3 | -108.3 | -80.6 | 169.5 | -6.6 | 110.3 | |||||
| 425 | Q | 29.2 | Very low | 29.8 | Very low | 158 Ų | 158 | 151 Ų | 151 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | 67.9 | 135.8 | 77 | -83.5 | -174.5 | -14.3 | 0 | 0 | 114.2 | |||||
| 426 | A | 25.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | cis | -156.5 | 179 | 3.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 427 | D | 25.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -85 | -169.6 | 179.9 | -145.9 | 32.7 | 0 | 0 | 0 | 111.7 | ||||
| 428 | P | 43.8 | Very low | 30.5 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -145.5 | -179.6 | 11.2 | 44.4 | -22.5 | 0 | 0 | 0 | 120.8 | ||||
| 429 | Q | 28.1 | Very low | 30.2 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -68.9 | 164.9 | 167 | -84 | -89.6 | -12.8 | 0 | 0 | 114.9 | ||||
| 430 | P | 38.8 | Very low | 30 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | -160.5 | 143.7 | 101.3 | 38.3 | -17.5 | 0 | 0 | 0 | 120.7 | |||||
| 431 | L | 28.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | 60 | 161 | 131.8 | -56.3 | 170.9 | 0 | 0 | 0 | 120.8 | ||||
| 432 | Q | 28 | Very low | 30.3 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | cis | -164.8 | 151.3 | 2.9 | -133.7 | 167.1 | 17.8 | 0 | 0 | 114.1 | ||||
| 433 | K | 25.1 | Very low | 30.2 | Very low | 179 Ų | 179 | 144 Ų | 144 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | trans | 56.1 | 158.6 | 142.8 | -92.4 | -158.4 | 167.3 | -155.3 | 0 | 122.3 | ||||
| 434 | V | 30 | Very low | 30.1 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | cis | -167.1 | 157.3 | -16.6 | 86.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 435 | E | 29.7 | Very low | 30.2 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 44.4 | 161.5 | 158.4 | -68.9 | 150.2 | 131.5 | 0 | 0 | 121 | ||||
| 436 | D | 26.1 | Very low | 30.2 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | -149.7 | -171.4 | 5.5 | -150.4 | -18 | 0 | 0 | 0 | 113.1 | ||||
| 437 | K | 30.8 | Very low | 30.4 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -99.2 | -167 | 179.1 | -129.2 | -172.5 | 156.6 | -166.5 | 0 | 111.1 | ||||
| 438 | P | 45.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | cis | -137.3 | -166 | -18.9 | 29.1 | -3.8 | 0 | 0 | 0 | 115.5 | ||||
| 439 | E | 24.6 | Very low | 29.5 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | 115.4 | 157.4 | 145 | -52.3 | -135.3 | 142 | 0 | 0 | 120.6 | ||||
| 440 | K | 27 | Very low | 29.5 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -155.5 | 148.7 | -166.6 | -171.2 | -161 | -173.4 | -169.8 | 0 | 108.4 | E442 | K440-E442 HydrophobicContact CD-CG 4.38Å; K440-E442 WeakPolarHBondContact CE-OE1 3.1Å; K440-E442 IonicContact NZ-OE1 2.8Å; K440-E442 PolarHBondContact NZ-OE1 3.37Å | ||
| 441 | P | 40.1 | Very low | 29 | Very low | 128 Ų | 128 | 148 Ų | 148 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -140.6 | -164.1 | 128.2 | 36.3 | -21 | 0 | 0 | 0 | 113.8 | |||||
| 442 | E | 25.7 | Very low | 29 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -134.8 | -166.9 | -159.9 | -53.5 | -176.9 | 151 | 0 | 0 | 113.3 | K440 | K440-E442 HydrophobicContact CD-CG 4.38Å; K440-E442 WeakPolarHBondContact CE-OE1 3.1Å; K440-E442 IonicContact NZ-OE1 2.8Å; K440-E442 PolarHBondContact NZ-OE1 3.37Å | ||
| 443 | S | 26.1 | Very low | 29 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 84.1 | 139.7 | 177.9 | -156.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 444 | G | 27.4 | Very low | 29.2 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | cis | 148.2 | 136 | -7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 445 | G | 27.3 | Very low | 29.1 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 138 | 121.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 446 | D | 29.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -56.5 | 159 | -179.6 | -49.1 | -63 | 0 | 0 | 0 | 115.5 | ||||
| 447 | E | 30.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | -176.3 | 171.4 | 68.3 | -118.8 | -66 | 155.4 | 0 | 0 | 112.9 | |||||
| 448 | R | 25.8 | Very low | 29.1 | Very low | 220 Ų | 220 | 147.7 Ų | 147.7 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 83.5 | 74.1 | 147.8 | -146.3 | 171.8 | -166.2 | 173.8 | 4.8 | 122.6 | ||||
| 449 | W | 25.2 | Very low | 28.7 | Very low | 230 Ų | 230 | 149.1 Ų | 149.1 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | 28.5 | 110 | 130 | -66.6 | 87.1 | 0 | 0 | 0 | 120.7 | ||||
| 450 | K | 27.7 | Very low | 28.7 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | -167.5 | 118.9 | 112.9 | -120.2 | -171.7 | 176.7 | -172.3 | 0 | 114.9 | |||||
| 451 | G | 28.7 | Very low | 28.7 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 35.2 | 94.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 452 | G | 27.7 | Very low | 28.1 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | -71.9 | -172.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 453 | E | 28.2 | Very low | 28.3 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | cis | -173.4 | 165.9 | 0.6 | -118.9 | 163.2 | -117.7 | 0 | 0 | 106.2 | ||||
| 454 | A | 29.2 | Very low | 28.2 | Very low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | cis | -149.4 | -179.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 455 | E | 28.5 | Very low | 28.5 | Very low | 163 Ų | 163 | 162.6 Ų | 162.6 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -64 | 163.9 | -179.5 | -49.5 | -178.5 | 122.2 | 0 | 0 | 115.5 | ||||
| 456 | R | 29.3 | Very low | 28.8 | Very low | 245 Ų | 245 | 165.5 Ų | 165.5 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | -156 | 133.4 | 129.2 | -126.4 | 174.5 | -66 | 173.9 | 1.7 | 113.8 | |||||
| 457 | Y | 27.7 | Very low | 29.3 | Very low | 214 Ų | 214 | 165.3 Ų | 165.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -72 | 151.9 | 171.2 | -100.8 | -108.8 | 0 | 0 | 0 | 112.7 | ||||
| 458 | A | 28.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 161.4 Ų | 161.4 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -96.2 | -177.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 459 | P | 37.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | cis | -113 | -166.5 | 2.6 | 44.6 | -31.8 | 0 | 0 | 0 | 112.1 | ||||
| 460 | E | 24 | Very low | 30.9 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -131.8 | 173.2 | 3.1 | -53.7 | -177.8 | 106.7 | 0 | 0 | 111.9 | ||||
| 461 | S | 26.9 | Very low | 31.3 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 145.5 | 137.9 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 462 | Y | 27.9 | Very low | 32.1 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -79.9 | 138.4 | -177.2 | -84.8 | -118.2 | 0 | 0 | 0 | 111.9 | ||||
| 463 | Q | 30 | Very low | 32.8 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -67.2 | 140.5 | 170.6 | -74 | -176 | -21.4 | 0 | 0 | 111.8 | ||||
| 464 | F | 24 | Very low | 33.6 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -117.4 | 129.7 | 164.2 | -136.3 | -91.4 | 0 | 0 | 0 | 108.7 | ||||
| 465 | R | 33.4 | Very low | 34.5 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -71 | 137.1 | 179.7 | -84.1 | -173.5 | 171.1 | -170.3 | -3.2 | 111 | ||||
| 466 | N | 34.3 | Very low | 35.4 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 145 | 169.3 | -164.2 | -11.1 | 0 | 0 | 0 | 109.8 | S468 | N466-S468 WeakPolarHBondContact OD1-CB 3.45Å; N466-S468 PolarHBondContact OD1-N 3.19Å; N466-S468 VanDerWaalsContact OD1-N 3.17Å | ||
| 467 | L | 40.8 | Very low | 36.3 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -124.8 | 18.4 | -178.3 | -89 | 169.7 | 0 | 0 | 0 | 112.5 | ||||
| 468 | S | 36.1 | Very low | 37.5 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 56% | 0.559 | 71% | 0.714 | S | S | * | * | trans | -77.8 | -22.5 | -172.7 | -162.2 | 0 | 0 | 0 | 0 | 115.6 | N466 M470 | N466-S468 WeakPolarHBondContact OD1-CB 3.45Å; N466-S468 PolarHBondContact OD1-N 3.19Å; N466-S468 VanDerWaalsContact OD1-N 3.17Å; S468-M470 PolarHBondContact O-N 3Å | ||
| 469 | D | 38.1 | Very low | 38.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -72.1 | -31.8 | -167.9 | -68.5 | -22.3 | 0 | 0 | 0 | 114 | F471 S472 | D469-F471 PolarHBondContact O-N 3.2Å; D469-S472 PolarHBondContact O-N 3.25Å |
| 470 | M | 39.8 | Very low | 39.3 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 82% | 0.823 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -74 | 4.6 | -174 | -66.9 | -143.7 | 73.9 | 0 | 0 | 115.4 | S468 | S468-M470 PolarHBondContact O-N 3Š|
| 471 | F | 36.6 | Very low | 40.5 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 74% | 0.737 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -115.8 | 0.5 | 179.5 | -81.2 | -79.9 | 0 | 0 | 0 | 114.5 | D469 | D469-F471 PolarHBondContact O-N 3.2Š|
| 472 | S | 45.6 | Very low | 41.9 | Very low | 62 Ų | 62 | 132.2 Ų | 132.2 | 43% | 0.434 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -51.3 | 176.5 | -151.1 | 0 | 0 | 0 | 0 | 111.7 | D469 M474 K475 D476 | D469-S472 PolarHBondContact O-N 3.25Å; S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.28Å; S472-M474 VanDerWaalsContact O-N 3.16Å; S472-K475 WeakPolarHBondContact O-CA 3.31Å; S472-K475 WeakPolarHBondContact O-CB 3.32Å; S472-K475 PolarHBondContact O-N 3.01Å; S472-D476 PolarHBondContact O-N 3.24Å |
| 473 | D | 41.7 | Very low | 42.9 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.7 | -33.5 | -170.1 | -56.8 | -1.8 | 0 | 0 | 0 | 114.2 | K475 L477 | D473-K475 VanDerWaalsContact C-N 3.27Å; D473-K475 PolarHBondContact O-N 3.45Å; D473-L477 WeakPolarHBondContact O-CG 3.48Å; D473-L477 PolarHBondContact O-N 3.05Å |
| 474 | M | 45.3 | Very low | 43.8 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.5 | -21.7 | 174.9 | -84.5 | -164.9 | 174.3 | 0 | 0 | 113.6 | S472 V478 | S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.28Å; S472-M474 VanDerWaalsContact O-N 3.16Å; M474-V478 VanDerWaalsContact O-CG2 3.27Å; M474-V478 WeakPolarHBondContact O-CG2 3.38Å |
| 475 | K | 48.7 | Very low | 44.9 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 60% | 0.6 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.5 | -42.4 | -178.1 | -163.8 | -173.4 | 174.8 | -157.6 | 0 | 111 | S472 D473 L477 V478 L479 | S472-K475 WeakPolarHBondContact O-CA 3.31Å; S472-K475 WeakPolarHBondContact O-CB 3.32Å; S472-K475 PolarHBondContact O-N 3.01Å; D473-K475 VanDerWaalsContact C-N 3.27Å; D473-K475 PolarHBondContact O-N 3.45Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-V478 PolarHBondContact O-N 3.43Å; K475-L479 HydrophobicContact CG-CD1 4.49Å; K475-L479 PolarHBondContact O-N 2.74Å |
| 476 | D | 47.9 | Very low | 45.7 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -80.3 | -14.3 | -177.6 | -62.5 | -17.7 | 0 | 0 | 0 | 112.9 | S472 P480 | S472-D476 PolarHBondContact O-N 3.24Å; D476-P480 WeakPolarHBondContact O-CD 3.48Å; D476-P480 VanDerWaalsContact O-CG 3.26Å; D476-P480 WeakPolarHBondContact O-CG 3.41Å |
| 477 | L | 46.9 | Very low | 46.4 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -80.4 | -25.8 | 167.2 | -72.9 | 170.1 | 0 | 0 | 0 | 113.4 | D473 K475 | D473-L477 WeakPolarHBondContact O-CG 3.48Å; D473-L477 PolarHBondContact O-N 3.05Å; K475-L477 VanDerWaalsContact C-N 3.33Å |
| 478 | V | 54.3 | Low | 46.6 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -91.5 | -30.2 | -174.9 | 169.7 | 0 | 0 | 0 | 0 | 112.5 | M474 K475 I482 | M474-V478 VanDerWaalsContact O-CG2 3.27Å; M474-V478 WeakPolarHBondContact O-CG2 3.38Å; K475-V478 PolarHBondContact O-N 3.43Å; V478-I482 HydrophobicContact CG1-CD1 3.64Å; V478-I482 HydrophobicContact CG1-CG1 4.37Å; V478-I482 VanDerWaalsContact O-CG1 3.29Å; V478-I482 WeakPolarHBondContact O-CG1 3.5Å; V478-I482 PolarHBondContact O-N 2.88Å |
