| 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 | 41 | Very low | 60.7 | Low | 207 Ų | 207 | 100.6 Ų | 100.6 | 100% | 1.02 | 53% | 0.528 | S | S | * | . | 0 | -91.5 | 0 | -68.2 | -172.6 | -178.9 | 0 | 0 | 110.9 | H3 S4 Y5 | M1-H3 PolarHBondContact O-N 3.2Å; M1-S4 WeakPolarHBondContact O-CA 3.5Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.29Å; M1-Y5 PolarHBondContact O-N 2.95Å | |||
| 2 | L | 55.1 | Low | 60.9 | Low | 134 Ų | 134 | 106.7 Ų | 106.7 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -53.7 | -45.4 | -170 | -155.7 | 85.5 | 0 | 0 | 0 | 114.1 | Y5 L6 | L2-Y5 PolarHBondContact O-N 3.43Å; L2-L6 HydrophobicContact CD2-CD1 4.42Å; L2-L6 HydrophobicContact CG-CD1 4.38Å; L2-L6 WeakPolarHBondContact O-CG 3.21Å; L2-L6 PolarHBondContact O-N 3.18Å |
| 3 | H | 54.1 | Low | 60.1 | Low | 140 Ų | 140 | 103.2 Ų | 103.2 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 175.1 | -168.1 | -40.9 | 0 | 0 | 0 | 112.1 | M1 Y5 L6 T7 | M1-H3 PolarHBondContact O-N 3.2Å; H3-Y5 VanDerWaalsContact C-N 3.29Å; H3-Y5 PolarHBondContact O-N 3.4Å; H3-L6 PolarHBondContact O-N 2.67Å; H3-T7 PolarHBondContact CE1-OG1 3.32Å; H3-T7 PolarHBondContact ND1-OG1 3.46Å; H3-T7 WeakPolarHBondContact O-CB 3.35Å; H3-T7 PolarHBondContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 3.1Å |
| 4 | S | 60 | Low | 59.4 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 175.9 | -45.4 | 0 | 0 | 0 | 0 | 111.9 | M1 T7 D8 | M1-S4 WeakPolarHBondContact O-CA 3.5Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.29Å; S4-T7 PolarHBondContact O-N 3.11Å; S4-D8 VanDerWaalsContact O-CB 3.27Å; S4-D8 WeakPolarHBondContact O-CB 3.41Å; S4-D8 PolarHBondContact O-N 3.14Å |
| 5 | Y | 62 | Low | 59.4 | Low | 157 Ų | 157 | 100.9 Ų | 100.9 | 62% | 0.616 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 179 | -172.4 | -106.4 | 0 | 0 | 0 | 112.1 | M1 L2 H3 D8 I9 | M1-Y5 PolarHBondContact O-N 2.95Å; L2-Y5 PolarHBondContact O-N 3.43Å; H3-Y5 VanDerWaalsContact C-N 3.29Å; H3-Y5 PolarHBondContact O-N 3.4Å; Y5-D8 PolarHBondContact O-N 3.28Å; Y5-I9 HydrophobicContact CD1-CD1 3.81Å; Y5-I9 HydrophobicContact CE1-CD1 3.45Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.12Å; Y5-I9 PolarHBondContact O-N 2.81Å |
| 6 | L | 66.6 | Low | 59.1 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 174.5 | -68.2 | 172 | 0 | 0 | 0 | 112.4 | L2 H3 G10 | L2-L6 HydrophobicContact CD2-CD1 4.42Å; L2-L6 HydrophobicContact CG-CD1 4.38Å; L2-L6 WeakPolarHBondContact O-CG 3.21Å; L2-L6 PolarHBondContact O-N 3.18Å; H3-L6 PolarHBondContact O-N 2.67Å; L6-G10 PolarHBondContact O-N 3.46Å |
| 7 | T | 68.6 | Low | 58.6 | Low | 71 Ų | 71 | 96.3 Ų | 96.3 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | H3 S4 G10 T11 | H3-T7 PolarHBondContact CE1-OG1 3.32Å; H3-T7 PolarHBondContact ND1-OG1 3.46Å; H3-T7 WeakPolarHBondContact O-CB 3.35Å; H3-T7 PolarHBondContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 3.1Å; S4-T7 PolarHBondContact O-N 3.11Å; T7-G10 CarbonylContact O-C 3.6Å; T7-G10 WeakPolarHBondContact O-CA 3.26Å; T7-G10 PolarHBondContact O-N 2.95Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-T11 PolarHBondContact O-N 3.15Å; T7-T11 PolarHBondContact O-OG1 3.2Å |
| 8 | D | 62.7 | Low | 58 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.8 | -28.9 | -179.5 | -155 | 53 | 0 | 0 | 0 | 112.5 | S4 Y5 T11 R12 | S4-D8 VanDerWaalsContact O-CB 3.27Å; S4-D8 WeakPolarHBondContact O-CB 3.41Å; S4-D8 PolarHBondContact O-N 3.14Å; Y5-D8 PolarHBondContact O-N 3.28Å; D8-T11 WeakPolarHBondContact CA-OG1 3.46Å; D8-T11 PolarHBondContact O-OG1 3.47Å; D8-R12 VanDerWaalsContact O-CB 3.26Å; D8-R12 WeakPolarHBondContact O-CB 3.25Å; D8-R12 WeakPolarHBondContact O-CD 3.33Å; D8-R12 WeakPolarHBondContact O-CG 3.32Å; D8-R12 PolarHBondContact O-N 3.22Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 IonicContact OD1-NE 3.76Å; D8-R12 IonicContact OD1-NH2 3.99Å; D8-R12 IonicContact OD2-CZ 3.18Å; D8-R12 IonicContact OD2-NE 2.78Å; D8-R12 PolarHBondContact OD2-NE 3.35Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 2.98Å |
| 9 | I | 67.5 | Low | 57.9 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 28% | 0.277 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 164.4 | -73.6 | 169.5 | 0 | 0 | 0 | 110.6 | Y5 R12 N13 I16 | Y5-I9 HydrophobicContact CD1-CD1 3.81Å; Y5-I9 HydrophobicContact CE1-CD1 3.45Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.12Å; Y5-I9 PolarHBondContact O-N 2.81Å; I9-R12 PolarHBondContact O-N 3.38Å; I9-N13 PolarHBondContact O-N 2.98Å; I9-I16 HydrophobicContact CG2-CG2 4.15Å |
| 10 | G | 61.6 | Low | 57.5 | Low | 16 Ų | 16 | 101.2 Ų | 101.2 | 17% | 0.165 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -67.7 | -31.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L6 T7 | L6-G10 PolarHBondContact O-N 3.46Å; T7-G10 CarbonylContact O-C 3.6Å; T7-G10 WeakPolarHBondContact O-CA 3.26Å; T7-G10 PolarHBondContact O-N 2.95Å; T7-G10 VanDerWaalsContact O-N 3.09Å |
| 11 | T | 67.9 | Low | 56.6 | Low | 98 Ų | 98 | 103.5 Ų | 103.5 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.3 | -41.5 | 173 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | T7 D8 | T7-T11 PolarHBondContact O-N 3.15Å; T7-T11 PolarHBondContact O-OG1 3.2Å; D8-T11 WeakPolarHBondContact CA-OG1 3.46Å; D8-T11 PolarHBondContact O-OG1 3.47Å |
| 12 | R | 63.4 | Low | 56.7 | Low | 173 Ų | 173 | 99.1 Ų | 99.1 | 65% | 0.653 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.3 | -24.9 | 179.3 | -68.9 | 174.7 | -164.7 | -114.5 | 6 | 113.7 | D8 I9 | D8-R12 VanDerWaalsContact O-CB 3.26Å; D8-R12 WeakPolarHBondContact O-CB 3.25Å; D8-R12 WeakPolarHBondContact O-CD 3.33Å; D8-R12 WeakPolarHBondContact O-CG 3.32Å; D8-R12 PolarHBondContact O-N 3.22Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 IonicContact OD1-NE 3.76Å; D8-R12 IonicContact OD1-NH2 3.99Å; D8-R12 IonicContact OD2-CZ 3.18Å; D8-R12 IonicContact OD2-NE 2.78Å; D8-R12 PolarHBondContact OD2-NE 3.35Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 2.98Å; I9-R12 PolarHBondContact O-N 3.38Å |
| 13 | N | 50.3 | Low | 55.9 | Low | 61 Ų | 61 | 98 Ų | 98 | 33% | 0.326 | 52% | 0.524 | S | S | . | . | trans | -146.8 | 78.9 | -176.2 | -158.4 | -39.9 | 0 | 0 | 0 | 112.4 | I9 S15 I16 | I9-N13 PolarHBondContact O-N 2.98Å; N13-S15 PolarHBondContact O-N 2.78Å; N13-S15 VanDerWaalsContact O-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.16Å; N13-I16 HydrophobicContact CB-CB 4.46Å; N13-I16 HydrophobicContact CB-CD1 3.94Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; N13-I16 PolarHBondContact O-N 3.12Å | ||
| 14 | P | 50.4 | Low | 54.7 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -15.6 | -178.9 | 24.4 | -34.3 | 0 | 0 | 0 | 114.2 | I16 T17 | P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.14Å; P14-T17 PolarHBondContact O-OG1 3.24Å; P14-T17 VanDerWaalsContact O-OG1 3.11Å |
| 15 | S | 59 | Low | 53.3 | Low | 82 Ų | 82 | 102 Ų | 102 | 57% | 0.573 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73 | -11.6 | 170.8 | 20.6 | 0 | 0 | 0 | 0 | 114.6 | N13 S18 | N13-S15 PolarHBondContact O-N 2.78Å; N13-S15 VanDerWaalsContact O-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.16Å; S15-S18 PolarHBondContact O-OG 2.78Å |
| 16 | I | 55.8 | Low | 51.8 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 35% | 0.354 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -95.3 | -36.2 | 177.9 | -70.8 | 177.3 | 0 | 0 | 0 | 111.7 | I9 N13 P14 S18 K19 L20 | I9-I16 HydrophobicContact CG2-CG2 4.15Å; N13-I16 HydrophobicContact CB-CB 4.46Å; N13-I16 HydrophobicContact CB-CD1 3.94Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; N13-I16 PolarHBondContact O-N 3.12Å; P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.14Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.95Å; I16-K19 PolarHBondContact O-N 3.09Å; I16-K19 VanDerWaalsContact O-N 3.15Å; I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 PolarHBondContact O-N 2.93Å |
| 17 | T | 49.4 | Very low | 50.1 | Low | 54 Ų | 54 | 105.7 Ų | 105.7 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -37.5 | -179.8 | 26.5 | 0 | 0 | 0 | 0 | 113.1 | P14 K19 L20 W21 | P14-T17 PolarHBondContact O-OG1 3.24Å; P14-T17 VanDerWaalsContact O-OG1 3.11Å; T17-K19 PolarHBondContact O-N 2.85Å; T17-L20 PolarHBondContact O-N 3.48Å; T17-L20 VanDerWaalsContact O-N 3.14Å; T17-W21 PolarHBondContact O-N 2.88Å |
| 18 | S | 48.8 | Very low | 48.2 | Very low | 83 Ų | 83 | 109.1 Ų | 109.1 | 58% | 0.58 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.4 | -21.7 | 176.6 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | S15 I16 | S15-S18 PolarHBondContact O-OG 2.78Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.95Å |
| 19 | K | 55.5 | Low | 46.5 | Very low | 186 Ų | 186 | 110 Ų | 110 | 81% | 0.809 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -95.1 | -16.5 | 176 | -70.6 | -175.7 | 177.2 | 178.5 | 0 | 114 | I16 T17 | I16-K19 PolarHBondContact O-N 3.09Å; I16-K19 VanDerWaalsContact O-N 3.15Å; T17-K19 PolarHBondContact O-N 2.85Å |
| 20 | L | 49.8 | Very low | 44.7 | Very low | 118 Ų | 118 | 112.2 Ų | 112.2 | 62% | 0.618 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -103.1 | -29.1 | -178.2 | -78.3 | 169.3 | 0 | 0 | 0 | 113.9 | I16 T17 | I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 PolarHBondContact O-N 2.93Å; T17-L20 PolarHBondContact O-N 3.48Å; T17-L20 VanDerWaalsContact O-N 3.14Å |
| 21 | W | 39.9 | Very low | 43.3 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | -133.7 | 89.9 | 177.5 | -83.7 | -12.1 | 0 | 0 | 0 | 112.8 | T17 S23 Y24 | T17-W21 PolarHBondContact O-N 2.88Å; W21-S23 PolarHBondContact O-N 3.38Å; W21-Y24 AromaticContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CE2 4.24Å; W21-Y24 AromaticContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CD2 3.47Å; W21-Y24 VanDerWaalsContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CE2 4.03Å; W21-Y24 HydrophobicContact CE3-CG 4.08Å; W21-Y24 HydrophobicContact CG-CD2 4.33Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 HydrophobicContact CH2-CE2 4.04Å; W21-Y24 HydrophobicContact CZ2-CE2 4.25Å; W21-Y24 AromaticContact CZ3-CD2 3.78Å; W21-Y24 HydrophobicContact CZ3-CD2 3.78Å; W21-Y24 AromaticContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CG 4.33Å | ||
| 22 | P | 42.7 | Very low | 41.4 | Very low | 116 Ų | 116 | 119 Ų | 119 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 18.8 | 174.2 | -19.6 | 34.3 | 0 | 0 | 0 | 115.7 | ||
| 23 | S | 36.9 | Very low | 39.8 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.5 | 17.6 | -166.2 | -50.8 | 0 | 0 | 0 | 0 | 116.4 | W21 | W21-S23 PolarHBondContact O-N 3.38Š|
| 24 | Y | 30.2 | Very low | 38.6 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | trans | -105.9 | 93.6 | 169.6 | -100.6 | -81.1 | 0 | 0 | 0 | 110.5 | W21 L26 | W21-Y24 AromaticContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CE2 4.24Å; W21-Y24 AromaticContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CD2 3.47Å; W21-Y24 VanDerWaalsContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CE2 4.03Å; W21-Y24 HydrophobicContact CE3-CG 4.08Å; W21-Y24 HydrophobicContact CG-CD2 4.33Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 HydrophobicContact CH2-CE2 4.04Å; W21-Y24 HydrophobicContact CZ2-CE2 4.25Å; W21-Y24 AromaticContact CZ3-CD2 3.78Å; W21-Y24 HydrophobicContact CZ3-CD2 3.78Å; W21-Y24 AromaticContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CG 4.33Å; Y24-L26 PolarHBondContact O-N 3.48Å | ||
| 25 | N | 30.4 | Very low | 37.6 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | trans | -67.9 | 117.4 | 166.8 | -96.9 | 12 | 0 | 0 | 0 | 109.2 | ||||
| 26 | L | 30.8 | Very low | 36 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | -107.3 | 56.3 | 179 | -132.7 | 82 | 0 | 0 | 0 | 111.7 | Y24 T28 | Y24-L26 PolarHBondContact O-N 3.48Å; L26-T28 PolarHBondContact O-N 2.9Å | ||
| 27 | E | 30.2 | Very low | 34.8 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -85.1 | 76.9 | 173.1 | -69.7 | -170.3 | 130.9 | 0 | 0 | 111.1 | ||||
| 28 | T | 28.9 | Very low | 34 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -172.9 | 63.3 | 159.3 | 11.7 | 0 | 0 | 0 | 0 | 111.2 | L26 | L26-T28 PolarHBondContact O-N 2.9Š| ||
| 29 | A | 26.9 | Very low | 33 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | -139.7 | 47.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 30 | S | 31.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -117.2 | 90.7 | 179.2 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | V32 | S30-V32 PolarHBondContact O-N 3.39Š| ||
| 31 | T | 30.5 | Very low | 31 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 16.8 | 96.7 | 146.8 | 54.3 | 0 | 0 | 0 | 0 | 118 | N33 | T31-N33 PolarHBondContact O-N 3.47Š| ||
| 32 | V | 28.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -89.2 | 77.6 | 159.5 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | S30 F34 | S30-V32 PolarHBondContact O-N 3.39Å; V32-F34 HydrophobicContact CG1-CD2 4.43Å; V32-F34 HydrophobicContact CG1-CE2 4.26Å | ||
| 33 | N | 30.1 | Very low | 30 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 116.4 | 166.8 | -100.9 | -8.4 | 0 | 0 | 0 | 109.1 | T31 H35 | T31-N33 PolarHBondContact O-N 3.47Å; N33-H35 PolarHBondContact O-N 3.34Å | ||
| 34 | F | 24.8 | Very low | 29.6 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 108.9 | 170.7 | -83.2 | -98.7 | 0 | 0 | 0 | 110 | V32 | V32-F34 HydrophobicContact CG1-CD2 4.43Å; V32-F34 HydrophobicContact CG1-CE2 4.26Å | ||
| 35 | H | 30.4 | Very low | 29.6 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -136.3 | 129.9 | 158.8 | -103.5 | 38.9 | 0 | 0 | 0 | 109.9 | N33 | N33-H35 PolarHBondContact O-N 3.34Š| ||
| 36 | S | 24.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 121.4 | -174.5 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 37 | V | 31.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -133.1 | 146.2 | 162.3 | -177 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 38 | S | 31.8 | Very low | 29.4 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -80.9 | 156.3 | -168.1 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | N | 27.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -2.1 | 135.2 | 151.2 | -50.7 | -7.7 | 0 | 0 | 0 | 117.6 | ||||
| 40 | N | 32.5 | Very low | 30 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | -173.7 | 140.9 | 98.3 | -90.9 | -29.5 | 0 | 0 | 0 | 114.1 | |||||
| 41 | N | 32.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | 66.1 | 155.9 | 150.7 | -60.2 | -7.4 | 0 | 0 | 0 | 121 | ||||
| 42 | S | 28.1 | Very low | 30 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -82.5 | 158.4 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 43 | D | 33.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -169.3 | 155.7 | 102.2 | -91.4 | -7.1 | 0 | 0 | 0 | 112.3 | |||||
| 44 | T | 27.9 | Very low | 29.9 | Very low | 136 Ų | 136 | 146 Ų | 146 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -85.1 | 134.7 | 177.7 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 45 | L | 30 | Very low | 30.3 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 172.5 | 156.1 | -113.7 | 172.6 | 0 | 0 | 0 | 112.4 | ||||
| 46 | K | 30.4 | Very low | 30.2 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -105.3 | 149.7 | -154.4 | -70.2 | 174 | 178.4 | 174.3 | 0 | 114 | ||||
| 47 | I | 25.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 45.5 | 120.3 | 136.2 | -56.8 | 163.7 | 0 | 0 | 0 | 117.7 | ||||
| 48 | I | 32.1 | Very low | 30.3 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -159.4 | 142.4 | 127.1 | -98.1 | 145.9 | 0 | 0 | 0 | 107.9 | |||||
| 49 | N | 26.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 121.8 | 179 | -171.6 | 48.1 | 0 | 0 | 0 | 109.3 | ||||
| 50 | P | 42 | Very low | 30.3 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 118.9 | 173.9 | 33.7 | -26.8 | 0 | 0 | 0 | 111.5 | ||||
| 51 | E | 29.3 | Very low | 30.4 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -72.5 | 150.1 | 168.3 | -59.3 | -177.1 | 150.6 | 0 | 0 | 111 | ||||
| 52 | G | 31.9 | Very low | 30.1 | Very low | 68 Ų | 68 | 148.2 Ų | 148.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 174.4 | 83.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 53 | F | 30.9 | Very low | 30.3 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | 123.9 | 142.4 | 155.4 | -76.5 | -76.8 | 0 | 0 | 0 | 116.4 | ||||
| 54 | S | 26.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -147.3 | -179 | -166.2 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | M | 31.2 | Very low | 30.1 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 84.6 | 132.4 | -174.2 | -49.6 | -143.4 | -168.8 | 0 | 0 | 114.9 | ||||
| 56 | N | 30.3 | Very low | 30.2 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | cis | -156.1 | 146 | -7.2 | -113.3 | -18.7 | 0 | 0 | 0 | 111.2 | ||||
| 57 | C | 24.9 | Very low | 30.4 | Very low | 123 Ų | 123 | 152 Ų | 152 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -127.6 | 133.7 | 174.9 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 58 | T | 31.5 | Very low | 30.8 | Very low | 129 Ų | 129 | 153 Ų | 153 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -154.9 | 139 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 59 | R | 30.3 | Very low | 30.6 | Very low | 230 Ų | 230 | 151.8 Ų | 151.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | cis | -141.6 | 137 | -0.8 | -97.2 | 162.9 | 164.5 | 161.6 | -6.9 | 105.7 | ||||
| 60 | F | 29.4 | Very low | 31 | Very low | 188 Ų | 188 | 152.1 Ų | 152.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | 59.2 | 145.8 | 72.2 | -80.3 | -64.8 | 0 | 0 | 0 | 115.6 | |||||
| 61 | P | 34.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 153.6 Ų | 153.6 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | -133.4 | 169.2 | -5.7 | 39.5 | -22.5 | 0 | 0 | 0 | 116.5 | ||||
| 62 | T | 26.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -110.8 | 151.4 | 158.1 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | T | 31.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 155.3 Ų | 155.3 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -142.5 | 110.4 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 64 | Y | 29.1 | Very low | 30.4 | Very low | 224 Ų | 224 | 154.9 Ų | 154.9 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | 178.3 | 123.4 | 125.8 | -114.7 | -82.5 | 0 | 0 | 0 | 110.2 | |||||
| 65 | E | 28.1 | Very low | 30.6 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -121 | 145.1 | 161.5 | -67.8 | -176.3 | 116.2 | 0 | 0 | 107.5 | ||||
| 66 | E | 31.3 | Very low | 30.4 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -178.7 | 176.3 | 141.1 | -108.4 | -177.2 | 171.5 | 0 | 0 | 112.2 | ||||
| 67 | S | 34 | Very low | 30.5 | Very low | 112 Ų | 112 | 157.1 Ų | 157.1 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | 64.2 | 88.8 | -170.9 | 66 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | Q | 33.6 | Very low | 30.7 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | 77.7 | 107.3 | 64.8 | -66.5 | -160.6 | 6.9 | 0 | 0 | 116.6 | |||||
| 69 | N | 29.6 | Very low | 30.7 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | 36.1 | 112.5 | 130 | -58 | -14.4 | 0 | 0 | 0 | 120.7 | |||||
| 70 | N | 33.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | -154.2 | 134.9 | 123.6 | -87.9 | -47.5 | 0 | 0 | 0 | 106.8 | |||||
| 71 | L | 30.3 | Very low | 30.8 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | 53.6 | 124.2 | 86.2 | -94.3 | 74.8 | 0 | 0 | 0 | 112.2 | |||||
| 72 | E | 32.6 | Very low | 30.6 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | cis | -141.7 | 178.6 | 20.5 | -101.3 | 173.1 | 152.2 | 0 | 0 | 114.9 | ||||
| 73 | T | 28.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | -99.1 | -179.8 | -179.3 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 74 | Y | 30.6 | Very low | 30.7 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | 78.4 | 135.1 | 173.1 | -46.4 | -78.3 | 0 | 0 | 0 | 114.3 | ||||
| 75 | L | 31.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | cis | -133.7 | 167.4 | 17.6 | -77.3 | 167.6 | 0 | 0 | 0 | 113.3 | ||||
| 76 | T | 27.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -101.6 | 135 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 77 | D | 31.9 | Very low | 30.5 | Very low | 172 Ų | 172 | 144 Ų | 144 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | -170.3 | 152.9 | 145 | -96.7 | -26.3 | 0 | 0 | 0 | 109 | ||||
| 78 | G | 29.1 | Very low | 30.2 | Very low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | 156.1 | 31.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 79 | S | 31.2 | Very low | 30 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -159 | 141.4 | 170 | -166.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 80 | S | 29.7 | Very low | 29.9 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -95.1 | 145.3 | 171.7 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | N | 32.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -154.9 | 132.2 | 140.1 | -103.7 | -37.4 | 0 | 0 | 0 | 111.6 | ||||
| 82 | N | 29.4 | Very low | 29.6 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 140.6 | -179 | -60 | -46.5 | 0 | 0 | 0 | 110.5 | ||||
| 83 | N | 31.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -169.6 | 73.1 | 153.7 | -98.6 | -28.9 | 0 | 0 | 0 | 111.1 | ||||
| 84 | S | 29.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -103 | 69.2 | 175.5 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | Y86 | S84-Y86 PolarHBondContact O-N 3.01Š| ||
| 85 | T | 29.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 94.7 | -179.4 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | I87 | T85-I87 HydrophobicContact CG2-CD1 4.41Å; T85-I87 HydrophobicContact CG2-CG1 4.03Å; T85-I87 PolarHBondContact O-N 2.73Å | ||
| 86 | Y | 25.8 | Very low | 29 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | -63.3 | 115.8 | 167.5 | -110.6 | -96.2 | 0 | 0 | 0 | 110.3 | S84 | S84-Y86 PolarHBondContact O-N 3.01Š| ||
| 87 | I | 30.2 | Very low | 29.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -112 | 124.7 | 170.4 | -59.5 | -177.8 | 0 | 0 | 0 | 108.7 | T85 | T85-I87 HydrophobicContact CG2-CD1 4.41Å; T85-I87 HydrophobicContact CG2-CG1 4.03Å; T85-I87 PolarHBondContact O-N 2.73Å | ||
| 88 | R | 26.1 | Very low | 28.9 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -88.2 | 137.9 | 175.6 | -54.1 | -179.5 | -171.5 | -176.1 | 2.7 | 109.8 | ||||
| 89 | P | 30.6 | Very low | 29 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -89 | 115.4 | 164.2 | 32.5 | -28.6 | 0 | 0 | 0 | 110.6 | ||||
| 90 | F | 27.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 63% | 0.627 | 79% | 0.785 | S | S | * | * | trans | -139.9 | 151.2 | 157.2 | -110.4 | -86.5 | 0 | 0 | 0 | 107.8 | Y322 | F90-Y322 WeakPolarHBondContact CE2-OH 3.44Å; F90-Y322 AromaticContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE2 4.49Å; F90-Y322 AromaticContact CZ-CZ 3.62Å; F90-Y322 WeakPolarHBondContact CZ-OH 3.44Å | ||
| 91 | D | 27 | Very low | 28.8 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 58.7 | 118.8 | -179.3 | -50.3 | -30.8 | 0 | 0 | 0 | 114.8 | ||||
| 92 | L | 30.5 | Very low | 28.7 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | -159.7 | 149.2 | 73.2 | -91.4 | 161.9 | 0 | 0 | 0 | 112.7 | |||||
| 93 | C | 25.4 | Very low | 28.4 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -78.4 | 157.5 | 168.2 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 94 | S | 27 | Very low | 28.3 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 58.9 | 95.7 | 147.5 | -59.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 95 | R | 29.8 | Very low | 28.1 | Very low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | 179.6 | 150.6 | 104.1 | -94.5 | 158.5 | -177.1 | -171 | 0.5 | 112.7 | |||||
| 96 | S | 27 | Very low | 28.1 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 134.7 | 178.1 | -48 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 97 | I | 30.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 118.2 | 168 | -58 | 178.1 | 0 | 0 | 0 | 108.3 | I99 | I97-I99 HydrophobicContact CG2-CG1 4.43Š| ||
| 98 | P | 27.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 140.8 | 169.2 | 33.7 | -31 | 0 | 0 | 0 | 110.5 | ||||
| 99 | I | 31.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -121.1 | 128.7 | 171.5 | -62.7 | 179.8 | 0 | 0 | 0 | 108.5 | I97 F101 | I97-I99 HydrophobicContact CG2-CG1 4.43Å; I99-F101 HydrophobicContact CG2-CD2 3.86Å; I99-F101 HydrophobicContact CG2-CE2 3.56Å; I99-F101 HydrophobicContact CG2-CZ 4.45Å | ||
| 100 | H | 26.2 | Very low | 28.3 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -107.4 | 133.5 | -178 | -138.2 | -51 | 0 | 0 | 0 | 109.2 | ||||
| 101 | F | 29.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -133.5 | 159.4 | 165.7 | -80.6 | -65.3 | 0 | 0 | 0 | 109.5 | I99 | I99-F101 HydrophobicContact CG2-CD2 3.86Å; I99-F101 HydrophobicContact CG2-CE2 3.56Å; I99-F101 HydrophobicContact CG2-CZ 4.45Å | ||
| 102 | P | 29.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -111.7 | 157.6 | -141.5 | 20.6 | -1.2 | 0 | 0 | 0 | 115 | ||||
| 103 | T | 24.9 | Very low | 28.6 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 135.6 | 166.5 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 104 | F | 30 | Very low | 28.7 | Very low | 188 Ų | 188 | 153 Ų | 153 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -125.2 | 112.5 | 161.9 | -101.8 | -83.6 | 0 | 0 | 0 | 109.8 | ||||
| 105 | N | 25.2 | Very low | 28.8 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -94.6 | 135.5 | 165.8 | -79.8 | -16 | 0 | 0 | 0 | 109.1 | ||||
| 106 | N | 29.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 152 Ų | 152 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 109.7 | 148.7 | -86.2 | -39 | 0 | 0 | 0 | 105.5 | ||||
| 107 | Y | 25.7 | Very low | 29 | Very low | 211 Ų | 211 | 152.5 Ų | 152.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | 50.7 | 93.8 | 82.4 | -87.6 | -78.2 | 0 | 0 | 0 | 113.9 | |||||
| 108 | Q | 29.5 | Very low | 29 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | 178 | 137.6 | 113.8 | -95.5 | 168.1 | -29.8 | 0 | 0 | 111.4 | |||||
| 109 | S | 27.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -95.3 | 169.4 | 154.5 | 57.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 110 | P | 34.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 152 Ų | 152 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | -149.1 | 153.5 | 94.5 | 38.7 | -21.7 | 0 | 0 | 0 | 117.2 | |||||
| 111 | E | 31.2 | Very low | 29.4 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | 45 | 129.2 | 132.7 | -56.9 | -179 | 142.4 | 0 | 0 | 124.4 | ||||
| 112 | H | 27.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 35.4 | 120 | 133.8 | -70.9 | -97 | 0 | 0 | 0 | 121.9 | ||||
| 113 | I | 32.4 | Very low | 29.5 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -130.7 | 132.3 | 132.6 | -65 | -176.3 | 0 | 0 | 0 | 107.9 | ||||
| 114 | E | 25.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 164.5 | 174.6 | -55.8 | 176.9 | 125.2 | 0 | 0 | 111.2 | ||||
| 115 | I | 31.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 179 | 135.1 | 128.2 | -94.8 | 157.9 | 0 | 0 | 0 | 112.6 | |||||
| 116 | E | 31.6 | Very low | 29.4 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 48.4 | 87.9 | 156.1 | -66.6 | 174.4 | 178.3 | 0 | 0 | 120.9 | ||||
| 117 | T | 27.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -14.2 | 136.1 | 132.6 | 52.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 118 | N | 31.4 | Very low | 29.3 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | -146.9 | 142.4 | 126.7 | -107 | -55.2 | 0 | 0 | 0 | 109.8 | |||||
| 119 | A | 28.9 | Very low | 29.3 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -120.7 | 149.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 120 | V | 32.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -165.8 | 139.2 | 140.1 | 139.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | N | 32.6 | Very low | 28.9 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 51.9 | 79.4 | 169.9 | -72.1 | -12.2 | 0 | 0 | 0 | 119 | ||||
| 122 | V | 28 | Very low | 28.8 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 129 | 155.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 123 | K | 32.1 | Very low | 28.7 | Very low | 208 Ų | 208 | 149.9 Ų | 149.9 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -151.1 | 63.6 | 138.1 | -125.3 | 178.3 | -174.9 | -176.9 | 0 | 114.5 | ||||
| 124 | S | 25.9 | Very low | 28.5 | Very low | 84 Ų | 84 | 149 Ų | 149 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | -50.2 | 167.4 | 146.8 | -25.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 125 | I | 26 | Very low | 28.5 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -162 | 156.1 | 6 | -139.4 | 161.9 | 0 | 0 | 0 | 110.4 | ||||
| 126 | N | 25.9 | Very low | 28.4 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | trans | 46.4 | 153.1 | 152.6 | -60.4 | -10.1 | 0 | 0 | 0 | 126 | ||||
| 127 | Q | 27.1 | Very low | 28.1 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 83.9 | 127 | 133.1 | -85.9 | 150.6 | -27 | 0 | 0 | 121.7 | ||||
| 128 | F | 27.6 | Very low | 28.2 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -57 | 152.3 | 157.3 | -71.5 | -106.9 | 0 | 0 | 0 | 111.7 | ||||
| 129 | P | 29.2 | Very low | 28 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -111.8 | 142.8 | 144.7 | 35.1 | -27.5 | 0 | 0 | 0 | 112.1 | ||||
| 130 | D | 27.1 | Very low | 28 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -75 | 173.4 | 164.7 | -102.2 | -57.9 | 0 | 0 | 0 | 112 | ||||
| 131 | Y | 25.3 | Very low | 27.9 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -9.7 | 126.6 | 159.6 | -71.4 | -98.9 | 0 | 0 | 0 | 118 | ||||
| 132 | S | 29.1 | Very low | 27.7 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -159.2 | 130.6 | 137.4 | 38.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 133 | H | 25.9 | Very low | 27.7 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -76.8 | 131.8 | 152.2 | -83 | -95.4 | 0 | 0 | 0 | 107.8 | ||||
| 134 | I | 28.5 | Very low | 27.7 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -155.4 | 124.6 | 158.2 | -101.6 | 141.6 | 0 | 0 | 0 | 108.5 | ||||
| 135 | L | 25.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | -83 | 146.7 | 155.1 | -76.7 | 74.7 | 0 | 0 | 0 | 107.1 | ||||
| 136 | I | 27.9 | Very low | 27.9 | Very low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -178.5 | 112.1 | 133.4 | -96.2 | 152.7 | 0 | 0 | 0 | 112.2 | ||||
| 137 | N | 26.7 | Very low | 28 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 31.4 | 150.2 | 136.5 | -66.9 | -39.8 | 0 | 0 | 0 | 124.8 | ||||
| 138 | K | 28.1 | Very low | 28.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 76.1 | 147.1 | 151.7 | -77.5 | 167.1 | 172 | -168.8 | 0 | 117.3 | ||||
| 139 | H | 27.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -127.4 | 166.9 | -5.2 | -100 | -70.8 | 0 | 0 | 0 | 107.9 | ||||
| 140 | T | 30.6 | Very low | 28.1 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | -161.6 | 156.6 | 59.2 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 141 | H | 28.8 | Very low | 28.2 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 16 | 136.4 | 140.4 | -65.7 | -80.5 | 0 | 0 | 0 | 120.2 | ||||
| 142 | D | 28.3 | Very low | 28.2 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -158.8 | 171.7 | 12.1 | -109.9 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 143 | A | 29.4 | Very low | 28.4 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 67.5 | 101.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 144 | A | 30.8 | Very low | 28.3 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 45.5 | 122.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 145 | T | 27.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 130 Ų | 130 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | cis | 58.2 | 134.7 | 43.7 | 81.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 146 | N | 29.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -174.9 | 176.2 | -18.9 | -114 | 2.2 | 0 | 0 | 0 | 107.3 | ||||
| 147 | N | 27.7 | Very low | 28.5 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 71.2 | 155.5 | 156.8 | -61.8 | -13.1 | 0 | 0 | 0 | 118 | ||||
| 148 | A | 28.7 | Very low | 28.6 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | cis | -169.1 | 168.8 | -26.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | S | 27.7 | Very low | 28.6 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 45.4 | 109.9 | 141.3 | 64.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 150 | N | 29 | Very low | 28.7 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | 163 | 129.2 | 118.4 | -80.6 | 1.2 | 0 | 0 | 0 | 106.8 | |||||
| 151 | D | 30.7 | Very low | 28.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | cis | -156.9 | 174.8 | 33.3 | -92.7 | -49.1 | 0 | 0 | 0 | 110.6 | ||||
| 152 | C | 25.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -81.9 | 144.8 | 172.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 153 | D | 31.7 | Very low | 28.7 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | -150.7 | 159 | 129.3 | -141 | -22.5 | 0 | 0 | 0 | 112 | |||||
| 154 | C | 24.2 | Very low | 28.6 | Very low | 90 Ų | 90 | 137 Ų | 137 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -111.9 | 163.9 | -164.2 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 155 | N | 27.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 62.8 | 96.1 | 154.4 | -53.4 | -35.5 | 0 | 0 | 0 | 118.5 | ||||
| 156 | K | 31.4 | Very low | 28.6 | Very low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | -150.5 | 121.5 | 126.2 | -100.8 | 133.4 | -173.5 | 175.7 | 0 | 109.3 | |||||
| 157 | V | 28.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | 95.4 | 104.2 | 51.7 | 163.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 158 | D | 27.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 73.5 | 138.5 | 139.4 | -59.8 | -3.5 | 0 | 0 | 0 | 123.2 | ||||
| 159 | E | 28.2 | Very low | 28.6 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 66.5 | 160.5 | 160.2 | -63.5 | -178.9 | 128.6 | 0 | 0 | 115.8 | ||||
| 160 | I | 30.5 | Very low | 28.8 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -140.8 | 129.3 | 31.2 | -79.7 | 175.2 | 0 | 0 | 0 | 112.8 | ||||
| 161 | Q | 32.5 | Very low | 28.8 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 55.9 | 132.5 | 147 | -64.1 | 169.2 | 4.5 | 0 | 0 | 123.6 | ||||
| 162 | N | 25.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -59.7 | 139.5 | 149.8 | -63.8 | -74.2 | 0 | 0 | 0 | 111.8 | ||||
| 163 | S | 28.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -156.7 | 131.8 | 138.9 | 55.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 164 | Q | 26.9 | Very low | 29.1 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -4 | 129.2 | 156.2 | -54.7 | 174.8 | -1.2 | 0 | 0 | 119.8 | ||||
| 165 | I | 32 | Very low | 29.2 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | -176.3 | 151.1 | 127.1 | -97.4 | 150.7 | 0 | 0 | 0 | 107.6 | |||||
| 166 | K | 27 | Very low | 29.4 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | cis | 165.1 | 129 | -28.8 | -173 | 179.3 | -174.3 | -178.9 | 0 | 104.7 | ||||
| 167 | S | 27.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 63.8 | 141.1 | 162.7 | 50.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 168 | G | 30.4 | Very low | 29.5 | Very low | 65 Ų | 65 | 144.2 Ų | 144.2 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 135 | 87.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 169 | F | 29.4 | Very low | 29.7 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 58.4 | 136.4 | 81.3 | -75.4 | -78.7 | 0 | 0 | 0 | 114.2 | |||||
| 170 | F | 31.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | cis | -145.3 | 155.9 | 19.2 | -130.9 | -71.9 | 0 | 0 | 0 | 113.3 | ||||
| 171 | D | 28.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -90 | 147.6 | 171.2 | -83.3 | -63.9 | 0 | 0 | 0 | 114 | ||||
| 172 | A | 33.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 179.6 | 137.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 173 | G | 28.3 | Very low | 30.1 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | 117.3 | 72.7 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 174 | L | 32 | Very low | 30.3 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -134.1 | 128.6 | 162.4 | -89.2 | 178.8 | 0 | 0 | 0 | 111.6 | ||||
| 175 | N | 26.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -135.1 | 126.6 | 179.1 | -158 | -0.2 | 0 | 0 | 0 | 106.2 | ||||
| 176 | L | 31.6 | Very low | 30.4 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 126.8 | 173.4 | -95.9 | 174.7 | 0 | 0 | 0 | 110.4 | ||||
| 177 | T | 29.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -98.7 | 159.4 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 178 | T | 31.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | 177.2 | 142.3 | 118.9 | 26.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 179 | N | 32.9 | Very low | 30.9 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 59.8 | 144.7 | 149.8 | -50.7 | -18.1 | 0 | 0 | 0 | 120.5 | ||||
| 180 | G | 28.1 | Very low | 30.8 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 149.6 | 104.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 181 | Y | 33.4 | Very low | 30.7 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | trans | -146.9 | 122.9 | 155.3 | -84.7 | -85.7 | 0 | 0 | 0 | 105.5 | ||||
| 182 | Q | 32.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | 65.7 | 131.4 | 58.6 | -62.2 | -159.6 | -1.2 | 0 | 0 | 112.8 | |||||
| 183 | Q | 31.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | cis | -163.9 | 159.2 | 4.1 | -125.7 | -174.8 | 74.5 | 0 | 0 | 112 | ||||
| 184 | Q | 32.4 | Very low | 30.8 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 64.1 | 151.9 | 162.5 | -55.7 | 167.7 | 33 | 0 | 0 | 117.6 | ||||
| 185 | G | 31.7 | Very low | 30.8 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | -173.8 | 123.6 | -12.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 186 | L | 28.9 | Very low | 31 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | 72.7 | 117.4 | 84.8 | -85.3 | 168.4 | 0 | 0 | 0 | 117.6 | |||||
| 187 | N | 28 | Very low | 31 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 72.3 | 117.8 | 150.6 | -59.3 | -23.5 | 0 | 0 | 0 | 122.4 | ||||
| 188 | K | 34.5 | Very low | 30.9 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | -167.7 | 149.6 | 105.9 | -111.4 | 178.8 | 178.2 | 179.7 | 0 | 114.9 | |||||
| 189 | S | 31.7 | Very low | 30.9 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 33.9 | 130.4 | 157.1 | -61 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 190 | I | 27.5 | Very low | 30.9 | Very low | 166 Ų | 166 | 145 Ų | 145 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | 75.2 | 133.9 | 18.7 | -47.5 | 179.2 | 0 | 0 | 0 | 115.7 | ||||
| 191 | A | 29.7 | Very low | 31.1 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | 70.9 | 141.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 192 | E | 31.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | cis | -134.9 | 162.4 | 17.9 | -71.9 | 171.7 | -178.7 | 0 | 0 | 110.1 | ||||
| 193 | S | 32.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -153 | 153.7 | 0.9 | -118.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | N | 27 | Very low | 31.5 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -145.8 | 112 | 175.8 | -129.3 | -11.3 | 0 | 0 | 0 | 110.5 | ||||
| 195 | S | 33.5 | Very low | 31.7 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -166.5 | 125.5 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 196 | Y | 30.6 | Very low | 31.6 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -156 | 168 | 41.9 | -81.3 | -92 | 0 | 0 | 0 | 108.1 | ||||
| 197 | L | 31.7 | Very low | 31.9 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | cis | -133.1 | 164.3 | 5 | -94.6 | 111.4 | 0 | 0 | 0 | 110.4 | ||||
| 198 | Q | 28.1 | Very low | 32 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -107.5 | 179 | 161.7 | -74.3 | -171.7 | -18.7 | 0 | 0 | 111.1 | ||||
| 199 | Q | 30.6 | Very low | 32 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 84 | 99.9 | 158.1 | -53.1 | -178.5 | 6.5 | 0 | 0 | 116.8 | ||||
| 200 | N | 33.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | -157 | 130.9 | 99.3 | -89.7 | -50.6 | 0 | 0 | 0 | 111.8 | |||||
| 201 | N | 32.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 14.9 | 136.6 | 135.6 | -34 | -35.3 | 0 | 0 | 0 | 118.1 | ||||
| 202 | G | 32.9 | Very low | 32 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 172.2 | -172.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 203 | D | 36.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | 60.8 | 98.8 | 156.5 | -52.6 | -15.6 | 0 | 0 | 0 | 121.4 | ||||
| 204 | D | 35 | Very low | 31.8 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | 68.7 | 161.7 | 125.8 | -95.5 | 8.6 | 0 | 0 | 0 | 122.4 | |||||
| 205 | P | 36.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -136.4 | -173.8 | -143.2 | 39.3 | -18.6 | 0 | 0 | 0 | 116.8 | ||||
| 206 | N | 31 | Very low | 31.4 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 91 | 151.1 | 142.5 | -138.8 | -18.1 | 0 | 0 | 0 | 118.6 | ||||
| 207 | K | 33.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 140 Ų | 140 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 78 | 118.1 | 157.4 | -71.3 | 172.7 | -176.1 | 171.8 | 0 | 122.7 | ||||
| 208 | N | 30 | Very low | 31 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 100.2 | 152.6 | 130.1 | -64.2 | -8.4 | 0 | 0 | 0 | 121.3 | ||||
| 209 | A | 34.6 | Very low | 30.9 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 66.3 | 109.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 210 | K | 29.9 | Very low | 30.7 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | cis | 92.9 | 133.7 | 22.8 | -159.6 | -150.1 | 172.7 | -163.4 | 0 | 113.7 | ||||
| 211 | C | 27.7 | Very low | 30.6 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 55% | 0.547 | 78% | 0.778 | S | S | . | * | trans | 73.8 | 140.4 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 212 | E | 30.9 | Very low | 30.3 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | cis | -154.4 | -162.7 | -5.8 | -129.2 | 138 | -133.6 | 0 | 0 | 110.9 | ||||
| 213 | S | 29.5 | Very low | 30.5 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -35.8 | 160.1 | 178 | 34.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 214 | E | 31.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -160.4 | 175 | 14.1 | -131.4 | 146.3 | -121.7 | 0 | 0 | 115.1 | ||||
| 215 | T | 27.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 20.2 | 122.9 | 158.9 | 38.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 216 | L | 25.3 | Very low | 29.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 35.1 | 115.1 | 128.8 | -62.1 | 171.2 | 0 | 0 | 0 | 120.6 | |||||
| 217 | T | 27.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | -171.2 | 157.9 | 118.3 | 16.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 218 | A | 26.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -98 | 141.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 219 | S | 26 | Very low | 29.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -161.3 | 155 | 157.6 | -161.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 220 | L | 25.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -76.5 | 147.3 | 172.4 | -70.9 | 82 | 0 | 0 | 0 | 110.5 | Y222 | L220-Y222 HydrophobicContact CB-CD2 4.42Å; L220-Y222 HydrophobicContact CD2-CE2 4.47Å; L220-Y222 PolarHBondContact O-N 3.26Å | ||
| 221 | K | 30.2 | Very low | 29.1 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -88.8 | 91.9 | 166.2 | -96.7 | -176.2 | 173.8 | 176.9 | 0 | 111.7 | ||||
| 222 | Y | 27.5 | Very low | 29.1 | Very low | 187 Ų | 187 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -85.4 | 152.3 | 149.3 | -75.1 | -88.8 | 0 | 0 | 0 | 110 | L220 | L220-Y222 HydrophobicContact CB-CD2 4.42Å; L220-Y222 HydrophobicContact CD2-CE2 4.47Å; L220-Y222 PolarHBondContact O-N 3.26Å | ||
| 223 | P | 36.3 | Very low | 29.2 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | -88 | 125.1 | 128.1 | 33.5 | -25.9 | 0 | 0 | 0 | 107.8 | |||||
| 224 | L | 28.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 54.2 | 121.8 | 65.7 | -56.3 | 173.7 | 0 | 0 | 0 | 110.6 | |||||
| 225 | C | 29.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | cis | -130.1 | 178.3 | 35.9 | -69.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 226 | V | 30.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -146.8 | 166.4 | -166.8 | 162 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 227 | P | 31.8 | Very low | 29.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | cis | -130 | -177 | -3.8 | 29.2 | -6.3 | 0 | 0 | 0 | 116.2 | ||||
| 228 | H | 26.7 | Very low | 29.6 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | 120.8 | 135.9 | 122.1 | -136.5 | -105.6 | 0 | 0 | 0 | 117.9 | |||||
| 229 | P | 31.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -115 | -177.8 | -167.6 | 43.8 | -34.2 | 0 | 0 | 0 | 114.7 | ||||
| 230 | S | 29.7 | Very low | 29.7 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -149.2 | 135.5 | 160.7 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 231 | E | 30.5 | Very low | 29.9 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | 60.9 | 82.7 | 143.5 | -68.2 | 159.5 | -152.4 | 0 | 0 | 121.1 | ||||
| 232 | L | 27.3 | Very low | 29.8 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | -11.5 | 169.7 | 111 | -76.6 | 174.5 | 0 | 0 | 0 | 118.4 | |||||
| 233 | P | 33.1 | Very low | 29.9 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | cis | -143.5 | -151.4 | -8.6 | 29.2 | -1.9 | 0 | 0 | 0 | 114.4 | ||||
| 234 | I | 30.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | 81.3 | 105 | 154.4 | -69.4 | 162.4 | 0 | 0 | 0 | 115.6 | ||||
| 235 | E | 29.1 | Very low | 29.5 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | 74.1 | 151.7 | 79.8 | -74.9 | -174 | -161 | 0 | 0 | 114.1 | |||||
| 236 | H | 30.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 150 Ų | 150 | 61% | 0.611 | 76% | 0.758 | S | S | * | * | cis | -148.4 | 140.8 | 4.2 | -133.3 | -165.2 | 0 | 0 | 0 | 107.2 | ||||
| 237 | F | 30.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 150 Ų | 150 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | 61.6 | 120.5 | 73.7 | -132.1 | -73.4 | 0 | 0 | 0 | 114.8 | |||||
| 238 | N | 30.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | 162.6 | 128.8 | 122.4 | -92.3 | -69.6 | 0 | 0 | 0 | 114.8 | |||||
| 239 | S | 27.8 | Very low | 29.4 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 175.3 | 108.1 | 110.6 | -77.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 240 | F | 26.4 | Very low | 29.5 | Very low | 212 Ų | 212 | 152.4 Ų | 152.4 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | 175 | 97 | 118.2 | -112.7 | -83.9 | 0 | 0 | 0 | 111.6 | |||||
| 241 | K | 29.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -160.6 | 115.5 | 158.7 | -167 | 180 | -177.5 | -176.4 | 0 | 112.7 | ||||
| 242 | R | 28.7 | Very low | 29.2 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -178.4 | 156.6 | 149.6 | -102.9 | 170.5 | -176.8 | -170.6 | 0.6 | 106.6 | ||||
| 243 | F | 30 | Very low | 29.4 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | cis | -110.9 | 169.8 | 20.8 | -90.3 | -101.7 | 0 | 0 | 0 | 115.4 | ||||
| 244 | T | 29.7 | Very low | 29 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 54% | 0.54 | 77% | 0.769 | S | S | . | * | trans | -122.9 | 145.4 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 245 | E | 26.7 | Very low | 29.1 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 29 | 120.1 | 142 | -61.7 | 165.7 | 157.6 | 0 | 0 | 119.5 | ||||
| 246 | M | 29.7 | Very low | 29 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 96% | 0.956 | 78% | 0.779 | S | S | * | * | trans | -134.1 | 126 | 140.9 | -85.1 | -167 | 165.1 | 0 | 0 | 110 | ||||
| 247 | T | 26.2 | Very low | 28.9 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 139.8 | 178.7 | -46.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 248 | I | 31.8 | Very low | 28.7 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -166.7 | 159 | 149.9 | -101.9 | 148.3 | 0 | 0 | 0 | 109.6 | ||||
| 249 | N | 27.7 | Very low | 28.6 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -80.2 | 160.9 | -162.1 | -68 | -47.7 | 0 | 0 | 0 | 115.7 | ||||
| 250 | P | 34.5 | Very low | 28.8 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -98 | 146 | -177.6 | 37 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 251 | T | 26.5 | Very low | 29 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -160.7 | 129.7 | 156.5 | 15.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 252 | E | 28 | Very low | 29 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 163.1 | 134.4 | -71.4 | 175.4 | -173 | 0 | 0 | 124.7 | ||||
| 253 | S | 30.3 | Very low | 29 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 76.5 | 81.2 | 160 | 69.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 254 | N | 26 | Very low | 28.7 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -18.3 | 135.2 | 139.8 | -56.7 | -32.9 | 0 | 0 | 0 | 116.6 | ||||
| 255 | Q | 31.4 | Very low | 28.7 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | -153.5 | 135.3 | 126.5 | -118.5 | 145 | 105.5 | 0 | 0 | 112.2 | |||||
| 256 | S | 26.9 | Very low | 28.8 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -93.2 | 162.6 | 173.8 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 257 | L | 28.4 | Very low | 28.7 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 172.2 | 92.7 | 147.8 | -91.4 | 157.7 | 0 | 0 | 0 | 107.5 | ||||
| 258 | T | 27.2 | Very low | 29 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | 86.8 | 109.3 | 91 | 52.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 259 | A | 28.3 | Very low | 28.9 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | 95.8 | 158.8 | 120.5 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 260 | H | 31.3 | Very low | 29 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | 80.8 | 89 | 166.7 | -55.5 | -66.6 | 0 | 0 | 0 | 119.8 | ||||
| 261 | L | 29.7 | Very low | 29 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -69.1 | 155.6 | 143.7 | -96.3 | 76.4 | 0 | 0 | 0 | 110.9 | ||||
| 262 | P | 30.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -134.7 | 101.4 | 139.9 | 32.8 | -17.3 | 0 | 0 | 0 | 114 | ||||
| 263 | T | 27 | Very low | 29.1 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 26.7 | 131.7 | 125.3 | -48.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 264 | S | 25.3 | Very low | 29.1 | Very low | 77 Ų | 77 | 150.1 Ų | 150.1 | 54% | 0.538 | 80% | 0.796 | S | S | . | * | trans | 74.9 | 129.6 | 150.9 | 171.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 265 | Y | 29.9 | Very low | 29.1 | Very low | 224 Ų | 224 | 148.8 Ų | 148.8 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | -161 | 152.1 | 104.2 | -87.9 | -59.5 | 0 | 0 | 0 | 114 | |||||
| 266 | R | 27.7 | Very low | 29 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 156.2 | -164.6 | -65 | 168.7 | 167.5 | 173.5 | -5.7 | 116.3 | ||||