| 479 | L | 52.7 | Low | 46.8 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 47% | 0.466 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.1 | -47.4 | 177.7 | -75 | 164.3 | 0 | 0 | 0 | 113.9 | K475 D481 I482 E483 | K475-L479 HydrophobicContact CG-CD1 4.49Å; K475-L479 PolarHBondContact O-N 2.74Å; L479-D481 PolarHBondContact O-N 2.79Å; L479-I482 PolarHBondContact O-N 2.74Å; L479-E483 PolarHBondContact O-N 3.18Å |
| 480 | P | 51.2 | Low | 47.2 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 47% | 0.468 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.5 | -37.7 | -177.1 | -23.3 | 34.9 | 0 | 0 | 0 | 113.6 | D476 E483 R484 | D476-P480 WeakPolarHBondContact O-CD 3.48Å; D476-P480 VanDerWaalsContact O-CG 3.26Å; D476-P480 WeakPolarHBondContact O-CG 3.41Å; P480-E483 PolarHBondContact O-N 2.69Å; P480-R484 PolarHBondContact O-N 2.8Å |
| 481 | D | 48.8 | Very low | 47.4 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 44% | 0.444 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.4 | -38.8 | 176.6 | -86.3 | -11.4 | 0 | 0 | 0 | 111.4 | L479 R484 Y485 | L479-D481 PolarHBondContact O-N 2.79Å; D481-R484 VanDerWaalsContact O-CB 3.28Å; D481-R484 WeakPolarHBondContact O-CB 3.28Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 VanDerWaalsContact O-N 3.16Å; D481-Y485 WeakPolarHBondContact O-CD2 3.46Å; D481-Y485 PolarHBondContact O-N 3.1Å |
| 482 | I | 56.4 | Low | 48 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 40% | 0.395 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.6 | -45.5 | 174.5 | -71.7 | 172.1 | 0 | 0 | 0 | 111.1 | V478 L479 R484 Y485 F486 | V478-I482 HydrophobicContact CG1-CD1 3.64Å; V478-I482 HydrophobicContact CG1-CG1 4.37Å; V478-I482 VanDerWaalsContact O-CG1 3.29Å; V478-I482 WeakPolarHBondContact O-CG1 3.5Å; V478-I482 PolarHBondContact O-N 2.88Å; L479-I482 PolarHBondContact O-N 2.74Å; I482-R484 VanDerWaalsContact C-N 3.26Å; I482-R484 PolarHBondContact O-N 3.01Å; I482-Y485 PolarHBondContact O-N 3.36Å; I482-F486 HydrophobicContact CG2-CD2 3.78Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.3Å; I482-F486 WeakPolarHBondContact O-CD2 3.35Å; I482-F486 PolarHBondContact O-N 3.33Å |
| 483 | E | 48.7 | Very low | 48.7 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.1 | -34.8 | 174.7 | -68.6 | -164.4 | 139 | 0 | 0 | 112.2 | L479 P480 F486 T487 | L479-E483 PolarHBondContact O-N 3.18Å; P480-E483 PolarHBondContact O-N 2.69Å; E483-F486 PolarHBondContact O-N 3.03Å; E483-T487 WeakPolarHBondContact O-CB 3.48Å; E483-T487 PolarHBondContact O-N 3Å; E483-T487 PolarHBondContact O-OG1 2.92Å |
| 484 | R | 48.6 | Very low | 49.4 | Very low | 173 Ų | 173 | 126 Ų | 126 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.6 | -42.8 | 173.2 | -125.8 | 175.7 | -170.4 | 155.3 | 4.4 | 112.5 | P480 D481 I482 T487 S488 | P480-R484 PolarHBondContact O-N 2.8Å; D481-R484 VanDerWaalsContact O-CB 3.28Å; D481-R484 WeakPolarHBondContact O-CB 3.28Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 VanDerWaalsContact O-N 3.16Å; I482-R484 VanDerWaalsContact C-N 3.26Å; I482-R484 PolarHBondContact O-N 3.01Å; R484-T487 PolarHBondContact O-N 3.47Å; R484-S488 VanDerWaalsContact O-CB 3.25Å; R484-S488 WeakPolarHBondContact O-CB 3.43Å; R484-S488 PolarHBondContact O-N 3.38Å; R484-S488 PolarHBondContact O-OG 2.95Å |
| 485 | Y | 46.8 | Very low | 50.7 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.4 | -39.3 | 176.6 | -76.1 | -64.5 | 0 | 0 | 0 | 112.5 | D481 I482 S489 | D481-Y485 WeakPolarHBondContact O-CD2 3.46Å; D481-Y485 PolarHBondContact O-N 3.1Å; I482-Y485 PolarHBondContact O-N 3.36Å; Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 2.67Å |
| 486 | F | 50.3 | Low | 51.9 | Low | 168 Ų | 168 | 126.5 Ų | 126.5 | 74% | 0.737 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.5 | -32.3 | 173.9 | -79 | -66.7 | 0 | 0 | 0 | 113.3 | I482 E483 | I482-F486 HydrophobicContact CG2-CD2 3.78Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.3Å; I482-F486 WeakPolarHBondContact O-CD2 3.35Å; I482-F486 PolarHBondContact O-N 3.33Å; E483-F486 PolarHBondContact O-N 3.03Å |
| 487 | T | 49.7 | Very low | 53.2 | Low | 115 Ų | 115 | 126.1 Ų | 126.1 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.9 | -26.5 | 179.5 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | E483 R484 | E483-T487 WeakPolarHBondContact O-CB 3.48Å; E483-T487 PolarHBondContact O-N 3Å; E483-T487 PolarHBondContact O-OG1 2.92Å; R484-T487 PolarHBondContact O-N 3.47Å |
| 488 | S | 45.1 | Very low | 54.5 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -92.9 | -2.4 | -176.8 | -49.5 | 0 | 0 | 0 | 0 | 114.4 | R484 | R484-S488 VanDerWaalsContact O-CB 3.25Å; R484-S488 WeakPolarHBondContact O-CB 3.43Å; R484-S488 PolarHBondContact O-N 3.38Å; R484-S488 PolarHBondContact O-OG 2.95Å |
| 489 | S | 39.9 | Very low | 55.9 | Low | 64 Ų | 64 | 122 Ų | 122 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -97.8 | 118.9 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | Y485 C491 | Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 2.67Å; S489-C491 PolarHBondContact O-N 3.02Å |
| 490 | D | 46.3 | Very low | 57.2 | Low | 136 Ų | 136 | 122.6 Ų | 122.6 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -75.1 | 51 | -179.7 | -161 | -2.5 | 0 | 0 | 0 | 112.4 | R492 | D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.06Å; D490-R492 IonicContact OD1-NE 3.91Å | ||
| 491 | C | 43.8 | Very low | 59.1 | Low | 91 Ų | 91 | 124.8 Ų | 124.8 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -83.9 | 71.2 | -174.7 | -73.7 | 0 | 0 | 0 | 0 | 111 | S489 Q493 F494 | S489-C491 PolarHBondContact O-N 3.02Å; C491-Q493 PolarHBondContact O-N 2.96Å; C491-F494 PolarHBondContact O-N 3.34Å | ||
| 492 | R | 50 | Low | 60.9 | Low | 223 Ų | 223 | 124.8 Ų | 124.8 | 84% | 0.842 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 19.3 | 179 | -68.8 | -177.9 | 165.6 | -115.8 | -1 | 116.5 | D490 | D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.06Å; D490-R492 IonicContact OD1-NE 3.91Å |
| 493 | Q | 60.3 | Low | 62.5 | Low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 4.2 | -173.2 | -71.8 | -178.7 | -19.5 | 0 | 0 | 114.8 | C491 | C491-Q493 PolarHBondContact O-N 2.96Š|
| 494 | F | 55.4 | Low | 64.3 | Low | 169 Ų | 169 | 120.1 Ų | 120.1 | 74% | 0.741 | 59% | 0.589 | S | S | * | * | trans | -103 | 117.1 | 167.5 | -106.6 | -90.9 | 0 | 0 | 0 | 111.5 | C491 R496 | C491-F494 PolarHBondContact O-N 3.34Å; F494-R496 PolarHBondContact O-N 3.31Å | ||
| 495 | N | 72.3 | Confident | 66.3 | Low | 92 Ų | 92 | 116.3 Ų | 116.3 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | trans | -70.2 | 110.2 | 170.9 | -179.2 | -32.8 | 0 | 0 | 0 | 108.7 | S497 E498 S499 | N495-S497 PolarHBondContact O-N 2.88Å; N495-S497 VanDerWaalsContact OD1-CB 3.29Å; N495-S497 WeakPolarHBondContact OD1-CB 3.46Å; N495-S497 PolarHBondContact OD1-N 3.41Å; N495-E498 HydrophobicContact CB-CB 4.11Å; N495-E498 HydrophobicContact CB-CG 4.09Å; N495-E498 PolarHBondContact O-N 2.81Å; N495-E498 PolarHBondContact OD1-N 3.28Å; N495-S499 PolarHBondContact O-N 2.89Å | ||
| 496 | R | 73.8 | Confident | 68.4 | Low | 204 Ų | 204 | 113.5 Ų | 113.5 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58 | -37.3 | -176.5 | -168.4 | 172.8 | -178 | 160.6 | 1.3 | 111.9 | F494 S499 L500 | F494-R496 PolarHBondContact O-N 3.31Å; R496-S499 WeakPolarHBondContact CA-OG 3.33Å; R496-S499 PolarHBondContact O-N 3.1Å; R496-S499 PolarHBondContact O-OG 3.4Å; R496-L500 PolarHBondContact O-N 3.34Å |
| 497 | S | 77.1 | Confident | 70.2 | Confident | 89 Ų | 89 | 111.9 Ų | 111.9 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.4 | -46.9 | 178.7 | -44 | 0 | 0 | 0 | 0 | 112.1 | N495 S499 L500 R501 | N495-S497 PolarHBondContact O-N 2.88Å; N495-S497 VanDerWaalsContact OD1-CB 3.29Å; N495-S497 WeakPolarHBondContact OD1-CB 3.46Å; N495-S497 PolarHBondContact OD1-N 3.41Å; S497-S499 VanDerWaalsContact C-N 3.32Å; S497-S499 PolarHBondContact O-N 3.33Å; S497-L500 PolarHBondContact O-N 2.89Å; S497-R501 PolarHBondContact O-N 2.98Å |
| 498 | E | 73.4 | Confident | 72 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.8 | -72.4 | -63.1 | 121 | 0 | 0 | 111.4 | N495 L500 R501 L502 | N495-E498 HydrophobicContact CB-CB 4.11Å; N495-E498 HydrophobicContact CB-CG 4.09Å; N495-E498 PolarHBondContact O-N 2.81Å; N495-E498 PolarHBondContact OD1-N 3.28Å; E498-L500 VanDerWaalsContact C-N 3.28Å; E498-L500 PolarHBondContact O-N 3.09Å; E498-R501 VanDerWaalsContact CD-NH1 3.29Å; E498-R501 PolarHBondContact O-N 2.97Å; E498-R501 IonicContact OE1-CZ 3.21Å; E498-R501 IonicContact OE1-NH1 3.63Å; E498-R501 PolarHBondContact OE1-NH1 3.32Å; E498-R501 IonicContact OE1-NH2 2.74Å; E498-R501 IonicContact OE2-CZ 3.82Å; E498-R501 IonicContact OE2-NH1 3.35Å; E498-R501 PolarHBondContact OE2-NH1 2.92Å; E498-R501 IonicContact OE2-NH2 2.88Å; E498-R501 PolarHBondContact OE2-NH2 3.32Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 VanDerWaalsContact O-CG 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.18Å; E498-L502 PolarHBondContact O-N 2.83Å |
| 499 | S | 83.4 | Confident | 73.9 | Confident | 44 Ų | 44 | 110.3 Ų | 110.3 | 31% | 0.308 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | 177.9 | 78 | 0 | 0 | 0 | 0 | 112.8 | N495 R496 S497 A503 | N495-S499 PolarHBondContact O-N 2.89Å; R496-S499 WeakPolarHBondContact CA-OG 3.33Å; R496-S499 PolarHBondContact O-N 3.1Å; R496-S499 PolarHBondContact O-OG 3.4Å; S497-S499 VanDerWaalsContact C-N 3.32Å; S497-S499 PolarHBondContact O-N 3.33Å; S499-A503 WeakPolarHBondContact O-CB 3.4Å; S499-A503 PolarHBondContact O-N 3.33Å; S499-A503 VanDerWaalsContact O-N 3.12Å |
| 500 | L | 80.8 | Confident | 76.3 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.7 | -48.9 | 173.4 | -123.7 | 79.9 | 0 | 0 | 0 | 111.2 | R496 S497 E498 L502 A503 D504 | R496-L500 PolarHBondContact O-N 3.34Å; S497-L500 PolarHBondContact O-N 2.89Å; E498-L500 VanDerWaalsContact C-N 3.28Å; E498-L500 PolarHBondContact O-N 3.09Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.17Å; L500-A503 WeakPolarHBondContact O-CA 3.37Å; L500-A503 WeakPolarHBondContact O-CB 2.81Å; L500-A503 PolarHBondContact O-N 2.97Å; L500-D504 PolarHBondContact O-N 3.44Å |
| 501 | R | 89.9 | Confident | 78 | Confident | 118 Ų | 118 | 110.2 Ų | 110.2 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 179.8 | -161.7 | -171.8 | 71.6 | -113 | -17.7 | 111.5 | S497 E498 A503 D504 E505 | S497-R501 PolarHBondContact O-N 2.98Å; E498-R501 VanDerWaalsContact CD-NH1 3.29Å; E498-R501 PolarHBondContact O-N 2.97Å; E498-R501 IonicContact OE1-CZ 3.21Å; E498-R501 IonicContact OE1-NH1 3.63Å; E498-R501 PolarHBondContact OE1-NH1 3.32Å; E498-R501 IonicContact OE1-NH2 2.74Å; E498-R501 IonicContact OE2-CZ 3.82Å; E498-R501 IonicContact OE2-NH1 3.35Å; E498-R501 PolarHBondContact OE2-NH1 2.92Å; E498-R501 IonicContact OE2-NH2 2.88Å; E498-R501 PolarHBondContact OE2-NH2 3.32Å; R501-A503 VanDerWaalsContact C-N 3.31Å; R501-A503 PolarHBondContact O-N 2.94Å; R501-D504 PolarHBondContact O-N 2.88Å; R501-E505 IonicContact CZ-OE1 2.78Å; R501-E505 IonicContact NE-OE1 3.72Å; R501-E505 PolarHBondContact NE-OE1 2.97Å; R501-E505 IonicContact NH2-OE1 3.55Å; R501-E505 WeakPolarHBondContact O-CB 3.44Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.45Å |
| 502 | L | 87.4 | Confident | 80.1 | Confident | 82 Ų | 82 | 113.7 Ų | 113.7 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 173.8 | -73.2 | 167.1 | 0 | 0 | 0 | 112.1 | E498 L500 L506 | E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 VanDerWaalsContact O-CG 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.18Å; E498-L502 PolarHBondContact O-N 2.83Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.17Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CD1 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.94Å |
| 503 | A | 89.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 107.5 Ų | 107.5 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S499 L500 R501 R507 | S499-A503 WeakPolarHBondContact O-CB 3.4Å; S499-A503 PolarHBondContact O-N 3.33Å; S499-A503 VanDerWaalsContact O-N 3.12Å; L500-A503 WeakPolarHBondContact O-CA 3.37Å; L500-A503 WeakPolarHBondContact O-CB 2.81Å; L500-A503 PolarHBondContact O-N 2.97Å; R501-A503 VanDerWaalsContact C-N 3.31Å; R501-A503 PolarHBondContact O-N 2.94Å; A503-R507 WeakPolarHBondContact O-CB 3.2Å; A503-R507 VanDerWaalsContact O-CG 3.3Å; A503-R507 WeakPolarHBondContact O-CG 3.49Å; A503-R507 PolarHBondContact O-N 3.34Å |
| 504 | D | 86.8 | Confident | 82.3 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.6 | -38.9 | 174.2 | -81.3 | -55 | 0 | 0 | 0 | 113.6 | L500 R501 L506 R507 G508 | L500-D504 PolarHBondContact O-N 3.44Å; R501-D504 PolarHBondContact O-N 2.88Å; D504-L506 VanDerWaalsContact C-N 3.3Å; D504-L506 PolarHBondContact O-N 3.11Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 IonicContact OD1-CZ 3.09Å; D504-R507 IonicContact OD1-NE 3.6Å; D504-R507 PolarHBondContact OD1-NE 3.34Å; D504-R507 IonicContact OD1-NH2 2.65Å; D504-R507 PolarHBondContact OD1-NH2 3.37Å; D504-R507 IonicContact OD2-CZ 2.6Å; D504-R507 IonicContact OD2-NH2 2.76Å; D504-R507 PolarHBondContact OD2-NH2 2.87Å; D504-G508 PolarHBondContact O-N 2.95Å |
| 505 | E | 91.6 | Very high | 83.2 | Confident | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 171.5 | -75.4 | 178.5 | -136.2 | 0 | 0 | 110.9 | R501 G508 W509 | R501-E505 IonicContact CZ-OE1 2.78Å; R501-E505 IonicContact NE-OE1 3.72Å; R501-E505 PolarHBondContact NE-OE1 2.97Å; R501-E505 IonicContact NH2-OE1 3.55Å; R501-E505 WeakPolarHBondContact O-CB 3.44Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.45Å; E505-G508 PolarHBondContact O-N 2.88Å; E505-W509 VanDerWaalsContact O-CB 3.3Å; E505-W509 WeakPolarHBondContact O-CB 3.35Å; E505-W509 PolarHBondContact O-N 2.89Å |
| 506 | L | 89.1 | Confident | 83.1 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 174.8 | -73.1 | 168.9 | 0 | 0 | 0 | 112.5 | L502 D504 G508 W509 V510 | L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CD1 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.94Å; D504-L506 VanDerWaalsContact C-N 3.3Å; D504-L506 PolarHBondContact O-N 3.11Å; L506-G508 PolarHBondContact O-N 3.25Å; L506-W509 PolarHBondContact O-N 3.39Å; L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 2.66Å |
| 507 | R | 88.1 | Confident | 82.9 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 172.4 | -78.9 | -177.2 | -77.9 | -96.5 | 12.3 | 110.8 | A503 D504 W509 V510 H511 | A503-R507 WeakPolarHBondContact O-CB 3.2Å; A503-R507 VanDerWaalsContact O-CG 3.3Å; A503-R507 WeakPolarHBondContact O-CG 3.49Å; A503-R507 PolarHBondContact O-N 3.34Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 IonicContact OD1-CZ 3.09Å; D504-R507 IonicContact OD1-NE 3.6Å; D504-R507 PolarHBondContact OD1-NE 3.34Å; D504-R507 IonicContact OD1-NH2 2.65Å; D504-R507 PolarHBondContact OD1-NH2 3.37Å; D504-R507 IonicContact OD2-CZ 2.6Å; D504-R507 IonicContact OD2-NH2 2.76Å; D504-R507 PolarHBondContact OD2-NH2 2.87Å; R507-W509 VanDerWaalsContact C-N 3.34Å; R507-W509 PolarHBondContact O-N 3.17Å; R507-V510 PolarHBondContact O-N 2.89Å; R507-H511 WeakPolarHBondContact O-CB 3.2Å; R507-H511 PolarHBondContact O-N 3.41Å |
| 508 | G | 87.7 | Confident | 82.5 | Confident | 25 Ų | 25 | 100.4 Ų | 100.4 | 26% | 0.258 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -31.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D504 E505 L506 R512 | D504-G508 PolarHBondContact O-N 2.95Å; E505-G508 PolarHBondContact O-N 2.88Å; L506-G508 PolarHBondContact O-N 3.25Å; G508-R512 WeakPolarHBondContact O-CB 3.36Å; G508-R512 WeakPolarHBondContact O-CG 3.47Å; G508-R512 PolarHBondContact O-N 3.28Å; G508-R512 PolarHBondContact O-NE 3.37Å |
| 509 | W | 84.5 | Confident | 82 | Confident | 151 Ų | 151 | 105 Ų | 105 | 57% | 0.572 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.6 | -48.6 | 173.9 | -172.9 | 92 | 0 | 0 | 0 | 111.4 | E505 L506 R507 H511 R512 H513 | E505-W509 VanDerWaalsContact O-CB 3.3Å; E505-W509 WeakPolarHBondContact O-CB 3.35Å; E505-W509 PolarHBondContact O-N 2.89Å; L506-W509 PolarHBondContact O-N 3.39Å; R507-W509 VanDerWaalsContact C-N 3.34Å; R507-W509 PolarHBondContact O-N 3.17Å; W509-H511 VanDerWaalsContact C-N 3.29Å; W509-H511 PolarHBondContact O-N 3.22Å; W509-R512 PolarHBondContact O-N 2.98Å; W509-H513 WeakPolarHBondContact O-CB 3.48Å; W509-H513 PolarHBondContact O-N 3.32Å |
| 510 | V | 91.6 | Very high | 80.4 | Confident | 81 Ų | 81 | 106.9 Ų | 106.9 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L506 R507 Q514 | L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 2.66Å; R507-V510 PolarHBondContact O-N 2.89Å; V510-Q514 WeakPolarHBondContact O-CB 3.41Å; V510-Q514 PolarHBondContact O-N 3.28Å |
| 511 | H | 82.1 | Confident | 78.7 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 177.9 | -161.3 | 80.4 | 0 | 0 | 0 | 112 | R507 W509 H513 Q514 I515 | R507-H511 WeakPolarHBondContact O-CB 3.2Å; R507-H511 PolarHBondContact O-N 3.41Å; W509-H511 VanDerWaalsContact C-N 3.29Å; W509-H511 PolarHBondContact O-N 3.22Å; H511-H513 PolarHBondContact O-N 3.37Å; H511-Q514 PolarHBondContact O-N 2.83Å; H511-I515 VanDerWaalsContact CD2-CD1 3.43Å; H511-I515 WeakPolarHBondContact CD2-CD1 3.5Å; H511-I515 WeakPolarHBondContact O-CG1 3.47Å; H511-I515 PolarHBondContact O-N 3.04Å |
| 512 | R | 86.7 | Confident | 76.4 | Confident | 164 Ų | 164 | 102.3 Ų | 102.3 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -46.2 | 175.3 | -78.6 | 174.2 | -76.9 | -167.4 | -1.4 | 112.3 | G508 W509 Q514 I515 D516 | G508-R512 WeakPolarHBondContact O-CB 3.36Å; G508-R512 WeakPolarHBondContact O-CG 3.47Å; G508-R512 PolarHBondContact O-N 3.28Å; G508-R512 PolarHBondContact O-NE 3.37Å; W509-R512 PolarHBondContact O-N 2.98Å; R512-Q514 VanDerWaalsContact C-N 3.33Å; R512-Q514 PolarHBondContact O-N 3.45Å; R512-I515 PolarHBondContact O-N 3.43Å; R512-D516 PolarHBondContact O-N 3.02Å |
| 513 | H | 73.2 | Confident | 74.2 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 43% | 0.431 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 176.4 | 179 | -125.2 | 0 | 0 | 0 | 112.4 | W509 H511 D516 R517 | W509-H513 WeakPolarHBondContact O-CB 3.48Å; W509-H513 PolarHBondContact O-N 3.32Å; H511-H513 PolarHBondContact O-N 3.37Å; H513-D516 PolarHBondContact O-N 2.94Å; H513-R517 WeakPolarHBondContact O-CB 3.47Å; H513-R517 VanDerWaalsContact O-CG 3.3Å; H513-R517 WeakPolarHBondContact O-CG 3.33Å; H513-R517 PolarHBondContact O-N 3.49Å |
| 514 | Q | 83.8 | Confident | 71.6 | Confident | 97 Ų | 97 | 111.3 Ų | 111.3 | 45% | 0.453 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.4 | -32.8 | 175.6 | -160.5 | -172.7 | 93.9 | 0 | 0 | 112.8 | V510 H511 R512 K518 | V510-Q514 WeakPolarHBondContact O-CB 3.41Å; V510-Q514 PolarHBondContact O-N 3.28Å; H511-Q514 PolarHBondContact O-N 2.83Å; R512-Q514 VanDerWaalsContact C-N 3.33Å; R512-Q514 PolarHBondContact O-N 3.45Å; Q514-K518 WeakPolarHBondContact O-CG 3.13Å; Q514-K518 PolarHBondContact O-N 3.43Å; Q514-K518 VanDerWaalsContact OE1-NZ 3.1Å |
| 515 | I | 74.8 | Confident | 69.2 | Low | 84 Ų | 84 | 117 Ų | 117 | 43% | 0.431 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -47.8 | 169.8 | -71.2 | 165.4 | 0 | 0 | 0 | 110.1 | H511 R512 R517 K518 K519 | H511-I515 VanDerWaalsContact CD2-CD1 3.43Å; H511-I515 WeakPolarHBondContact CD2-CD1 3.5Å; H511-I515 WeakPolarHBondContact O-CG1 3.47Å; H511-I515 PolarHBondContact O-N 3.04Å; R512-I515 PolarHBondContact O-N 3.43Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 2.93Å; I515-K518 CarbonylContact O-C 3.59Å; I515-K518 WeakPolarHBondContact O-CA 3.07Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 2.96Å; I515-K519 WeakPolarHBondContact O-CB 3.39Å; I515-K519 PolarHBondContact O-N 3.46Å |
| 516 | D | 69.5 | Low | 66.5 | Low | 97 Ų | 97 | 118.8 Ų | 118.8 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | -177.3 | -167.7 | 64.5 | 0 | 0 | 0 | 112.4 | R512 H513 K518 K519 S520 | R512-D516 PolarHBondContact O-N 3.02Å; H513-D516 PolarHBondContact O-N 2.94Å; D516-K518 PolarHBondContact O-N 2.92Å; D516-K519 PolarHBondContact O-N 3.26Å; D516-K519 VanDerWaalsContact O-N 3.16Å; D516-S520 WeakPolarHBondContact O-CB 3.34Å; D516-S520 PolarHBondContact O-N 2.98Å; D516-S520 PolarHBondContact O-OG 2.96Å |
| 517 | R | 70.4 | Confident | 63.9 | Low | 172 Ų | 172 | 118 Ų | 118 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -24.2 | 169.8 | -72.8 | -179 | 64.8 | 76.7 | 7.2 | 114.6 | H513 I515 S520 | H513-R517 WeakPolarHBondContact O-CB 3.47Å; H513-R517 VanDerWaalsContact O-CG 3.3Å; H513-R517 WeakPolarHBondContact O-CG 3.33Å; H513-R517 PolarHBondContact O-N 3.49Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 2.93Å; R517-S520 WeakPolarHBondContact CA-OG 2.96Å |
| 518 | K | 68.1 | Low | 61.7 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83.9 | -37.7 | 172.2 | -73 | 168.5 | 179.1 | 169.3 | 0 | 111.1 | Q514 I515 D516 G521 | Q514-K518 WeakPolarHBondContact O-CG 3.13Å; Q514-K518 PolarHBondContact O-N 3.43Å; Q514-K518 VanDerWaalsContact OE1-NZ 3.1Å; I515-K518 CarbonylContact O-C 3.59Å; I515-K518 WeakPolarHBondContact O-CA 3.07Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 2.96Å; D516-K518 PolarHBondContact O-N 2.92Å; K518-G521 PolarHBondContact O-N 3.03Å |
| 519 | K | 62.8 | Low | 59.3 | Low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.8 | -34.1 | 179.7 | -164.5 | 176.1 | -177.5 | -178.6 | 0 | 112.9 | I515 D516 G521 | I515-K519 WeakPolarHBondContact O-CB 3.39Å; I515-K519 PolarHBondContact O-N 3.46Å; D516-K519 PolarHBondContact O-N 3.26Å; D516-K519 VanDerWaalsContact O-N 3.16Å; K519-G521 PolarHBondContact O-N 3.28Å |
| 520 | S | 50.2 | Low | 56.7 | Low | 83 Ų | 83 | 127 Ų | 127 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 2.8 | 172.8 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | D516 R517 G522 | D516-S520 WeakPolarHBondContact O-CB 3.34Å; D516-S520 PolarHBondContact O-N 2.98Å; D516-S520 PolarHBondContact O-OG 2.96Å; R517-S520 WeakPolarHBondContact CA-OG 2.96Å; S520-G522 PolarHBondContact O-N 3.43Å |
| 521 | G | 44 | Very low | 54.1 | Low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | trans | -69.2 | 30.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117 | K518 K519 K523 | K518-G521 PolarHBondContact O-N 3.03Å; K519-G521 PolarHBondContact O-N 3.28Å; G521-K523 PolarHBondContact O-N 2.86Å | ||
| 522 | G | 42.7 | Very low | 51.8 | Low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | -62.3 | 127.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S520 A524 | S520-G522 PolarHBondContact O-N 3.43Å; G522-A524 PolarHBondContact O-N 3.01Å | ||
| 523 | K | 40.2 | Very low | 49.3 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -60.9 | 103.7 | -171.7 | -65.8 | -178.7 | -178.9 | 177.8 | 0 | 112.7 | G521 K525 | G521-K523 PolarHBondContact O-N 2.86Å; K523-K525 PolarHBondContact O-N 3.5Å | ||
| 524 | A | 35.7 | Very low | 47.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 73% | 0.732 | S | S | * | * | trans | -63.3 | 115.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G522 T526 | G522-A524 PolarHBondContact O-N 3.01Å; A524-T526 PolarHBondContact O-N 2.91Å | ||
| 525 | K | 36.3 | Very low | 45.2 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | -74.5 | 119.8 | 178.1 | -70.8 | -176.1 | 178.5 | 178.7 | 0 | 110.5 | K523 A527 | K523-K525 PolarHBondContact O-N 3.5Å; K525-A527 PolarHBondContact O-N 2.86Å; K525-A527 VanDerWaalsContact O-N 3.09Å | ||
| 526 | T | 35.6 | Very low | 43.1 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 102.9 | 176 | 52 | 0 | 0 | 0 | 0 | 111.6 | A524 K528 | A524-T526 PolarHBondContact O-N 2.91Å; T526-K528 PolarHBondContact O-N 2.84Å | ||
| 527 | A | 33.1 | Very low | 41.3 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 106 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | K525 K529 | K525-A527 PolarHBondContact O-N 2.86Å; K525-A527 VanDerWaalsContact O-N 3.09Å; A527-K529 PolarHBondContact O-N 3.42Å | ||