| 267 | L | 28.8 | Very low | 29 | Very low | 169 Ų | 169 | 150 Ų | 150 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -78 | 150.3 | 156.2 | -81 | 122.6 | 0 | 0 | 0 | 113.5 | ||||
| 268 | P | 32.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | -117.1 | 167.8 | 128.8 | 37.1 | -29.5 | 0 | 0 | 0 | 110.4 | |||||
| 269 | G | 30.3 | Very low | 29 | Very low | 70 Ų | 70 | 150.4 Ų | 150.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | 168.1 | 131.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 270 | Y | 28.6 | Very low | 29.1 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 155.5 | -175.2 | -76.1 | -92.8 | 0 | 0 | 0 | 114.3 | ||||
| 271 | P | 34.3 | Very low | 29 | Very low | 112 Ų | 112 | 152 Ų | 152 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -137.6 | 132.6 | 110.7 | 25.7 | -7.6 | 0 | 0 | 0 | 113.2 | |||||
| 272 | I | 29.8 | Very low | 29.1 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | 84.6 | 133.4 | 77.8 | -67.7 | 164.5 | 0 | 0 | 0 | 114.5 | |||||
| 273 | H | 26.6 | Very low | 29.1 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 157.6 | 179.2 | -81 | -109.7 | 0 | 0 | 0 | 115.1 | ||||
| 274 | Q | 31.5 | Very low | 29.1 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -146.3 | 160.4 | 138.8 | -114.4 | 170.9 | 30.3 | 0 | 0 | 112.4 | ||||
| 275 | T | 26.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 155 Ų | 155 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -138.7 | 123.9 | -172.8 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 276 | R | 28.4 | Very low | 29.3 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -171.7 | 130.5 | 149.7 | -101.1 | -164 | 145.4 | 113.4 | -5.4 | 106.9 | ||||
| 277 | T | 27.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | 58.6 | 142.9 | 82.3 | 76.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 278 | D | 26 | Very low | 29.6 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | 83.4 | 130.7 | 157.8 | -47.3 | -49.4 | 0 | 0 | 0 | 119.2 | ||||
| 279 | L | 29 | Very low | 29.5 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 82.5 | 120.6 | 150.1 | -65.6 | 159.9 | 0 | 0 | 0 | 121.8 | ||||
| 280 | L | 31 | Very low | 29.6 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 110 | 137.7 | -63.4 | 169.1 | 0 | 0 | 0 | 120.7 | ||||
| 281 | N | 28.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 131.7 | 154.1 | -171.4 | 23.9 | 0 | 0 | 0 | 110.7 | ||||
| 282 | P | 32.6 | Very low | 30 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 57% | 0.565 | 76% | 0.756 | S | S | * | * | -137.5 | 159.1 | 122.8 | 40.1 | -29.8 | 0 | 0 | 0 | 111.6 | |||||
| 283 | Y | 31.5 | Very low | 30.2 | Very low | 212 Ų | 212 | 144.8 Ų | 144.8 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | cis | -132.1 | 141 | 25.1 | -86.1 | -95.1 | 0 | 0 | 0 | 114.1 | ||||
| 284 | T | 26.4 | Very low | 30.4 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | trans | -93.3 | 136.5 | 158.5 | 53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 285 | N | 32.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -166.8 | 104.3 | 141.1 | -90.5 | -31.9 | 0 | 0 | 0 | 107.2 | ||||
| 286 | N | 28.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | 60.3 | 95.8 | 75.9 | -69.9 | -23 | 0 | 0 | 0 | 113.8 | |||||
| 287 | F | 32.3 | Very low | 32.3 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 91% | 0.908 | 73% | 0.73 | S | S | * | * | -166.8 | 93.4 | 128.6 | -91.9 | -67.8 | 0 | 0 | 0 | 106.8 | |||||
| 288 | N | 30.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | 64.4 | 111 | 82.9 | -82.9 | -26.5 | 0 | 0 | 0 | 115.7 | |||||
| 289 | L | 29.8 | Very low | 34 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | 66.2 | 146.9 | 155.7 | -84.9 | 55.7 | 0 | 0 | 0 | 117 | ||||
| 290 | S | 32.6 | Very low | 35 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | cis | -145.3 | 150.2 | 10.4 | 43.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 291 | N | 33.2 | Very low | 36 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -53.6 | 175.5 | 166.4 | -97.7 | -12.7 | 0 | 0 | 0 | 115.1 | ||||
| 292 | P | 38.1 | Very low | 37.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | cis | -140.3 | 179.9 | -25.2 | 37.2 | -19.1 | 0 | 0 | 0 | 113.9 | ||||
| 293 | T | 33 | Very low | 38.6 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | -179.3 | 140.6 | 113.3 | 28.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 294 | S | 32.1 | Very low | 39.8 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 1.8 | 109.8 | 163.1 | 52.2 | 0 | 0 | 0 | 0 | 119.6 | ||
| 295 | N | 37.5 | Very low | 41.3 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 178.1 | -20.2 | 137.4 | -94.5 | -28.2 | 0 | 0 | 0 | 112.8 | ||
| 296 | H | 42.6 | Very low | 42.6 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.6 | -10.7 | -172.9 | -89.5 | -83.8 | 0 | 0 | 0 | 116.8 | ||
| 297 | T | 45.5 | Very low | 43.7 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.7 | -58.5 | 178.2 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | F299 N300 D301 | T297-F299 PolarHBondContact O-N 3.31Å; T297-N300 CarbonylContact O-C 3.55Å; T297-N300 WeakPolarHBondContact O-CA 3.42Å; T297-N300 WeakPolarHBondContact O-CB 3.46Å; T297-N300 PolarHBondContact O-N 2.84Å; T297-D301 PolarHBondContact O-N 3.47Å; T297-D301 VanDerWaalsContact O-OD2 3.09Å |
| 298 | L | 43.6 | Very low | 44.9 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.9 | -34 | -172.9 | -128.2 | 167.2 | 0 | 0 | 0 | 113.6 | D301 I302 | L298-D301 PolarHBondContact N-OD2 3.25Å; L298-I302 HydrophobicContact CD2-CD1 3.67Å; L298-I302 HydrophobicContact CD2-CG1 4.2Å; L298-I302 WeakPolarHBondContact O-CB 3.47Å; L298-I302 WeakPolarHBondContact O-CD1 3.41Å; L298-I302 VanDerWaalsContact O-CG1 3.26Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.08Å |
| 299 | F | 45.1 | Very low | 45.5 | Very low | 157 Ų | 157 | 113.2 Ų | 113.2 | 69% | 0.689 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -34.7 | 177 | -142.9 | -80.3 | 0 | 0 | 0 | 112.8 | T297 S303 | T297-F299 PolarHBondContact O-N 3.31Å; F299-S303 VanDerWaalsContact O-CB 3.3Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.27Å; F299-S303 PolarHBondContact O-OG 3.34Å |
| 300 | N | 49.1 | Very low | 46.4 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -39.1 | 172.2 | -72.5 | -10.4 | 0 | 0 | 0 | 111.2 | T297 S303 S304 | T297-N300 CarbonylContact O-C 3.55Å; T297-N300 WeakPolarHBondContact O-CA 3.42Å; T297-N300 WeakPolarHBondContact O-CB 3.46Å; T297-N300 PolarHBondContact O-N 2.84Å; N300-S303 PolarHBondContact O-N 3.36Å; N300-S304 PolarHBondContact O-N 2.74Å |
| 301 | D | 51.5 | Low | 47.4 | Very low | 98 Ų | 98 | 111.2 Ų | 111.2 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -46.6 | 178 | -57.9 | -36.1 | 0 | 0 | 0 | 110.8 | T297 L298 S303 S304 F305 | T297-D301 PolarHBondContact O-N 3.47Å; T297-D301 VanDerWaalsContact O-OD2 3.09Å; L298-D301 PolarHBondContact N-OD2 3.25Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 PolarHBondContact O-N 3.1Å; D301-S304 PolarHBondContact O-N 3.3Å; D301-F305 WeakPolarHBondContact O-CB 3.4Å; D301-F305 PolarHBondContact O-N 3.43Å |
| 302 | I | 59.7 | Low | 48.2 | Very low | 89 Ų | 89 | 110 Ų | 110 | 46% | 0.456 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.6 | -39.3 | 172.6 | -71 | 166.2 | 0 | 0 | 0 | 111.1 | L298 F305 I306 | L298-I302 HydrophobicContact CD2-CD1 3.67Å; L298-I302 HydrophobicContact CD2-CG1 4.2Å; L298-I302 WeakPolarHBondContact O-CB 3.47Å; L298-I302 WeakPolarHBondContact O-CD1 3.41Å; L298-I302 VanDerWaalsContact O-CG1 3.26Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.08Å; I302-F305 PolarHBondContact O-N 2.96Å; I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.5Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.45Å |
| 303 | S | 56.4 | Low | 48.5 | Very low | 45 Ų | 45 | 109.3 Ų | 109.3 | 32% | 0.315 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -43.8 | 178.4 | -62 | 0 | 0 | 0 | 0 | 112 | F299 N300 D301 I306 Y307 | F299-S303 VanDerWaalsContact O-CB 3.3Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.27Å; F299-S303 PolarHBondContact O-OG 3.34Å; N300-S303 PolarHBondContact O-N 3.36Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 PolarHBondContact O-N 3.1Å; S303-I306 PolarHBondContact O-N 3.48Å; S303-Y307 WeakPolarHBondContact O-CD2 3.45Å; S303-Y307 PolarHBondContact O-N 2.8Å |
| 304 | S | 56.7 | Low | 49.1 | Very low | 62 Ų | 62 | 106.5 Ų | 106.5 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.8 | -52.8 | 172.4 | -162.4 | 0 | 0 | 0 | 0 | 109.9 | N300 D301 I306 Y307 D308 | N300-S304 PolarHBondContact O-N 2.74Å; D301-S304 PolarHBondContact O-N 3.3Å; S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 VanDerWaalsContact O-N 3.11Å; S304-Y307 CarbonylContact O-C 3.55Å; S304-Y307 WeakPolarHBondContact O-CA 3.45Å; S304-Y307 PolarHBondContact O-N 2.8Å; S304-D308 VanDerWaalsContact C-OD2 3.24Å; S304-D308 WeakPolarHBondContact O-CB 3.48Å; S304-D308 VanDerWaalsContact O-CG 3.27Å; S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 PolarHBondContact OG-OD2 2.91Å |
| 305 | F | 58.1 | Low | 50.1 | Low | 147 Ų | 147 | 104.6 Ų | 104.6 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.3 | -33.3 | -178.1 | -160.2 | -98.5 | 0 | 0 | 0 | 112.9 | D301 I302 N309 | D301-F305 WeakPolarHBondContact O-CB 3.4Å; D301-F305 PolarHBondContact O-N 3.43Å; I302-F305 PolarHBondContact O-N 2.96Å; F305-N309 WeakPolarHBondContact CD1-ND2 3.4Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.41Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.49Å; F305-N309 PolarHBondContact O-N 3.43Å; F305-N309 VanDerWaalsContact O-N 3.08Å; F305-N309 PolarHBondContact O-ND2 2.97Å |
| 306 | I | 60.2 | Low | 50.8 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71 | -45 | 172.4 | -69.7 | 168 | 0 | 0 | 0 | 111.6 | I302 S303 S304 N309 Q310 | I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.5Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.45Å; S303-I306 PolarHBondContact O-N 3.48Å; S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 VanDerWaalsContact O-N 3.11Å; I306-N309 PolarHBondContact O-N 3.38Å; I306-Q310 WeakPolarHBondContact O-CG 3.31Å; I306-Q310 PolarHBondContact O-N 3.43Å |
| 307 | Y | 51.3 | Low | 51 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 176.7 | -93.9 | -75.7 | 0 | 0 | 0 | 112.3 | S303 S304 N309 Q310 L311 | S303-Y307 WeakPolarHBondContact O-CD2 3.45Å; S303-Y307 PolarHBondContact O-N 2.8Å; S304-Y307 CarbonylContact O-C 3.55Å; S304-Y307 WeakPolarHBondContact O-CA 3.45Å; S304-Y307 PolarHBondContact O-N 2.8Å; Y307-N309 PolarHBondContact O-N 3.3Å; Y307-Q310 PolarHBondContact O-N 3.29Å; Y307-Q310 VanDerWaalsContact O-N 3.13Å; Y307-L311 PolarHBondContact O-N 2.95Å |
| 308 | D | 57.1 | Low | 51.3 | Low | 82 Ų | 82 | 101.9 Ų | 101.9 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.8 | -67.1 | -47.3 | 0 | 0 | 0 | 110.8 | S304 Q310 L311 H312 | S304-D308 VanDerWaalsContact C-OD2 3.24Å; S304-D308 WeakPolarHBondContact O-CB 3.48Å; S304-D308 VanDerWaalsContact O-CG 3.27Å; S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 PolarHBondContact OG-OD2 2.91Å; D308-Q310 PolarHBondContact O-N 2.91Å; D308-L311 PolarHBondContact O-N 3.44Å; D308-H312 WeakPolarHBondContact O-CB 3.42Å; D308-H312 PolarHBondContact O-N 3.37Å |
| 309 | N | 43.1 | Very low | 52.3 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -33.6 | 173.5 | -86.3 | -86.1 | 0 | 0 | 0 | 113 | F305 I306 Y307 N313 | F305-N309 WeakPolarHBondContact CD1-ND2 3.4Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.41Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.49Å; F305-N309 PolarHBondContact O-N 3.43Å; F305-N309 VanDerWaalsContact O-N 3.08Å; F305-N309 PolarHBondContact O-ND2 2.97Å; I306-N309 PolarHBondContact O-N 3.38Å; Y307-N309 PolarHBondContact O-N 3.3Å; N309-N313 VanDerWaalsContact O-CB 3.28Å; N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.04Å; N309-N313 PolarHBondContact O-ND2 2.93Å |
| 310 | Q | 48.4 | Very low | 53.1 | Low | 122 Ų | 122 | 97.2 Ų | 97.2 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70 | -38.6 | 174 | -74.1 | -177.4 | 29.7 | 0 | 0 | 112.1 | I306 Y307 D308 S314 | I306-Q310 WeakPolarHBondContact O-CG 3.31Å; I306-Q310 PolarHBondContact O-N 3.43Å; Y307-Q310 PolarHBondContact O-N 3.29Å; Y307-Q310 VanDerWaalsContact O-N 3.13Å; D308-Q310 PolarHBondContact O-N 2.91Å; Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 3.01Å; Q310-S314 PolarHBondContact O-OG 3.31Å |
| 311 | L | 52.3 | Low | 53.8 | Low | 113 Ų | 113 | 95.2 Ų | 95.2 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 170.9 | -85 | 158.9 | 0 | 0 | 0 | 111.5 | Y307 D308 N313 S314 S315 | Y307-L311 PolarHBondContact O-N 2.95Å; D308-L311 PolarHBondContact O-N 3.44Å; L311-N313 PolarHBondContact O-N 3.44Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.38Å; L311-S314 PolarHBondContact O-OG 3.18Å; L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.42Å |
| 312 | H | 50 | Low | 54.6 | Low | 128 Ų | 128 | 95.7 Ų | 95.7 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | -178.9 | -133.8 | -37.9 | 0 | 0 | 0 | 112.7 | D308 L316 | D308-H312 WeakPolarHBondContact O-CB 3.42Å; D308-H312 PolarHBondContact O-N 3.37Å; H312-L316 WeakPolarHBondContact O-CB 3.31Å; H312-L316 WeakPolarHBondContact O-CG 3.28Å; H312-L316 PolarHBondContact O-N 2.92Å |
| 313 | N | 44.8 | Very low | 55.1 | Low | 84 Ų | 84 | 97 Ų | 97 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.9 | -38.9 | 174.9 | -82.3 | -75.8 | 0 | 0 | 0 | 112.7 | N309 L311 L316 N317 | N309-N313 VanDerWaalsContact O-CB 3.28Å; N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.04Å; N309-N313 PolarHBondContact O-ND2 2.93Å; L311-N313 PolarHBondContact O-N 3.44Å; N313-L316 PolarHBondContact O-N 3.3Å; N313-N317 WeakPolarHBondContact O-CB 3.26Å; N313-N317 PolarHBondContact O-N 3.45Å; N313-N317 PolarHBondContact O-ND2 3.43Å |
| 314 | S | 46.9 | Very low | 55.9 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | Q310 L311 H318 | Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 3.01Å; Q310-S314 PolarHBondContact O-OG 3.31Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.38Å; L311-S314 PolarHBondContact O-OG 3.18Å; S314-H318 PolarHBondContact O-N 3.19Å; S314-H318 VanDerWaalsContact O-N 3.1Å |
| 315 | S | 52.5 | Low | 56.8 | Low | 61 Ų | 61 | 101.7 Ų | 101.7 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.2 | -57.4 | 169.1 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L311 N317 H318 T319 | L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.42Å; S315-N317 VanDerWaalsContact C-N 3.34Å; S315-N317 PolarHBondContact O-N 3.07Å; S315-H318 WeakPolarHBondContact O-CA 3.36Å; S315-H318 WeakPolarHBondContact O-CB 3.4Å; S315-H318 PolarHBondContact O-N 3.43Å; S315-T319 PolarHBondContact O-N 3.37Å; S315-T319 PolarHBondContact O-OG1 3.43Å |
| 316 | L | 51.1 | Low | 57.8 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | -178.9 | -80.6 | 163.7 | 0 | 0 | 0 | 113.3 | H312 N313 H318 T319 L320 | H312-L316 WeakPolarHBondContact O-CB 3.31Å; H312-L316 WeakPolarHBondContact O-CG 3.28Å; H312-L316 PolarHBondContact O-N 2.92Å; N313-L316 PolarHBondContact O-N 3.3Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 2.93Å; L316-T319 PolarHBondContact O-N 3.08Å; L316-L320 WeakPolarHBondContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.49Å |
| 317 | N | 47.4 | Very low | 58.7 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 175 | -79.8 | -67.1 | 0 | 0 | 0 | 112.2 | N313 S315 S321 | N313-N317 WeakPolarHBondContact O-CB 3.26Å; N313-N317 PolarHBondContact O-N 3.45Å; N313-N317 PolarHBondContact O-ND2 3.43Å; S315-N317 VanDerWaalsContact C-N 3.34Å; S315-N317 PolarHBondContact O-N 3.07Å; N317-S321 VanDerWaalsContact O-CB 3.31Å; N317-S321 WeakPolarHBondContact O-CB 3.44Å; N317-S321 PolarHBondContact O-N 3.47Å |
| 318 | H | 52.8 | Low | 59.9 | Low | 147 Ų | 147 | 96.8 Ų | 96.8 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.7 | -40.7 | 176.7 | -144 | -82.9 | 0 | 0 | 0 | 111.9 | S314 S315 L316 S321 Y322 | S314-H318 PolarHBondContact O-N 3.19Å; S314-H318 VanDerWaalsContact O-N 3.1Å; S315-H318 WeakPolarHBondContact O-CA 3.36Å; S315-H318 WeakPolarHBondContact O-CB 3.4Å; S315-H318 PolarHBondContact O-N 3.43Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 2.93Å; H318-S321 PolarHBondContact O-N 2.98Å; H318-Y322 WeakPolarHBondContact O-CB 3.32Å; H318-Y322 PolarHBondContact O-N 3.11Å |
| 319 | T | 63.6 | Low | 60.9 | Low | 70 Ų | 70 | 98 Ų | 98 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 175.5 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | S315 L316 Y322 Q323 | S315-T319 PolarHBondContact O-N 3.37Å; S315-T319 PolarHBondContact O-OG1 3.43Å; L316-T319 PolarHBondContact O-N 3.08Å; T319-Y322 PolarHBondContact O-N 3.37Å; T319-Q323 WeakPolarHBondContact O-CG 3.49Å; T319-Q323 PolarHBondContact O-N 2.94Å |
| 320 | L | 61.9 | Low | 62.7 | Low | 104 Ų | 104 | 100 Ų | 100 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.1 | -78 | 167.3 | 0 | 0 | 0 | 111.8 | L316 Y322 Q323 H324 | L316-L320 WeakPolarHBondContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.49Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.95Å; L320-Q323 PolarHBondContact O-N 3.13Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.35Å; L320-H324 PolarHBondContact O-N 2.8Å |
| 321 | S | 64.1 | Low | 64.1 | Low | 62 Ų | 62 | 98.4 Ų | 98.4 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 173.4 | -175 | 0 | 0 | 0 | 0 | 111.5 | N317 H318 H324 N325 | N317-S321 VanDerWaalsContact O-CB 3.31Å; N317-S321 WeakPolarHBondContact O-CB 3.44Å; N317-S321 PolarHBondContact O-N 3.47Å; H318-S321 PolarHBondContact O-N 2.98Å; S321-H324 PolarHBondContact O-N 2.92Å; S321-N325 PolarHBondContact O-N 3.46Å; S321-N325 PolarHBondContact O-ND2 3.49Å |
| 322 | Y | 68.5 | Low | 65.4 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 178.6 | -174.4 | -106.1 | 0 | 0 | 0 | 112.6 | F90 H318 T319 L320 H324 N325 L326 | F90-Y322 WeakPolarHBondContact CE2-OH 3.44Å; F90-Y322 AromaticContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE2 4.49Å; F90-Y322 AromaticContact CZ-CZ 3.62Å; F90-Y322 WeakPolarHBondContact CZ-OH 3.44Å; H318-Y322 WeakPolarHBondContact O-CB 3.32Å; H318-Y322 PolarHBondContact O-N 3.11Å; T319-Y322 PolarHBondContact O-N 3.37Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.95Å; Y322-H324 VanDerWaalsContact C-N 3.35Å; Y322-H324 PolarHBondContact O-N 3Å; Y322-N325 PolarHBondContact O-N 2.85Å; Y322-L326 HydrophobicContact CD1-CD1 3.87Å; Y322-L326 HydrophobicContact CE1-CD1 3.36Å; Y322-L326 HydrophobicContact CE1-CG 4.17Å; Y322-L326 PolarHBondContact O-N 3.45Å |
| 323 | Q | 69.8 | Low | 66.7 | Low | 118 Ų | 118 | 97 Ų | 97 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 174.8 | -74.9 | -176.8 | -20.7 | 0 | 0 | 112.4 | T319 L320 L326 Y327 | T319-Q323 WeakPolarHBondContact O-CG 3.49Å; T319-Q323 PolarHBondContact O-N 2.94Å; L320-Q323 PolarHBondContact O-N 3.13Å; Q323-L326 PolarHBondContact O-N 3.5Å; Q323-Y327 PolarHBondContact O-N 3.02Å |
| 324 | H | 73.6 | Confident | 68.2 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.5 | -178.5 | -98.8 | 0 | 0 | 0 | 112.4 | L320 S321 Y322 Y327 L328 | L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.35Å; L320-H324 PolarHBondContact O-N 2.8Å; S321-H324 PolarHBondContact O-N 2.92Å; Y322-H324 VanDerWaalsContact C-N 3.35Å; Y322-H324 PolarHBondContact O-N 3Å; H324-Y327 PolarHBondContact O-N 2.99Å; H324-L328 WeakPolarHBondContact O-CG 3.3Å; H324-L328 PolarHBondContact O-N 3.31Å |
| 325 | N | 75.3 | Confident | 69.5 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 174.3 | -78.3 | -69.8 | 0 | 0 | 0 | 112.3 | S321 Y322 L328 Q329 | S321-N325 PolarHBondContact O-N 3.46Å; S321-N325 PolarHBondContact O-ND2 3.49Å; Y322-N325 PolarHBondContact O-N 2.85Å; N325-L328 PolarHBondContact O-N 3.1Å; N325-Q329 WeakPolarHBondContact O-CB 3.45Å; N325-Q329 PolarHBondContact O-N 2.77Å |
| 326 | L | 79.8 | Confident | 70.6 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.414 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 172.5 | -88.1 | 170 | 0 | 0 | 0 | 112.3 | Y322 Q323 Q329 H330 | Y322-L326 HydrophobicContact CD1-CD1 3.87Å; Y322-L326 HydrophobicContact CE1-CD1 3.36Å; Y322-L326 HydrophobicContact CE1-CG 4.17Å; Y322-L326 PolarHBondContact O-N 3.45Å; Q323-L326 PolarHBondContact O-N 3.5Å; L326-Q329 PolarHBondContact O-N 3.39Å; L326-H330 PolarHBondContact O-N 2.93Å |
| 327 | Y | 77.6 | Confident | 71.6 | Confident | 149 Ų | 149 | 99 Ų | 99 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -47.4 | 175.9 | 177.7 | -91.9 | 0 | 0 | 0 | 111.6 | Q323 H324 Q329 H330 Q331 | Q323-Y327 PolarHBondContact O-N 3.02Å; H324-Y327 PolarHBondContact O-N 2.99Å; Y327-Q329 VanDerWaalsContact C-N 3.33Å; Y327-Q329 PolarHBondContact O-N 2.95Å; Y327-H330 PolarHBondContact O-N 3.46Å; Y327-Q331 WeakPolarHBondContact O-CB 3.41Å; Y327-Q331 PolarHBondContact O-N 2.9Å |
| 328 | L | 77.5 | Confident | 72.6 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 175.6 | -73.6 | 172.9 | 0 | 0 | 0 | 112.5 | H324 N325 Q331 L332 | H324-L328 WeakPolarHBondContact O-CG 3.3Å; H324-L328 PolarHBondContact O-N 3.31Å; N325-L328 PolarHBondContact O-N 3.1Å; L328-Q331 PolarHBondContact O-N 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.43Å |
| 329 | Q | 78.6 | Confident | 73.3 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.1 | -173.7 | 176.3 | 8.3 | 0 | 0 | 111.7 | N325 L326 Y327 L332 Q333 | N325-Q329 WeakPolarHBondContact O-CB 3.45Å; N325-Q329 PolarHBondContact O-N 2.77Å; L326-Q329 PolarHBondContact O-N 3.39Å; Y327-Q329 VanDerWaalsContact C-N 3.33Å; Y327-Q329 PolarHBondContact O-N 2.95Å; Q329-L332 PolarHBondContact O-N 3.43Å; Q329-Q333 WeakPolarHBondContact O-CG 3.39Å; Q329-Q333 PolarHBondContact O-N 2.85Å |
| 330 | H | 80.4 | Confident | 73.4 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.2 | -159.3 | 160.3 | 0 | 0 | 0 | 111 | L326 Y327 L332 Q333 Q334 | L326-H330 PolarHBondContact O-N 2.93Å; Y327-H330 PolarHBondContact O-N 3.46Å; H330-L332 PolarHBondContact O-N 2.99Å; H330-Q333 WeakPolarHBondContact O-CB 3.47Å; H330-Q333 PolarHBondContact O-N 3.18Å; H330-Q334 PolarHBondContact CD2-NE2 2.93Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.34Å; H330-Q334 PolarHBondContact NE2-NE2 2.98Å; H330-Q334 WeakPolarHBondContact O-CG 3.15Å; H330-Q334 PolarHBondContact O-N 2.8Å |
| 331 | Q | 78.7 | Confident | 73.2 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.7 | -165.5 | 171.1 | 22.8 | 0 | 0 | 112.2 | Y327 L328 Q334 E335 | Y327-Q331 WeakPolarHBondContact O-CB 3.41Å; Y327-Q331 PolarHBondContact O-N 2.9Å; L328-Q331 PolarHBondContact O-N 3.24Å; Q331-Q334 PolarHBondContact O-N 2.69Å; Q331-E335 PolarHBondContact O-N 2.94Å |
| 332 | L | 78.5 | Confident | 72.9 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 173.2 | -73.2 | 167.7 | 0 | 0 | 0 | 112.7 | L328 Q329 H330 Q334 E335 N336 | L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.43Å; Q329-L332 PolarHBondContact O-N 3.43Å; H330-L332 PolarHBondContact O-N 2.99Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-E335 PolarHBondContact O-N 3.27Å; L332-N336 WeakPolarHBondContact O-CB 3.47Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.03Å; L332-N336 PolarHBondContact O-ND2 2.83Å |
| 333 | Q | 77.1 | Confident | 72.3 | Confident | 113 Ų | 113 | 101.9 Ų | 101.9 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 173.6 | -75.2 | 174.1 | -18.7 | 0 | 0 | 111.8 | Q329 H330 N336 A337 | Q329-Q333 WeakPolarHBondContact O-CG 3.39Å; Q329-Q333 PolarHBondContact O-N 2.85Å; H330-Q333 WeakPolarHBondContact O-CB 3.47Å; H330-Q333 PolarHBondContact O-N 3.18Å; Q333-N336 PolarHBondContact O-N 3.04Å; Q333-A337 WeakPolarHBondContact O-CB 3.25Å; Q333-A337 PolarHBondContact O-N 2.99Å |
| 334 | Q | 76.2 | Confident | 71.5 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 176.1 | -68.2 | 176.4 | 13.1 | 0 | 0 | 112.5 | H330 Q331 L332 S338 | H330-Q334 PolarHBondContact CD2-NE2 2.93Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.34Å; H330-Q334 PolarHBondContact NE2-NE2 2.98Å; H330-Q334 WeakPolarHBondContact O-CG 3.15Å; H330-Q334 PolarHBondContact O-N 2.8Å; Q331-Q334 PolarHBondContact O-N 2.69Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; Q334-S338 WeakPolarHBondContact O-CB 3.46Å; Q334-S338 PolarHBondContact O-N 2.75Å; Q334-S338 VanDerWaalsContact O-N 3.1Å; Q334-S338 PolarHBondContact O-OG 3.22Å |
| 335 | E | 74.5 | Confident | 70.4 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 171.2 | -77.8 | -157.9 | 122.4 | 0 | 0 | 112.1 | Q331 L332 S338 R339 | Q331-E335 PolarHBondContact O-N 2.94Å; L332-E335 PolarHBondContact O-N 3.27Å; E335-S338 PolarHBondContact O-N 3.46Å; E335-R339 WeakPolarHBondContact O-CG 3.34Å; E335-R339 PolarHBondContact O-N 2.86Å |
| 336 | N | 75 | Confident | 69.5 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 179.9 | -73.1 | -16.5 | 0 | 0 | 0 | 112.2 | L332 Q333 S338 R339 E340 | L332-N336 WeakPolarHBondContact O-CB 3.47Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.03Å; L332-N336 PolarHBondContact O-ND2 2.83Å; Q333-N336 PolarHBondContact O-N 3.04Å; N336-S338 VanDerWaalsContact C-N 3.25Å; N336-S338 PolarHBondContact O-N 3.37Å; N336-R339 WeakPolarHBondContact O-CB 3.27Å; N336-R339 PolarHBondContact O-N 2.85Å; N336-E340 WeakPolarHBondContact O-CG 3.3Å; N336-E340 PolarHBondContact O-N 2.94Å |
| 337 | A | 73 | Confident | 68 | Low | 44 Ų | 44 | 111 Ų | 111 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q333 Q341 | Q333-A337 WeakPolarHBondContact O-CB 3.25Å; Q333-A337 PolarHBondContact O-N 2.99Å; A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.96Å |