| 528 | K | 42.2 | Very low | 39.5 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -70 | 118.9 | 170.3 | -62.3 | 177.9 | -177.6 | 176.9 | 0 | 109.1 | T526 | T526-K528 PolarHBondContact O-N 2.84Š| ||
| 529 | K | 37.3 | Very low | 37.9 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -105.7 | 147.2 | 162.6 | -78.9 | -167 | 172.8 | -175.1 | 0 | 110.4 | A527 | A527-K529 PolarHBondContact O-N 3.42Š| ||
| 530 | A | 31.4 | Very low | 36.5 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 156.8 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 531 | K | 36.3 | Very low | 35.6 | Very low | 203 Ų | 203 | 153 Ų | 153 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 130.5 | 161.3 | -67.9 | 179.7 | 177.7 | 179.1 | 0 | 108.9 | ||||
| 532 | I | 34.1 | Very low | 34.9 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 82% | 0.815 | 83% | 0.83 | S | S | * | * | trans | -118.7 | 136 | 158.6 | -80.8 | 177.8 | 0 | 0 | 0 | 107.8 | ||||
| 533 | T | 34.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 161.1 Ų | 161.1 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -108.1 | 123.4 | -175.7 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 534 | Q | 38.6 | Very low | 33.9 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -137.2 | 135.3 | 163.8 | -96.4 | -173.3 | -7.5 | 0 | 0 | 111.5 | ||||
| 535 | K | 31.5 | Very low | 33.7 | Very low | 208 Ų | 208 | 161 Ų | 161 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -101.1 | 129.6 | 167.7 | -67.3 | 175.5 | 175.8 | 177 | 0 | 107.8 | ||||
| 536 | A | 30.6 | Very low | 33.4 | Very low | 97 Ų | 97 | 161.8 Ų | 161.8 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -146.4 | 93.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 537 | Q | 32.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | 19.1 | 104.5 | 147.3 | -61.8 | -175.8 | -14.3 | 0 | 0 | 120.5 | ||||
| 538 | L | 32.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 163.5 Ų | 163.5 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | -4.3 | 118.8 | 129 | -177.4 | 80.9 | 0 | 0 | 0 | 116.7 | K540 | L538-K540 HydrophobicContact CD1-CG 4.15Š| |||
| 539 | R | 34.3 | Very low | 32.7 | Very low | 248 Ų | 248 | 162.1 Ų | 162.1 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -131.4 | 136.3 | 139.4 | -76.1 | -166.7 | 174.7 | -176.3 | -0.6 | 109.7 | ||||
| 540 | K | 33.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 161.1 Ų | 161.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -94.1 | 139.1 | 174.1 | -64.6 | 179.3 | 178.9 | 178.5 | 0 | 109.4 | L538 | L538-K540 HydrophobicContact CD1-CG 4.15Š| ||
| 541 | A | 31.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 161.4 Ų | 161.4 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -116.8 | 140 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 542 | N | 30.1 | Very low | 31.8 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | -149.6 | 105.2 | -175.7 | 178.2 | 4.4 | 0 | 0 | 0 | 111.1 | ||||
| 543 | I | 32.3 | Very low | 31.8 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -153.8 | 120.5 | 149 | -79.4 | 116.1 | 0 | 0 | 0 | 103 | ||||
| 544 | S | 27.9 | Very low | 31.7 | Very low | 82 Ų | 82 | 161 Ų | 161 | 57% | 0.573 | 81% | 0.81 | S | S | * | * | cis | 97.7 | 121 | 25.6 | -168.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 545 | R | 32 | Very low | 31.7 | Very low | 218 Ų | 218 | 158.5 Ų | 158.5 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | trans | 73.4 | 128.9 | -172.6 | -51.3 | 173.3 | -69.4 | -172.5 | 1.6 | 112.6 | ||||
| 546 | Y | 29.8 | Very low | 32.2 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | cis | -116.3 | 159.7 | 20.8 | -73.1 | -100.9 | 0 | 0 | 0 | 115.2 | ||||
| 547 | L | 32.2 | Very low | 32.6 | Very low | 162 Ų | 162 | 155 Ų | 155 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -148.9 | 171.7 | 165.6 | -68 | 177.1 | 0 | 0 | 0 | 107 | ||||
| 548 | P | 36 | Very low | 32.8 | Very low | 99 Ų | 99 | 155 Ų | 155 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | -129.5 | 179.1 | -60.2 | 39.1 | -24.8 | 0 | 0 | 0 | 111.1 | |||||
| 549 | I | 28.2 | Very low | 33 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | trans | -119 | 133.9 | 152.1 | -64.9 | -178.3 | 0 | 0 | 0 | 107.7 | ||||
| 550 | Q | 28.7 | Very low | 33.1 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -88.4 | 125.8 | -172.8 | -67.4 | 174.2 | -22.5 | 0 | 0 | 111.5 | ||||
| 551 | A | 30.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -118.3 | 144.3 | 148 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 552 | H | 28.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 136 | -159.1 | -155.8 | -81.9 | 0 | 0 | 0 | 113.5 | ||||
| 553 | R | 33.4 | Very low | 33.5 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -74.9 | 122.7 | 170 | -91.5 | 174.6 | 150.1 | -109.1 | -10 | 110.9 | E556 | R553-E556 IonicContact CZ-OE2 2.67Å; R553-E556 IonicContact NH1-OE2 2.66Å; R553-E556 PolarHBondContact NH1-OE2 2.94Å; R553-E556 IonicContact NH2-OE2 3.79Å; R553-E556 PolarHBondContact NH2-OE2 3.16Å | ||
| 554 | S | 31.6 | Very low | 33.8 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 180 | 125.3 | 146.6 | -162.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 555 | I | 39.2 | Very low | 34.5 | Very low | 134 Ų | 134 | 150 Ų | 150 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | cis | -121.4 | 132.7 | 30.2 | -63.5 | 112.8 | 0 | 0 | 0 | 111.2 | ||||
| 556 | E | 42.6 | Very low | 35.1 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -127.7 | 97.8 | 163.9 | -176.4 | -179.8 | -174.1 | 0 | 0 | 108 | R553 | R553-E556 IonicContact CZ-OE2 2.67Å; R553-E556 IonicContact NH1-OE2 2.66Å; R553-E556 PolarHBondContact NH1-OE2 2.94Å; R553-E556 IonicContact NH2-OE2 3.79Å; R553-E556 PolarHBondContact NH2-OE2 3.16Å | ||
| 557 | S | 39 | Very low | 36.4 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | -139.4 | 117.9 | -178.9 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | L559 | S557-L559 PolarHBondContact O-N 2.88Š| ||
| 558 | Q | 35.8 | Very low | 38.2 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 70.5 | 13 | 166.8 | -54.8 | -164.6 | 61.2 | 0 | 0 | 120.2 | R560 | Q558-R560 PolarHBondContact O-N 3.44Š|
| 559 | L | 37.4 | Very low | 39.9 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -88.8 | 82.2 | 165.4 | -126.1 | 162.2 | 0 | 0 | 0 | 111.3 | S557 V561 | S557-L559 PolarHBondContact O-N 2.88Å; L559-V561 VanDerWaalsContact C-N 3.3Å; L559-V561 HydrophobicContact CD2-CG2 3.9Å; L559-V561 PolarHBondContact O-N 3.49Å | ||
| 560 | R | 35.4 | Very low | 42.2 | Very low | 237 Ų | 237 | 135.2 Ų | 135.2 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | trans | -73.1 | 83.6 | 170.3 | -80.6 | -173.7 | 177.4 | 149.6 | 0.8 | 110.3 | Q558 L562 | Q558-R560 PolarHBondContact O-N 3.44Å; R560-L562 PolarHBondContact O-N 3.32Å | ||
| 561 | V | 36.3 | Very low | 44.8 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -62.9 | 107.7 | 170 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | L559 | L559-V561 VanDerWaalsContact C-N 3.3Å; L559-V561 HydrophobicContact CD2-CG2 3.9Å; L559-V561 PolarHBondContact O-N 3.49Å | ||
| 562 | L | 31.7 | Very low | 47.4 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 80% | 0.801 | 67% | 0.669 | S | S | * | * | trans | -69.3 | 132 | 162.4 | -80.1 | 158.8 | 0 | 0 | 0 | 107.9 | R560 G564 | R560-L562 PolarHBondContact O-N 3.32Å; L562-G564 PolarHBondContact O-N 3.16Å | ||
| 563 | P | 36.3 | Very low | 50.1 | Low | 129 Ų | 129 | 120.1 Ų | 120.1 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | trans | -71.9 | 83.8 | 172 | 29.9 | -33.5 | 0 | 0 | 0 | 109.4 | ||||
| 564 | G | 38 | Very low | 52.6 | Low | 48 Ų | 48 | 116.6 Ų | 116.6 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | trans | -73.4 | -178.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L562 E566 | L562-G564 PolarHBondContact O-N 3.16Å; G564-E566 PolarHBondContact O-N 2.98Å | ||
| 565 | P | 42.1 | Very low | 55.1 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -58.2 | 140.2 | 168.9 | 27.7 | -34.5 | 0 | 0 | 0 | 109.8 | V567 | P565-V567 VanDerWaalsContact C-N 3.25Å; P565-V567 PolarHBondContact O-N 3.34Å |
| 566 | E | 45.7 | Very low | 57.3 | Low | 193 Ų | 193 | 109.8 Ų | 109.8 | 90% | 0.902 | 60% | 0.597 | S | S | * | * | trans | -72.8 | 76.7 | -176.1 | -64.3 | 175.9 | 138.2 | 0 | 0 | 110.9 | G564 T568 | G564-E566 PolarHBondContact O-N 2.98Å; E566-T568 PolarHBondContact O-N 3.39Å | ||
| 567 | V | 55.8 | Low | 59.4 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | trans | -66.5 | 113.3 | 155.8 | 179.7 | 0 | 0 | 0 | 0 | 105.8 | P565 | P565-V567 VanDerWaalsContact C-N 3.25Å; P565-V567 PolarHBondContact O-N 3.34Å | ||
| 568 | T | 69.4 | Low | 61.7 | Low | 74 Ų | 74 | 107.8 Ų | 107.8 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | trans | -67.8 | 141.2 | -171.2 | -24.9 | 0 | 0 | 0 | 0 | 109.2 | E566 S570 D571 | E566-T568 PolarHBondContact O-N 3.39Å; T568-S570 VanDerWaalsContact CB-OG 3.29Å; T568-S570 WeakPolarHBondContact CB-OG 3.02Å; T568-S570 VanDerWaalsContact CG2-OG 3.28Å; T568-S570 WeakPolarHBondContact CG2-OG 3.42Å; T568-S570 PolarHBondContact O-N 2.9Å; T568-D571 VanDerWaalsContact CB-OD1 3.29Å; T568-D571 WeakPolarHBondContact CB-OD1 3.3Å; T568-D571 WeakPolarHBondContact CB-OD2 3.37Å; T568-D571 PolarHBondContact N-OD2 3.05Å; T568-D571 WeakPolarHBondContact O-CB 3.44Å; T568-D571 PolarHBondContact O-N 2.83Å; T568-D571 PolarHBondContact OG1-OD1 2.86Å; T568-D571 PolarHBondContact OG1-OD2 3.35Å | ||
| 569 | Y | 73 | Confident | 64.2 | Low | 130 Ų | 130 | 105 Ų | 105 | 51% | 0.51 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -28.5 | 179.3 | -173.4 | -110.9 | 0 | 0 | 0 | 112.2 | L573 L593 L595 | Y569-L573 HydrophobicContact CD1-CD1 3.9Å; Y569-L573 HydrophobicContact CD1-CG 4.3Å; Y569-L573 HydrophobicContact CE1-CD1 3.69Å; Y569-L573 HydrophobicContact CE1-CG 4.21Å; Y569-L573 WeakPolarHBondContact O-CG 3.31Å; Y569-L573 PolarHBondContact O-N 2.92Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; Y569-L593 HydrophobicContact CE2-CD2 4.1Å; Y569-L595 WeakPolarHBondContact OH-CD2 3.16Å |
| 570 | S | 77.1 | Confident | 66.6 | Low | 51 Ų | 51 | 103.7 Ų | 103.7 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -55 | -50.3 | 167.5 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | T568 F572 L573 D574 | T568-S570 VanDerWaalsContact CB-OG 3.29Å; T568-S570 WeakPolarHBondContact CB-OG 3.02Å; T568-S570 VanDerWaalsContact CG2-OG 3.28Å; T568-S570 WeakPolarHBondContact CG2-OG 3.42Å; T568-S570 PolarHBondContact O-N 2.9Å; S570-F572 PolarHBondContact O-N 3.49Å; S570-F572 VanDerWaalsContact O-N 3.14Å; S570-L573 CarbonylContact O-C 3.58Å; S570-L573 WeakPolarHBondContact O-CA 3.42Å; S570-L573 PolarHBondContact O-N 3.45Å; S570-D574 WeakPolarHBondContact O-CB 3.37Å; S570-D574 VanDerWaalsContact O-CG 3.29Å; S570-D574 PolarHBondContact O-N 3.38Å |
| 571 | D | 83.2 | Confident | 69.1 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -32.1 | -170.6 | -42.6 | -16 | 0 | 0 | 0 | 110.9 | T568 A575 | T568-D571 VanDerWaalsContact CB-OD1 3.29Å; T568-D571 WeakPolarHBondContact CB-OD1 3.3Å; T568-D571 WeakPolarHBondContact CB-OD2 3.37Å; T568-D571 PolarHBondContact N-OD2 3.05Å; T568-D571 WeakPolarHBondContact O-CB 3.44Å; T568-D571 PolarHBondContact O-N 2.83Å; T568-D571 PolarHBondContact OG1-OD1 2.86Å; T568-D571 PolarHBondContact OG1-OD2 3.35Å; D571-A575 WeakPolarHBondContact O-CB 3.46Å; D571-A575 PolarHBondContact O-N 2.97Å |