| 338 | S | 68.9 | Low | 66.5 | Low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 173.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | Q334 E335 N336 Q341 T342 | Q334-S338 WeakPolarHBondContact O-CB 3.46Å; Q334-S338 PolarHBondContact O-N 2.75Å; Q334-S338 VanDerWaalsContact O-N 3.1Å; Q334-S338 PolarHBondContact O-OG 3.22Å; E335-S338 PolarHBondContact O-N 3.46Å; N336-S338 VanDerWaalsContact C-N 3.25Å; N336-S338 PolarHBondContact O-N 3.37Å; S338-Q341 PolarHBondContact O-N 3.43Å; S338-T342 PolarHBondContact O-N 2.82Å; S338-T342 VanDerWaalsContact O-N 3.11Å |
| 339 | R | 67.6 | Low | 64.9 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -44.1 | 177.2 | -75.4 | 171.4 | 175.1 | -142.4 | -1.9 | 112.5 | E335 N336 Q341 T342 H343 | E335-R339 WeakPolarHBondContact O-CG 3.34Å; E335-R339 PolarHBondContact O-N 2.86Å; N336-R339 WeakPolarHBondContact O-CB 3.27Å; N336-R339 PolarHBondContact O-N 2.85Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.26Å; R339-T342 WeakPolarHBondContact CA-OG1 3.32Å; R339-T342 PolarHBondContact O-N 3.36Å; R339-T342 VanDerWaalsContact O-N 3.09Å; R339-T342 PolarHBondContact O-OG1 2.96Å; R339-H343 PolarHBondContact O-CD2 3.41Å; R339-H343 PolarHBondContact O-N 2.95Å |
| 340 | E | 64.9 | Low | 63.3 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.3 | -43 | 177 | -73.4 | 171.1 | -165.7 | 0 | 0 | 111.5 | N336 T342 H343 Q344 | N336-E340 WeakPolarHBondContact O-CG 3.3Å; N336-E340 PolarHBondContact O-N 2.94Å; E340-T342 VanDerWaalsContact C-N 3.35Å; E340-T342 PolarHBondContact O-N 3.28Å; E340-H343 PolarHBondContact O-N 3.38Å; E340-Q344 WeakPolarHBondContact O-CG 3.5Å; E340-Q344 PolarHBondContact O-N 2.84Å |
| 341 | Q | 57.8 | Low | 62 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.8 | -36.2 | 173.8 | -69.5 | -178.3 | 30.4 | 0 | 0 | 112.9 | A337 S338 R339 R345 | A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.96Å; S338-Q341 PolarHBondContact O-N 3.43Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.26Å; Q341-R345 WeakPolarHBondContact O-CG 3.4Å; Q341-R345 PolarHBondContact O-N 2.96Å |
| 342 | T | 56.7 | Low | 60.3 | Low | 77 Ų | 77 | 125.8 Ų | 125.8 | 47% | 0.472 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.5 | -38.9 | 173.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | S338 R339 E340 R345 Q346 | S338-T342 PolarHBondContact O-N 2.82Å; S338-T342 VanDerWaalsContact O-N 3.11Å; R339-T342 WeakPolarHBondContact CA-OG1 3.32Å; R339-T342 PolarHBondContact O-N 3.36Å; R339-T342 VanDerWaalsContact O-N 3.09Å; R339-T342 PolarHBondContact O-OG1 2.96Å; E340-T342 VanDerWaalsContact C-N 3.35Å; E340-T342 PolarHBondContact O-N 3.28Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-Q346 WeakPolarHBondContact O-CG 3.4Å; T342-Q346 PolarHBondContact O-N 2.91Å |
| 343 | H | 56.4 | Low | 58.7 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.3 | -41.3 | 178 | -73.6 | -49.9 | 0 | 0 | 0 | 112.2 | R339 E340 R345 Q346 T347 | R339-H343 PolarHBondContact O-CD2 3.41Å; R339-H343 PolarHBondContact O-N 2.95Å; E340-H343 PolarHBondContact O-N 3.38Å; H343-R345 PolarHBondContact O-N 3.46Å; H343-Q346 PolarHBondContact O-N 3.11Å; H343-T347 PolarHBondContact O-N 2.73Å; H343-T347 VanDerWaalsContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å |
| 344 | Q | 53.5 | Low | 57.2 | Low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65 | -24 | 174.6 | -69.3 | -176.5 | 24.3 | 0 | 0 | 113.4 | E340 T347 | E340-Q344 WeakPolarHBondContact O-CG 3.5Å; E340-Q344 PolarHBondContact O-N 2.84Å; Q344-T347 PolarHBondContact O-OG1 3.05Å |
| 345 | R | 51.4 | Low | 55.5 | Low | 216 Ų | 216 | 137.1 Ų | 137.1 | 82% | 0.815 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79 | -17.9 | 171 | -76.9 | -177.8 | 172.5 | -159.2 | -2.3 | 113.9 | Q341 T342 H343 | Q341-R345 WeakPolarHBondContact O-CG 3.4Å; Q341-R345 PolarHBondContact O-N 2.96Å; T342-R345 PolarHBondContact O-N 3.21Å; H343-R345 PolarHBondContact O-N 3.46Å |
| 346 | Q | 54.8 | Low | 54 | Low | 132 Ų | 132 | 137.8 Ų | 137.8 | 62% | 0.617 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -91.8 | -24.4 | 177.2 | -72.2 | 175 | -12.8 | 0 | 0 | 113.1 | T342 H343 K348 | T342-Q346 WeakPolarHBondContact O-CG 3.4Å; T342-Q346 PolarHBondContact O-N 2.91Å; H343-Q346 PolarHBondContact O-N 3.11Å; Q346-K348 PolarHBondContact O-N 3.09Å |
| 347 | T | 49.6 | Very low | 52.3 | Low | 106 Ų | 106 | 141.2 Ų | 141.2 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 0.1 | -176.5 | 51.2 | 0 | 0 | 0 | 0 | 115.8 | H343 Q344 | H343-T347 PolarHBondContact O-N 2.73Å; H343-T347 VanDerWaalsContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å; Q344-T347 PolarHBondContact O-OG1 3.05Å |
| 348 | K | 45.8 | Very low | 50.8 | Low | 189 Ų | 189 | 145.8 Ų | 145.8 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 21.3 | 177.3 | -82 | -169.1 | 172.8 | -176.1 | 0 | 115.4 | Q346 | Q346-K348 PolarHBondContact O-N 3.09Š|
| 349 | R | 43.3 | Very low | 49.2 | Very low | 227 Ų | 227 | 147.8 Ų | 147.8 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | -139.8 | 74.8 | 172.6 | -72.2 | -173.8 | 175.3 | -178.1 | -1.8 | 111.8 | ||||
| 350 | N | 45.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -148.1 | 104 | 168 | -88.2 | -46.9 | 0 | 0 | 0 | 109.3 | ||||
| 351 | D | 52.7 | Low | 46.5 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -99.6 | 108.7 | 180 | -148.9 | -25.5 | 0 | 0 | 0 | 109.1 | N353 | D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.45Å | ||
| 352 | P | 42.1 | Very low | 45.4 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -87.4 | 53.1 | -158.2 | 35.8 | -38.3 | 0 | 0 | 0 | 113.4 | ||
| 353 | N | 46.6 | Very low | 44.7 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -148.6 | 32.9 | -171.2 | -108.3 | -28.8 | 0 | 0 | 0 | 116.9 | D351 | D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.45Å | ||
| 354 | K | 44.1 | Very low | 43.8 | Very low | 195 Ų | 195 | 160.1 Ų | 160.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -140.7 | 66.1 | 174.3 | -158 | -179.7 | -179.3 | -177.5 | 0 | 115.3 | ||||
| 355 | F | 41.7 | Very low | 43.3 | Very low | 216 Ų | 216 | 158.1 Ų | 158.1 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -130.3 | 107.9 | 160.4 | -90.2 | -82.7 | 0 | 0 | 0 | 110.5 | ||||
| 356 | S | 41.3 | Very low | 43.3 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 133.1 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 357 | I | 40.1 | Very low | 43.4 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -81.5 | 134.8 | -160 | -63.5 | 161.2 | 0 | 0 | 0 | 111.3 | ||||
| 358 | T | 40.7 | Very low | 43.9 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -142.8 | 114.2 | 149.5 | -42.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 359 | T | 36.1 | Very low | 44.9 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 130.7 | -178.2 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 360 | N | 40.2 | Very low | 46.5 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -155.6 | 167.9 | 149.5 | -97.7 | -32.7 | 0 | 0 | 0 | 109.9 | ||||
| 361 | Q | 35.8 | Very low | 48.6 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -98.3 | 165.5 | -161.5 | -65.2 | 169.5 | -8.6 | 0 | 0 | 113.3 | ||||
| 362 | S | 35.3 | Very low | 50.5 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 54.2 | 84.7 | 170.3 | 59.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 363 | E | 40.3 | Very low | 52.9 | Low | 199 Ų | 199 | 133.8 Ų | 133.8 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | trans | -118.8 | 118.8 | 145.3 | -73 | -168.1 | 160.4 | 0 | 0 | 108.9 | ||||
| 364 | E | 39.6 | Very low | 55.1 | Low | 187 Ų | 187 | 131.3 Ų | 131.3 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -74.4 | 124.8 | 178.4 | -173.4 | 171.1 | -139.7 | 0 | 0 | 109 | V366 | E364-V366 PolarHBondContact O-N 2.99Š| ||
| 365 | S | 41.5 | Very low | 57.4 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | trans | -65.6 | 103.5 | -173.9 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | Q367 | S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 3.42Å | ||
| 366 | V | 52.2 | Low | 59.9 | Low | 134 Ų | 134 | 117.2 Ų | 117.2 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | trans | -63.5 | 91.8 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | E364 D368 | E364-V366 PolarHBondContact O-N 2.99Å; V366-D368 PolarHBondContact O-N 3.37Å | ||
| 367 | Q | 57.4 | Low | 62.5 | Low | 142 Ų | 142 | 114.1 Ų | 114.1 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | trans | -60.2 | 121.2 | 167.5 | -70.5 | -171.9 | 0.5 | 0 | 0 | 107.3 | S365 S369 | S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 3.42Å; Q367-S369 PolarHBondContact O-N 2.84Å | ||
| 368 | D | 58.5 | Low | 65.1 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -50.4 | 107.8 | 173.1 | -86.8 | -50.4 | 0 | 0 | 0 | 109 | V366 S370 V371 | V366-D368 PolarHBondContact O-N 3.37Å; D368-S370 PolarHBondContact O-N 3.04Å; D368-V371 HydrophobicContact CB-CB 4.47Å; D368-V371 HydrophobicContact CB-CG2 3.67Å; D368-V371 PolarHBondContact O-N 2.97Å | ||
| 369 | S | 68.4 | Low | 67.7 | Low | 80 Ų | 80 | 101.7 Ų | 101.7 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -11.4 | -169.5 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | Q367 Y408 | Q367-S369 PolarHBondContact O-N 2.84Å; S369-Y408 WeakPolarHBondContact O-CA 3.44Å; S369-Y408 PolarHBondContact O-N 3.15Å; S369-Y408 VanDerWaalsContact O-N 3.15Å |
| 370 | S | 76.8 | Confident | 70.5 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | D368 Y408 | D368-S370 PolarHBondContact O-N 3.04Å; S370-Y408 VanDerWaalsContact O-CD2 3.24Å; S370-Y408 WeakPolarHBondContact O-CD2 3.29Å; S370-Y408 WeakPolarHBondContact O-CE2 3.41Å |
| 371 | V | 89.2 | Confident | 73.2 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -86.2 | 126.8 | -176.5 | 178.5 | 0 | 0 | 0 | 0 | 111 | D368 P373 | D368-V371 HydrophobicContact CB-CB 4.47Å; D368-V371 HydrophobicContact CB-CG2 3.67Å; D368-V371 PolarHBondContact O-N 2.97Å; V371-P373 WeakPolarHBondContact O-CD 3.32Å |
| 372 | K | 92.5 | Very high | 76 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 125.3 | 176.9 | -175.4 | 172.3 | -179.2 | 176.8 | 0 | 111 | Y408 Y409 | K372-Y408 HydrophobicContact CB-CD1 4.14Å; K372-Y408 HydrophobicContact CB-CD2 4.28Å; K372-Y408 HydrophobicContact CB-CE1 3.75Å; K372-Y408 HydrophobicContact CB-CE2 3.9Å; K372-Y408 HydrophobicContact CB-CG 4.39Å; K372-Y408 HydrophobicContact CD-CE1 3.93Å; K372-Y408 HydrophobicContact CG-CD1 4.05Å; K372-Y408 HydrophobicContact CG-CE1 3.56Å; K372-Y409 WeakPolarHBondContact CE-OH 3.44Å |
| 373 | P | 92.8 | Very high | 78.9 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 148.7 | 177.5 | -23.5 | 32 | 0 | 0 | 0 | 113.1 | V371 Y375 Y406 Y409 | V371-P373 WeakPolarHBondContact O-CD 3.32Å; P373-Y375 HydrophobicContact CB-CD2 3.75Å; P373-Y375 HydrophobicContact CB-CE2 4.35Å; P373-Y375 PolarHBondContact O-N 3.37Å; P373-Y406 HydrophobicContact CB-CD1 3.92Å; P373-Y406 HydrophobicContact CB-CE1 4.2Å; P373-Y406 HydrophobicContact CB-CG 4.42Å; P373-Y406 HydrophobicContact CG-CD1 3.48Å; P373-Y406 VanDerWaalsContact CG-CD1 3.48Å; P373-Y406 HydrophobicContact CG-CE1 4.25Å; P373-Y406 HydrophobicContact CG-CG 3.71Å; P373-Y409 HydrophobicContact CG-CE2 4.04Å |
| 374 | P | 91.8 | Very high | 81.5 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 66% | 0.656 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -73.1 | 16.8 | -177.6 | 31.9 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 375 | Y | 93.5 | Very high | 84.2 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -100.3 | 139.8 | -175.1 | -56.3 | -65.2 | 0 | 0 | 0 | 112.1 | P373 L380 M383 Y406 | P373-Y375 HydrophobicContact CB-CD2 3.75Å; P373-Y375 HydrophobicContact CB-CE2 4.35Å; P373-Y375 PolarHBondContact O-N 3.37Å; Y375-L380 HydrophobicContact CD2-CD2 4.46Å; Y375-M383 HydrophobicContact CD1-CE 4.03Å; Y375-M383 HydrophobicContact CD2-CE 4Å; Y375-M383 HydrophobicContact CE1-CE 4.48Å; Y375-M383 HydrophobicContact CE2-CE 4.47Å; Y375-M383 HydrophobicContact CG-CE 3.77Å; Y375-Y406 AromaticContact CD2-CE1 3.97Å; Y375-Y406 HydrophobicContact CD2-CE1 3.97Å; Y375-Y406 AromaticContact CD2-CZ 3.82Å; Y375-Y406 AromaticContact CE2-CE1 3.81Å; Y375-Y406 HydrophobicContact CE2-CE1 3.81Å; Y375-Y406 AromaticContact CE2-CZ 3.85Å; Y375-Y406 WeakPolarHBondContact CE2-OH 3.5Å | ||
| 376 | S | 94 | Very high | 86.7 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -72.8 | 156.6 | 171.4 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | I378 A379 L380 | S376-I378 PolarHBondContact O-N 3Å; S376-A379 WeakPolarHBondContact O-CA 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.36Å; S376-A379 PolarHBondContact O-N 3.44Å; S376-A379 PolarHBondContact OG-N 2.91Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 2.99Å | ||
| 377 | Y | 96.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.8 | -34.5 | 174.1 | -66.4 | -54.7 | 0 | 0 | 0 | 112.9 | L380 I381 Y409 W416 I420 | Y377-L380 HydrophobicContact CD1-CD1 4.11Å; Y377-L380 PolarHBondContact O-N 3.46Å; Y377-I381 WeakPolarHBondContact O-CB 3.48Å; Y377-I381 WeakPolarHBondContact O-CD1 3.4Å; Y377-I381 WeakPolarHBondContact O-CG1 3.21Å; Y377-I381 PolarHBondContact O-N 3.03Å; Y377-Y409 HydrophobicContact CE1-CE1 4.17Å; Y377-W416 HydrophobicContact CE1-CB 4.19Å; Y377-I420 HydrophobicContact CD1-CD1 3.87Å; Y377-I420 HydrophobicContact CD1-CG1 4.41Å; Y377-I420 HydrophobicContact CG-CD1 4.41Å |
| 378 | I | 94.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.9 | -63.7 | 174 | 0 | 0 | 0 | 110.7 | S376 A382 N423 N427 F430 F456 | S376-I378 PolarHBondContact O-N 3Å; I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.16Å; I378-N423 WeakPolarHBondContact CG1-OD1 3.46Å; I378-N427 WeakPolarHBondContact CD1-OD1 3.32Å; I378-F430 HydrophobicContact CB-CE2 4.48Å; I378-F430 HydrophobicContact CB-CZ 4.47Å; I378-F430 HydrophobicContact CG1-CE2 4.46Å; I378-F430 HydrophobicContact CG2-CE2 4.14Å; I378-F430 HydrophobicContact CG2-CZ 3.88Å; I378-F430 WeakPolarHBondContact O-CZ 2.84Å; I378-F456 HydrophobicContact CG2-CE1 4.41Å; I378-F456 HydrophobicContact CG2-CZ 3.91Å |
| 379 | A | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.5 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S376 I381 A382 M383 Y461 | S376-A379 WeakPolarHBondContact O-CA 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.36Å; S376-A379 PolarHBondContact O-N 3.44Å; S376-A379 PolarHBondContact OG-N 2.91Å; A379-I381 VanDerWaalsContact C-N 3.3Å; A379-I381 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.4Å; A379-M383 WeakPolarHBondContact O-CG 3.38Å; A379-M383 PolarHBondContact O-N 3.05Å; A379-Y461 HydrophobicContact CB-CD1 4.34Å; A379-Y461 WeakPolarHBondContact CB-O 3.5Å |
| 380 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 174.2 | -68.3 | 171.8 | 0 | 0 | 0 | 111.9 | Y375 S376 Y377 M383 A384 I402 Y406 Y409 | Y375-L380 HydrophobicContact CD2-CD2 4.46Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 2.99Å; Y377-L380 HydrophobicContact CD1-CD1 4.11Å; Y377-L380 PolarHBondContact O-N 3.46Å; L380-M383 HydrophobicContact CD2-CE 3.94Å; L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.39Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-A384 VanDerWaalsContact O-N 3.11Å; L380-I402 HydrophobicContact CB-CD1 3.88Å; L380-I402 HydrophobicContact CB-CG1 4.18Å; L380-Y406 HydrophobicContact CD2-CD2 3.6Å; L380-Y406 HydrophobicContact CD2-CE2 3.33Å; L380-Y409 HydrophobicContact CD1-CE2 3.75Å |
| 381 | I | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 173.4 | -67 | 160.2 | 0 | 0 | 0 | 110.8 | Y377 A379 A384 I385 I398 I420 N423 L424 F430 | Y377-I381 WeakPolarHBondContact O-CB 3.48Å; Y377-I381 WeakPolarHBondContact O-CD1 3.4Å; Y377-I381 WeakPolarHBondContact O-CG1 3.21Å; Y377-I381 PolarHBondContact O-N 3.03Å; A379-I381 VanDerWaalsContact C-N 3.3Å; A379-I381 PolarHBondContact O-N 2.89Å; I381-A384 PolarHBondContact O-N 3.41Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 3.38Å; I381-I398 HydrophobicContact CG1-CG2 4.23Å; I381-I398 HydrophobicContact CG2-CD1 4.34Å; I381-I420 HydrophobicContact CD1-CD1 4.09Å; I381-I420 HydrophobicContact CD1-CG2 4.33Å; I381-I420 HydrophobicContact CG1-CD1 3.82Å; I381-I420 HydrophobicContact CG1-CG2 4.26Å; I381-N423 HydrophobicContact CD1-CB 3.81Å; I381-L424 HydrophobicContact CD1-CD2 4.1Å; I381-L424 HydrophobicContact CD1-CG 3.96Å; I381-L424 HydrophobicContact CG1-CD2 4.42Å; I381-L424 HydrophobicContact CG2-CD2 3.6Å; I381-F430 HydrophobicContact CB-CE1 4.08Å; I381-F430 HydrophobicContact CB-CE2 4.2Å; I381-F430 HydrophobicContact CB-CZ 3.76Å; I381-F430 HydrophobicContact CD1-CD2 4.5Å; I381-F430 HydrophobicContact CD1-CE2 4.03Å; I381-F430 HydrophobicContact CD1-CZ 4.45Å; I381-F430 HydrophobicContact CG2-CD1 3.7Å; I381-F430 HydrophobicContact CG2-CD2 4.23Å; I381-F430 HydrophobicContact CG2-CE1 3.39Å; I381-F430 HydrophobicContact CG2-CE2 3.95Å; I381-F430 HydrophobicContact CG2-CG 4.12Å; I381-F430 HydrophobicContact CG2-CZ 3.53Å |
| 382 | A | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I378 A379 A384 I385 S386 F456 Y461 | I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.16Å; A379-A382 PolarHBondContact O-N 3.4Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A382-A384 PolarHBondContact O-N 2.99Å; A382-I385 PolarHBondContact O-N 2.81Å; A382-I385 VanDerWaalsContact O-N 3.12Å; A382-S386 PolarHBondContact O-N 3.44Å; A382-S386 PolarHBondContact O-OG 3.02Å; A382-F456 HydrophobicContact CB-CD1 3.84Å; A382-F456 HydrophobicContact CB-CD2 4Å; A382-F456 HydrophobicContact CB-CE1 3.64Å; A382-F456 HydrophobicContact CB-CE2 3.81Å; A382-F456 HydrophobicContact CB-CG 3.99Å; A382-F456 HydrophobicContact CB-CZ 3.59Å; A382-Y461 HydrophobicContact CB-CE1 4.35Å |
| 383 | M | 94.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 175 | -68 | -176.1 | -67.3 | 0 | 0 | 111.9 | Y375 A379 L380 I385 S386 S387 Y401 Y406 Y461 | Y375-M383 HydrophobicContact CD1-CE 4.03Å; Y375-M383 HydrophobicContact CD2-CE 4Å; Y375-M383 HydrophobicContact CE1-CE 4.48Å; Y375-M383 HydrophobicContact CE2-CE 4.47Å; Y375-M383 HydrophobicContact CG-CE 3.77Å; A379-M383 WeakPolarHBondContact O-CG 3.38Å; A379-M383 PolarHBondContact O-N 3.05Å; L380-M383 HydrophobicContact CD2-CE 3.94Å; M383-I385 VanDerWaalsContact C-N 3.29Å; M383-I385 PolarHBondContact O-N 2.71Å; M383-S386 PolarHBondContact O-N 3.49Å; M383-S387 WeakPolarHBondContact O-CB 3.35Å; M383-S387 PolarHBondContact O-N 2.78Å; M383-Y401 HydrophobicContact CB-CE1 3.86Å; M383-Y406 HydrophobicContact CE-CE2 4.23Å; M383-Y406 VanDerWaalsContact CE-OH 3.29Å; M383-Y406 WeakPolarHBondContact CE-OH 3.47Å; M383-Y461 HydrophobicContact CB-CE1 4.45Å; M383-Y461 HydrophobicContact CG-CD1 3.34Å; M383-Y461 HydrophobicContact CG-CD2 4.19Å; M383-Y461 HydrophobicContact CG-CE1 3.31Å; M383-Y461 HydrophobicContact CG-CE2 4.18Å; M383-Y461 HydrophobicContact CG-CG 3.8Å; M383-Y461 HydrophobicContact SD-CD1 3.92Å; M383-Y461 HydrophobicContact SD-CD2 4.04Å; M383-Y461 HydrophobicContact SD-CE1 4.35Å; M383-Y461 HydrophobicContact SD-CE2 4.48Å; M383-Y461 HydrophobicContact SD-CG 3.74Å |
| 384 | A | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -24.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L380 I381 A382 I398 Y401 | L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.39Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-A384 VanDerWaalsContact O-N 3.11Å; I381-A384 PolarHBondContact O-N 3.41Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A382-A384 PolarHBondContact O-N 2.99Å; A384-I398 HydrophobicContact CB-CB 4.29Å; A384-I398 HydrophobicContact CB-CG1 4.12Å; A384-I398 HydrophobicContact CB-CG2 4.09Å; A384-Y401 VanDerWaalsContact CA-CD1 3.49Å; A384-Y401 HydrophobicContact CB-CD1 3.42Å; A384-Y401 VanDerWaalsContact CB-CD1 3.42Å; A384-Y401 HydrophobicContact CB-CE1 4.1Å; A384-Y401 HydrophobicContact CB-CG 3.73Å |
| 385 | I | 95.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -83.5 | -48.1 | 174.4 | -69.3 | 171.3 | 0 | 0 | 0 | 109.7 | I381 A382 M383 S387 Q388 G391 A393 F430 W446 L448 | I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 3.38Å; A382-I385 PolarHBondContact O-N 2.81Å; A382-I385 VanDerWaalsContact O-N 3.12Å; M383-I385 VanDerWaalsContact C-N 3.29Å; M383-I385 PolarHBondContact O-N 2.71Å; I385-S387 PolarHBondContact O-N 2.81Å; I385-Q388 PolarHBondContact O-N 3.49Å; I385-Q388 VanDerWaalsContact O-N 3.07Å; I385-G391 WeakPolarHBondContact CG2-O 3.32Å; I385-A393 HydrophobicContact CG1-CB 3.98Å; I385-F430 HydrophobicContact CD1-CD1 3.97Å; I385-F430 HydrophobicContact CD1-CE1 4.3Å; I385-W446 HydrophobicContact CD1-CB 4.46Å; I385-L448 HydrophobicContact CG2-CB 4.42Å |
| 386 | S | 93.2 | Very high | 95 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 46% | 0.462 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -20.8 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | A382 M383 Q388 | A382-S386 PolarHBondContact O-N 3.44Å; A382-S386 PolarHBondContact O-OG 3.02Å; M383-S386 PolarHBondContact O-N 3.49Å; S386-Q388 VanDerWaalsContact C-N 3.25Å; S386-Q388 PolarHBondContact O-N 2.89Å |
| 387 | S | 93.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.3 | 173.4 | 110.9 | 0 | 0 | 0 | 0 | 114.1 | M383 I385 Y401 | M383-S387 WeakPolarHBondContact O-CB 3.35Å; M383-S387 PolarHBondContact O-N 2.78Å; I385-S387 PolarHBondContact O-N 2.81Å; S387-Y401 VanDerWaalsContact OG-CD2 3.32Å; S387-Y401 WeakPolarHBondContact OG-CD2 3.42Å; S387-Y401 WeakPolarHBondContact OG-CE2 3.29Å |
| 388 | Q | 94 | Very high | 95.2 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -95.9 | 128.2 | 178.6 | -53.9 | -59.6 | -79.5 | 0 | 0 | 109.1 | I385 S386 D390 G391 A393 | I385-Q388 PolarHBondContact O-N 3.49Å; I385-Q388 VanDerWaalsContact O-N 3.07Å; S386-Q388 VanDerWaalsContact C-N 3.25Å; S386-Q388 PolarHBondContact O-N 2.89Å; Q388-D390 PolarHBondContact O-N 3.1Å; Q388-G391 PolarHBondContact O-N 3.33Å; Q388-A393 HydrophobicContact CG-CB 4.03Å |
| 389 | Y | 92.7 | Very high | 95.4 | Very high | 211 Ų | 211 | 38.1 Ų | 38.1 | 83% | 0.827 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.2 | 178.5 | 67.1 | -90.5 | 0 | 0 | 0 | 113.1 | G391 | Y389-G391 VanDerWaalsContact C-N 3.32Š|
| 390 | D | 92.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.4 | 179.4 | -108.1 | -35.8 | 0 | 0 | 0 | 113.7 | Q388 K392 | Q388-D390 PolarHBondContact O-N 3.1Å; D390-K392 HydrophobicContact CB-CD 3.87Å; D390-K392 HydrophobicContact CB-CG 3.93Å; D390-K392 PolarHBondContact O-N 2.71Å; D390-K392 VanDerWaalsContact O-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.74Å; D390-K392 PolarHBondContact OD1-NZ 2.81Å; D390-K392 VanDerWaalsContact OD2-CE 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.21Å; D390-K392 IonicContact OD2-NZ 3.05Å; D390-K392 PolarHBondContact OD2-NZ 3.19Å; D390-K392 VanDerWaalsContact OD2-NZ 3.13Å |
| 391 | G | 93.2 | Very high | 95.6 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 62.2 | 14.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I385 Q388 Y389 | I385-G391 WeakPolarHBondContact CG2-O 3.32Å; Q388-G391 PolarHBondContact O-N 3.33Å; Y389-G391 VanDerWaalsContact C-N 3.32Å |
| 392 | K | 94.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 133 | -174.3 | 79.9 | -142.5 | 178 | -152.7 | 0 | 111.4 | D390 F445 W446 T447 | D390-K392 HydrophobicContact CB-CD 3.87Å; D390-K392 HydrophobicContact CB-CG 3.93Å; D390-K392 PolarHBondContact O-N 2.71Å; D390-K392 VanDerWaalsContact O-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.74Å; D390-K392 PolarHBondContact OD1-NZ 2.81Å; D390-K392 VanDerWaalsContact OD2-CE 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.21Å; D390-K392 IonicContact OD2-NZ 3.05Å; D390-K392 PolarHBondContact OD2-NZ 3.19Å; D390-K392 VanDerWaalsContact OD2-NZ 3.13Å; K392-F445 HydrophobicContact CB-CB 4.36Å; K392-F445 HydrophobicContact CG-CB 4.32Å; K392-F445 HydrophobicContact CG-CD1 3.79Å; K392-F445 HydrophobicContact CG-CE1 4.25Å; K392-F445 HydrophobicContact CG-CG 4.08Å; K392-W446 WeakPolarHBondContact CA-O 3.07Å; K392-T447 HydrophobicContact CB-CG2 3.47Å; K392-T447 VanDerWaalsContact CB-CG2 3.47Å |
| 393 | A | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I385 Q388 I398 F445 W446 | I385-A393 HydrophobicContact CG1-CB 3.98Å; Q388-A393 HydrophobicContact CG-CB 4.03Å; A393-I398 HydrophobicContact CB-CD1 4.29Å; A393-I398 HydrophobicContact CB-CG1 3.74Å; A393-F445 CarbonylContact O-C 3.59Å; A393-W446 PolarHBondContact N-O 3.38Å; A393-W446 PolarHBondContact O-N 2.79Å |
| 394 | T | 96.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 155.9 | 167.3 | 68.8 | 0 | 0 | 0 | 0 | 109.7 | N396 G397 I398 F445 | T394-N396 PolarHBondContact O-N 3.47Å; T394-N396 VanDerWaalsContact O-N 3.12Å; T394-G397 WeakPolarHBondContact O-CA 3.39Å; T394-G397 PolarHBondContact O-N 3.09Å; T394-G397 PolarHBondContact OG1-N 3.33Å; T394-G397 VanDerWaalsContact OG1-N 3.09Å; T394-I398 PolarHBondContact O-N 2.91Å; T394-F445 HydrophobicContact CG2-CD1 3.69Å; T394-F445 HydrophobicContact CG2-CE1 3.65Å |
| 395 | L | 97.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -51.7 | -38.3 | 175.6 | 177.7 | 63.2 | 0 | 0 | 0 | 112.6 | Y399 I420 R421 L424 | L395-Y399 HydrophobicContact CD1-CD1 4.41Å; L395-Y399 HydrophobicContact CD1-CE1 3.63Å; L395-Y399 HydrophobicContact CG-CE1 4.08Å; L395-Y399 HydrophobicContact CG-CE2 4.12Å; L395-Y399 WeakPolarHBondContact O-CD1 3.32Å; L395-Y399 PolarHBondContact O-N 3.39Å; L395-I420 HydrophobicContact CD1-CG2 4.23Å; L395-R421 HydrophobicContact CD1-CG 4.08Å; L395-R421 HydrophobicContact CD2-CG 4.05Å; L395-L424 HydrophobicContact CD1-CD1 3.58Å |