| 572 | F | 84.2 | Confident | 71.8 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 22% | 0.224 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -75.2 | -41.9 | 170.8 | 176.9 | -102.3 | 0 | 0 | 0 | 113.3 | S570 D574 A575 I576 V586 F588 L593 | S570-F572 PolarHBondContact O-N 3.49Å; S570-F572 VanDerWaalsContact O-N 3.14Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 2.9Å; F572-A575 PolarHBondContact O-N 3.07Å; F572-I576 HydrophobicContact CE1-CD1 3.98Å; F572-I576 HydrophobicContact CE1-CG2 4.3Å; F572-I576 HydrophobicContact CE2-CG2 3.81Å; F572-I576 HydrophobicContact CZ-CD1 4.29Å; F572-I576 HydrophobicContact CZ-CG2 3.67Å; F572-I576 PolarHBondContact O-N 3Å; F572-V586 HydrophobicContact CE1-CG1 4.16Å; F572-V586 HydrophobicContact CE1-CG2 4.27Å; F572-V586 HydrophobicContact CZ-CG1 3.69Å; F572-V586 HydrophobicContact CZ-CG2 4.32Å; F572-F588 HydrophobicContact CE2-CZ 4.11Å; F572-F588 AromaticContact CZ-CZ 3.93Å; F572-F588 HydrophobicContact CZ-CZ 3.93Å; F572-L593 HydrophobicContact CE1-CD2 4.27Å |
| 573 | L | 85.1 | Confident | 74.6 | Confident | 26 Ų | 26 | 85.4 Ų | 85.4 | 14% | 0.136 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 177.8 | -69.3 | -173.4 | 0 | 0 | 0 | 112.5 | Y569 S570 I576 R578 L595 | Y569-L573 HydrophobicContact CD1-CD1 3.9Å; Y569-L573 HydrophobicContact CD1-CG 4.3Å; Y569-L573 HydrophobicContact CE1-CD1 3.69Å; Y569-L573 HydrophobicContact CE1-CG 4.21Å; Y569-L573 WeakPolarHBondContact O-CG 3.31Å; Y569-L573 PolarHBondContact O-N 2.92Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; S570-L573 CarbonylContact O-C 3.58Å; S570-L573 WeakPolarHBondContact O-CA 3.42Å; S570-L573 PolarHBondContact O-N 3.45Å; L573-I576 HydrophobicContact CD2-CD1 4.2Å; L573-I576 VanDerWaalsContact O-CG1 3.29Å; L573-I576 WeakPolarHBondContact O-CG1 3.29Å; L573-I576 PolarHBondContact O-N 2.98Å; L573-R578 HydrophobicContact CB-CB 4.29Å; L573-R578 VanDerWaalsContact O-CB 3.23Å; L573-R578 WeakPolarHBondContact O-CB 3.46Å; L573-R578 PolarHBondContact O-N 3.03Å; L573-R578 VanDerWaalsContact O-N 3.12Å; L573-L595 HydrophobicContact CD2-CD1 3.63Å; L573-L595 HydrophobicContact CD2-CD2 4.13Å |
| 574 | D | 85.2 | Confident | 77.3 | Confident | 117 Ų | 117 | 79.3 Ų | 79.3 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -70.4 | -40.1 | 175.1 | -63.5 | -19.1 | 0 | 0 | 0 | 110.2 | S570 F572 I576 D577 | S570-D574 WeakPolarHBondContact O-CB 3.37Å; S570-D574 VanDerWaalsContact O-CG 3.29Å; S570-D574 PolarHBondContact O-N 3.38Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 2.9Å; D574-I576 PolarHBondContact O-N 2.96Å; D574-D577 PolarHBondContact O-N 2.85Å |
| 575 | A | 85.1 | Confident | 79.9 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 67% | 0.669 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.9 | -12.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D571 F572 | D571-A575 WeakPolarHBondContact O-CB 3.46Å; D571-A575 PolarHBondContact O-N 2.97Å; F572-A575 PolarHBondContact O-N 3.07Å |
| 576 | I | 85.8 | Confident | 82.3 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 14.8 | 171.2 | 66.9 | 171.8 | 0 | 0 | 0 | 113.1 | F572 L573 D574 R578 Y584 V586 L595 | F572-I576 HydrophobicContact CE1-CD1 3.98Å; F572-I576 HydrophobicContact CE1-CG2 4.3Å; F572-I576 HydrophobicContact CE2-CG2 3.81Å; F572-I576 HydrophobicContact CZ-CD1 4.29Å; F572-I576 HydrophobicContact CZ-CG2 3.67Å; F572-I576 PolarHBondContact O-N 3Å; L573-I576 HydrophobicContact CD2-CD1 4.2Å; L573-I576 VanDerWaalsContact O-CG1 3.29Å; L573-I576 WeakPolarHBondContact O-CG1 3.29Å; L573-I576 PolarHBondContact O-N 2.98Å; D574-I576 PolarHBondContact O-N 2.96Å; I576-R578 HydrophobicContact CD1-CB 4.48Å; I576-R578 HydrophobicContact CG1-CB 4.16Å; I576-R578 PolarHBondContact O-N 3.27Å; I576-Y584 HydrophobicContact CD1-CD1 4.27Å; I576-V586 HydrophobicContact CD1-CG2 4.14Å; I576-L595 HydrophobicContact CD1-CD1 3.92Å |
| 577 | D | 86.6 | Confident | 84.4 | Confident | 134 Ų | 134 | 64 Ų | 64 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 46.5 | -176.9 | -79.6 | -50.5 | 0 | 0 | 0 | 112.1 | D574 R579 Y584 | D574-D577 PolarHBondContact O-N 2.85Å; D577-R579 PolarHBondContact O-N 2.93Å; D577-Y584 PolarHBondContact O-OH 3.22Å; D577-Y584 VanDerWaalsContact O-OH 3.09Å |
| 578 | R | 86.8 | Confident | 85.6 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | trans | -59.3 | 107.8 | -169.7 | -175 | -154.5 | 141.4 | 100 | 14.7 | 112 | L573 I576 Y584 P596 | L573-R578 HydrophobicContact CB-CB 4.29Å; L573-R578 VanDerWaalsContact O-CB 3.23Å; L573-R578 WeakPolarHBondContact O-CB 3.46Å; L573-R578 PolarHBondContact O-N 3.03Å; L573-R578 VanDerWaalsContact O-N 3.12Å; I576-R578 HydrophobicContact CD1-CB 4.48Å; I576-R578 HydrophobicContact CG1-CB 4.16Å; I576-R578 PolarHBondContact O-N 3.27Å; R578-Y584 HydrophobicContact CG-CD2 4.2Å; R578-Y584 HydrophobicContact CG-CE2 3.98Å; R578-P596 PolarHBondContact NH1-O 3.37Å; R578-P596 PolarHBondContact NH2-O 2.91Å | ||
| 579 | R | 88.7 | Confident | 86 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | trans | -74.9 | 152.2 | 172.9 | -62.8 | -175.4 | -177 | 165.9 | 5.7 | 112.6 | D577 Y584 | D577-R579 PolarHBondContact O-N 2.93Å; R579-Y584 HydrophobicContact CB-CE2 4.4Å; R579-Y584 PolarHBondContact N-OH 3.23Å | ||
| 580 | E | 86.8 | Confident | 86 | Confident | 120 Ų | 120 | 72.1 Ų | 72.1 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -75.6 | -33.1 | 179.6 | -58.2 | -160.7 | 153.1 | 0 | 0 | 113.4 | A597 I598 S599 | E580-A597 CarbonylContact O-C 3.58Å; E580-A597 WeakPolarHBondContact O-CA 3.44Å; E580-I598 HydrophobicContact CB-CD1 4.28Å; E580-I598 HydrophobicContact CB-CG1 3.82Å; E580-I598 HydrophobicContact CG-CD1 4.04Å; E580-I598 HydrophobicContact CG-CG1 4.15Å; E580-I598 PolarHBondContact O-N 2.86Å; E580-S599 WeakPolarHBondContact CB-OG 3.25Å; E580-S599 PolarHBondContact O-N 3.17Å; E580-S599 PolarHBondContact O-OG 3.04Å |
| 581 | D | 89 | Confident | 86.2 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -95.3 | 4.5 | -172.1 | 70 | -37.5 | 0 | 0 | 0 | 114.1 | S599 K607 | D581-S599 PolarHBondContact N-OG 2.86Å; D581-K607 WeakPolarHBondContact OD2-CD 3.41Å; D581-K607 WeakPolarHBondContact OD2-CE 3.19Å; D581-K607 IonicContact OD2-NZ 2.74Å; D581-K607 PolarHBondContact OD2-NZ 2.87Å |
| 582 | T | 91.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 3% | 0.025 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.1 | -178.2 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | Y584 K607 | T582-Y584 HydrophobicContact CG2-CD2 3.84Å; T582-Y584 HydrophobicContact CG2-CE2 3.58Å; T582-Y584 HydrophobicContact CG2-CG 4.46Å; T582-Y584 WeakPolarHBondContact O-CD2 3.36Å; T582-K607 WeakPolarHBondContact CA-O 3.38Å; T582-K607 HydrophobicContact CG2-CB 4.19Å; T582-K607 WeakPolarHBondContact OG1-CB 3.19Å |
| 583 | F | 91.6 | Very high | 86.6 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 31% | 0.311 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122 | 168.4 | -176.6 | -91.7 | 0 | 0 | 0 | 109.8 | V585 L594 K607 M608 S609 | F583-V585 HydrophobicContact CD1-CG2 4Å; F583-V585 HydrophobicContact CE1-CG2 3.6Å; F583-L594 HydrophobicContact CE1-CD2 4.28Å; F583-L594 HydrophobicContact CZ-CB 4.32Å; F583-L594 HydrophobicContact CZ-CD2 4.23Å; F583-K607 PolarHBondContact N-O 2.86Å; F583-M608 HydrophobicContact CD1-CG 4.11Å; F583-M608 HydrophobicContact CD1-SD 3.86Å; F583-M608 HydrophobicContact CE1-SD 4.39Å; F583-M608 CarbonylContact O-C 3.58Å; F583-M608 WeakPolarHBondContact O-CA 3.33Å; F583-S609 PolarHBondContact O-N 2.66Å |
| 584 | Y | 92.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 81 Ų | 81 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.4 | 179.5 | -68.2 | -112.4 | 0 | 0 | 0 | 111.6 | I576 D577 R578 R579 T582 L595 S609 V611 | I576-Y584 HydrophobicContact CD1-CD1 4.27Å; D577-Y584 PolarHBondContact O-OH 3.22Å; D577-Y584 VanDerWaalsContact O-OH 3.09Å; R578-Y584 HydrophobicContact CG-CD2 4.2Å; R578-Y584 HydrophobicContact CG-CE2 3.98Å; R579-Y584 HydrophobicContact CB-CE2 4.4Å; R579-Y584 PolarHBondContact N-OH 3.23Å; T582-Y584 HydrophobicContact CG2-CD2 3.84Å; T582-Y584 HydrophobicContact CG2-CE2 3.58Å; T582-Y584 HydrophobicContact CG2-CG 4.46Å; T582-Y584 WeakPolarHBondContact O-CD2 3.36Å; Y584-L595 PolarHBondContact N-O 2.59Å; Y584-L595 WeakPolarHBondContact O-CB 3.4Å; Y584-L595 PolarHBondContact O-N 3.37Å; Y584-S609 CarbonylContact C-O 3.59Å; Y584-S609 WeakPolarHBondContact CA-O 3.4Å; Y584-V611 HydrophobicContact CD1-CG2 4.05Å |
| 585 | V | 92.8 | Very high | 87.1 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 100.8 | 169.6 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | F583 L594 M608 S609 L610 V611 | F583-V585 HydrophobicContact CD1-CG2 4Å; F583-V585 HydrophobicContact CE1-CG2 3.6Å; V585-L594 HydrophobicContact CB-CD2 4.36Å; V585-L594 HydrophobicContact CG1-CD2 4.04Å; V585-L594 HydrophobicContact CG2-CD2 3.89Å; V585-M608 HydrophobicContact CG2-SD 4.36Å; V585-S609 PolarHBondContact N-O 3.34Å; V585-L610 HydrophobicContact CB-CD1 3.98Å; V585-L610 HydrophobicContact CG1-CD1 3.86Å; V585-V611 PolarHBondContact O-N 3.49Å |
| 586 | V | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109.4 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | F572 I576 F588 H592 L593 L595 V611 M631 | F572-V586 HydrophobicContact CE1-CG1 4.16Å; F572-V586 HydrophobicContact CE1-CG2 4.27Å; F572-V586 HydrophobicContact CZ-CG1 3.69Å; F572-V586 HydrophobicContact CZ-CG2 4.32Å; I576-V586 HydrophobicContact CD1-CG2 4.14Å; V586-F588 HydrophobicContact CB-CE2 4.49Å; V586-F588 HydrophobicContact CG1-CD2 4.16Å; V586-F588 HydrophobicContact CG1-CE1 4.42Å; V586-F588 HydrophobicContact CG1-CE2 3.5Å; V586-F588 VanDerWaalsContact CG1-CE2 3.5Å; V586-F588 HydrophobicContact CG1-CZ 3.66Å; V586-H592 CarbonylContact O-C 3.47Å; V586-H592 WeakPolarHBondContact O-CA 3.48Å; V586-L593 HydrophobicContact CB-CB 4.17Å; V586-L593 HydrophobicContact CB-CD2 4.49Å; V586-L593 PolarHBondContact N-O 3.32Å; V586-L593 PolarHBondContact O-N 2.95Å; V586-L595 HydrophobicContact CG2-CD1 3.88Å; V586-V611 CarbonylContact C-O 3.56Å; V586-V611 WeakPolarHBondContact CA-O 3.3Å; V586-V611 HydrophobicContact CG1-CB 4.48Å; V586-V611 HydrophobicContact CG2-CB 4.19Å; V586-V611 HydrophobicContact CG2-CG2 4.4Å; V586-M631 HydrophobicContact CG1-CE 4.2Å |
| 587 | S | 90.5 | Very high | 87.4 | Confident | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 92.9 | -174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | H592 V611 P613 | S587-H592 WeakPolarHBondContact CB-ND1 3.26Å; S587-H592 PolarHBondContact OG-ND1 2.91Å; S587-V611 PolarHBondContact N-O 3.05Å; S587-P613 WeakPolarHBondContact O-CD 3.29Å |
| 588 | F | 81.1 | Confident | 87.3 | Confident | 69 Ų | 69 | 76 Ų | 76 | 30% | 0.303 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 166.8 | 163.5 | -56.9 | -79.9 | 0 | 0 | 0 | 109.6 | F572 V586 R590 D591 M631 | F572-F588 HydrophobicContact CE2-CZ 4.11Å; F572-F588 AromaticContact CZ-CZ 3.93Å; F572-F588 HydrophobicContact CZ-CZ 3.93Å; V586-F588 HydrophobicContact CB-CE2 4.49Å; V586-F588 HydrophobicContact CG1-CD2 4.16Å; V586-F588 HydrophobicContact CG1-CE1 4.42Å; V586-F588 HydrophobicContact CG1-CE2 3.5Å; V586-F588 VanDerWaalsContact CG1-CE2 3.5Å; V586-F588 HydrophobicContact CG1-CZ 3.66Å; F588-R590 PolarHBondContact O-N 3.36Å; F588-D591 HydrophobicContact CB-CB 4.44Å; F588-D591 PolarHBondContact N-O 3.02Å; F588-D591 PolarHBondContact O-N 3.21Å; F588-M631 HydrophobicContact CD1-CE 4Å; F588-M631 HydrophobicContact CE1-CE 3.56Å; F588-M631 HydrophobicContact CZ-CE 4.17Å |
| 589 | R | 77.8 | Confident | 87.2 | Confident | 215 Ų | 215 | 75.4 Ų | 75.4 | 81% | 0.811 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -26.2 | -164.2 | -57 | 178.1 | -59.4 | 162.6 | 3.3 | 117.5 | ||
| 590 | R | 72.5 | Confident | 86.7 | Confident | 206 Ų | 206 | 76.4 Ų | 76.4 | 78% | 0.777 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | 2 | 168.8 | -63.8 | -167.5 | -177.2 | 88.2 | 4.6 | 113.7 | F588 | F588-R590 PolarHBondContact O-N 3.36Š|
| 591 | D | 81.6 | Confident | 86.3 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 114.1 | -160.9 | -50 | -62.6 | 0 | 0 | 0 | 108.4 | F588 | F588-D591 HydrophobicContact CB-CB 4.44Å; F588-D591 PolarHBondContact N-O 3.02Å; F588-D591 PolarHBondContact O-N 3.21Å |