| 396 | N | 96.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.9 | -29.6 | 177.3 | -165.8 | 65.7 | 0 | 0 | 0 | 113 | T394 Y399 R400 | T394-N396 PolarHBondContact O-N 3.47Å; T394-N396 VanDerWaalsContact O-N 3.12Å; N396-Y399 PolarHBondContact O-N 2.93Å; N396-R400 WeakPolarHBondContact O-CG 3.35Å; N396-R400 PolarHBondContact O-N 3.36Å; N396-R400 VanDerWaalsContact O-N 3.08Å |
| 397 | G | 96.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T394 Y399 R400 Y401 | T394-G397 WeakPolarHBondContact O-CA 3.39Å; T394-G397 PolarHBondContact O-N 3.09Å; T394-G397 PolarHBondContact OG1-N 3.33Å; T394-G397 VanDerWaalsContact OG1-N 3.09Å; G397-Y399 VanDerWaalsContact C-N 3.32Å; G397-Y399 PolarHBondContact O-N 3.26Å; G397-R400 PolarHBondContact O-N 2.91Å; G397-Y401 PolarHBondContact O-N 3.19Å |
| 398 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.2 | -62.5 | 166.8 | 0 | 0 | 0 | 110.6 | I381 A384 A393 T394 I402 I420 L424 W446 | I381-I398 HydrophobicContact CG1-CG2 4.23Å; I381-I398 HydrophobicContact CG2-CD1 4.34Å; A384-I398 HydrophobicContact CB-CB 4.29Å; A384-I398 HydrophobicContact CB-CG1 4.12Å; A384-I398 HydrophobicContact CB-CG2 4.09Å; A393-I398 HydrophobicContact CB-CD1 4.29Å; A393-I398 HydrophobicContact CB-CG1 3.74Å; T394-I398 PolarHBondContact O-N 2.91Å; I398-I402 HydrophobicContact CG2-CD1 3.78Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.34Å; I398-I402 PolarHBondContact O-N 3.41Å; I398-I402 VanDerWaalsContact O-N 3.14Å; I398-I420 HydrophobicContact CG2-CG2 3.99Å; I398-L424 HydrophobicContact CD1-CD1 4.11Å; I398-L424 HydrophobicContact CD1-CD2 4.15Å; I398-W446 HydrophobicContact CD1-CB 4.39Å |
| 399 | Y | 97.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.9 | -62.2 | -19.1 | 0 | 0 | 0 | 113 | L395 N396 G397 M403 W416 Q417 I420 R421 | L395-Y399 HydrophobicContact CD1-CD1 4.41Å; L395-Y399 HydrophobicContact CD1-CE1 3.63Å; L395-Y399 HydrophobicContact CG-CE1 4.08Å; L395-Y399 HydrophobicContact CG-CE2 4.12Å; L395-Y399 WeakPolarHBondContact O-CD1 3.32Å; L395-Y399 PolarHBondContact O-N 3.39Å; N396-Y399 PolarHBondContact O-N 2.93Å; G397-Y399 VanDerWaalsContact C-N 3.32Å; G397-Y399 PolarHBondContact O-N 3.26Å; Y399-M403 WeakPolarHBondContact O-CE 3.25Å; Y399-M403 WeakPolarHBondContact O-CG 3.42Å; Y399-M403 PolarHBondContact O-N 2.96Å; Y399-M403 VanDerWaalsContact O-N 3.13Å; Y399-W416 HydrophobicContact CD1-CH2 4.3Å; Y399-W416 AromaticContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CG-CH2 4.45Å; Y399-Q417 HydrophobicContact CD1-CB 4.36Å; Y399-Q417 HydrophobicContact CD1-CG 3.77Å; Y399-Q417 HydrophobicContact CD2-CG 4.3Å; Y399-Q417 HydrophobicContact CE1-CB 3.72Å; Y399-Q417 HydrophobicContact CE1-CG 3.64Å; Y399-Q417 HydrophobicContact CE2-CB 4.43Å; Y399-Q417 HydrophobicContact CE2-CG 4.19Å; Y399-Q417 HydrophobicContact CG-CG 4.1Å; Y399-I420 HydrophobicContact CD1-CG2 4.35Å; Y399-I420 HydrophobicContact CE1-CB 4.27Å; Y399-I420 HydrophobicContact CE1-CG2 3.98Å; Y399-R421 WeakPolarHBondContact OH-CG 3.24Å; Y399-R421 PolarHBondContact OH-NH1 3.2Å |
| 400 | R | 97 | Very high | 95.8 | Very high | 152 Ų | 152 | 50.9 Ų | 50.9 | 57% | 0.574 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.7 | -59.2 | 176.8 | -74.6 | 177.9 | -176.9 | 175.1 | -1.1 | 110.4 | N396 G397 I402 M403 D404 | N396-R400 WeakPolarHBondContact O-CG 3.35Å; N396-R400 PolarHBondContact O-N 3.36Å; N396-R400 VanDerWaalsContact O-N 3.08Å; G397-R400 PolarHBondContact O-N 2.91Å; R400-I402 PolarHBondContact O-N 3.42Å; R400-M403 CarbonylContact O-C 3.59Å; R400-M403 WeakPolarHBondContact O-CA 3.41Å; R400-M403 PolarHBondContact O-N 2.94Å; R400-D404 WeakPolarHBondContact O-CB 3.37Å; R400-D404 PolarHBondContact O-N 3.39Å |
| 401 | Y | 97.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 54 Ų | 54 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -46.8 | -45 | 179.6 | 179.4 | -88.4 | 0 | 0 | 0 | 112.7 | M383 A384 S387 G397 D404 N405 | M383-Y401 HydrophobicContact CB-CE1 3.86Å; A384-Y401 VanDerWaalsContact CA-CD1 3.49Å; A384-Y401 HydrophobicContact CB-CD1 3.42Å; A384-Y401 VanDerWaalsContact CB-CD1 3.42Å; A384-Y401 HydrophobicContact CB-CE1 4.1Å; A384-Y401 HydrophobicContact CB-CG 3.73Å; S387-Y401 VanDerWaalsContact OG-CD2 3.32Å; S387-Y401 WeakPolarHBondContact OG-CD2 3.42Å; S387-Y401 WeakPolarHBondContact OG-CE2 3.29Å; G397-Y401 PolarHBondContact O-N 3.19Å; Y401-D404 PolarHBondContact O-N 2.86Å; Y401-N405 VanDerWaalsContact CD2-ND2 3.35Å; Y401-N405 WeakPolarHBondContact CD2-ND2 3.18Å; Y401-N405 VanDerWaalsContact CE2-ND2 3.28Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.23Å; Y401-N405 WeakPolarHBondContact O-CB 3.26Å; Y401-N405 PolarHBondContact O-N 3.25Å; Y401-N405 PolarHBondContact O-ND2 2.82Å |
| 402 | I | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68 | -43.2 | 178.9 | -66.5 | 171.3 | 0 | 0 | 0 | 112.1 | L380 I398 R400 D404 Y406 Y409 W416 I420 | L380-I402 HydrophobicContact CB-CD1 3.88Å; L380-I402 HydrophobicContact CB-CG1 4.18Å; I398-I402 HydrophobicContact CG2-CD1 3.78Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.34Å; I398-I402 PolarHBondContact O-N 3.41Å; I398-I402 VanDerWaalsContact O-N 3.14Å; R400-I402 PolarHBondContact O-N 3.42Å; I402-D404 VanDerWaalsContact C-N 3.34Å; I402-Y406 WeakPolarHBondContact O-CA 3.36Å; I402-Y406 WeakPolarHBondContact O-CB 3.35Å; I402-Y406 PolarHBondContact O-N 3.38Å; I402-Y409 HydrophobicContact CG2-CD2 3.42Å; I402-Y409 VanDerWaalsContact CG2-CD2 3.42Å; I402-Y409 HydrophobicContact CG2-CE2 4.16Å; I402-Y409 HydrophobicContact CG2-CG 3.63Å; I402-W416 HydrophobicContact CB-CZ3 4.42Å; I402-W416 HydrophobicContact CD1-CZ3 4.46Å; I402-W416 HydrophobicContact CG2-CH2 4.43Å; I402-W416 HydrophobicContact CG2-CZ3 4.15Å; I402-I420 HydrophobicContact CD1-CD1 3.59Å; I402-I420 HydrophobicContact CD1-CG1 4.21Å |
| 403 | M | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.148 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.9 | -30.8 | 176.8 | -70.3 | -175.9 | -59.1 | 0 | 0 | 113.1 | Y399 R400 R410 K413 W416 | Y399-M403 WeakPolarHBondContact O-CE 3.25Å; Y399-M403 WeakPolarHBondContact O-CG 3.42Å; Y399-M403 PolarHBondContact O-N 2.96Å; Y399-M403 VanDerWaalsContact O-N 3.13Å; R400-M403 CarbonylContact O-C 3.59Å; R400-M403 WeakPolarHBondContact O-CA 3.41Å; R400-M403 PolarHBondContact O-N 2.94Å; M403-R410 HydrophobicContact CB-CG 4.14Å; M403-R410 PolarHBondContact O-NE 2.83Å; M403-R410 PolarHBondContact O-NH2 3.37Å; M403-K413 HydrophobicContact SD-CD 4.09Å; M403-W416 HydrophobicContact CG-CH2 3.92Å; M403-W416 HydrophobicContact CG-CZ2 3.71Å; M403-W416 HydrophobicContact SD-CH2 4.45Å; M403-W416 HydrophobicContact SD-CZ2 4.08Å |
| 404 | D | 95.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -76.5 | -50.9 | -175.8 | -59.7 | -27 | 0 | 0 | 0 | 109.8 | R400 Y401 I402 R410 | R400-D404 WeakPolarHBondContact O-CB 3.37Å; R400-D404 PolarHBondContact O-N 3.39Å; Y401-D404 PolarHBondContact O-N 2.86Å; I402-D404 VanDerWaalsContact C-N 3.34Å; D404-R410 PolarHBondContact O-NH2 3.25Å |
| 405 | N | 95.4 | Very high | 95.1 | Very high | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -78.1 | -27.1 | 179.3 | -67.6 | -92.6 | 0 | 0 | 0 | 114.1 | Y401 | Y401-N405 VanDerWaalsContact CD2-ND2 3.35Å; Y401-N405 WeakPolarHBondContact CD2-ND2 3.18Å; Y401-N405 VanDerWaalsContact CE2-ND2 3.28Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.23Å; Y401-N405 WeakPolarHBondContact O-CB 3.26Å; Y401-N405 PolarHBondContact O-N 3.25Å; Y401-N405 PolarHBondContact O-ND2 2.82Å |
| 406 | Y | 94.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | trans | -130.7 | 89.5 | -174.7 | -55.3 | -65.6 | 0 | 0 | 0 | 111.3 | P373 Y375 L380 M383 I402 Y408 Y409 | P373-Y406 HydrophobicContact CB-CD1 3.92Å; P373-Y406 HydrophobicContact CB-CE1 4.2Å; P373-Y406 HydrophobicContact CB-CG 4.42Å; P373-Y406 HydrophobicContact CG-CD1 3.48Å; P373-Y406 VanDerWaalsContact CG-CD1 3.48Å; P373-Y406 HydrophobicContact CG-CE1 4.25Å; P373-Y406 HydrophobicContact CG-CG 3.71Å; Y375-Y406 AromaticContact CD2-CE1 3.97Å; Y375-Y406 HydrophobicContact CD2-CE1 3.97Å; Y375-Y406 AromaticContact CD2-CZ 3.82Å; Y375-Y406 AromaticContact CE2-CE1 3.81Å; Y375-Y406 HydrophobicContact CE2-CE1 3.81Å; Y375-Y406 AromaticContact CE2-CZ 3.85Å; Y375-Y406 WeakPolarHBondContact CE2-OH 3.5Å; L380-Y406 HydrophobicContact CD2-CD2 3.6Å; L380-Y406 HydrophobicContact CD2-CE2 3.33Å; M383-Y406 HydrophobicContact CE-CE2 4.23Å; M383-Y406 VanDerWaalsContact CE-OH 3.29Å; M383-Y406 WeakPolarHBondContact CE-OH 3.47Å; I402-Y406 WeakPolarHBondContact O-CA 3.36Å; I402-Y406 WeakPolarHBondContact O-CB 3.35Å; I402-Y406 PolarHBondContact O-N 3.38Å; Y406-Y408 PolarHBondContact O-N 2.82Å; Y406-Y409 PolarHBondContact O-N 2.83Å | ||
| 407 | P | 93.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -51.5 | -31.2 | -174.6 | -31.1 | 36.9 | 0 | 0 | 0 | 115.6 | Y409 R410 | P407-Y409 PolarHBondContact O-N 3.35Å; P407-Y409 VanDerWaalsContact O-N 3.09Å; P407-R410 WeakPolarHBondContact O-CB 3.32Å; P407-R410 VanDerWaalsContact O-CG 3.26Å; P407-R410 WeakPolarHBondContact O-CG 3.46Å; P407-R410 PolarHBondContact O-N 3.49Å |
| 408 | Y | 94.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 67 Ų | 67 | 35% | 0.345 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -46.2 | -37.3 | 173.2 | 176.3 | -100.3 | 0 | 0 | 0 | 114.3 | S369 S370 K372 Y406 R410 | S369-Y408 WeakPolarHBondContact O-CA 3.44Å; S369-Y408 PolarHBondContact O-N 3.15Å; S369-Y408 VanDerWaalsContact O-N 3.15Å; S370-Y408 VanDerWaalsContact O-CD2 3.24Å; S370-Y408 WeakPolarHBondContact O-CD2 3.29Å; S370-Y408 WeakPolarHBondContact O-CE2 3.41Å; K372-Y408 HydrophobicContact CB-CD1 4.14Å; K372-Y408 HydrophobicContact CB-CD2 4.28Å; K372-Y408 HydrophobicContact CB-CE1 3.75Å; K372-Y408 HydrophobicContact CB-CE2 3.9Å; K372-Y408 HydrophobicContact CB-CG 4.39Å; K372-Y408 HydrophobicContact CD-CE1 3.93Å; K372-Y408 HydrophobicContact CG-CD1 4.05Å; K372-Y408 HydrophobicContact CG-CE1 3.56Å; Y406-Y408 PolarHBondContact O-N 2.82Å; Y408-R410 VanDerWaalsContact C-N 3.3Å; Y408-R410 PolarHBondContact O-N 2.9Å |
| 409 | Y | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -85.5 | 3.7 | -178.8 | -65.3 | -69.2 | 0 | 0 | 0 | 113.7 | K372 P373 Y377 L380 I402 Y406 P407 E411 W416 | K372-Y409 WeakPolarHBondContact CE-OH 3.44Å; P373-Y409 HydrophobicContact CG-CE2 4.04Å; Y377-Y409 HydrophobicContact CE1-CE1 4.17Å; L380-Y409 HydrophobicContact CD1-CE2 3.75Å; I402-Y409 HydrophobicContact CG2-CD2 3.42Å; I402-Y409 VanDerWaalsContact CG2-CD2 3.42Å; I402-Y409 HydrophobicContact CG2-CE2 4.16Å; I402-Y409 HydrophobicContact CG2-CG 3.63Å; Y406-Y409 PolarHBondContact O-N 2.83Å; P407-Y409 PolarHBondContact O-N 3.35Å; P407-Y409 VanDerWaalsContact O-N 3.09Å; Y409-E411 VanDerWaalsContact C-N 3.25Å; Y409-E411 PolarHBondContact O-N 2.97Å; Y409-W416 HydrophobicContact CD1-CB 3.94Å; Y409-W416 AromaticContact CD1-CD1 3.81Å; Y409-W416 AromaticContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CE3 4.48Å; Y409-W416 AromaticContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CE1-CB 4.15Å; Y409-W416 HydrophobicContact CE1-CG 4.34Å; Y409-W416 HydrophobicContact CG-CD2 4.4Å; Y409-W416 WeakPolarHBondContact O-CZ2 3.47Å; Y409-W416 PolarHBondContact O-NE1 2.67Å |
| 410 | R | 94.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 67.8 Ų | 67.8 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -69 | -27.1 | 172.9 | -65.5 | 173.1 | -174.9 | -179.6 | 4.9 | 111.7 | M403 D404 P407 Y408 K413 | M403-R410 HydrophobicContact CB-CG 4.14Å; M403-R410 PolarHBondContact O-NE 2.83Å; M403-R410 PolarHBondContact O-NH2 3.37Å; D404-R410 PolarHBondContact O-NH2 3.25Å; P407-R410 WeakPolarHBondContact O-CB 3.32Å; P407-R410 VanDerWaalsContact O-CG 3.26Å; P407-R410 WeakPolarHBondContact O-CG 3.46Å; P407-R410 PolarHBondContact O-N 3.49Å; Y408-R410 VanDerWaalsContact C-N 3.3Å; Y408-R410 PolarHBondContact O-N 2.9Å; R410-K413 WeakPolarHBondContact O-CE 3.41Å |
| 411 | E | 90.7 | Very high | 95.2 | Very high | 139 Ų | 139 | 64 Ų | 64 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -88.7 | 172 | 174.2 | -62.2 | -170.1 | 177.3 | 0 | 0 | 113 | Y409 K413 W416 | Y409-E411 VanDerWaalsContact C-N 3.25Å; Y409-E411 PolarHBondContact O-N 2.97Å; E411-K413 PolarHBondContact O-N 2.87Å; E411-W416 PolarHBondContact O-NE1 2.87Å; E411-W416 VanDerWaalsContact O-NE1 3.07Å |
| 412 | N | 88.2 | Confident | 95.2 | Very high | 135 Ų | 135 | 66.9 Ų | 66.9 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 48.2 | 33.1 | 168.3 | -71 | -62.8 | 0 | 0 | 0 | 115.4 | Q414 G415 | N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact O-N 3.47Å; N412-G415 PolarHBondContact O-N 3.44Å |
| 413 | K | 90.4 | Very high | 95.2 | Very high | 102 Ų | 102 | 68 Ų | 68 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -47.1 | -46.3 | -165.6 | -64.9 | -174 | -175.2 | -176.1 | 0 | 114 | M403 R410 E411 G415 W416 Q417 | M403-K413 HydrophobicContact SD-CD 4.09Å; R410-K413 WeakPolarHBondContact O-CE 3.41Å; E411-K413 PolarHBondContact O-N 2.87Å; K413-G415 VanDerWaalsContact C-N 3.29Å; K413-G415 PolarHBondContact O-N 3.47Å; K413-W416 HydrophobicContact CG-CZ2 4.5Å; K413-Q417 WeakPolarHBondContact O-CB 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.18Å; K413-Q417 PolarHBondContact O-N 3.18Å |
| 414 | Q | 92.8 | Very high | 95.3 | Very high | 137 Ų | 137 | 66.8 Ų | 66.8 | 64% | 0.64 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.2 | -35 | -176.4 | -180 | 65 | -33.7 | 0 | 0 | 113.5 | N412 N418 | N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact O-N 3.47Å; Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.86Å; Q414-N418 VanDerWaalsContact O-N 3.16Å |
| 415 | G | 95.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 66.3 Ų | 66.3 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.4 | -57.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N412 K413 N418 S419 | N412-G415 PolarHBondContact O-N 3.44Å; K413-G415 VanDerWaalsContact C-N 3.29Å; K413-G415 PolarHBondContact O-N 3.47Å; G415-N418 PolarHBondContact O-N 2.83Å; G415-S419 PolarHBondContact O-N 2.82Å; G415-S419 PolarHBondContact O-OG 3.4Å |
| 416 | W | 96.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.4 | -33.5 | -179.2 | 67.4 | -102.2 | 0 | 0 | 0 | 112.1 | Y377 Y399 I402 M403 Y409 E411 K413 N418 S419 I420 | Y377-W416 HydrophobicContact CE1-CB 4.19Å; Y399-W416 HydrophobicContact CD1-CH2 4.3Å; Y399-W416 AromaticContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CG-CH2 4.45Å; I402-W416 HydrophobicContact CB-CZ3 4.42Å; I402-W416 HydrophobicContact CD1-CZ3 4.46Å; I402-W416 HydrophobicContact CG2-CH2 4.43Å; I402-W416 HydrophobicContact CG2-CZ3 4.15Å; M403-W416 HydrophobicContact CG-CH2 3.92Å; M403-W416 HydrophobicContact CG-CZ2 3.71Å; M403-W416 HydrophobicContact SD-CH2 4.45Å; M403-W416 HydrophobicContact SD-CZ2 4.08Å; Y409-W416 HydrophobicContact CD1-CB 3.94Å; Y409-W416 AromaticContact CD1-CD1 3.81Å; Y409-W416 AromaticContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CE3 4.48Å; Y409-W416 AromaticContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CE1-CB 4.15Å; Y409-W416 HydrophobicContact CE1-CG 4.34Å; Y409-W416 HydrophobicContact CG-CD2 4.4Å; Y409-W416 WeakPolarHBondContact O-CZ2 3.47Å; Y409-W416 PolarHBondContact O-NE1 2.67Å; E411-W416 PolarHBondContact O-NE1 2.87Å; E411-W416 VanDerWaalsContact O-NE1 3.07Å; K413-W416 HydrophobicContact CG-CZ2 4.5Å; W416-N418 VanDerWaalsContact C-N 3.27Å; W416-N418 PolarHBondContact O-N 3.38Å; W416-S419 CarbonylContact O-C 3.56Å; W416-S419 WeakPolarHBondContact O-CA 3.48Å; W416-S419 VanDerWaalsContact O-CB 3.31Å; W416-S419 WeakPolarHBondContact O-CB 3.44Å; W416-S419 PolarHBondContact O-N 3.49Å; W416-I420 HydrophobicContact CE3-CG1 3.9Å; W416-I420 HydrophobicContact CZ3-CG1 4.2Å; W416-I420 WeakPolarHBondContact O-CG1 3.37Å; W416-I420 PolarHBondContact O-N 3.36Å |
| 417 | Q | 97.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -32.5 | 174.2 | -69.8 | 179.7 | 5.4 | 0 | 0 | 112 | Y399 K413 S419 I420 R421 | Y399-Q417 HydrophobicContact CD1-CB 4.36Å; Y399-Q417 HydrophobicContact CD1-CG 3.77Å; Y399-Q417 HydrophobicContact CD2-CG 4.3Å; Y399-Q417 HydrophobicContact CE1-CB 3.72Å; Y399-Q417 HydrophobicContact CE1-CG 3.64Å; Y399-Q417 HydrophobicContact CE2-CB 4.43Å; Y399-Q417 HydrophobicContact CE2-CG 4.19Å; Y399-Q417 HydrophobicContact CG-CG 4.1Å; K413-Q417 WeakPolarHBondContact O-CB 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.18Å; K413-Q417 PolarHBondContact O-N 3.18Å; Q417-S419 VanDerWaalsContact C-N 3.34Å; Q417-I420 PolarHBondContact O-N 2.74Å; Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 2.83Å; Q417-R421 PolarHBondContact O-NH1 3.26Å |
| 418 | N | 97.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 171 | -157.7 | 52.1 | 0 | 0 | 0 | 111.8 | Q414 G415 W416 I420 R421 H422 | Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.86Å; Q414-N418 VanDerWaalsContact O-N 3.16Å; G415-N418 PolarHBondContact O-N 2.83Å; W416-N418 VanDerWaalsContact C-N 3.27Å; W416-N418 PolarHBondContact O-N 3.38Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 2.83Å; N418-R421 PolarHBondContact O-N 3.28Å; N418-R421 PolarHBondContact OD1-NH2 3Å; N418-H422 VanDerWaalsContact O-CB 3.3Å; N418-H422 WeakPolarHBondContact O-CB 3.48Å; N418-H422 PolarHBondContact O-N 2.84Å |
| 419 | S | 97.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | G415 W416 Q417 N423 | G415-S419 PolarHBondContact O-N 2.82Å; G415-S419 PolarHBondContact O-OG 3.4Å; W416-S419 CarbonylContact O-C 3.56Å; W416-S419 WeakPolarHBondContact O-CA 3.48Å; W416-S419 VanDerWaalsContact O-CB 3.31Å; W416-S419 WeakPolarHBondContact O-CB 3.44Å; W416-S419 PolarHBondContact O-N 3.49Å; Q417-S419 VanDerWaalsContact C-N 3.34Å; S419-N423 WeakPolarHBondContact O-CB 3.26Å; S419-N423 PolarHBondContact O-N 2.97Å; S419-N423 PolarHBondContact O-ND2 3.39Å |
| 420 | I | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -51.1 | 174 | -67.9 | -68.8 | 0 | 0 | 0 | 110.9 | Y377 I381 L395 I398 Y399 I402 W416 Q417 N418 H422 N423 L424 | Y377-I420 HydrophobicContact CD1-CD1 3.87Å; Y377-I420 HydrophobicContact CD1-CG1 4.41Å; Y377-I420 HydrophobicContact CG-CD1 4.41Å; I381-I420 HydrophobicContact CD1-CD1 4.09Å; I381-I420 HydrophobicContact CD1-CG2 4.33Å; I381-I420 HydrophobicContact CG1-CD1 3.82Å; I381-I420 HydrophobicContact CG1-CG2 4.26Å; L395-I420 HydrophobicContact CD1-CG2 4.23Å; I398-I420 HydrophobicContact CG2-CG2 3.99Å; Y399-I420 HydrophobicContact CD1-CG2 4.35Å; Y399-I420 HydrophobicContact CE1-CB 4.27Å; Y399-I420 HydrophobicContact CE1-CG2 3.98Å; I402-I420 HydrophobicContact CD1-CD1 3.59Å; I402-I420 HydrophobicContact CD1-CG1 4.21Å; W416-I420 HydrophobicContact CE3-CG1 3.9Å; W416-I420 HydrophobicContact CZ3-CG1 4.2Å; W416-I420 WeakPolarHBondContact O-CG1 3.37Å; W416-I420 PolarHBondContact O-N 3.36Å; Q417-I420 PolarHBondContact O-N 2.74Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 2.83Å; I420-H422 VanDerWaalsContact C-N 3.3Å; I420-H422 PolarHBondContact O-N 3.07Å; I420-N423 PolarHBondContact O-N 3.15Å; I420-N423 VanDerWaalsContact O-N 3.15Å; I420-L424 HydrophobicContact CG2-CD1 4.03Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.88Å |
| 421 | R | 98.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.1 | -46.7 | 176.3 | -70.4 | -176.6 | -60.2 | -98.7 | 15.1 | 111.6 | L395 Y399 Q417 N418 L424 S425 | L395-R421 HydrophobicContact CD1-CG 4.08Å; L395-R421 HydrophobicContact CD2-CG 4.05Å; Y399-R421 WeakPolarHBondContact OH-CG 3.24Å; Y399-R421 PolarHBondContact OH-NH1 3.2Å; Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 2.83Å; Q417-R421 PolarHBondContact O-NH1 3.26Å; N418-R421 PolarHBondContact O-N 3.28Å; N418-R421 PolarHBondContact OD1-NH2 3Å; R421-L424 PolarHBondContact O-N 2.88Å; R421-S425 PolarHBondContact O-N 2.9Å; R421-S425 VanDerWaalsContact O-N 3.1Å; R421-S425 PolarHBondContact O-OG 3.2Å |
| 422 | H | 97.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.468 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 176.3 | 173.6 | 65.7 | 0 | 0 | 0 | 112.1 | N418 I420 L424 S425 L426 | N418-H422 VanDerWaalsContact O-CB 3.3Å; N418-H422 WeakPolarHBondContact O-CB 3.48Å; N418-H422 PolarHBondContact O-N 2.84Å; I420-H422 VanDerWaalsContact C-N 3.3Å; I420-H422 PolarHBondContact O-N 3.07Å; H422-L424 PolarHBondContact O-N 3.28Å; H422-S425 WeakPolarHBondContact CA-OG 3.1Å; H422-S425 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-OG 2.91Å; H422-L426 VanDerWaalsContact CE1-CD1 3.44Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.3Å; H422-L426 WeakPolarHBondContact O-CB 3.4Å; H422-L426 PolarHBondContact O-N 3.3Å |
| 423 | N | 97 | Very high | 95.4 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | -179.8 | -86.4 | -89.1 | 0 | 0 | 0 | 113.5 | I378 I381 S419 I420 L426 N427 | I378-N423 WeakPolarHBondContact CG1-OD1 3.46Å; I381-N423 HydrophobicContact CD1-CB 3.81Å; S419-N423 WeakPolarHBondContact O-CB 3.26Å; S419-N423 PolarHBondContact O-N 2.97Å; S419-N423 PolarHBondContact O-ND2 3.39Å; I420-N423 PolarHBondContact O-N 3.15Å; I420-N423 VanDerWaalsContact O-N 3.15Å; N423-L426 PolarHBondContact O-N 2.87Å; N423-N427 PolarHBondContact O-N 3.48Å; N423-N427 VanDerWaalsContact O-N 3.12Å; N423-N427 PolarHBondContact O-ND2 2.79Å; N423-N427 PolarHBondContact OD1-ND2 2.77Å |
| 424 | L | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.2 | -72 | 167.7 | 0 | 0 | 0 | 111.7 | I381 L395 I398 I420 R421 H422 F430 W446 | I381-L424 HydrophobicContact CD1-CD2 4.1Å; I381-L424 HydrophobicContact CD1-CG 3.96Å; I381-L424 HydrophobicContact CG1-CD2 4.42Å; I381-L424 HydrophobicContact CG2-CD2 3.6Å; L395-L424 HydrophobicContact CD1-CD1 3.58Å; I398-L424 HydrophobicContact CD1-CD1 4.11Å; I398-L424 HydrophobicContact CD1-CD2 4.15Å; I420-L424 HydrophobicContact CG2-CD1 4.03Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.88Å; R421-L424 PolarHBondContact O-N 2.88Å; H422-L424 PolarHBondContact O-N 3.28Å; L424-F430 HydrophobicContact CD2-CB 3.96Å; L424-F430 HydrophobicContact CD2-CD2 4.21Å; L424-F430 HydrophobicContact CD2-CG 4.01Å; L424-W446 HydrophobicContact CB-CD2 4.29Å; L424-W446 HydrophobicContact CB-CE3 4.12Å; L424-W446 HydrophobicContact CB-CH2 3.86Å; L424-W446 HydrophobicContact CB-CZ2 4.05Å; L424-W446 HydrophobicContact CB-CZ3 3.89Å; L424-W446 HydrophobicContact CD1-CD2 4.26Å; L424-W446 HydrophobicContact CD1-CG 4.42Å; L424-W446 HydrophobicContact CD2-CB 4.28Å; L424-W446 HydrophobicContact CD2-CD2 3.85Å; L424-W446 HydrophobicContact CD2-CE3 3.88Å; L424-W446 HydrophobicContact CD2-CG 4.03Å; L424-W446 HydrophobicContact CD2-CZ3 4.48Å; L424-W446 HydrophobicContact CG-CD2 4.37Å; L424-W446 HydrophobicContact CG-CE3 4.5Å; L424-W446 WeakPolarHBondContact O-CZ3 3.5Å |
| 425 | S | 95.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 49 Ų | 49 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -76.7 | -21.1 | 176.7 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | R421 H422 | R421-S425 PolarHBondContact O-N 2.9Å; R421-S425 VanDerWaalsContact O-N 3.1Å; R421-S425 PolarHBondContact O-OG 3.2Å; H422-S425 WeakPolarHBondContact CA-OG 3.1Å; H422-S425 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-OG 2.91Å |
| 426 | L | 93.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -94.5 | -32.6 | -172.9 | 179.8 | 145.9 | 0 | 0 | 0 | 113.2 | H422 N423 R467 | H422-L426 VanDerWaalsContact CE1-CD1 3.44Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.3Å; H422-L426 WeakPolarHBondContact O-CB 3.4Å; H422-L426 PolarHBondContact O-N 3.3Å; N423-L426 PolarHBondContact O-N 2.87Å; L426-R467 PolarHBondContact O-NH2 3.49Å |
| 427 | N | 93.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.059 | 31% | 0.306 | C | S | . | . | trans | -104.2 | 116.4 | -172.4 | -61.3 | -84 | 0 | 0 | 0 | 111.4 | I378 N423 C429 F430 | I378-N427 WeakPolarHBondContact CD1-OD1 3.32Å; N423-N427 PolarHBondContact O-N 3.48Å; N423-N427 VanDerWaalsContact O-N 3.12Å; N423-N427 PolarHBondContact O-ND2 2.79Å; N423-N427 PolarHBondContact OD1-ND2 2.77Å; N427-C429 PolarHBondContact O-N 2.84Å; N427-F430 HydrophobicContact CB-CD2 4.03Å; N427-F430 HydrophobicContact CB-CE2 4.22Å; N427-F430 PolarHBondContact O-N 3.03Å | ||
| 428 | D | 91.5 | Very high | 94 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -9.8 | -179 | -35.8 | 13.7 | 0 | 0 | 0 | 113.6 | F430 R467 F468 K469 T470 T473 | D428-F430 VanDerWaalsContact C-N 3.34Å; D428-R467 IonicContact OD1-CZ 3.97Å; D428-R467 IonicContact OD1-NE 2.67Å; D428-R467 IonicContact OD1-NH2 3.09Å; D428-R467 PolarHBondContact OD1-NH2 3.01Å; D428-F468 HydrophobicContact CB-CD1 4.23Å; D428-K469 WeakPolarHBondContact OD2-CA 3.09Å; D428-K469 WeakPolarHBondContact OD2-CG 3.12Å; D428-T470 HydrophobicContact CB-CG2 4.5Å; D428-T473 WeakPolarHBondContact OD2-CG2 3.25Å |
| 429 | C | 92.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.3 | 173 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | N427 L448 H449 A452 F468 | N427-C429 PolarHBondContact O-N 2.84Å; C429-L448 HydrophobicContact CB-CD1 4.28Å; C429-L448 CarbonylContact O-C 3.54Å; C429-L448 WeakPolarHBondContact O-CA 3.44Å; C429-L448 WeakPolarHBondContact O-CD1 3.32Å; C429-H449 PolarHBondContact O-N 2.73Å; C429-A452 HydrophobicContact CB-CB 3.64Å; C429-F468 HydrophobicContact CB-CB 3.97Å; C429-F468 HydrophobicContact CB-CD1 3.54Å; C429-F468 HydrophobicContact CB-CE1 4.24Å; C429-F468 HydrophobicContact CB-CG 3.87Å |
| 430 | F | 95.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 69 Ų | 69 | 5% | 0.048 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.9 | 178 | -57.3 | -52.6 | 0 | 0 | 0 | 110.2 | I378 I381 I385 L424 N427 D428 W446 T447 L448 | I378-F430 HydrophobicContact CB-CE2 4.48Å; I378-F430 HydrophobicContact CB-CZ 4.47Å; I378-F430 HydrophobicContact CG1-CE2 4.46Å; I378-F430 HydrophobicContact CG2-CE2 4.14Å; I378-F430 HydrophobicContact CG2-CZ 3.88Å; I378-F430 WeakPolarHBondContact O-CZ 2.84Å; I381-F430 HydrophobicContact CB-CE1 4.08Å; I381-F430 HydrophobicContact CB-CE2 4.2Å; I381-F430 HydrophobicContact CB-CZ 3.76Å; I381-F430 HydrophobicContact CD1-CD2 4.5Å; I381-F430 HydrophobicContact CD1-CE2 4.03Å; I381-F430 HydrophobicContact CD1-CZ 4.45Å; I381-F430 HydrophobicContact CG2-CD1 3.7Å; I381-F430 HydrophobicContact CG2-CD2 4.23Å; I381-F430 HydrophobicContact CG2-CE1 3.39Å; I381-F430 HydrophobicContact CG2-CE2 3.95Å; I381-F430 HydrophobicContact CG2-CG 4.12Å; I381-F430 HydrophobicContact CG2-CZ 3.53Å; I385-F430 HydrophobicContact CD1-CD1 3.97Å; I385-F430 HydrophobicContact CD1-CE1 4.3Å; L424-F430 HydrophobicContact CD2-CB 3.96Å; L424-F430 HydrophobicContact CD2-CD2 4.21Å; L424-F430 HydrophobicContact CD2-CG 4.01Å; N427-F430 HydrophobicContact CB-CD2 4.03Å; N427-F430 HydrophobicContact CB-CE2 4.22Å; N427-F430 PolarHBondContact O-N 3.03Å; D428-F430 VanDerWaalsContact C-N 3.34Å; F430-W446 HydrophobicContact CB-CE3 4.19Å; F430-T447 WeakPolarHBondContact CA-O 3.16Å; F430-L448 HydrophobicContact CD1-CD1 4.14Å; F430-L448 HydrophobicContact CE1-CD1 3.87Å |
| 431 | V | 95.2 | Very high | 91.9 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130 | -176.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | V433 W446 T447 H449 | V431-V433 HydrophobicContact CG1-CG2 4.38Å; V431-W446 WeakPolarHBondContact O-CA 3.22Å; V431-T447 PolarHBondContact N-O 3.36Å; V431-T447 PolarHBondContact O-N 3.04Å; V431-T447 PolarHBondContact O-OG1 3.05Å; V431-H449 HydrophobicContact CG2-CB 4.04Å |
| 432 | K | 96.5 | Very high | 91.5 | Very high | 137 Ų | 137 | 77.2 Ų | 77.2 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 111.2 | 174.5 | -177.9 | -168.8 | 169.3 | -164.6 | 0 | 109.2 | S444 W446 | K432-S444 WeakPolarHBondContact CE-OG 3.3Å; K432-W446 HydrophobicContact CB-CE3 4.09Å; K432-W446 HydrophobicContact CB-CH2 3.94Å; K432-W446 HydrophobicContact CB-CZ2 4.35Å; K432-W446 HydrophobicContact CB-CZ3 3.8Å; K432-W446 HydrophobicContact CG-CH2 4.35Å; K432-W446 HydrophobicContact CG-CZ2 4.31Å |
| 433 | V | 94.2 | Very high | 91.2 | Very high | 49 Ų | 49 | 74.9 Ų | 74.9 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.8 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | V431 S444 F445 T447 | V431-V433 HydrophobicContact CG1-CG2 4.38Å; V433-S444 VanDerWaalsContact O-CB 3.3Å; V433-S444 WeakPolarHBondContact O-CB 3.43Å; V433-F445 HydrophobicContact CB-CB 4.24Å; V433-F445 PolarHBondContact N-O 3.34Å; V433-F445 PolarHBondContact O-N 3.42Å; V433-T447 HydrophobicContact CG2-CG2 3.83Å; V433-T447 WeakPolarHBondContact CG2-OG1 3.39Å |
| 434 | P | 93.6 | Very high | 91.1 | Very high | 96 Ų | 96 | 75.1 Ų | 75.1 | 62% | 0.623 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 169.9 | 174.5 | 27.1 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 435 | R | 92.1 | Very high | 91.1 | Very high | 68 Ų | 68 | 76.8 Ų | 76.8 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 154.1 | 167.5 | -68 | -174.7 | -177.5 | -97.7 | 2 | 109 | G441 K442 G443 F445 | R435-G441 WeakPolarHBondContact CD-O 3.45Å; R435-G441 VanDerWaalsContact NE-C 3.29Å; R435-G441 PolarHBondContact NE-O 2.95Å; R435-G441 VanDerWaalsContact NE-O 3.08Å; R435-K442 PolarHBondContact NH2-O 2.85Å; R435-G443 WeakPolarHBondContact CD-O 3.31Å; R435-G443 PolarHBondContact NE-O 3.49Å; R435-F445 HydrophobicContact CG-CD2 4.05Å; R435-F445 HydrophobicContact CG-CE2 3.93Å |
| 436 | D | 88.4 | Confident | 91.2 | Very high | 97 Ų | 97 | 74.3 Ų | 74.3 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 133.1 | 165.9 | -33 | -67 | 0 | 0 | 0 | 109.1 | T438 K439 | D436-T438 PolarHBondContact O-N 2.79Å; D436-T438 VanDerWaalsContact O-N 3.08Å; D436-K439 PolarHBondContact O-N 3.34Å |
| 437 | D | 84.6 | Confident | 91.3 | Very high | 152 Ų | 152 | 72.9 Ų | 72.9 | 81% | 0.813 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.9 | -178.3 | -59.3 | -62.8 | 0 | 0 | 0 | 113.1 | K439 | D437-K439 PolarHBondContact O-N 3.27Š|
| 438 | T | 85.9 | Confident | 91.3 | Very high | 119 Ų | 119 | 72.8 Ų | 72.8 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.3 | 172.4 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | D436 | D436-T438 PolarHBondContact O-N 2.79Å; D436-T438 VanDerWaalsContact O-N 3.08Å |
| 439 | K | 79.5 | Confident | 91.4 | Very high | 147 Ų | 147 | 72.9 Ų | 72.9 | 64% | 0.639 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -132 | 69.5 | -176.4 | -69.8 | 177.9 | -176.9 | 169.8 | 0 | 110.9 | D436 D437 G441 | D436-K439 PolarHBondContact O-N 3.34Å; D437-K439 PolarHBondContact O-N 3.27Å; K439-G441 PolarHBondContact O-N 2.86Å |
| 440 | P | 82.5 | Confident | 91.2 | Very high | 122 Ų | 122 | 77.3 Ų | 77.3 | 79% | 0.792 | 43% | 0.429 | S | S | * | . | trans | -56.9 | 124.9 | -179.8 | 23.9 | -34.4 | 0 | 0 | 0 | 110.9 | ||||
| 441 | G | 87 | Confident | 90.7 | Very high | 41 Ų | 41 | 82.7 Ų | 82.7 | 42% | 0.423 | 45% | 0.454 | S | S | . | . | trans | -160 | 154.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R435 K439 G443 | R435-G441 WeakPolarHBondContact CD-O 3.45Å; R435-G441 VanDerWaalsContact NE-C 3.29Å; R435-G441 PolarHBondContact NE-O 2.95Å; R435-G441 VanDerWaalsContact NE-O 3.08Å; K439-G441 PolarHBondContact O-N 2.86Å; G441-G443 PolarHBondContact O-N 3.48Å | ||
| 442 | K | 88.8 | Confident | 90.3 | Very high | 206 Ų | 206 | 80.2 Ų | 80.2 | 90% | 0.896 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -67.3 | 124.2 | -172.9 | -170.5 | 169 | -176 | 170.1 | 0 | 112.1 | R435 | R435-K442 PolarHBondContact NH2-O 2.85Š|
| 443 | G | 91.6 | Very high | 89.6 | Confident | 53 Ų | 53 | 77 Ų | 77 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 66.8 | -176.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R435 G441 | R435-G443 WeakPolarHBondContact CD-O 3.31Å; R435-G443 PolarHBondContact NE-O 3.49Å; G441-G443 PolarHBondContact O-N 3.48Å |
| 444 | S | 95.2 | Very high | 88.9 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | trans | -92.4 | 165.2 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | K432 V433 | K432-S444 WeakPolarHBondContact CE-OG 3.3Å; V433-S444 VanDerWaalsContact O-CB 3.3Å; V433-S444 WeakPolarHBondContact O-CB 3.43Å | ||
| 445 | F | 96.1 | Very high | 88.3 | Confident | 39 Ų | 39 | 78.6 Ų | 78.6 | 17% | 0.171 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 157.5 | 160.4 | -69.1 | -72.5 | 0 | 0 | 0 | 110.3 | K392 A393 T394 V433 R435 | K392-F445 HydrophobicContact CB-CB 4.36Å; K392-F445 HydrophobicContact CG-CB 4.32Å; K392-F445 HydrophobicContact CG-CD1 3.79Å; K392-F445 HydrophobicContact CG-CE1 4.25Å; K392-F445 HydrophobicContact CG-CG 4.08Å; A393-F445 CarbonylContact O-C 3.59Å; T394-F445 HydrophobicContact CG2-CD1 3.69Å; T394-F445 HydrophobicContact CG2-CE1 3.65Å; V433-F445 HydrophobicContact CB-CB 4.24Å; V433-F445 PolarHBondContact N-O 3.34Å; V433-F445 PolarHBondContact O-N 3.42Å; R435-F445 HydrophobicContact CG-CD2 4.05Å; R435-F445 HydrophobicContact CG-CE2 3.93Å |
| 446 | W | 97.4 | Very high | 87.6 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 15% | 0.148 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126 | 172.6 | -67.1 | 91.3 | 0 | 0 | 0 | 108.6 | I385 K392 A393 I398 L424 F430 V431 K432 | I385-W446 HydrophobicContact CD1-CB 4.46Å; K392-W446 WeakPolarHBondContact CA-O 3.07Å; A393-W446 PolarHBondContact N-O 3.38Å; A393-W446 PolarHBondContact O-N 2.79Å; I398-W446 HydrophobicContact CD1-CB 4.39Å; L424-W446 HydrophobicContact CB-CD2 4.29Å; L424-W446 HydrophobicContact CB-CE3 4.12Å; L424-W446 HydrophobicContact CB-CH2 3.86Å; L424-W446 HydrophobicContact CB-CZ2 4.05Å; L424-W446 HydrophobicContact CB-CZ3 3.89Å; L424-W446 HydrophobicContact CD1-CD2 4.26Å; L424-W446 HydrophobicContact CD1-CG 4.42Å; L424-W446 HydrophobicContact CD2-CB 4.28Å; L424-W446 HydrophobicContact CD2-CD2 3.85Å; L424-W446 HydrophobicContact CD2-CE3 3.88Å; L424-W446 HydrophobicContact CD2-CG 4.03Å; L424-W446 HydrophobicContact CD2-CZ3 4.48Å; L424-W446 HydrophobicContact CG-CD2 4.37Å; L424-W446 HydrophobicContact CG-CE3 4.5Å; L424-W446 WeakPolarHBondContact O-CZ3 3.5Å; F430-W446 HydrophobicContact CB-CE3 4.19Å; V431-W446 WeakPolarHBondContact O-CA 3.22Å; K432-W446 HydrophobicContact CB-CE3 4.09Å; K432-W446 HydrophobicContact CB-CH2 3.94Å; K432-W446 HydrophobicContact CB-CZ2 4.35Å; K432-W446 HydrophobicContact CB-CZ3 3.8Å; K432-W446 HydrophobicContact CG-CH2 4.35Å; K432-W446 HydrophobicContact CG-CZ2 4.31Å |
| 447 | T | 95.7 | Very high | 86.8 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 19% | 0.19 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 164.3 | 174.7 | 51 | 0 | 0 | 0 | 0 | 110.2 | K392 F430 V431 V433 | K392-T447 HydrophobicContact CB-CG2 3.47Å; K392-T447 VanDerWaalsContact CB-CG2 3.47Å; F430-T447 WeakPolarHBondContact CA-O 3.16Å; V431-T447 PolarHBondContact N-O 3.36Å; V431-T447 PolarHBondContact O-N 3.04Å; V431-T447 PolarHBondContact O-OG1 3.05Å; V433-T447 HydrophobicContact CG2-CG2 3.83Å; V433-T447 WeakPolarHBondContact CG2-OG1 3.39Å |
| 448 | L | 93.9 | Very high | 86 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 139.7 | 165 | -167.8 | 66.6 | 0 | 0 | 0 | 109 | I385 C429 F430 A452 H453 F456 | I385-L448 HydrophobicContact CG2-CB 4.42Å; C429-L448 HydrophobicContact CB-CD1 4.28Å; C429-L448 CarbonylContact O-C 3.54Å; C429-L448 WeakPolarHBondContact O-CA 3.44Å; C429-L448 WeakPolarHBondContact O-CD1 3.32Å; F430-L448 HydrophobicContact CD1-CD1 4.14Å; F430-L448 HydrophobicContact CE1-CD1 3.87Å; L448-A452 HydrophobicContact CD1-CB 4.03Å; L448-A452 HydrophobicContact CG-CB 4.09Å; L448-H453 HydrophobicContact CD2-CB 4.33Å; L448-H453 PolarHBondContact O-CE1 2.69Å; L448-F456 HydrophobicContact CD1-CD2 4.43Å; L448-F456 HydrophobicContact CD1-CE2 3.91Å; L448-F456 HydrophobicContact CD2-CD2 4.04Å; L448-F456 HydrophobicContact CD2-CE2 4.34Å |
| 449 | H | 92.5 | Very high | 85.2 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | trans | -61.2 | 140.5 | 174.6 | -167.7 | -97.2 | 0 | 0 | 0 | 109.6 | C429 V431 E451 A452 H453 F468 | C429-H449 PolarHBondContact O-N 2.73Å; V431-H449 HydrophobicContact CG2-CB 4.04Å; H449-E451 IonicContact CE1-OE2 2.78Å; H449-E451 PolarHBondContact CE1-OE2 3.43Å; H449-E451 IonicContact ND1-OE2 3.13Å; H449-E451 PolarHBondContact ND1-OE2 3.03Å; H449-E451 PolarHBondContact O-N 2.87Å; H449-A452 HydrophobicContact CB-CB 4.02Å; H449-A452 WeakPolarHBondContact O-CA 3.42Å; H449-A452 WeakPolarHBondContact O-CB 3.24Å; H449-A452 PolarHBondContact O-N 3.16Å; H449-H453 PolarHBondContact O-CE1 2.8Å; H449-H453 PolarHBondContact O-ND1 2.91Å; H449-F468 HydrophobicContact CB-CE1 4.04Å; H449-F468 HydrophobicContact CB-CZ 4.27Å; H449-F468 AromaticContact ND1-CE1 3.91Å; H449-F468 AromaticContact ND1-CZ 3.49Å; H449-F468 WeakPolarHBondContact ND1-CZ 3.46Å | ||
| 450 | P | 89.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 61% | 0.61 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -49.2 | -52.5 | -177.1 | -31.4 | 37.1 | 0 | 0 | 0 | 113.4 | A452 H453 | P450-A452 PolarHBondContact O-N 3.01Å; P450-H453 PolarHBondContact O-N 3.07Å; P450-H453 PolarHBondContact O-ND1 2.94Å |
| 451 | E | 85.2 | Confident | 84.7 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -63 | -13.1 | 177.5 | -57.1 | 164.7 | 167.7 | 0 | 0 | 114.8 | H449 F468 | H449-E451 IonicContact CE1-OE2 2.78Å; H449-E451 PolarHBondContact CE1-OE2 3.43Å; H449-E451 IonicContact ND1-OE2 3.13Å; H449-E451 PolarHBondContact ND1-OE2 3.03Å; H449-E451 PolarHBondContact O-N 2.87Å; E451-F468 HydrophobicContact CB-CE2 3.87Å; E451-F468 HydrophobicContact CB-CZ 3.9Å; E451-F468 WeakPolarHBondContact OE2-CZ 3.39Å |
| 452 | A | 85.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -96.8 | -4.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C429 L448 H449 P450 M455 F456 F468 | C429-A452 HydrophobicContact CB-CB 3.64Å; L448-A452 HydrophobicContact CD1-CB 4.03Å; L448-A452 HydrophobicContact CG-CB 4.09Å; H449-A452 HydrophobicContact CB-CB 4.02Å; H449-A452 WeakPolarHBondContact O-CA 3.42Å; H449-A452 WeakPolarHBondContact O-CB 3.24Å; H449-A452 PolarHBondContact O-N 3.16Å; P450-A452 PolarHBondContact O-N 3.01Å; A452-M455 HydrophobicContact CB-SD 4.2Å; A452-M455 WeakPolarHBondContact O-CB 3.47Å; A452-M455 WeakPolarHBondContact O-CG 3.34Å; A452-M455 PolarHBondContact O-N 2.9Å; A452-F456 WeakPolarHBondContact O-CD2 3.2Å; A452-F468 HydrophobicContact CB-CD1 4.38Å; A452-F468 HydrophobicContact CB-CD2 4.02Å; A452-F468 HydrophobicContact CB-CE1 4.31Å; A452-F468 HydrophobicContact CB-CE2 3.97Å; A452-F468 HydrophobicContact CB-CG 4.24Å; A452-F468 HydrophobicContact CB-CZ 4.14Å |
| 453 | H | 82.6 | Confident | 83.4 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.5 | -51.4 | 176.6 | -68.9 | 74 | 0 | 0 | 0 | 111 | L448 H449 P450 M455 F456 D457 | L448-H453 HydrophobicContact CD2-CB 4.33Å; L448-H453 PolarHBondContact O-CE1 2.69Å; H449-H453 PolarHBondContact O-CE1 2.8Å; H449-H453 PolarHBondContact O-ND1 2.91Å; P450-H453 PolarHBondContact O-N 3.07Å; P450-H453 PolarHBondContact O-ND1 2.94Å; H453-M455 PolarHBondContact O-N 3.46Å; H453-F456 PolarHBondContact O-N 3.41Å; H453-D457 VanDerWaalsContact O-CG 3.29Å; H453-D457 PolarHBondContact O-N 3.04Å |
| 454 | N | 80.4 | Confident | 82.4 | Confident | 125 Ų | 125 | 68.7 Ų | 68.7 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -53.7 | -10.2 | 176.3 | -53.8 | 45 | 0 | 0 | 0 | 114.8 | D457 | N454-D457 VanDerWaalsContact CA-OD2 3.23Å; N454-D457 WeakPolarHBondContact CA-OD2 3.5Å; N454-D457 PolarHBondContact N-OD2 3.01Å |
| 455 | M | 79.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -81.7 | -11 | 174.5 | -51.8 | -168 | 99.4 | 0 | 0 | 114.3 | A452 H453 R464 F468 | A452-M455 HydrophobicContact CB-SD 4.2Å; A452-M455 WeakPolarHBondContact O-CB 3.47Å; A452-M455 WeakPolarHBondContact O-CG 3.34Å; A452-M455 PolarHBondContact O-N 2.9Å; H453-M455 PolarHBondContact O-N 3.46Å; M455-R464 VanDerWaalsContact SD-CZ 3.54Å; M455-R464 PolarHBondContact SD-NH2 3.09Å; M455-R464 VanDerWaalsContact SD-NH2 3.45Å; M455-F468 HydrophobicContact CE-CB 3.99Å; M455-F468 HydrophobicContact CE-CD2 4.16Å; M455-F468 HydrophobicContact SD-CB 3.65Å; M455-F468 HydrophobicContact SD-CD2 3.57Å; M455-F468 VanDerWaalsContact SD-CD2 3.57Å; M455-F468 HydrophobicContact SD-CG 3.93Å |
| 456 | F | 77.5 | Confident | 80 | Confident | 4 Ų | 4 | 85.9 Ų | 85.9 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -23.5 | -173.7 | -58.6 | -79.2 | 0 | 0 | 0 | 113.5 | I378 A382 L448 A452 H453 N458 G459 Y461 | I378-F456 HydrophobicContact CG2-CE1 4.41Å; I378-F456 HydrophobicContact CG2-CZ 3.91Å; A382-F456 HydrophobicContact CB-CD1 3.84Å; A382-F456 HydrophobicContact CB-CD2 4Å; A382-F456 HydrophobicContact CB-CE1 3.64Å; A382-F456 HydrophobicContact CB-CE2 3.81Å; A382-F456 HydrophobicContact CB-CG 3.99Å; A382-F456 HydrophobicContact CB-CZ 3.59Å; L448-F456 HydrophobicContact CD1-CD2 4.43Å; L448-F456 HydrophobicContact CD1-CE2 3.91Å; L448-F456 HydrophobicContact CD2-CD2 4.04Å; L448-F456 HydrophobicContact CD2-CE2 4.34Å; A452-F456 WeakPolarHBondContact O-CD2 3.2Å; H453-F456 PolarHBondContact O-N 3.41Å; F456-N458 PolarHBondContact O-N 3.48Å; F456-N458 VanDerWaalsContact O-N 3.12Å; F456-G459 PolarHBondContact O-N 3.36Å; F456-Y461 HydrophobicContact CB-CD1 4.43Å; F456-Y461 HydrophobicContact CB-CE1 3.83Å; F456-Y461 AromaticContact CD1-CD1 3.84Å; F456-Y461 HydrophobicContact CD1-CD1 3.84Å; F456-Y461 AromaticContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CG-CE1 4.22Å |
| 457 | D | 71.2 | Confident | 79 | Confident | 90 Ų | 90 | 90.3 Ų | 90.3 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -36.7 | -176.2 | -58.9 | -25.4 | 0 | 0 | 0 | 113.7 | H453 N454 G459 | H453-D457 VanDerWaalsContact O-CG 3.29Å; H453-D457 PolarHBondContact O-N 3.04Å; N454-D457 VanDerWaalsContact CA-OD2 3.23Å; N454-D457 WeakPolarHBondContact CA-OD2 3.5Å; N454-D457 PolarHBondContact N-OD2 3.01Å; D457-G459 PolarHBondContact O-N 3.38Å |
| 458 | N | 68.4 | Low | 78.3 | Confident | 148 Ų | 148 | 89.9 Ų | 89.9 | 79% | 0.791 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 23 | 176.3 | -59.3 | 14.4 | 0 | 0 | 0 | 113.8 | F456 S460 | F456-N458 PolarHBondContact O-N 3.48Å; F456-N458 VanDerWaalsContact O-N 3.12Å; N458-S460 PolarHBondContact O-N 2.88Å |
| 459 | G | 69.4 | Low | 77.5 | Confident | 51 Ų | 51 | 94 Ų | 94 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 63.7 | 3.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F456 D457 Y461 | F456-G459 PolarHBondContact O-N 3.36Å; D457-G459 PolarHBondContact O-N 3.38Å; G459-Y461 VanDerWaalsContact O-CD2 3.32Å; G459-Y461 WeakPolarHBondContact O-CD2 3.48Å; G459-Y461 PolarHBondContact O-N 2.83Å |
| 460 | S | 71.8 | Confident | 76.7 | Confident | 62 Ų | 62 | 93 Ų | 93 | 43% | 0.434 | 45% | 0.445 | S | S | . | . | trans | -83.2 | 62.9 | -169.3 | -152.9 | 0 | 0 | 0 | 0 | 112.7 | N458 L462 | N458-S460 PolarHBondContact O-N 2.88Å; S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 VanDerWaalsContact O-N 3.1Å | ||
| 461 | Y | 80.2 | Confident | 75.8 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 20% | 0.204 | 45% | 0.447 | C | S | . | . | trans | -70.9 | 6.1 | 173.3 | -65 | -71.9 | 0 | 0 | 0 | 113.7 | A379 A382 M383 F456 G459 | A379-Y461 HydrophobicContact CB-CD1 4.34Å; A379-Y461 WeakPolarHBondContact CB-O 3.5Å; A382-Y461 HydrophobicContact CB-CE1 4.35Å; M383-Y461 HydrophobicContact CB-CE1 4.45Å; M383-Y461 HydrophobicContact CG-CD1 3.34Å; M383-Y461 HydrophobicContact CG-CD2 4.19Å; M383-Y461 HydrophobicContact CG-CE1 3.31Å; M383-Y461 HydrophobicContact CG-CE2 4.18Å; M383-Y461 HydrophobicContact CG-CG 3.8Å; M383-Y461 HydrophobicContact SD-CD1 3.92Å; M383-Y461 HydrophobicContact SD-CD2 4.04Å; M383-Y461 HydrophobicContact SD-CE1 4.35Å; M383-Y461 HydrophobicContact SD-CE2 4.48Å; M383-Y461 HydrophobicContact SD-CG 3.74Å; F456-Y461 HydrophobicContact CB-CD1 4.43Å; F456-Y461 HydrophobicContact CB-CE1 3.83Å; F456-Y461 AromaticContact CD1-CD1 3.84Å; F456-Y461 HydrophobicContact CD1-CD1 3.84Å; F456-Y461 AromaticContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CG-CE1 4.22Å; G459-Y461 VanDerWaalsContact O-CD2 3.32Å; G459-Y461 WeakPolarHBondContact O-CD2 3.48Å; G459-Y461 PolarHBondContact O-N 2.83Å | ||
| 462 | L | 77.1 | Confident | 74.7 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 55% | 0.55 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -73.6 | 171.5 | 173.2 | -61.5 | 178.5 | 0 | 0 | 0 | 111.8 | S460 R464 | S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 VanDerWaalsContact O-N 3.1Å; L462-R464 PolarHBondContact O-N 2.89Å |
| 463 | R | 70 | Confident | 73.4 | Confident | 226 Ų | 226 | 95.1 Ų | 95.1 | 85% | 0.853 | 46% | 0.456 | S | S | * | . | trans | -67.4 | 103.8 | -174.9 | -175.9 | -175.7 | 176.2 | -146.1 | 1.5 | 112 | ||||
| 464 | R | 71.1 | Confident | 72.2 | Confident | 59 Ų | 59 | 93.8 Ų | 93.8 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | trans | -60 | 139 | 176.5 | -65.8 | -163.8 | -87.9 | 103.6 | -19 | 113.1 | M455 L462 R466 | M455-R464 VanDerWaalsContact SD-CZ 3.54Å; M455-R464 PolarHBondContact SD-NH2 3.09Å; M455-R464 VanDerWaalsContact SD-NH2 3.45Å; L462-R464 PolarHBondContact O-N 2.89Å; R464-R466 PolarHBondContact NH1-O 3.03Å | ||
| 465 | K | 69.4 | Low | 71.4 | Confident | 208 Ų | 208 | 91.4 Ų | 91.4 | 90% | 0.904 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -74.1 | -25.4 | 179.2 | -69.5 | -177.5 | 178.1 | 178.3 | 0 | 114.5 | ||
| 466 | R | 71.7 | Confident | 70.7 | Confident | 220 Ų | 220 | 94.9 Ų | 94.9 | 83% | 0.83 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -121.1 | 142.1 | 176.4 | -86.9 | -176.9 | 159 | 115.7 | -3.5 | 111.2 | R464 | R464-R466 PolarHBondContact NH1-O 3.03Š|
| 467 | R | 77.1 | Confident | 70.1 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | trans | -78.7 | 141 | 171.9 | 170.4 | 169.6 | 164.7 | -179.8 | -1.6 | 109.5 | L426 D428 | L426-R467 PolarHBondContact O-NH2 3.49Å; D428-R467 IonicContact OD1-CZ 3.97Å; D428-R467 IonicContact OD1-NE 2.67Å; D428-R467 IonicContact OD1-NH2 3.09Å; D428-R467 PolarHBondContact OD1-NH2 3.01Å | ||
| 468 | F | 79.4 | Confident | 70.2 | Confident | 21 Ų | 21 | 103.1 Ų | 103.1 | 9% | 0.092 | 49% | 0.485 | C | S | . | . | trans | -74.6 | 142.2 | 170.4 | -176.8 | -96.4 | 0 | 0 | 0 | 109.9 | D428 C429 H449 E451 A452 M455 T470 | D428-F468 HydrophobicContact CB-CD1 4.23Å; C429-F468 HydrophobicContact CB-CB 3.97Å; C429-F468 HydrophobicContact CB-CD1 3.54Å; C429-F468 HydrophobicContact CB-CE1 4.24Å; C429-F468 HydrophobicContact CB-CG 3.87Å; H449-F468 HydrophobicContact CB-CE1 4.04Å; H449-F468 HydrophobicContact CB-CZ 4.27Å; H449-F468 AromaticContact ND1-CE1 3.91Å; H449-F468 AromaticContact ND1-CZ 3.49Å; H449-F468 WeakPolarHBondContact ND1-CZ 3.46Å; E451-F468 HydrophobicContact CB-CE2 3.87Å; E451-F468 HydrophobicContact CB-CZ 3.9Å; E451-F468 WeakPolarHBondContact OE2-CZ 3.39Å; A452-F468 HydrophobicContact CB-CD1 4.38Å; A452-F468 HydrophobicContact CB-CD2 4.02Å; A452-F468 HydrophobicContact CB-CE1 4.31Å; A452-F468 HydrophobicContact CB-CE2 3.97Å; A452-F468 HydrophobicContact CB-CG 4.24Å; A452-F468 HydrophobicContact CB-CZ 4.14Å; M455-F468 HydrophobicContact CE-CB 3.99Å; M455-F468 HydrophobicContact CE-CD2 4.16Å; M455-F468 HydrophobicContact SD-CB 3.65Å; M455-F468 HydrophobicContact SD-CD2 3.57Å; M455-F468 VanDerWaalsContact SD-CD2 3.57Å; M455-F468 HydrophobicContact SD-CG 3.93Å; F468-T470 HydrophobicContact CE1-CG2 3.51Å; F468-T470 HydrophobicContact CZ-CG2 3.91Å | ||
| 469 | K | 78.5 | Confident | 70.4 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | trans | -153.4 | 123.8 | -179.3 | -177.8 | -163.9 | 168.4 | -155.8 | 0 | 108.2 | D428 T473 | D428-K469 WeakPolarHBondContact OD2-CA 3.09Å; D428-K469 WeakPolarHBondContact OD2-CG 3.12Å; K469-T473 WeakPolarHBondContact CE-OG1 3.33Å; K469-T473 WeakPolarHBondContact CG-OG1 3.23Å | ||
| 470 | T | 75.5 | Confident | 70.7 | Confident | 14 Ų | 14 | 99.6 Ų | 99.6 | 9% | 0.086 | 46% | 0.463 | C | S | . | . | trans | -79.2 | 150.4 | 175.4 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | D428 F468 L472 T473 | D428-T470 HydrophobicContact CB-CG2 4.5Å; F468-T470 HydrophobicContact CE1-CG2 3.51Å; F468-T470 HydrophobicContact CZ-CG2 3.91Å; T470-L472 PolarHBondContact O-N 3.19Å; T470-T473 PolarHBondContact O-N 3.22Å; T470-T473 PolarHBondContact O-OG1 3.45Å | ||
| 471 | D | 68.9 | Low | 70.9 | Confident | 121 Ų | 121 | 102 Ų | 102 | 65% | 0.647 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | 175 | -82.8 | -49.8 | 0 | 0 | 0 | 114.1 | T473 S474 T475 | D471-T473 PolarHBondContact O-N 2.86Å; D471-S474 WeakPolarHBondContact CA-OG 3.31Å; D471-S474 PolarHBondContact O-N 2.96Å; D471-S474 VanDerWaalsContact O-N 3.08Å; D471-S474 PolarHBondContact O-OG 2.82Å; D471-S474 PolarHBondContact OD1-OG 3.35Å; D471-T475 PolarHBondContact O-N 2.82Å; D471-T475 PolarHBondContact O-OG1 2.9Å |
| 472 | L | 62.2 | Low | 70.8 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.4 | -40.2 | 161.5 | -63.8 | 174.5 | 0 | 0 | 0 | 110.5 | T470 S474 T475 E476 | T470-L472 PolarHBondContact O-N 3.19Å; L472-S474 VanDerWaalsContact C-N 3.32Å; L472-S474 PolarHBondContact O-N 3.15Å; L472-T475 CarbonylContact O-C 3.59Å; L472-T475 WeakPolarHBondContact O-CB 3.33Å; L472-T475 PolarHBondContact O-N 2.81Å; L472-E476 WeakPolarHBondContact O-CG 3.26Å; L472-E476 PolarHBondContact O-N 3.12Å |
| 473 | T | 58.6 | Low | 71.1 | Confident | 22 Ų | 22 | 105.9 Ų | 105.9 | 14% | 0.135 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -78.8 | -8.3 | 175.4 | 77.1 | 0 | 0 | 0 | 0 | 114.3 | D428 K469 T470 D471 R477 | D428-T473 WeakPolarHBondContact OD2-CG2 3.25Å; K469-T473 WeakPolarHBondContact CE-OG1 3.33Å; K469-T473 WeakPolarHBondContact CG-OG1 3.23Å; T470-T473 PolarHBondContact O-N 3.22Å; T470-T473 PolarHBondContact O-OG1 3.45Å; D471-T473 PolarHBondContact O-N 2.86Å; T473-R477 WeakPolarHBondContact O-CB 3.09Å; T473-R477 WeakPolarHBondContact O-CD 2.98Å; T473-R477 WeakPolarHBondContact O-CG 3.4Å; T473-R477 PolarHBondContact O-NE 3.25Å; T473-R477 VanDerWaalsContact O-NE 3.09Å |
| 474 | S | 57.5 | Low | 71.7 | Confident | 43 Ų | 43 | 102.8 Ų | 102.8 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -81.2 | -39.6 | 163.6 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | D471 L472 R477 Y478 | D471-S474 WeakPolarHBondContact CA-OG 3.31Å; D471-S474 PolarHBondContact O-N 2.96Å; D471-S474 VanDerWaalsContact O-N 3.08Å; D471-S474 PolarHBondContact O-OG 2.82Å; D471-S474 PolarHBondContact OD1-OG 3.35Å; L472-S474 VanDerWaalsContact C-N 3.32Å; L472-S474 PolarHBondContact O-N 3.15Å; S474-R477 PolarHBondContact O-N 2.7Å; S474-Y478 WeakPolarHBondContact O-CB 3.37Å; S474-Y478 PolarHBondContact O-N 2.89Å |
| 475 | T | 64.3 | Low | 72.2 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 174.8 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | D471 L472 R477 Y478 C479 | D471-T475 PolarHBondContact O-N 2.82Å; D471-T475 PolarHBondContact O-OG1 2.9Å; L472-T475 CarbonylContact O-C 3.59Å; L472-T475 WeakPolarHBondContact O-CB 3.33Å; L472-T475 PolarHBondContact O-N 2.81Å; T475-R477 VanDerWaalsContact C-N 3.32Å; T475-R477 PolarHBondContact O-N 3.44Å; T475-Y478 CarbonylContact O-C 3.6Å; T475-Y478 WeakPolarHBondContact O-CB 3.12Å; T475-Y478 PolarHBondContact O-N 3.18Å; T475-Y478 VanDerWaalsContact O-N 3.11Å; T475-C479 PolarHBondContact O-N 2.98Å; T475-C479 PolarHBondContact O-SG 2.9Å; T475-C479 VanDerWaalsContact O-SG 3.41Å |
| 476 | E | 65.9 | Low | 72.9 | Confident | 127 Ų | 127 | 99.1 Ų | 99.1 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 176.1 | -72.8 | 180 | 151.1 | 0 | 0 | 112.3 | L472 S480 | L472-E476 WeakPolarHBondContact O-CG 3.26Å; L472-E476 PolarHBondContact O-N 3.12Å; E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.43Å; E476-S480 PolarHBondContact O-N 2.94Å; E476-S480 PolarHBondContact O-OG 3.19Å |