| 592 | H | 86.4 | Confident | 85.8 | Confident | 130 Ų | 130 | 81.3 Ų | 81.3 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.5 | -174.6 | -56.4 | -81.6 | 0 | 0 | 0 | 110.5 | V586 S587 | V586-H592 CarbonylContact O-C 3.47Å; V586-H592 WeakPolarHBondContact O-CA 3.48Å; S587-H592 WeakPolarHBondContact CB-ND1 3.26Å; S587-H592 PolarHBondContact OG-ND1 2.91Å |
| 593 | L | 88.9 | Confident | 85.2 | Confident | 47 Ų | 47 | 87.4 Ų | 87.4 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.4 | 172 | 169.8 | 65.1 | 0 | 0 | 0 | 109.1 | Y569 F572 V586 L595 | Y569-L593 HydrophobicContact CE2-CD2 4.1Å; F572-L593 HydrophobicContact CE1-CD2 4.27Å; V586-L593 HydrophobicContact CB-CB 4.17Å; V586-L593 HydrophobicContact CB-CD2 4.49Å; V586-L593 PolarHBondContact N-O 3.32Å; V586-L593 PolarHBondContact O-N 2.95Å; L593-L595 HydrophobicContact CD1-CD2 4.07Å; L593-L595 HydrophobicContact CD2-CD2 4.15Å; L593-L595 HydrophobicContact CD2-CG 4.42Å; L593-L595 HydrophobicContact CG-CD2 3.96Å; L593-L595 HydrophobicContact CG-CG 4.11Å |
| 594 | L | 90.6 | Very high | 84.8 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.6 | 176 | -61.6 | 179.5 | 0 | 0 | 0 | 110.1 | F583 V585 | F583-L594 HydrophobicContact CE1-CD2 4.28Å; F583-L594 HydrophobicContact CZ-CB 4.32Å; F583-L594 HydrophobicContact CZ-CD2 4.23Å; V585-L594 HydrophobicContact CB-CD2 4.36Å; V585-L594 HydrophobicContact CG1-CD2 4.04Å; V585-L594 HydrophobicContact CG2-CD2 3.89Å |
| 595 | L | 89.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 92.7 Ų | 92.7 | 2% | 0.016 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 103 | -175 | -67.1 | -179.3 | 0 | 0 | 0 | 109.1 | Y569 L573 I576 Y584 V586 L593 | Y569-L595 WeakPolarHBondContact OH-CD2 3.16Å; L573-L595 HydrophobicContact CD2-CD1 3.63Å; L573-L595 HydrophobicContact CD2-CD2 4.13Å; I576-L595 HydrophobicContact CD1-CD1 3.92Å; Y584-L595 PolarHBondContact N-O 2.59Å; Y584-L595 WeakPolarHBondContact O-CB 3.4Å; Y584-L595 PolarHBondContact O-N 3.37Å; V586-L595 HydrophobicContact CG2-CD1 3.88Å; L593-L595 HydrophobicContact CD1-CD2 4.07Å; L593-L595 HydrophobicContact CD2-CD2 4.15Å; L593-L595 HydrophobicContact CD2-CG 4.42Å; L593-L595 HydrophobicContact CG-CD2 3.96Å; L593-L595 HydrophobicContact CG-CG 4.11Å |
| 596 | P | 89 | Confident | 84.2 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 53% | 0.526 | 47% | 0.47 | S | S | . | . | trans | -65.2 | 144 | 179.9 | 26.9 | -33.9 | 0 | 0 | 0 | 111.4 | R578 | R578-P596 PolarHBondContact NH1-O 3.37Å; R578-P596 PolarHBondContact NH2-O 2.91Å | ||
| 597 | A | 88.2 | Confident | 84.2 | Confident | 41 Ų | 41 | 97.8 Ų | 97.8 | 34% | 0.339 | 48% | 0.482 | S | S | . | . | trans | -60.2 | 135.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E580 | E580-A597 CarbonylContact O-C 3.58Å; E580-A597 WeakPolarHBondContact O-CA 3.44Å | ||
| 598 | I | 85.4 | Confident | 84.3 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -100.8 | -23.2 | -177.3 | 50.5 | -179.8 | 0 | 0 | 0 | 112.1 | E580 | E580-I598 HydrophobicContact CB-CD1 4.28Å; E580-I598 HydrophobicContact CB-CG1 3.82Å; E580-I598 HydrophobicContact CG-CD1 4.04Å; E580-I598 HydrophobicContact CG-CG1 4.15Å; E580-I598 PolarHBondContact O-N 2.86Å |
| 599 | S | 82.9 | Confident | 84.9 | Confident | 43 Ų | 43 | 97.2 Ų | 97.2 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | trans | -110.1 | 146.4 | 162.7 | 64 | 0 | 0 | 0 | 0 | 110.1 | E580 D581 | E580-S599 WeakPolarHBondContact CB-OG 3.25Å; E580-S599 PolarHBondContact O-N 3.17Å; E580-S599 PolarHBondContact O-OG 3.04Å; D581-S599 PolarHBondContact N-OG 2.86Å | ||
| 600 | H | 78.6 | Confident | 85.7 | Confident | 153 Ų | 153 | 90.2 Ų | 90.2 | 71% | 0.708 | 46% | 0.458 | S | S | * | . | trans | -130.1 | 108.6 | 174.8 | 65 | -86.1 | 0 | 0 | 0 | 108.9 | ||||
| 601 | N | 78.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | trans | -85 | 132.1 | 172.3 | -179.6 | 19.7 | 0 | 0 | 0 | 109.8 | T603 S604 | N601-T603 PolarHBondContact ND2-OG1 2.81Å; N601-T603 PolarHBondContact OD1-N 2.98Å; N601-T603 VanDerWaalsContact OD1-N 3.07Å; N601-T603 PolarHBondContact OD1-OG1 3.12Å; N601-T603 VanDerWaalsContact OD1-OG1 3.06Å; N601-S604 WeakPolarHBondContact CB-OG 3.29Å; N601-S604 PolarHBondContact ND2-N 2.8Å; N601-S604 PolarHBondContact ND2-OG 3.2Å | ||
| 602 | K | 78 | Confident | 87.1 | Confident | 184 Ų | 184 | 78.5 Ų | 78.5 | 80% | 0.8 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -85.2 | -10.9 | 179.3 | -63.2 | -179.9 | -178.7 | 176.7 | 0 | 113.6 | ||
| 603 | T | 79.3 | Confident | 87.2 | Confident | 131 Ų | 131 | 74.4 Ų | 74.4 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -100.6 | -19.7 | -178.3 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | N601 | N601-T603 PolarHBondContact ND2-OG1 2.81Å; N601-T603 PolarHBondContact OD1-N 2.98Å; N601-T603 VanDerWaalsContact OD1-N 3.07Å; N601-T603 PolarHBondContact OD1-OG1 3.12Å; N601-T603 VanDerWaalsContact OD1-OG1 3.06Å |
| 604 | S | 83.1 | Confident | 87 | Confident | 48 Ų | 48 | 74 Ų | 74 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -100.5 | 158 | 172.1 | 58 | 0 | 0 | 0 | 0 | 111.1 | N601 | N601-S604 WeakPolarHBondContact CB-OG 3.29Å; N601-S604 PolarHBondContact ND2-N 2.8Å; N601-S604 PolarHBondContact ND2-OG 3.2Å |
| 605 | R | 85.1 | Confident | 86.3 | Confident | 135 Ų | 135 | 77.3 Ų | 77.3 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 146.4 | 169.5 | -62.4 | -177.3 | -176.5 | -80.5 | -1.7 | 109.8 | E637 | R605-E637 WeakPolarHBondContact CD-OE2 3.1Š|
| 606 | P | 89.1 | Confident | 85 | Confident | 73 Ų | 73 | 80.4 Ų | 80.4 | 47% | 0.474 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 144.1 | 171.9 | -17.7 | 30.5 | 0 | 0 | 0 | 110 | V638 | P606-V638 HydrophobicContact CB-CB 4.21Å; P606-V638 HydrophobicContact CB-CG2 4.35Å; P606-V638 WeakPolarHBondContact O-CG2 3.3Å; P606-V638 PolarHBondContact O-N 2.98Å |
| 607 | K | 91.3 | Very high | 83.6 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 27% | 0.265 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 145.7 | 177.3 | -64.7 | 170.3 | -170.3 | 161.8 | 0 | 110.2 | D581 T582 F583 | D581-K607 WeakPolarHBondContact OD2-CD 3.41Å; D581-K607 WeakPolarHBondContact OD2-CE 3.19Å; D581-K607 IonicContact OD2-NZ 2.74Å; D581-K607 PolarHBondContact OD2-NZ 2.87Å; T582-K607 WeakPolarHBondContact CA-O 3.38Å; T582-K607 HydrophobicContact CG2-CB 4.19Å; T582-K607 WeakPolarHBondContact OG1-CB 3.19Å; F583-K607 PolarHBondContact N-O 2.86Å |
| 608 | M | 91.9 | Very high | 82.2 | Confident | 73 Ų | 73 | 86 Ų | 86 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.7 | 174.1 | 176.4 | 159.8 | 53.2 | 0 | 0 | 109.7 | F583 V585 C636 V638 | F583-M608 HydrophobicContact CD1-CG 4.11Å; F583-M608 HydrophobicContact CD1-SD 3.86Å; F583-M608 HydrophobicContact CE1-SD 4.39Å; F583-M608 CarbonylContact O-C 3.58Å; F583-M608 WeakPolarHBondContact O-CA 3.33Å; V585-M608 HydrophobicContact CG2-SD 4.36Å; M608-C636 PolarHBondContact N-O 3.36Å; M608-C636 WeakPolarHBondContact O-CA 3.15Å; M608-C636 PolarHBondContact O-N 3Å; M608-C636 VanDerWaalsContact O-O 3.11Å; M608-V638 HydrophobicContact CB-CG2 3.75Å; M608-V638 HydrophobicContact CE-CG2 4.11Å |
| 609 | S | 94.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.2 | 177.3 | -171 | 0 | 0 | 0 | 0 | 110.5 | F583 Y584 V585 Q633 V634 D635 | F583-S609 PolarHBondContact O-N 2.66Å; Y584-S609 CarbonylContact C-O 3.59Å; Y584-S609 WeakPolarHBondContact CA-O 3.4Å; V585-S609 PolarHBondContact N-O 3.34Å; S609-Q633 VanDerWaalsContact OG-CG 3.25Å; S609-Q633 WeakPolarHBondContact OG-CG 3.44Å; S609-Q633 PolarHBondContact OG-NE2 3.49Å; S609-V634 WeakPolarHBondContact CA-O 3.34Å; S609-D635 VanDerWaalsContact CB-OD1 3.24Å; S609-D635 WeakPolarHBondContact CB-OD1 3.35Å; S609-D635 PolarHBondContact OG-OD1 3.24Å |
| 610 | L | 93.7 | Very high | 80.1 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 36% | 0.356 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.4 | 175.4 | 176.2 | 64.6 | 0 | 0 | 0 | 108.7 | V585 M612 Q633 V634 | V585-L610 HydrophobicContact CB-CD1 3.98Å; V585-L610 HydrophobicContact CG1-CD1 3.86Å; L610-M612 HydrophobicContact CD2-SD 4.1Å; L610-M612 HydrophobicContact CG-SD 4.33Å; L610-Q633 CarbonylContact O-C 3.55Å; L610-Q633 WeakPolarHBondContact O-CA 3.39Å; L610-V634 HydrophobicContact CB-CB 4.45Å; L610-V634 PolarHBondContact N-O 2.83Å; L610-V634 PolarHBondContact O-N 3.21Å |
| 611 | V | 92.4 | Very high | 79.1 | Confident | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.006 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.2 | 177.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | Y584 V585 V586 S587 M631 M632 Q633 | Y584-V611 HydrophobicContact CD1-CG2 4.05Å; V585-V611 PolarHBondContact O-N 3.49Å; V586-V611 CarbonylContact C-O 3.56Å; V586-V611 WeakPolarHBondContact CA-O 3.3Å; V586-V611 HydrophobicContact CG1-CB 4.48Å; V586-V611 HydrophobicContact CG2-CB 4.19Å; V586-V611 HydrophobicContact CG2-CG2 4.4Å; S587-V611 PolarHBondContact N-O 3.05Å; V611-M631 HydrophobicContact CG1-CB 3.93Å; V611-M631 HydrophobicContact CG1-CE 4.19Å; V611-M631 HydrophobicContact CG1-CG 4.26Å; V611-M631 HydrophobicContact CG1-SD 4.46Å; V611-M632 CarbonylContact C-O 3.54Å; V611-M632 WeakPolarHBondContact CA-O 3.44Å; V611-Q633 HydrophobicContact CG2-CB 4.41Å; V611-Q633 HydrophobicContact CG2-CG 4.14Å |
| 612 | M | 92 | Very high | 78.1 | Confident | 69 Ų | 69 | 89.2 Ų | 89.2 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 152.7 | -178.3 | 60.4 | -169.7 | -65.7 | 0 | 0 | 111.3 | L610 A614 M631 M632 | L610-M612 HydrophobicContact CD2-SD 4.1Å; L610-M612 HydrophobicContact CG-SD 4.33Å; M612-A614 PolarHBondContact O-N 3.27Å; M612-M631 VanDerWaalsContact C-SD 3.53Å; M612-M632 HydrophobicContact CG-CE 3.73Å; M612-M632 PolarHBondContact N-O 3.46Å; M612-M632 PolarHBondContact O-N 3.12Å; M612-M632 HydrophobicContact SD-CE 3.62Å |
| 613 | P | 88.6 | Confident | 77.1 | Confident | 44 Ų | 44 | 85.4 Ų | 85.4 | 29% | 0.286 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 127 | 179.1 | -30.3 | 35.8 | 0 | 0 | 0 | 113 | S587 M631 | S587-P613 WeakPolarHBondContact O-CD 3.29Å; P613-M631 HydrophobicContact CB-SD 4.35Å; P613-M631 HydrophobicContact CG-SD 3.91Å; P613-M631 VanDerWaalsContact N-SD 3.41Å |
| 614 | A | 85.6 | Confident | 76 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -75 | 127.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | M612 S616 M630 M632 | M612-A614 PolarHBondContact O-N 3.27Å; A614-S616 PolarHBondContact O-N 3.24Å; A614-M630 HydrophobicContact CB-CB 4.19Å; A614-M630 PolarHBondContact N-O 2.84Å; A614-M632 HydrophobicContact CB-CB 4.03Å |
| 615 | M | 74 | Confident | 74.7 | Confident | 174 Ų | 174 | 83.3 Ų | 83.3 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 128 | 172.6 | 60.8 | -176.9 | 179.1 | 0 | 0 | 110.7 | V617 | M615-V617 PolarHBondContact O-N 3.41Š|
| 616 | S | 63.8 | Low | 73.2 | Confident | 68 Ų | 68 | 85.7 Ų | 85.7 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | trans | -73.7 | 108.1 | -177 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | A614 N618 | A614-S616 PolarHBondContact O-N 3.24Å; S616-N618 PolarHBondContact O-N 3.15Å | ||
| 617 | V | 59.5 | Low | 72.2 | Confident | 131 Ų | 131 | 86 Ų | 86 | 79% | 0.794 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -72.3 | -19.6 | 176.1 | -158.1 | 0 | 0 | 0 | 0 | 112.2 | M615 | M615-V617 PolarHBondContact O-N 3.41Š|
| 618 | N | 59.6 | Low | 71.4 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | trans | -144.5 | 127.4 | 175.5 | -82.7 | -57.7 | 0 | 0 | 0 | 111.6 | S616 S620 | S616-N618 PolarHBondContact O-N 3.15Å; N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 3.22Å | ||
| 619 | E | 62.4 | Low | 70.8 | Confident | 135 Ų | 135 | 93.7 Ų | 93.7 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -26.1 | 178.6 | -69.2 | -67.3 | 144.5 | 0 | 0 | 114.3 | N623 | E619-N623 PolarHBondContact O-ND2 3.3Å |