| 477 | R | 64 | Low | 73.6 | Confident | 139 Ų | 139 | 93.3 Ų | 93.3 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 173.1 | -73.7 | 176.5 | -147.5 | -148 | 2 | 111.4 | T473 S474 T475 S480 M481 | T473-R477 WeakPolarHBondContact O-CB 3.09Å; T473-R477 WeakPolarHBondContact O-CD 2.98Å; T473-R477 WeakPolarHBondContact O-CG 3.4Å; T473-R477 PolarHBondContact O-NE 3.25Å; T473-R477 VanDerWaalsContact O-NE 3.09Å; S474-R477 PolarHBondContact O-N 2.7Å; T475-R477 VanDerWaalsContact C-N 3.32Å; T475-R477 PolarHBondContact O-N 3.44Å; R477-S480 PolarHBondContact O-N 2.88Å; R477-M481 WeakPolarHBondContact O-CB 3.32Å; R477-M481 PolarHBondContact O-N 3.44Å |
| 478 | Y | 72.3 | Confident | 73.9 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 50% | 0.502 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.5 | 179.5 | -102.7 | 0 | 0 | 0 | 111.7 | S474 T475 M481 K482 | S474-Y478 WeakPolarHBondContact O-CB 3.37Å; S474-Y478 PolarHBondContact O-N 2.89Å; T475-Y478 CarbonylContact O-C 3.6Å; T475-Y478 WeakPolarHBondContact O-CB 3.12Å; T475-Y478 PolarHBondContact O-N 3.18Å; T475-Y478 VanDerWaalsContact O-N 3.11Å; Y478-M481 PolarHBondContact O-N 2.85Å; Y478-K482 HydrophobicContact CD1-CD 4.27Å; Y478-K482 HydrophobicContact CE1-CD 3.7Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 WeakPolarHBondContact O-CB 3.18Å; Y478-K482 PolarHBondContact O-N 3.41Å; Y478-K482 WeakPolarHBondContact OH-CE 3.41Å; Y478-K482 PolarHBondContact OH-NZ 3.42Å |
| 479 | C | 73 | Confident | 74.2 | Confident | 45 Ų | 45 | 95.3 Ų | 95.3 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 173 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | T475 K482 K483 C619 | T475-C479 PolarHBondContact O-N 2.98Å; T475-C479 PolarHBondContact O-SG 2.9Å; T475-C479 VanDerWaalsContact O-SG 3.41Å; C479-K482 PolarHBondContact O-N 3.43Å; C479-K483 WeakPolarHBondContact O-CB 2.96Å; C479-K483 PolarHBondContact O-N 2.78Å; C479-C619 VanDerWaalsContact SG-SG 3.66Å |
| 480 | S | 75.3 | Confident | 74.5 | Confident | 79 Ų | 79 | 94.6 Ų | 94.6 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | E476 R477 K483 R484 | E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.43Å; E476-S480 PolarHBondContact O-N 2.94Å; E476-S480 PolarHBondContact O-OG 3.19Å; R477-S480 PolarHBondContact O-N 2.88Å; S480-K483 PolarHBondContact O-N 3.49Å; S480-R484 WeakPolarHBondContact O-CB 3.16Å; S480-R484 PolarHBondContact O-N 2.85Å |
| 481 | M | 77 | Confident | 75.2 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.4 | -45.9 | 175.1 | -172.9 | -178 | -64.8 | 0 | 0 | 110.6 | R477 Y478 K483 R484 N485 | R477-M481 WeakPolarHBondContact O-CB 3.32Å; R477-M481 PolarHBondContact O-N 3.44Å; Y478-M481 PolarHBondContact O-N 2.85Å; M481-K483 VanDerWaalsContact C-N 3.33Å; M481-K483 PolarHBondContact O-N 2.73Å; M481-R484 PolarHBondContact O-N 3.42Å; M481-N485 WeakPolarHBondContact O-CB 3.47Å; M481-N485 PolarHBondContact O-N 2.91Å; M481-N485 PolarHBondContact O-OD1 2.79Å |
| 482 | K | 78.9 | Confident | 75.9 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 170.8 | -88.9 | -174.3 | 159.2 | 175.4 | 0 | 112.2 | Y478 C479 N485 F486 | Y478-K482 HydrophobicContact CD1-CD 4.27Å; Y478-K482 HydrophobicContact CE1-CD 3.7Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 WeakPolarHBondContact O-CB 3.18Å; Y478-K482 PolarHBondContact O-N 3.41Å; Y478-K482 WeakPolarHBondContact OH-CE 3.41Å; Y478-K482 PolarHBondContact OH-NZ 3.42Å; C479-K482 PolarHBondContact O-N 3.43Å; K482-N485 PolarHBondContact O-N 3.2Å; K482-F486 VanDerWaalsContact O-CB 3.25Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 3.11Å |
| 483 | K | 83 | Confident | 77 | Confident | 147 Ų | 147 | 95 Ų | 95 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 176 | -173.9 | 172.7 | -178.7 | 175.7 | 0 | 111.7 | C479 S480 M481 I487 | C479-K483 WeakPolarHBondContact O-CB 2.96Å; C479-K483 PolarHBondContact O-N 2.78Å; S480-K483 PolarHBondContact O-N 3.49Å; M481-K483 VanDerWaalsContact C-N 3.33Å; M481-K483 PolarHBondContact O-N 2.73Å; K483-I487 HydrophobicContact CG-CD1 4.11Å; K483-I487 WeakPolarHBondContact O-CD1 3.43Å; K483-I487 VanDerWaalsContact O-CG1 3.24Å; K483-I487 WeakPolarHBondContact O-CG1 3.4Å; K483-I487 PolarHBondContact O-N 3.4Å |
| 484 | R | 82.5 | Confident | 78.2 | Confident | 161 Ų | 161 | 96.8 Ų | 96.8 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.3 | -51.5 | 173.8 | -178.4 | 178.7 | 172.5 | 115.7 | 9.7 | 111.3 | S480 M481 F486 I487 E488 | S480-R484 WeakPolarHBondContact O-CB 3.16Å; S480-R484 PolarHBondContact O-N 2.85Å; M481-R484 PolarHBondContact O-N 3.42Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.09Å; R484-I487 CarbonylContact O-C 3.56Å; R484-I487 WeakPolarHBondContact O-CA 3.45Å; R484-I487 WeakPolarHBondContact O-CB 3.26Å; R484-I487 PolarHBondContact O-N 3.45Å; R484-E488 HydrophobicContact CG-CG 4.34Å; R484-E488 IonicContact CZ-OE1 2.69Å; R484-E488 IonicContact NE-OE1 2.73Å; R484-E488 PolarHBondContact NE-OE1 2.88Å; R484-E488 IonicContact NE-OE2 2.79Å; R484-E488 IonicContact NH2-OE1 3.35Å; R484-E488 PolarHBondContact NH2-OE1 2.93Å; R484-E488 PolarHBondContact O-N 3.25Å |
| 485 | N | 81.5 | Confident | 79.7 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | -179.6 | -65.7 | 17.1 | 0 | 0 | 0 | 111.2 | M481 K482 E488 E489 | M481-N485 WeakPolarHBondContact O-CB 3.47Å; M481-N485 PolarHBondContact O-N 2.91Å; M481-N485 PolarHBondContact O-OD1 2.79Å; K482-N485 PolarHBondContact O-N 3.2Å; N485-E488 PolarHBondContact O-N 3.02Å; N485-E489 VanDerWaalsContact O-CB 3.24Å; N485-E489 WeakPolarHBondContact O-CB 3.49Å; N485-E489 PolarHBondContact O-N 3.22Å |
| 486 | F | 84 | Confident | 80.7 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 174.3 | -178.7 | -104.1 | 0 | 0 | 0 | 112.4 | K482 R484 N490 | K482-F486 VanDerWaalsContact O-CB 3.25Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 3.11Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.09Å; F486-N490 VanDerWaalsContact CE1-ND2 3.33Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.27Å; F486-N490 VanDerWaalsContact CE2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.43Å; F486-N490 WeakPolarHBondContact O-CB 3.44Å; F486-N490 PolarHBondContact O-N 2.89Å; F486-N490 PolarHBondContact O-ND2 2.86Å |
| 487 | I | 86.5 | Confident | 81.5 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 173.3 | -69.8 | 163.8 | 0 | 0 | 0 | 110.6 | K483 R484 N490 L491 | K483-I487 HydrophobicContact CG-CD1 4.11Å; K483-I487 WeakPolarHBondContact O-CD1 3.43Å; K483-I487 VanDerWaalsContact O-CG1 3.24Å; K483-I487 WeakPolarHBondContact O-CG1 3.4Å; K483-I487 PolarHBondContact O-N 3.4Å; R484-I487 CarbonylContact O-C 3.56Å; R484-I487 WeakPolarHBondContact O-CA 3.45Å; R484-I487 WeakPolarHBondContact O-CB 3.26Å; R484-I487 PolarHBondContact O-N 3.45Å; I487-N490 PolarHBondContact O-N 3.38Å; I487-L491 VanDerWaalsContact O-CB 3.23Å; I487-L491 WeakPolarHBondContact O-CB 3.44Å; I487-L491 PolarHBondContact O-N 3.46Å |
| 488 | E | 83.9 | Confident | 82.2 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177 | -72.5 | 176.9 | 164.1 | 0 | 0 | 112.1 | R484 N485 L491 M492 | R484-E488 HydrophobicContact CG-CG 4.34Å; R484-E488 IonicContact CZ-OE1 2.69Å; R484-E488 IonicContact NE-OE1 2.73Å; R484-E488 PolarHBondContact NE-OE1 2.88Å; R484-E488 IonicContact NE-OE2 2.79Å; R484-E488 IonicContact NH2-OE1 3.35Å; R484-E488 PolarHBondContact NH2-OE1 2.93Å; R484-E488 PolarHBondContact O-N 3.25Å; N485-E488 PolarHBondContact O-N 3.02Å; E488-L491 PolarHBondContact O-N 3.1Å; E488-M492 WeakPolarHBondContact O-CB 3.37Å; E488-M492 VanDerWaalsContact O-CG 3.26Å; E488-M492 WeakPolarHBondContact O-CG 3.3Å; E488-M492 PolarHBondContact O-N 3.45Å |
| 489 | E | 84.6 | Confident | 82.5 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 176.3 | -177.1 | 177.9 | -173.2 | 0 | 0 | 111.6 | N485 L491 M492 N493 | N485-E489 VanDerWaalsContact O-CB 3.24Å; N485-E489 WeakPolarHBondContact O-CB 3.49Å; N485-E489 PolarHBondContact O-N 3.22Å; E489-L491 VanDerWaalsContact C-N 3.35Å; E489-L491 PolarHBondContact O-N 2.98Å; E489-M492 PolarHBondContact O-N 2.86Å; E489-N493 VanDerWaalsContact O-CB 3.26Å; E489-N493 WeakPolarHBondContact O-CB 3.39Å; E489-N493 VanDerWaalsContact O-CG 3.22Å; E489-N493 PolarHBondContact O-N 3.5Å; E489-N493 PolarHBondContact O-ND2 2.82Å |
| 490 | N | 85.7 | Confident | 82.7 | Confident | 80 Ų | 80 | 101 Ų | 101 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.1 | -79.2 | -67.5 | 0 | 0 | 0 | 112.2 | F486 I487 N493 S494 | F486-N490 VanDerWaalsContact CE1-ND2 3.33Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.27Å; F486-N490 VanDerWaalsContact CE2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.43Å; F486-N490 WeakPolarHBondContact O-CB 3.44Å; F486-N490 PolarHBondContact O-N 2.89Å; F486-N490 PolarHBondContact O-ND2 2.86Å; I487-N490 PolarHBondContact O-N 3.38Å; N490-N493 PolarHBondContact O-N 2.92Å; N490-S494 WeakPolarHBondContact O-CB 3.42Å; N490-S494 PolarHBondContact O-N 3.5Å |
| 491 | L | 89.1 | Confident | 82.5 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 174.4 | 180 | 61.2 | 0 | 0 | 0 | 111.1 | I487 E488 E489 N493 S494 I495 | I487-L491 VanDerWaalsContact O-CB 3.23Å; I487-L491 WeakPolarHBondContact O-CB 3.44Å; I487-L491 PolarHBondContact O-N 3.46Å; E488-L491 PolarHBondContact O-N 3.1Å; E489-L491 VanDerWaalsContact C-N 3.35Å; E489-L491 PolarHBondContact O-N 2.98Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.13Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 3.27Å; L491-I495 HydrophobicContact CD1-CD1 4.2Å; L491-I495 HydrophobicContact CG-CD1 4.01Å; L491-I495 VanDerWaalsContact O-CG1 3.32Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 2.8Å |
| 492 | M | 84.6 | Confident | 81.6 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 50% | 0.502 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 176.9 | -72.3 | -61.3 | -71.3 | 0 | 0 | 112.3 | E488 E489 I495 K496 | E488-M492 WeakPolarHBondContact O-CB 3.37Å; E488-M492 VanDerWaalsContact O-CG 3.26Å; E488-M492 WeakPolarHBondContact O-CG 3.3Å; E488-M492 PolarHBondContact O-N 3.45Å; E489-M492 PolarHBondContact O-N 2.86Å; M492-I495 PolarHBondContact O-N 2.89Å; M492-I495 HydrophobicContact SD-CD1 4.32Å; M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 VanDerWaalsContact O-CG 3.25Å; M492-K496 WeakPolarHBondContact O-CG 3.29Å; M492-K496 PolarHBondContact O-N 3.4Å |
| 493 | N | 84 | Confident | 80.6 | Confident | 61 Ų | 61 | 104.9 Ų | 104.9 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.7 | -31.1 | 174.6 | -72.8 | -25.3 | 0 | 0 | 0 | 112.4 | E489 N490 L491 K497 | E489-N493 VanDerWaalsContact O-CB 3.26Å; E489-N493 WeakPolarHBondContact O-CB 3.39Å; E489-N493 VanDerWaalsContact O-CG 3.22Å; E489-N493 PolarHBondContact O-N 3.5Å; E489-N493 PolarHBondContact O-ND2 2.82Å; N490-N493 PolarHBondContact O-N 2.92Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.13Å; N493-K497 WeakPolarHBondContact O-CB 3.44Å; N493-K497 VanDerWaalsContact O-CG 3.29Å; N493-K497 WeakPolarHBondContact O-CG 3.46Å; N493-K497 PolarHBondContact O-N 2.98Å |
| 494 | S | 85.2 | Confident | 78.7 | Confident | 59 Ų | 59 | 102.5 Ų | 102.5 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 170.2 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | N490 L491 K497 N498 | N490-S494 WeakPolarHBondContact O-CB 3.42Å; N490-S494 PolarHBondContact O-N 3.5Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 3.27Å; S494-K497 PolarHBondContact O-N 3.14Å; S494-N498 PolarHBondContact O-N 3.01Å; S494-N498 PolarHBondContact O-ND2 2.97Å |
| 495 | I | 87.8 | Confident | 77.2 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 174.8 | -68.3 | 164.6 | 0 | 0 | 0 | 110.6 | L491 M492 K497 N498 L499 | L491-I495 HydrophobicContact CD1-CD1 4.2Å; L491-I495 HydrophobicContact CG-CD1 4.01Å; L491-I495 VanDerWaalsContact O-CG1 3.32Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 2.8Å; M492-I495 PolarHBondContact O-N 2.89Å; M492-I495 HydrophobicContact SD-CD1 4.32Å; I495-K497 PolarHBondContact O-N 3.23Å; I495-N498 PolarHBondContact O-N 3.1Å; I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.44Å; I495-L499 WeakPolarHBondContact O-CG 3.49Å; I495-L499 PolarHBondContact O-N 3.2Å |
| 496 | K | 85.9 | Confident | 75.6 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 174.8 | -75.9 | 172.1 | -179.3 | 177.7 | 0 | 112.2 | M492 N498 L499 L500 | M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 VanDerWaalsContact O-CG 3.25Å; M492-K496 WeakPolarHBondContact O-CG 3.29Å; M492-K496 PolarHBondContact O-N 3.4Å; K496-N498 PolarHBondContact O-N 3.05Å; K496-L499 PolarHBondContact O-N 3.43Å; K496-L500 WeakPolarHBondContact O-CB 3.35Å; K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.11Å |
| 497 | K | 82.9 | Confident | 73.8 | Confident | 149 Ų | 149 | 106.4 Ų | 106.4 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 177 | -80.8 | 177.5 | 178.5 | 179.9 | 0 | 112.1 | N493 S494 I495 K501 | N493-K497 WeakPolarHBondContact O-CB 3.44Å; N493-K497 VanDerWaalsContact O-CG 3.29Å; N493-K497 WeakPolarHBondContact O-CG 3.46Å; N493-K497 PolarHBondContact O-N 2.98Å; S494-K497 PolarHBondContact O-N 3.14Å; I495-K497 PolarHBondContact O-N 3.23Å; K497-K501 WeakPolarHBondContact O-CB 3.49Å; K497-K501 PolarHBondContact O-N 2.89Å |
| 498 | N | 79.2 | Confident | 72 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.1 | -40 | 177.7 | -71.4 | -29.7 | 0 | 0 | 0 | 112.3 | S494 I495 K496 K501 N502 | S494-N498 PolarHBondContact O-N 3.01Å; S494-N498 PolarHBondContact O-ND2 2.97Å; I495-N498 PolarHBondContact O-N 3.1Å; K496-N498 PolarHBondContact O-N 3.05Å; N498-K501 PolarHBondContact O-N 2.86Å; N498-N502 WeakPolarHBondContact O-CB 3.38Å; N498-N502 PolarHBondContact O-N 3.41Å; N498-N502 PolarHBondContact O-OD1 3.2Å |
| 499 | L | 78.1 | Confident | 70 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.6 | -48.1 | 173.1 | -69.9 | 168.3 | 0 | 0 | 0 | 111.6 | I495 K496 K501 N502 N503 | I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.44Å; I495-L499 WeakPolarHBondContact O-CG 3.49Å; I495-L499 PolarHBondContact O-N 3.2Å; K496-L499 PolarHBondContact O-N 3.43Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 2.92Å; L499-N502 PolarHBondContact O-N 2.84Å; L499-N503 PolarHBondContact O-N 2.94Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-OD1 3.08Å |
| 500 | L | 76.4 | Confident | 68 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.5 | -39.6 | 174.2 | -77.6 | 162.1 | 0 | 0 | 0 | 112.5 | K496 C504 | K496-L500 WeakPolarHBondContact O-CB 3.35Å; K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.11Å; L500-C504 PolarHBondContact O-N 3.39Å; L500-C504 PolarHBondContact O-SG 2.98Å |
| 501 | K | 72 | Confident | 65.8 | Low | 155 Ų | 155 | 115.8 Ų | 115.8 | 67% | 0.674 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.4 | -25.5 | -178.2 | -161.8 | 172.4 | -172 | -179.4 | 0 | 113.3 | K497 N498 L499 | K497-K501 WeakPolarHBondContact O-CB 3.49Å; K497-K501 PolarHBondContact O-N 2.89Å; N498-K501 PolarHBondContact O-N 2.86Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 2.92Å |
| 502 | N | 58.9 | Low | 63.4 | Low | 89 Ų | 89 | 122.7 Ų | 122.7 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75.5 | -46.5 | 172.2 | -70 | -5.5 | 0 | 0 | 0 | 111 | N498 L499 C504 R505 | N498-N502 WeakPolarHBondContact O-CB 3.38Å; N498-N502 PolarHBondContact O-N 3.41Å; N498-N502 PolarHBondContact O-OD1 3.2Å; L499-N502 PolarHBondContact O-N 2.84Å; N502-C504 PolarHBondContact O-N 2.8Å; N502-C504 VanDerWaalsContact O-N 3.15Å; N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.98Å |
| 503 | N | 55.8 | Low | 61.4 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 65% | 0.647 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.4 | -30.9 | 178.6 | -70.8 | 8.9 | 0 | 0 | 0 | 113.1 | L499 R505 | L499-N503 PolarHBondContact O-N 2.94Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-OD1 3.08Å; N503-R505 VanDerWaalsContact C-N 3.27Å; N503-R505 PolarHBondContact O-N 3.41Å |
| 504 | C | 45 | Very low | 59 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.7 | -2.3 | 174.1 | -68.4 | 0 | 0 | 0 | 0 | 114.8 | L500 N502 | L500-C504 PolarHBondContact O-N 3.39Å; L500-C504 PolarHBondContact O-SG 2.98Å; N502-C504 PolarHBondContact O-N 2.8Å; N502-C504 VanDerWaalsContact O-N 3.15Å |
| 505 | R | 50.2 | Low | 56.6 | Low | 198 Ų | 198 | 132.7 Ų | 132.7 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -103.5 | -28.9 | -172.8 | -150 | 170.6 | -167.8 | 169.1 | 2 | 114 | N502 N503 | N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.98Å; N503-R505 VanDerWaalsContact C-N 3.27Å; N503-R505 PolarHBondContact O-N 3.41Å |
| 506 | D | 48.2 | Very low | 54.2 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.1 | -18.6 | -178.6 | -60 | -36.6 | 0 | 0 | 0 | 113 | L508 | D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.31Å |
| 507 | S | 46.6 | Very low | 51.9 | Low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 22.4 | -177 | -153.8 | 0 | 0 | 0 | 0 | 115 | ||
| 508 | L | 46.9 | Very low | 49.5 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 5.4 | -173.8 | -97.6 | 171.4 | 0 | 0 | 0 | 115.7 | D506 | D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.31Å |
| 509 | N | 43.8 | Very low | 47.4 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -104.4 | -8.5 | -176 | -77.8 | -30.2 | 0 | 0 | 0 | 115.6 | ||
| 510 | D | 41 | Very low | 45.2 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -121.5 | 40.5 | -159.1 | -152.8 | 15.7 | 0 | 0 | 0 | 115.7 | ||
| 511 | S | 40.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -141.6 | 37.6 | -178.1 | -61 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 512 | R | 38.6 | Very low | 41.2 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | -129.1 | 28 | -179.7 | -101.5 | -173.9 | 177.7 | -178.5 | 0.3 | 116.5 | ||||
| 513 | T | 41.9 | Very low | 40.2 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -139.7 | 116.3 | 170.3 | 41.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 514 | N | 34.5 | Very low | 39.2 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 59.8 | 98.2 | 144 | -50.9 | -31.7 | 0 | 0 | 0 | 120.7 | ||||
| 515 | L | 35.4 | Very low | 38.5 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | -167.7 | 102.7 | 126.8 | -125.9 | 63.3 | 0 | 0 | 0 | 107.2 | |||||
| 516 | A | 36.6 | Very low | 37.8 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 87.5 | 115.2 | 58.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 517 | L | 36.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | 55.3 | 93.3 | 149.7 | -62.1 | 172 | 0 | 0 | 0 | 118 | ||||
| 518 | T | 33.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | 76.5 | 119.7 | 90.5 | 56.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 519 | N | 34.5 | Very low | 35.9 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 66.9 | 139.5 | 160.5 | -43 | -23.5 | 0 | 0 | 0 | 115.6 | ||||
| 520 | G | 31.6 | Very low | 35.3 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 150.7 | 161.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 521 | I | 34.8 | Very low | 34.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | 77.9 | 102.9 | 173.6 | -50.4 | 174.6 | 0 | 0 | 0 | 116.1 | ||||
| 522 | D | 30.7 | Very low | 34.3 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -11.9 | 145.3 | 146.2 | -38.5 | -43.5 | 0 | 0 | 0 | 119.6 | ||||
| 523 | E | 36.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -147.5 | 108.4 | 144.4 | -137.8 | 169.3 | -136.1 | 0 | 0 | 114.2 | ||||
| 524 | T | 35.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 121.3 | 150.6 | 57.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 525 | N | 30.6 | Very low | 33.7 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 49.5 | 114.7 | 131.8 | -64.1 | -19.4 | 0 | 0 | 0 | 121.7 | ||||
| 526 | V | 35.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 141 Ų | 141 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -123.4 | 140.3 | 137.4 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | T528 | V526-T528 PolarHBondContact O-N 2.82Š| ||
| 527 | N | 32.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -55.2 | 122.8 | -177.9 | -96.5 | -0.4 | 0 | 0 | 0 | 112.3 | ||||
| 528 | T | 34.4 | Very low | 32.7 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 59% | 0.589 | 77% | 0.77 | S | S | * | * | 59 | 131.2 | 92.8 | 69.5 | 0 | 0 | 0 | 0 | 116.5 | V526 | V526-T528 PolarHBondContact O-N 2.82Š| |||
| 529 | N | 33.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | 76.5 | 150.4 | 165.7 | -55.4 | -19.8 | 0 | 0 | 0 | 116.9 | ||||
| 530 | Y | 31.9 | Very low | 32.2 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | cis | 177.3 | 129.7 | -36.6 | -135 | -76.1 | 0 | 0 | 0 | 105 | ||||
| 531 | G | 30.2 | Very low | 32 | Very low | 54 Ų | 54 | 146.7 Ų | 146.7 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | trans | 56.6 | 99.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 532 | D | 31.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | 59.4 | 59.9 | 83.5 | -58 | -48 | 0 | 0 | 0 | 114 | |||||
| 533 | D | 30.1 | Very low | 31.7 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -168.9 | 95.2 | 151.6 | -105.6 | -26.5 | 0 | 0 | 0 | 111.6 | ||||
| 534 | D | 34.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -168.1 | 143.8 | 174.9 | -105.9 | -36.2 | 0 | 0 | 0 | 108.1 | ||||
| 535 | N | 36.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | cis | -156.1 | 129.3 | -16.3 | -148.8 | -53.6 | 0 | 0 | 0 | 104 | ||||
| 536 | Y | 27.5 | Very low | 31.7 | Very low | 214 Ų | 214 | 145.1 Ų | 145.1 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | 51.8 | 143.1 | 72.8 | -102.5 | -87.8 | 0 | 0 | 0 | 115.9 | |||||
| 537 | G | 31.4 | Very low | 31.7 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 105.3 | 88.6 | -168 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 538 | N | 28.3 | Very low | 31.9 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | cis | 77.5 | 72.3 | 26.1 | -171.4 | 40.8 | 0 | 0 | 0 | 116.3 | ||||
| 539 | E | 32 | Very low | 32 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -147.1 | 130.5 | 147.6 | -103.1 | 168.1 | -159.9 | 0 | 0 | 105.9 | ||||
| 540 | R | 27.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | cis | 68 | 112.6 | 28.5 | -146.3 | -173 | -169.5 | 172.6 | 6.5 | 109.6 | ||||
| 541 | T | 27.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | cis | -138.4 | -174.9 | 30.6 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 542 | E | 28.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | cis | -163.5 | 179.6 | -46.8 | -94.4 | 145.2 | -159.3 | 0 | 0 | 108.2 | ||||
| 543 | Y | 30.4 | Very low | 32.6 | Very low | 215 Ų | 215 | 141 Ų | 141 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | 75.2 | 124.8 | 176.6 | -59.5 | -77.2 | 0 | 0 | 0 | 118.6 | ||||
| 544 | C | 34.4 | Very low | 33 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | cis | -153.3 | 170.8 | -10.2 | -146.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 545 | N | 31.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | trans | -83.1 | 173.5 | -174.7 | -48.1 | -47.3 | 0 | 0 | 0 | 113.2 | ||||
| 546 | D | 37.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 70% | 0.698 | S | S | * | * | -150.5 | 156 | 103.3 | -88 | -30.3 | 0 | 0 | 0 | 110 | |||||
| 547 | N | 34.5 | Very low | 33.9 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | trans | -115.1 | 179 | -164.2 | -68.2 | -62.1 | 0 | 0 | 0 | 113.7 | ||||
| 548 | D | 36.8 | Very low | 34.3 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | 142.7 | 98.6 | 138.4 | -70.8 | -0.9 | 0 | 0 | 0 | 109.5 | ||||
| 549 | D | 36.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | 87.4 | 142.6 | 81.5 | -99.3 | 8.6 | 0 | 0 | 0 | 114.4 | |||||
| 550 | S | 37 | Very low | 35 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | cis | -166.1 | 154 | -31.2 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 551 | N | 33 | Very low | 35.4 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | trans | 64.5 | 157.7 | 151.2 | -63.2 | -38.5 | 0 | 0 | 0 | 120.6 | ||||
| 552 | L | 34 | Very low | 35.7 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | cis | -154.6 | 153.4 | -1 | -148.2 | 75.5 | 0 | 0 | 0 | 113.9 | ||||
| 553 | S | 34.9 | Very low | 36 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | trans | -8.7 | 168 | 156.8 | 77.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 554 | D | 39.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | cis | -174.7 | 166.4 | 13.6 | -135.7 | -18.2 | 0 | 0 | 0 | 118.7 | ||||
| 555 | K | 36.4 | Very low | 36 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 49% | 0.491 | 68% | 0.68 | S | S | . | * | trans | 59.2 | 167.7 | 151.5 | -71.1 | -174.1 | -178 | 73.4 | 0 | 122.7 | V643 | K555-V643 VanDerWaalsContact O-CB 3.3Å; K555-V643 WeakPolarHBondContact O-CB 3.34Å; K555-V643 WeakPolarHBondContact O-CG1 3.17Å | ||
| 556 | D | 37.9 | Very low | 36.1 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 37% | 0.374 | 69% | 0.692 | S | S | . | * | cis | -169.6 | 166.5 | -28.1 | -105 | -40.7 | 0 | 0 | 0 | 107.8 | N640 F641 | D556-N640 PolarHBondContact OD1-ND2 2.82Å; D556-F641 VanDerWaalsContact N-CD1 3.26Å | ||
| 557 | K | 43.1 | Very low | 35.7 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 32% | 0.322 | 69% | 0.693 | S | S | . | * | cis | -164.1 | 168.7 | -26.2 | -159 | 162.8 | -172 | 151.8 | 0 | 111.7 | S639 N640 F641 | K557-S639 PolarHBondContact NZ-O 3.46Å; K557-S639 VanDerWaalsContact NZ-O 3.13Å; K557-N640 WeakPolarHBondContact CD-OD1 3.44Å; K557-N640 WeakPolarHBondContact CE-OD1 3.37Å; K557-N640 PolarHBondContact NZ-ND2 2.83Å; K557-N640 PolarHBondContact NZ-OD1 3.06Å; K557-F641 VanDerWaalsContact CA-CZ 3.47Å; K557-F641 HydrophobicContact CB-CE2 4.28Å; K557-F641 HydrophobicContact CG-CD2 4.34Å; K557-F641 HydrophobicContact CG-CE2 4.16Å | ||