| 620 | S | 61.7 | Low | 70.3 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -37.4 | -172.4 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | N618 | N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 3.22Å |
| 621 | L | 57.9 | Low | 69.9 | Low | 127 Ų | 127 | 98 Ų | 98 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.2 | -30.5 | 179.9 | -89.8 | 158.2 | 0 | 0 | 0 | 113 | S624 S625 | L621-S624 PolarHBondContact O-N 2.99Å; L621-S625 PolarHBondContact O-OG 3.45Å |
| 622 | Y | 57.7 | Low | 69.8 | Low | 117 Ų | 117 | 102 Ų | 102 | 46% | 0.459 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.1 | -33.3 | -178.8 | -160.5 | -97.6 | 0 | 0 | 0 | 112.3 | S624 S625 | Y622-S624 VanDerWaalsContact C-N 3.25Å; Y622-S624 PolarHBondContact O-N 3.16Å; Y622-S625 WeakPolarHBondContact CA-OG 3.35Å; Y622-S625 PolarHBondContact O-N 2.97Å; Y622-S625 PolarHBondContact O-OG 2.92Å; Y622-S625 VanDerWaalsContact O-OG 3.1Å |
| 623 | N | 56.3 | Low | 69.9 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -20 | 178.9 | -78.7 | -81.2 | 0 | 0 | 0 | 113.8 | E619 | E619-N623 PolarHBondContact O-ND2 3.3Š|
| 624 | S | 55.9 | Low | 70.1 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -21.7 | 172.9 | -58 | 0 | 0 | 0 | 0 | 113.3 | L621 Y622 K626 | L621-S624 PolarHBondContact O-N 2.99Å; Y622-S624 VanDerWaalsContact C-N 3.25Å; Y622-S624 PolarHBondContact O-N 3.16Å; S624-K626 PolarHBondContact O-N 3.44Å |
| 625 | S | 55.5 | Low | 70.5 | Confident | 29 Ų | 29 | 105.3 Ų | 105.3 | 20% | 0.203 | 56% | 0.562 | C | S | . | * | trans | -99.8 | 40.7 | -171.3 | 31.1 | 0 | 0 | 0 | 0 | 112.9 | L621 Y622 G627 Y628 | L621-S625 PolarHBondContact O-OG 3.45Å; Y622-S625 WeakPolarHBondContact CA-OG 3.35Å; Y622-S625 PolarHBondContact O-N 2.97Å; Y622-S625 PolarHBondContact O-OG 2.92Å; Y622-S625 VanDerWaalsContact O-OG 3.1Å; S625-G627 PolarHBondContact O-N 2.83Å; S625-Y628 PolarHBondContact O-N 3.23Å | ||
| 626 | K | 54.5 | Low | 71.3 | Confident | 186 Ų | 186 | 100.1 Ų | 100.1 | 81% | 0.809 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 98.1 | 177.1 | -71.4 | -179.1 | -179.3 | 174.8 | 0 | 111.7 | S624 | S624-K626 PolarHBondContact O-N 3.44Š|
| 627 | G | 67.9 | Low | 72.6 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 81% | 0.814 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123 | -6.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | S625 | S625-G627 PolarHBondContact O-N 2.83Š|
| 628 | Y | 74.4 | Confident | 74.1 | Confident | 180 Ų | 180 | 98.3 Ų | 98.3 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | trans | -116.4 | 131.4 | 179 | -62.5 | -88.9 | 0 | 0 | 0 | 110.8 | S625 | S625-Y628 PolarHBondContact O-N 3.23Š| ||
| 629 | E | 78.7 | Confident | 75.4 | Confident | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | trans | -95 | 120.1 | 170.1 | -174 | 166.4 | 179.8 | 0 | 0 | 108.7 | M631 | E629-M631 PolarHBondContact O-N 2.84Š| ||
| 630 | M | 83.6 | Confident | 76.4 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 51% | 0.507 | 52% | 0.522 | S | S | . | . | trans | -73.9 | 117.8 | -177.7 | -64 | -58.9 | -61.6 | 0 | 0 | 110.1 | A614 | A614-M630 HydrophobicContact CB-CB 4.19Å; A614-M630 PolarHBondContact N-O 2.84Å | ||
| 631 | M | 86.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 28% | 0.276 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.6 | 176.1 | -67.1 | -67 | -126.3 | 0 | 0 | 111.1 | V586 F588 V611 M612 P613 E629 | V586-M631 HydrophobicContact CG1-CE 4.2Å; F588-M631 HydrophobicContact CD1-CE 4Å; F588-M631 HydrophobicContact CE1-CE 3.56Å; F588-M631 HydrophobicContact CZ-CE 4.17Å; V611-M631 HydrophobicContact CG1-CB 3.93Å; V611-M631 HydrophobicContact CG1-CE 4.19Å; V611-M631 HydrophobicContact CG1-CG 4.26Å; V611-M631 HydrophobicContact CG1-SD 4.46Å; M612-M631 VanDerWaalsContact C-SD 3.53Å; P613-M631 HydrophobicContact CB-SD 4.35Å; P613-M631 HydrophobicContact CG-SD 3.91Å; P613-M631 VanDerWaalsContact N-SD 3.41Å; E629-M631 PolarHBondContact O-N 2.84Å |
| 632 | M | 90.1 | Very high | 79 | Confident | 85 Ų | 85 | 102.7 Ų | 102.7 | 42% | 0.419 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.8 | 166.4 | -179.9 | 176.5 | 70.2 | 0 | 0 | 108.3 | V611 M612 A614 V634 | V611-M632 CarbonylContact C-O 3.54Å; V611-M632 WeakPolarHBondContact CA-O 3.44Å; M612-M632 HydrophobicContact CG-CE 3.73Å; M612-M632 PolarHBondContact N-O 3.46Å; M612-M632 PolarHBondContact O-N 3.12Å; M612-M632 HydrophobicContact SD-CE 3.62Å; A614-M632 HydrophobicContact CB-CB 4.03Å; M632-V634 HydrophobicContact CE-CG2 4.4Å; M632-V634 HydrophobicContact CG-CG2 4.26Å |
| 633 | Q | 92.8 | Very high | 80.5 | Confident | 80 Ų | 80 | 105.2 Ų | 105.2 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.6 | 173.6 | 179.5 | 172.1 | -26.2 | 0 | 0 | 109.8 | S609 L610 V611 D635 | S609-Q633 VanDerWaalsContact OG-CG 3.25Å; S609-Q633 WeakPolarHBondContact OG-CG 3.44Å; S609-Q633 PolarHBondContact OG-NE2 3.49Å; L610-Q633 CarbonylContact O-C 3.55Å; L610-Q633 WeakPolarHBondContact O-CA 3.39Å; V611-Q633 HydrophobicContact CG2-CB 4.41Å; V611-Q633 HydrophobicContact CG2-CG 4.14Å; Q633-D635 PolarHBondContact NE2-OD1 3.18Å |
| 634 | V | 93.3 | Very high | 82.2 | Confident | 58 Ų | 58 | 104.6 Ų | 104.6 | 35% | 0.352 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 103.6 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | S609 L610 M632 | S609-V634 WeakPolarHBondContact CA-O 3.34Å; L610-V634 HydrophobicContact CB-CB 4.45Å; L610-V634 PolarHBondContact N-O 2.83Å; L610-V634 PolarHBondContact O-N 3.21Å; M632-V634 HydrophobicContact CE-CG2 4.4Å; M632-V634 HydrophobicContact CG-CG2 4.26Å |
| 635 | D | 93.6 | Very high | 83.8 | Confident | 84 Ų | 84 | 105.5 Ų | 105.5 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.4 | 177.1 | -72.5 | -5.5 | 0 | 0 | 0 | 110.7 | S609 Q633 | S609-D635 VanDerWaalsContact CB-OD1 3.24Å; S609-D635 WeakPolarHBondContact CB-OD1 3.35Å; S609-D635 PolarHBondContact OG-OD1 3.24Å; Q633-D635 PolarHBondContact NE2-OD1 3.18Å |
| 636 | C | 91.2 | Very high | 85.5 | Confident | 64 Ų | 64 | 109.6 Ų | 109.6 | 43% | 0.432 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.5 | -175.3 | -67 | 0 | 0 | 0 | 0 | 111.5 | M608 | M608-C636 PolarHBondContact N-O 3.36Å; M608-C636 WeakPolarHBondContact O-CA 3.15Å; M608-C636 PolarHBondContact O-N 3Å; M608-C636 VanDerWaalsContact O-O 3.11Å |
| 637 | E | 91.7 | Very high | 87.3 | Confident | 126 Ų | 126 | 108.8 Ų | 108.8 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.9 | 161.5 | -64.6 | -161.7 | 167.5 | 0 | 0 | 109.8 | R605 | R605-E637 WeakPolarHBondContact CD-OE2 3.1Å |
| 638 | V | 89.9 | Confident | 88.2 | Confident | 36 Ų | 36 | 109.5 Ų | 109.5 | 22% | 0.218 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -86.2 | 117.5 | -178.4 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | P606 M608 T641 | P606-V638 HydrophobicContact CB-CB 4.21Å; P606-V638 HydrophobicContact CB-CG2 4.35Å; P606-V638 WeakPolarHBondContact O-CG2 3.3Å; P606-V638 PolarHBondContact O-N 2.98Å; M608-V638 HydrophobicContact CB-CG2 3.75Å; M608-V638 HydrophobicContact CE-CG2 4.11Å; V638-T641 HydrophobicContact CB-CG2 4.39Å; V638-T641 HydrophobicContact CG1-CG2 3.52Å |
| 639 | M | 86.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 105.3 Ų | 105.3 | 61% | 0.611 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 153.1 | 172.8 | -63.1 | -177.6 | 63.4 | 0 | 0 | 110.9 | T641 | M639-T641 VanDerWaalsContact C-N 3.34Å; M639-T641 PolarHBondContact O-N 2.65Å; M639-T641 VanDerWaalsContact O-N 3.17Å |
| 640 | D | 84.1 | Confident | 89.4 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 65% | 0.647 | 56% | 0.559 | S | S | * | * | trans | 49.6 | 43.8 | 166.5 | -51.2 | -24.2 | 0 | 0 | 0 | 116.4 | R642 | D640-R642 PolarHBondContact O-N 2.8Å; D640-R642 VanDerWaalsContact O-N 3.11Å | ||
| 641 | T | 86.1 | Confident | 89.6 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | trans | -57 | 110.6 | 172.8 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | V638 M639 | V638-T641 HydrophobicContact CB-CG2 4.39Å; V638-T641 HydrophobicContact CG1-CG2 3.52Å; M639-T641 VanDerWaalsContact C-N 3.34Å; M639-T641 PolarHBondContact O-N 2.65Å; M639-T641 VanDerWaalsContact O-N 3.17Å | ||
| 642 | R | 87.8 | Confident | 89.6 | Confident | 199 Ų | 199 | 100.8 Ų | 100.8 | 75% | 0.751 | 55% | 0.553 | S | S | * | * | trans | -131.6 | 143.8 | 177.4 | 63.2 | -178.9 | 179.9 | -84.8 | 6.6 | 111.5 | D640 V644 | D640-R642 PolarHBondContact O-N 2.8Å; D640-R642 VanDerWaalsContact O-N 3.11Å; R642-V644 HydrophobicContact CG-CG2 4.11Å | ||
| 643 | I | 88.9 | Confident | 89 | Confident | 171 Ų | 171 | 101.9 Ų | 101.9 | 88% | 0.877 | 57% | 0.566 | S | S | * | * | trans | -79.4 | 120 | 172.5 | -59.6 | 174.6 | 0 | 0 | 0 | 107.8 | ||||
| 644 | V | 91.7 | Very high | 88.2 | Confident | 92 Ų | 92 | 103 Ų | 103 | 56% | 0.558 | 58% | 0.583 | S | S | * | * | trans | -104.4 | 114.4 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | R642 I646 | R642-V644 HydrophobicContact CG-CG2 4.11Å; V644-I646 HydrophobicContact CG1-CG1 4.27Å; V644-I646 PolarHBondContact O-N 2.68Å; V644-I646 VanDerWaalsContact O-N 3.14Å | ||
| 645 | P | 90.8 | Very high | 87.3 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 80% | 0.799 | 60% | 0.599 | S | S | * | * | trans | -76.5 | 101.2 | 178.3 | 29.8 | -33.2 | 0 | 0 | 0 | 110.9 | ||||
| 646 | I | 90.8 | Very high | 86.7 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | trans | -89.1 | 128.5 | 176 | -57.5 | 176.8 | 0 | 0 | 0 | 109.3 | V644 S648 A650 V651 | V644-I646 HydrophobicContact CG1-CG1 4.27Å; V644-I646 PolarHBondContact O-N 2.68Å; V644-I646 VanDerWaalsContact O-N 3.14Å; I646-S648 PolarHBondContact O-N 2.96Å; I646-A650 HydrophobicContact CG2-CB 4.37Å; I646-V651 HydrophobicContact CG2-CG2 3.95Å | ||
| 647 | K | 91.9 | Very high | 85.8 | Confident | 169 Ų | 169 | 110.9 Ų | 110.9 | 74% | 0.735 | 61% | 0.61 | S | S | * | * | trans | -61.3 | 128.6 | 173.2 | -66.6 | 179.6 | -179.4 | 175.5 | 0 | 109.4 | S649 A650 | K647-S649 PolarHBondContact O-N 2.99Å; K647-A650 WeakPolarHBondContact O-CB 3.41Å; K647-A650 PolarHBondContact O-N 2.8Å | ||
| 648 | S | 87.9 | Confident | 84.6 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -26.4 | -179 | -43.1 | 0 | 0 | 0 | 0 | 113.5 | I646 A650 V651 R656 | I646-S648 PolarHBondContact O-N 2.96Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 3.37Å; S648-V651 PolarHBondContact O-N 2.81Å; S648-R656 PolarHBondContact O-NE 2.99Å; S648-R656 VanDerWaalsContact O-NE 3.1Å; S648-R656 PolarHBondContact O-NH2 3.47Å; S648-R656 VanDerWaalsContact O-NH2 3.17Å |
| 649 | S | 88.2 | Confident | 83.5 | Confident | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -28.1 | 173.7 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | K647 R656 | K647-S649 PolarHBondContact O-N 2.99Å; S649-R656 PolarHBondContact O-NH2 3.41Å |
| 650 | A | 89.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 114.4 Ų | 114.4 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -17.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I646 K647 S648 | I646-A650 HydrophobicContact CG2-CB 4.37Å; K647-A650 WeakPolarHBondContact O-CB 3.41Å; K647-A650 PolarHBondContact O-N 2.8Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 3.37Å |
| 651 | V | 88.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 114.2 Ų | 114.2 | 25% | 0.248 | 66% | 0.657 | C | S | . | * | S | Bend | trans | -71.1 | 128.1 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | I646 S648 L655 R656 | I646-V651 HydrophobicContact CG2-CG2 3.95Å; S648-V651 PolarHBondContact O-N 2.81Å; V651-L655 HydrophobicContact CG1-CB 3.92Å; V651-R656 HydrophobicContact CB-CG 4.37Å; V651-R656 HydrophobicContact CG1-CG 4.1Å; V651-R656 VanDerWaalsContact O-CZ 3.24Å; V651-R656 PolarHBondContact O-NE 2.58Å; V651-R656 PolarHBondContact O-NH2 3.04Å |
| 652 | P | 87.2 | Confident | 80.6 | Confident | 65 Ų | 65 | 114.6 Ų | 114.6 | 42% | 0.422 | 66% | 0.661 | S | S | . | * | trans | -53.3 | 141.1 | 176.9 | -28.8 | 35.8 | 0 | 0 | 0 | 112.5 | S654 L655 | P652-S654 PolarHBondContact O-N 3.24Å; P652-S654 VanDerWaalsContact O-N 3.1Å; P652-L655 HydrophobicContact CB-CD1 4.43Å; P652-L655 HydrophobicContact CB-CG 4.43Å; P652-L655 HydrophobicContact CG-CD1 4.19Å; P652-L655 PolarHBondContact O-N 3.03Å | ||
| 653 | P | 77.4 | Confident | 79.1 | Confident | 107 Ų | 107 | 111.1 Ų | 111.1 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -57.1 | -27.8 | -178.6 | -27.5 | 35.8 | 0 | 0 | 0 | 114.7 | L655 R656 | P653-L655 PolarHBondContact O-N 3.21Å; P653-R656 PolarHBondContact O-N 3.07Å |
| 654 | S | 74.8 | Confident | 77 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -70.6 | -12.9 | 174.3 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | P652 | P652-S654 PolarHBondContact O-N 3.24Å; P652-S654 VanDerWaalsContact O-N 3.1Å |
| 655 | L | 74.8 | Confident | 74.6 | Confident | 130 Ų | 130 | 108 Ų | 108 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -115.4 | 12.3 | -179.8 | -59.6 | 179.7 | 0 | 0 | 0 | 112.4 | V651 P652 P653 | V651-L655 HydrophobicContact CG1-CB 3.92Å; P652-L655 HydrophobicContact CB-CD1 4.43Å; P652-L655 HydrophobicContact CB-CG 4.43Å; P652-L655 HydrophobicContact CG-CD1 4.19Å; P652-L655 PolarHBondContact O-N 3.03Å; P653-L655 PolarHBondContact O-N 3.21Å |
| 656 | R | 80.5 | Confident | 72.7 | Confident | 113 Ų | 113 | 111.5 Ų | 111.5 | 43% | 0.426 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -97.3 | 141.2 | 170.4 | -59 | 179.7 | -165.2 | 175.9 | 5.1 | 108.7 | S648 S649 V651 P653 | S648-R656 PolarHBondContact O-NE 2.99Å; S648-R656 VanDerWaalsContact O-NE 3.1Å; S648-R656 PolarHBondContact O-NH2 3.47Å; S648-R656 VanDerWaalsContact O-NH2 3.17Å; S649-R656 PolarHBondContact O-NH2 3.41Å; V651-R656 HydrophobicContact CB-CG 4.37Å; V651-R656 HydrophobicContact CG1-CG 4.1Å; V651-R656 VanDerWaalsContact O-CZ 3.24Å; V651-R656 PolarHBondContact O-NE 2.58Å; V651-R656 PolarHBondContact O-NH2 3.04Å; P653-R656 PolarHBondContact O-N 3.07Å |
| 657 | D | 73.3 | Confident | 70.4 | Confident | 127 Ų | 127 | 114.3 Ų | 114.3 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 140.6 | 166.1 | -78.9 | -52.9 | 0 | 0 | 0 | 110 | T659 | D657-T659 PolarHBondContact O-N 2.88Å; D657-T659 VanDerWaalsContact O-N 3.13Å |
| 658 | P | 67 | Low | 67.6 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.5 | 174.1 | 26.6 | -33 | 0 | 0 | 0 | 108.7 | ||
| 659 | T | 65 | Low | 65.2 | Low | 127 Ų | 127 | 110.1 Ų | 110.1 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 132.5 | 176.7 | 39.1 | 0 | 0 | 0 | 0 | 110.2 | D657 | D657-T659 PolarHBondContact O-N 2.88Å; D657-T659 VanDerWaalsContact O-N 3.13Å |
| 660 | P | 68 | Low | 62.8 | Low | 113 Ų | 113 | 113.3 Ų | 113.3 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 144.3 | 176 | 25.4 | -34 | 0 | 0 | 0 | 109.7 | ||
| 661 | P | 63.4 | Low | 60.2 | Low | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.3 | -178.5 | 25.6 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 662 | P | 66.2 | Low | 57.6 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.9 | 178.7 | 26.4 | -34.5 | 0 | 0 | 0 | 110.4 | A664 | P662-A664 PolarHBondContact O-N 3.35Š|
| 663 | P | 55.8 | Low | 55.1 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.4 | 175.1 | 26.3 | -34 | 0 | 0 | 0 | 109.4 | S665 | P663-S665 PolarHBondContact O-N 3.31Å; P663-S665 VanDerWaalsContact O-N 3.14Å |
| 664 | A | 44.1 | Very low | 52.9 | Low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | P662 Q666 | P662-A664 PolarHBondContact O-N 3.35Å; A664-Q666 PolarHBondContact O-N 2.93Å |
| 665 | S | 43 | Very low | 50.9 | Low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.4 | 173.5 | 39.3 | 0 | 0 | 0 | 0 | 109.6 | P663 H667 | P663-S665 PolarHBondContact O-N 3.31Å; P663-S665 VanDerWaalsContact O-N 3.14Å; S665-H667 PolarHBondContact O-N 3.31Å; S665-H667 VanDerWaalsContact O-N 3.12Å |
| 666 | Q | 49 | Very low | 49.1 | Very low | 196 Ų | 196 | 128.4 Ų | 128.4 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -68 | 110.1 | -179.8 | -65.8 | 178.8 | 1 | 0 | 0 | 110.1 | A664 | A664-Q666 PolarHBondContact O-N 2.93Š| ||
| 667 | H | 42.8 | Very low | 46.8 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -113.1 | 121.2 | 166.8 | -92 | -75 | 0 | 0 | 0 | 111 | S665 | S665-H667 PolarHBondContact O-N 3.31Å; S665-H667 VanDerWaalsContact O-N 3.12Å | ||
| 668 | G | 34.6 | Very low | 45 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 53.7 | 88.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 669 | A | 37.2 | Very low | 43.6 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -73.6 | 124.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 670 | H | 36.6 | Very low | 42 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -127.9 | 126.2 | 158.8 | -87.8 | -74.7 | 0 | 0 | 0 | 109.1 | ||||
| 671 | H | 35.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | 25.9 | 132.9 | 160.5 | -41 | -70.9 | 0 | 0 | 0 | 119.3 | ||||
| 672 | H | 33.8 | Very low | 38.7 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | -158.2 | 174.8 | 53.1 | -85.4 | -84 | 0 | 0 | 0 | 115 | |||||
| 673 | H | 33.8 | Very low | 37.3 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -28.8 | 154.7 | 177.8 | -64.6 | -75.6 | 0 | 0 | 0 | 121.8 | ||||
| 674 | G | 30.6 | Very low | 36.4 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 147.3 | 50.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 675 | N | 33.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 71.8 | 138.9 | 87.5 | -158.1 | 32.8 | 0 | 0 | 0 | 115.2 | |||||
| 676 | N | 35.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | 69.4 | 148.5 | 175.6 | -57.7 | -18.5 | 0 | 0 | 0 | 117.4 | ||||
| 677 | T | 33.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -166.9 | 154 | -18 | 24.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 678 | S | 35.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 66.1 | 153.9 | 155.5 | -66.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 679 | L | 37.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | cis | -149 | 118.1 | -18.8 | -101.1 | 159.7 | 0 | 0 | 0 | 104.7 | ||||
| 680 | R | 30.4 | Very low | 34.2 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | 49.9 | 80.6 | 90.3 | -154.2 | -175.1 | -159.7 | -151.5 | 5.9 | 115 | |||||
| 681 | G | 31.6 | Very low | 33.9 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -132.6 | 105.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 682 | R | 31.6 | Very low | 34.5 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | trans | -128.5 | 169 | -172.8 | -178.5 | 179.5 | 173.6 | -177.9 | -1 | 109.6 | ||||
| 683 | H | 37.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | trans | 87.5 | 123 | 168.9 | -50.4 | -85.6 | 0 | 0 | 0 | 112.4 | ||||
| 684 | Q | 36.6 | Very low | 35.1 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | cis | -147.9 | -167 | -4.3 | -137.6 | 138.2 | -96.2 | 0 | 0 | 107.5 | ||||
| 685 | H | 30.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | cis | -147.4 | 175.4 | 15.5 | -142.3 | -81.7 | 0 | 0 | 0 | 113.6 | ||||
| 686 | H | 30.6 | Very low | 35.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | -123.1 | -174.5 | 173.8 | -62.3 | -72.3 | 0 | 0 | 0 | 108.8 | ||||
| 687 | P | 48.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | -141.8 | 159 | 2.9 | 41.3 | -22.8 | 0 | 0 | 0 | 118.7 | ||||
| 688 | S | 30.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -179.3 | 112.4 | 137.1 | 38.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 689 | S | 32.9 | Very low | 36.3 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | 56.7 | 124 | 85.1 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 690 | S | 31.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | cis | -163.5 | 155.7 | 2.6 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 691 | S | 31.2 | Very low | 36 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -73.7 | 176.1 | 169.9 | -49 | 0 | 0 | 0 | 0 | 112 | ||||
| 692 | P | 47.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | cis | -142.9 | -178.2 | 17.5 | 43.7 | -23.1 | 0 | 0 | 0 | 119 | ||||
| 693 | S | 31.2 | Very low | 35.8 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -68.6 | -168.7 | 169 | -30 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 694 | P | 49.2 | Very low | 35.6 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -138.3 | 179.6 | -5 | 40.5 | -22.5 | 0 | 0 | 0 | 115.9 | ||||
| 695 | R | 32.3 | Very low | 35.8 | Very low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | 173.6 | 147.6 | 125.9 | -92.5 | 159.1 | -159 | -125.1 | 4 | 114.4 | |||||
| 696 | Q | 36.6 | Very low | 35.9 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -96.6 | 175.7 | 161.8 | -80.9 | -178.1 | -13.8 | 0 | 0 | 108.8 | ||||
| 697 | P | 43.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -144.4 | -173.1 | 22.7 | 42.9 | -21.4 | 0 | 0 | 0 | 118.4 | ||||
| 698 | L | 34.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 162.3 | 162 | -74.4 | 168.2 | 0 | 0 | 0 | 112 | ||||
| 699 | P | 46 | Very low | 35.2 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | -158.8 | 173.3 | 56.7 | 44.8 | -22.7 | 0 | 0 | 0 | 121.8 | |||||
| 700 | A | 30.3 | Very low | 35 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 60.2 | 113.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 701 | R | 31 | Very low | 35.3 | Very low | 226 Ų | 226 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | 52.5 | 108.7 | 117.1 | -174.3 | -160.6 | 177.9 | 177 | 0.3 | 121.4 | |||||
| 702 | T | 29.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | -170.8 | 128.9 | 124.3 | 23.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 703 | Q | 30.9 | Very low | 35.1 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 61.5 | 116.3 | 92.9 | -78.4 | -177.2 | -30.3 | 0 | 0 | 117.2 | |||||
| 704 | T | 32.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 17.1 | 138 | 138.2 | 49.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 705 | P | 41.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | -147.3 | -163.1 | 74.7 | 43.1 | -25.3 | 0 | 0 | 0 | 116.6 | |||||
| 706 | E | 32.2 | Very low | 34.8 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -84.7 | 175.1 | -175 | -51.6 | 171.1 | 115.9 | 0 | 0 | 114.3 | ||||
| 707 | Y | 30 | Very low | 34.7 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 158.6 | 126 | 138.4 | -91.1 | -75.4 | 0 | 0 | 0 | 107.3 | ||||
| 708 | L | 31.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | 73.9 | 146.4 | 55.4 | -116.4 | 175 | 0 | 0 | 0 | 114.6 | |||||
| 709 | I | 32.1 | Very low | 34.2 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | 80.2 | 146.9 | 172.4 | -55.6 | 166.5 | 0 | 0 | 0 | 115.6 | ||||
| 710 | S | 30.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 58% | 0.58 | 81% | 0.808 | S | S | * | * | cis | -176.3 | 145.3 | -34.1 | -171 | 0 | 0 | 0 | 0 | 111 | ||||
| 711 | Q | 36.8 | Very low | 33.6 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 54.2 | 155.8 | 148.8 | -81.4 | -178.3 | 60.4 | 0 | 0 | 124.4 | ||||
| 712 | S | 37 | Very low | 33.8 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 68.8 | 150.7 | 151.4 | 63.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 713 | E | 37.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | cis | -171.9 | 158.7 | -27.3 | -172 | 165.5 | -167 | 0 | 0 | 107.1 | ||||
| 714 | G | 35.8 | Very low | 34.4 | Very low | 64 Ų | 64 | 148.3 Ų | 148.3 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | 141 | 126.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 715 | V | 35.7 | Very low | 34.6 | Very low | 227 Ų | 227 | 150.3 Ų | 150.3 | 100% | 1.376 | 82% | 0.824 | S | S | * | * | trans | 68 | 0 | 162.7 | -163.9 | 0 | 0 | 0 | 0 | 116.8 |
Retrieved 715 of 715 residues in 216.7 ms
(Link to these results)