| 558 | N | 38.8 | Very low | 35.4 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | 106.9 | 134.9 | 160.8 | -54.8 | -39.9 | 0 | 0 | 0 | 118.9 | ||||
| 559 | I | 35.9 | Very low | 35.1 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | cis | 97.7 | 135.6 | 23.4 | -63.9 | 166.9 | 0 | 0 | 0 | 112.4 | ||||
| 560 | T | 39.2 | Very low | 34.9 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | cis | -148.2 | 146.4 | 26.1 | 1.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 561 | K | 35.8 | Very low | 34.3 | Very low | 192 Ų | 192 | 128.3 Ų | 128.3 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | 67.3 | 140.5 | 89.4 | -72.8 | -169 | 174.4 | -168.7 | 0 | 121.4 | |||||
| 562 | L | 33.5 | Very low | 34 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | 175.4 | 110.2 | 144 | -88.7 | 166.1 | 0 | 0 | 0 | 107.7 | ||||
| 563 | T | 35.3 | Very low | 33.6 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | 61.9 | 141.7 | 79.9 | 63.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 564 | D | 32.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | cis | -173.6 | 165.1 | -23 | -116.1 | -54.9 | 0 | 0 | 0 | 109.6 | ||||
| 565 | G | 32.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | 173.4 | 133.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 566 | Q | 32.1 | Very low | 32.1 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | trans | -127.7 | 144.9 | -172.5 | -56.9 | 174.2 | -37.6 | 0 | 0 | 113.8 | ||||
| 567 | I | 29.9 | Very low | 31.5 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | -144.3 | 149.6 | 151.2 | -60.9 | -173.2 | 0 | 0 | 0 | 108.5 | ||||
| 568 | S | 27.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 153.3 | -178.8 | 74 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 569 | S | 31.9 | Very low | 30.3 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -168 | 108.5 | 159 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 570 | K | 30.7 | Very low | 29.8 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | 51 | 101.9 | 134.7 | -67.2 | -176.4 | 177.1 | -179.8 | 0 | 122.8 | ||||
| 571 | S | 25.2 | Very low | 29.2 | Very low | 91 Ų | 91 | 141 Ų | 141 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | 48 | 129.2 | 117.3 | 64.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 572 | N | 26.3 | Very low | 28.9 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | 170.2 | 139.1 | 111.1 | -89.6 | -17.4 | 0 | 0 | 0 | 115.3 | |||||
| 573 | Y | 25.9 | Very low | 28.6 | Very low | 217 Ų | 217 | 135.3 Ų | 135.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 59.4 | 161.6 | 165.2 | -47.7 | -56.1 | 0 | 0 | 0 | 116.9 | ||||
| 574 | S | 27.3 | Very low | 28.3 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -147.7 | 175.2 | -11 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 575 | L | 26 | Very low | 28.1 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -55.5 | 147.4 | 152.2 | -98.1 | 64.8 | 0 | 0 | 0 | 109.6 | ||||
| 576 | D | 26.5 | Very low | 27.9 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | -160.1 | -173.2 | 70.1 | -107.6 | -44.9 | 0 | 0 | 0 | 114.8 | |||||
| 577 | S | 25.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -99.7 | 127.3 | -176.2 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 578 | T | 28.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 118 | 174.3 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 579 | T | 27.8 | Very low | 27.5 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | 9.2 | 121.9 | 140.9 | -46.8 | 0 | 0 | 0 | 0 | 118.5 | Q581 | T579-Q581 HydrophobicContact CG2-CG 4.04Š| ||
| 580 | F | 26.9 | Very low | 27.3 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -97.9 | 101.5 | 155.6 | -87.6 | -83.1 | 0 | 0 | 0 | 110.1 | ||||
| 581 | Q | 26.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 53% | 0.533 | 75% | 0.752 | S | S | . | * | trans | -78.8 | 132.1 | 160.1 | -78.9 | 162.2 | -65.1 | 0 | 0 | 109 | T579 | T579-Q581 HydrophobicContact CG2-CG 4.04Š| ||
| 582 | T | 28.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -105.8 | 99.4 | 167 | 54.2 | 0 | 0 | 0 | 0 | 109 | N584 | T582-N584 PolarHBondContact O-N 3.45Š| ||
| 583 | S | 28.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -68.8 | 115.3 | 169.3 | 39.7 | 0 | 0 | 0 | 0 | 109.8 | E585 | S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.87Å; S583-E585 VanDerWaalsContact O-N 3.11Å | ||
| 584 | N | 28.6 | Very low | 27.5 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -83.6 | 73.3 | 173.1 | -79.8 | -17 | 0 | 0 | 0 | 110.4 | T582 F586 | T582-N584 PolarHBondContact O-N 3.45Å; N584-F586 PolarHBondContact O-N 2.89Å | ||
| 585 | E | 28.3 | Very low | 27.5 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -82.3 | 91.6 | 162.7 | -72.3 | -164.9 | 135.6 | 0 | 0 | 109.9 | S583 | S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.87Å; S583-E585 VanDerWaalsContact O-N 3.11Å | ||
| 586 | F | 29.3 | Very low | 27.7 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | -84.3 | 105.8 | 161 | -98.3 | -92.8 | 0 | 0 | 0 | 108.8 | N584 E588 | N584-F586 PolarHBondContact O-N 2.89Å; F586-E588 PolarHBondContact O-N 2.98Å | ||
| 587 | M | 27 | Very low | 27.8 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 84% | 0.837 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 117.4 | 162.3 | -78.9 | -167.7 | 179.7 | 0 | 0 | 109.6 | V589 | M587-V589 HydrophobicContact CB-CG2 4.44Å; M587-V589 PolarHBondContact O-N 3.01Å; M587-V589 VanDerWaalsContact O-N 3.12Å | ||
| 588 | E | 25.8 | Very low | 27.9 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -72 | 96 | 163.1 | -67.8 | -176.4 | 139.1 | 0 | 0 | 109.5 | F586 N590 | F586-E588 PolarHBondContact O-N 2.98Å; E588-N590 PolarHBondContact O-N 3.12Å | ||
| 589 | V | 28 | Very low | 28 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -84.2 | 90.7 | 168.8 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | M587 | M587-V589 HydrophobicContact CB-CG2 4.44Å; M587-V589 PolarHBondContact O-N 3.01Å; M587-V589 VanDerWaalsContact O-N 3.12Å | ||
| 590 | N | 27.1 | Very low | 28 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -73.7 | 120.4 | 179.2 | -169.3 | -16.4 | 0 | 0 | 0 | 110.8 | E588 | E588-N590 PolarHBondContact O-N 3.12Š| ||
| 591 | I | 32 | Very low | 28.1 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -107.6 | 97 | 178.9 | -58.8 | 179.3 | 0 | 0 | 0 | 109.2 | ||||
| 592 | N | 27.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -89.1 | 126.8 | 177.2 | -95.6 | -47.4 | 0 | 0 | 0 | 112.4 | ||||
| 593 | A | 26.3 | Very low | 28.1 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | 49.2 | 135.2 | 138.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 594 | S | 26.8 | Very low | 28 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 148.7 | 147.1 | -60.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 595 | T | 27.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -161.8 | 137.3 | -9.4 | 15 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 596 | V | 30.3 | Very low | 27.7 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -139.3 | 142.2 | 151.7 | -175.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 597 | A | 26.8 | Very low | 27.8 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -119.7 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 598 | A | 29.2 | Very low | 27.8 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | 71.4 | 133.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 599 | T | 30.7 | Very low | 27.9 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | cis | -143.5 | 160.6 | -4.4 | 40.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 600 | S | 27.5 | Very low | 27.9 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -12.3 | 152.4 | 140.4 | -83.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 601 | D | 28.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | -153.7 | 165.4 | 12.6 | -105.5 | -23.1 | 0 | 0 | 0 | 114.6 | ||||
| 602 | T | 27.1 | Very low | 28 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 37.6 | 114.9 | 154.7 | 60.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 603 | I | 28.5 | Very low | 28.1 | Very low | 164 Ų | 164 | 123 Ų | 123 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | -171.6 | 144.1 | 100.9 | -96.5 | 164.8 | 0 | 0 | 0 | 111.3 | |||||
| 604 | T | 25.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 127.9 | 175.7 | -15 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 605 | E | 26.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 170.5 | 151.7 | 108.6 | -99.9 | -167.8 | -152.5 | 0 | 0 | 115.6 | |||||
| 606 | T | 25.4 | Very low | 29 | Very low | 109 Ų | 109 | 129 Ų | 129 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | 42.2 | 101.6 | 142.4 | -48.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 607 | I | 30.6 | Very low | 29.2 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | -163.8 | 142.9 | 120.5 | -99.9 | 152.7 | 0 | 0 | 0 | 110.6 | |||||
| 608 | K | 27.2 | Very low | 29.6 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -101.4 | 115.3 | -175.6 | -69.5 | 174.6 | 177.9 | 173.9 | 0 | 112.7 | ||||
| 609 | T | 27.7 | Very low | 29.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 63.9 | 162.1 | 166.5 | 73.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 610 | P | 28.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | -144.8 | 154.9 | 88.6 | 38.5 | -22.8 | 0 | 0 | 0 | 116.5 | |||||
| 611 | S | 30.3 | Very low | 30 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | 51.9 | 102.9 | 141.3 | -161 | 0 | 0 | 0 | 0 | 120.4 | A613 | S611-A613 VanDerWaalsContact C-N 3.28Å; S611-A613 PolarHBondContact O-N 2.88Å | ||
| 612 | S | 29.5 | Very low | 30 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -72.6 | 82.8 | 148.3 | 44 | 0 | 0 | 0 | 0 | 110.1 | Y614 | S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.3Å | ||
| 613 | A | 31.5 | Very low | 30.2 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 78.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S611 N615 | S611-A613 VanDerWaalsContact C-N 3.28Å; S611-A613 PolarHBondContact O-N 2.88Å; A613-N615 PolarHBondContact O-N 3.01Å | ||
| 614 | Y | 31.9 | Very low | 30.3 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 101.2 | 173.2 | -110.6 | -89 | 0 | 0 | 0 | 110.4 | S612 P616 | S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.3Å; Y614-P616 WeakPolarHBondContact O-CD 3.41Å | ||
| 615 | N | 34.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | -85.7 | 113.3 | -169.1 | -162.7 | -20.1 | 0 | 0 | 0 | 111.1 | A613 L617 | A613-N615 PolarHBondContact O-N 3.01Å; N615-L617 PolarHBondContact O-N 2.94Å | ||
| 616 | P | 32 | Very low | 30.5 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -69.7 | -3.9 | -169.5 | -21.8 | 35 | 0 | 0 | 0 | 116.2 | Y614 L618 | Y614-P616 WeakPolarHBondContact O-CD 3.41Å; P616-L618 VanDerWaalsContact C-N 3.34Å; P616-L618 PolarHBondContact O-N 3.48Å |
| 617 | L | 34.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -73.3 | -12.3 | -165.2 | -73.6 | 169.9 | 0 | 0 | 0 | 116 | N615 C619 | N615-L617 PolarHBondContact O-N 2.94Å; L617-C619 PolarHBondContact O-N 2.86Å |
| 618 | L | 36.6 | Very low | 30.5 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -70.2 | -8.7 | 176.8 | -99.2 | 79.5 | 0 | 0 | 0 | 114.4 | P616 | P616-L618 VanDerWaalsContact C-N 3.34Å; P616-L618 PolarHBondContact O-N 3.48Å |
| 619 | C | 30.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -89.5 | 6.7 | -177.4 | -155.1 | 0 | 0 | 0 | 0 | 114.9 | C479 L617 | C479-C619 VanDerWaalsContact SG-SG 3.66Å; L617-C619 PolarHBondContact O-N 2.86Å |
| 620 | L | 30.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -128.3 | -0.8 | -175.5 | -94.1 | 162.7 | 0 | 0 | 0 | 115.7 | R622 | L620-R622 PolarHBondContact O-N 3.16Š|
| 621 | Q | 33.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -92.3 | 67.3 | -170.6 | -162.9 | 74.7 | 4.9 | 0 | 0 | 113.8 | ||||
| 622 | R | 28.1 | Very low | 30.8 | Very low | 248 Ų | 248 | 141.2 Ų | 141.2 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | 172.3 | 91.2 | 151.4 | -98.8 | 165.1 | -169.8 | -144.2 | 3.6 | 113 | L620 | L620-R622 PolarHBondContact O-N 3.16Š| ||
| 623 | Q | 31.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -161.9 | 99.6 | 146.1 | -115.6 | 177.6 | 3.5 | 0 | 0 | 109.6 | ||||
| 624 | V | 30.6 | Very low | 30.7 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -124.2 | 114.9 | 159.7 | 177.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 625 | V | 29.9 | Very low | 30.4 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -17.2 | 126 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 116.1 | H627 | V625-H627 HydrophobicContact CG1-CB 4.02Š| ||
| 626 | A | 25.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -117.4 | 88.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 627 | H | 27.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -159 | 90.6 | 177.2 | -105.6 | -72.2 | 0 | 0 | 0 | 110.9 | V625 | V625-H627 HydrophobicContact CG1-CB 4.02Š| ||
| 628 | S | 29.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -169.4 | 88.7 | 154.3 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 629 | D | 31.6 | Very low | 29 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 40 | 117.2 | 133 | -47.3 | -45.1 | 0 | 0 | 0 | 120.2 | N631 | D629-N631 PolarHBondContact O-N 2.91Š| ||
| 630 | L | 28.3 | Very low | 28.8 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -67.8 | 112.9 | 160.1 | -72.2 | 124.3 | 0 | 0 | 0 | 110.6 | ||||
| 631 | N | 31.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -161.9 | 119.9 | 143.9 | -106.1 | -33.8 | 0 | 0 | 0 | 114.6 | D629 | D629-N631 PolarHBondContact O-N 2.91Š| ||
| 632 | N | 29.8 | Very low | 28.4 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 40.2 | 111.9 | 138.9 | -56.6 | -26.7 | 0 | 0 | 0 | 121.7 | ||||
| 633 | N | 27.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | 61.9 | 61 | 122.7 | -57.7 | -15 | 0 | 0 | 0 | 121.4 | |||||
| 634 | S | 31.5 | Very low | 28.2 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -158.6 | 116.6 | 139.7 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 635 | L | 25.3 | Very low | 28.1 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | 61.8 | 129.8 | 77.6 | -81.5 | 166.8 | 0 | 0 | 0 | 114.9 | |||||
| 636 | I | 27.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | trans | 74 | 130.2 | 150.5 | -76.3 | 162.9 | 0 | 0 | 0 | 115.6 | ||||
| 637 | K | 27.7 | Very low | 28 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 70% | 0.704 | 69% | 0.688 | S | S | * | * | cis | -157.1 | 160.4 | 2.9 | -108.7 | 164.6 | -166.7 | 169.5 | 0 | 111.5 | ||||
| 638 | M | 25.6 | Very low | 27.9 | Very low | 140 Ų | 140 | 128 Ų | 128 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | trans | 23.9 | 135.3 | 150.8 | -58 | -177.5 | -75.4 | 0 | 0 | 121.5 | ||||
| 639 | S | 26.3 | Very low | 27.9 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | cis | 84.9 | 100.9 | 27.2 | 86 | 0 | 0 | 0 | 0 | 118.3 | K557 | K557-S639 PolarHBondContact NZ-O 3.46Å; K557-S639 VanDerWaalsContact NZ-O 3.13Å | ||
| 640 | N | 28.2 | Very low | 27.6 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | trans | 173 | 156.9 | 153.4 | -100.1 | 9.1 | 0 | 0 | 0 | 113.3 | D556 K557 | D556-N640 PolarHBondContact OD1-ND2 2.82Å; K557-N640 WeakPolarHBondContact CD-OD1 3.44Å; K557-N640 WeakPolarHBondContact CE-OD1 3.37Å; K557-N640 PolarHBondContact NZ-ND2 2.83Å; K557-N640 PolarHBondContact NZ-OD1 3.06Å | ||
| 641 | F | 26.3 | Very low | 27.6 | Very low | 89 Ų | 89 | 129 Ų | 129 | 39% | 0.39 | 68% | 0.679 | S | S | . | * | cis | -158.6 | 168.7 | -24 | -155.7 | -103.5 | 0 | 0 | 0 | 113 | D556 K557 V643 | D556-F641 VanDerWaalsContact N-CD1 3.26Å; K557-F641 VanDerWaalsContact CA-CZ 3.47Å; K557-F641 HydrophobicContact CB-CE2 4.28Å; K557-F641 HydrophobicContact CG-CD2 4.34Å; K557-F641 HydrophobicContact CG-CE2 4.16Å; F641-V643 HydrophobicContact CD1-CB 4.35Å; F641-V643 HydrophobicContact CE1-CB 3.89Å; F641-V643 HydrophobicContact CE1-CG2 3.77Å | ||
| 642 | V | 27.9 | Very low | 27.2 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 79% | 0.788 | 68% | 0.676 | S | S | * | * | trans | -145.7 | 126 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 643 | V | 28.9 | Very low | 27.1 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | trans | -174.4 | 156.5 | 171.6 | 131 | 0 | 0 | 0 | 0 | 107.8 | K555 F641 | K555-V643 VanDerWaalsContact O-CB 3.3Å; K555-V643 WeakPolarHBondContact O-CB 3.34Å; K555-V643 WeakPolarHBondContact O-CG1 3.17Å; F641-V643 HydrophobicContact CD1-CB 4.35Å; F641-V643 HydrophobicContact CE1-CB 3.89Å; F641-V643 HydrophobicContact CE1-CG2 3.77Å | ||
| 644 | S | 27.5 | Very low | 27.2 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | cis | -165.9 | 166.8 | -27.3 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 645 | N | 28.2 | Very low | 27.1 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | -173.8 | 118.3 | 123.8 | -89.4 | -24.7 | 0 | 0 | 0 | 108.6 | |||||
| 646 | Q | 26.7 | Very low | 27.1 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | 63.9 | 135.2 | 93 | -62.5 | -174.8 | 33.9 | 0 | 0 | 112.9 | |||||
| 647 | S | 27 | Very low | 27.3 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | cis | -161.2 | 157 | 32.2 | -32.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 648 | Y | 25.2 | Very low | 27.4 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 82% | 0.816 | 69% | 0.693 | S | S | * | * | trans | 62.6 | 145.2 | 153.4 | -56.9 | -50.9 | 0 | 0 | 0 | 119.3 | ||||
| 649 | L | 29.6 | Very low | 27.5 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | cis | -142.2 | 174.6 | 5.2 | -124.4 | 162.2 | 0 | 0 | 0 | 111.2 | ||||
| 650 | N | 24.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 58% | 0.578 | 70% | 0.695 | S | S | * | * | trans | -104.4 | 163.5 | -166.2 | -169.9 | 2.7 | 0 | 0 | 0 | 112 | ||||
| 651 | F | 28.2 | Very low | 27.7 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | 179.3 | 131.1 | 123 | -93.3 | -60.8 | 0 | 0 | 0 | 113.3 | |||||
| 652 | N | 23.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -89.4 | 155.4 | 171.4 | -63.6 | -63.5 | 0 | 0 | 0 | 111.7 | ||||
| 653 | T | 27.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | -176.3 | 150.2 | 120.8 | 20.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 654 | P | 29.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -113.3 | 158 | 178.3 | 40.1 | -31.8 | 0 | 0 | 0 | 114.6 | ||||
| 655 | I | 29.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -136.5 | 149.1 | 171 | -62.7 | -176.5 | 0 | 0 | 0 | 111.2 | ||||
| 656 | K | 25.3 | Very low | 27.9 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -115.6 | 149.7 | -178.8 | -55.2 | 170.2 | 177.3 | 177 | 0 | 112.2 | ||||
| 657 | Y | 30.5 | Very low | 28 | Very low | 212 Ų | 212 | 152.4 Ų | 152.4 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -145.5 | 118.7 | 142.1 | -78.9 | -82.4 | 0 | 0 | 0 | 106.6 | ||||
| 658 | K | 30 | Very low | 28 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 67.1 | 103.8 | 67.3 | -77.3 | -169.6 | 144.8 | -81.8 | 0 | 112.1 | |||||
| 659 | D | 27.8 | Very low | 28.2 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | 99.2 | 148.3 | 93.5 | -69.4 | -12.1 | 0 | 0 | 0 | 109.2 | |||||
| 660 | E | 27.9 | Very low | 28 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | cis | -163.6 | -178 | 6.4 | -127.3 | 177.3 | -171.9 | 0 | 0 | 110.2 | ||||
| 661 | F | 29.5 | Very low | 28.2 | Very low | 171 Ų | 171 | 158.6 Ų | 158.6 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | 67.8 | 151.9 | 171.3 | -65.9 | -91.2 | 0 | 0 | 0 | 120 | ||||
| 662 | R | 27.4 | Very low | 28.2 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -170.7 | 139.3 | -47.2 | -121 | -170.9 | -171.4 | -137.1 | 15.1 | 111.4 | ||||
| 663 | Q | 27.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 40.4 | 124.1 | 142.9 | -66 | 170.2 | -28.9 | 0 | 0 | 122.2 | ||||
| 664 | G | 28.1 | Very low | 28.8 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 144.9 | 79.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 665 | N | 28.2 | Very low | 29 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 76.8 | 134.2 | 68.5 | -153 | 13.2 | 0 | 0 | 0 | 114.9 | |||||
| 666 | T | 31.3 | Very low | 29.2 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | 66.2 | 151.5 | 170.7 | 59.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 667 | R | 29.4 | Very low | 29.9 | Very low | 221 Ų | 221 | 146.6 Ų | 146.6 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | cis | -168.1 | 151.6 | -22.7 | -177.6 | 175 | -161.3 | 163 | 2.4 | 109.8 | ||||
| 668 | N | 26.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | -28.6 | 139.5 | 179.6 | -47.4 | -4.5 | 0 | 0 | 0 | 118 | Y670 | N668-Y670 HydrophobicContact CB-CD2 4.45Š| ||
| 669 | Y | 30 | Very low | 30.6 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 93% | 0.933 | 72% | 0.719 | S | S | * | * | trans | -127 | 124.6 | 135.4 | -96.2 | -84.1 | 0 | 0 | 0 | 110 | ||||
| 670 | Y | 25.8 | Very low | 31.2 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -84.1 | 149.2 | 169.5 | -80.5 | -105.9 | 0 | 0 | 0 | 109.7 | N668 | N668-Y670 HydrophobicContact CB-CD2 4.45Š| ||
| 671 | S | 29.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | -148.4 | 149.4 | 127.2 | -156.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 672 | S | 27.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | trans | -91 | 157 | -172.4 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 673 | G | 29.5 | Very low | 33.2 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | trans | 173.3 | -22.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 674 | V | 33.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -112.4 | -14.9 | -164.8 | -169.7 | 0 | 0 | 0 | 0 | 114.7 | S676 | V674-S676 PolarHBondContact O-N 2.96Š|
| 675 | I | 33.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -75 | -20.4 | -164.4 | -65.8 | 175.8 | 0 | 0 | 0 | 114.6 | ||
| 676 | S | 34.2 | Very low | 35.1 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 52% | 0.517 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63 | -49 | -178.3 | 48 | 0 | 0 | 0 | 0 | 113.4 | V674 Q678 S679 D680 | V674-S676 PolarHBondContact O-N 2.96Å; S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.31Å; S676-Q678 VanDerWaalsContact O-N 3.12Å; S676-S679 WeakPolarHBondContact O-CB 3.19Å; S676-S679 PolarHBondContact O-N 3.18Å; S676-D680 PolarHBondContact O-N 3.48Å |
| 677 | K | 40.1 | Very low | 35.8 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.2 | -22.7 | -170.3 | -69.7 | -170.2 | 174.5 | -173.4 | 0 | 115.1 | M681 | K677-M681 PolarHBondContact O-N 3.12Å |
| 678 | Q | 37.3 | Very low | 36.2 | Very low | 143 Ų | 143 | 116 Ų | 116 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.7 | -35.5 | 171.4 | -83.8 | -177.9 | -38.5 | 0 | 0 | 112.4 | S676 D680 I682 | S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.31Å; S676-Q678 VanDerWaalsContact O-N 3.12Å; Q678-D680 VanDerWaalsContact C-N 3.31Å; Q678-D680 PolarHBondContact O-N 3.09Å; Q678-I682 VanDerWaalsContact O-CG1 3.29Å; Q678-I682 WeakPolarHBondContact O-CG1 3.33Å; Q678-I682 PolarHBondContact O-N 2.93Å |
| 679 | S | 37.8 | Very low | 36.7 | Very low | 59 Ų | 59 | 115.3 Ų | 115.3 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 175.5 | -175 | 0 | 0 | 0 | 0 | 111.9 | S676 K683 | S676-S679 WeakPolarHBondContact O-CB 3.19Å; S676-S679 PolarHBondContact O-N 3.18Å; S679-K683 WeakPolarHBondContact O-CG 3.38Å; S679-K683 PolarHBondContact O-N 3.41Å |
| 680 | D | 39.5 | Very low | 37.3 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.4 | -37.3 | -177.3 | -59.2 | -35.3 | 0 | 0 | 0 | 111.6 | S676 Q678 K683 S684 | S676-D680 PolarHBondContact O-N 3.48Å; Q678-D680 VanDerWaalsContact C-N 3.31Å; Q678-D680 PolarHBondContact O-N 3.09Å; D680-K683 PolarHBondContact O-N 2.89Å; D680-S684 PolarHBondContact O-N 3.05Å; D680-S684 PolarHBondContact O-OG 3.08Å |
| 681 | M | 36.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 105.2 Ų | 105.2 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.9 | -41.9 | 170.9 | -115.4 | -175.2 | -65.2 | 0 | 0 | 112.6 | K677 K683 S684 L685 | K677-M681 PolarHBondContact O-N 3.12Å; M681-K683 VanDerWaalsContact C-N 3.34Å; M681-S684 PolarHBondContact O-N 2.95Å; M681-S684 PolarHBondContact O-OG 2.83Å; M681-L685 WeakPolarHBondContact O-CB 3.44Å; M681-L685 WeakPolarHBondContact O-CG 3.38Å; M681-L685 PolarHBondContact O-N 3.48Å |
| 682 | I | 45.5 | Very low | 38.8 | Very low | 116 Ų | 116 | 102.9 Ų | 102.9 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -38.8 | 177 | -69.8 | 168.2 | 0 | 0 | 0 | 110.4 | Q678 N686 | Q678-I682 VanDerWaalsContact O-CG1 3.29Å; Q678-I682 WeakPolarHBondContact O-CG1 3.33Å; Q678-I682 PolarHBondContact O-N 2.93Å; I682-N686 WeakPolarHBondContact O-CB 3.44Å; I682-N686 PolarHBondContact O-N 2.95Å |
| 683 | K | 45.2 | Very low | 39.6 | Very low | 120 Ų | 120 | 102.1 Ų | 102.1 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -50.3 | 172.3 | -79.5 | -179.9 | 176.2 | 179.6 | 0 | 112.4 | S679 D680 M681 L685 N686 E687 | S679-K683 WeakPolarHBondContact O-CG 3.38Å; S679-K683 PolarHBondContact O-N 3.41Å; D680-K683 PolarHBondContact O-N 2.89Å; M681-K683 VanDerWaalsContact C-N 3.34Å; K683-L685 VanDerWaalsContact C-N 3.26Å; K683-L685 PolarHBondContact O-N 3.19Å; K683-N686 PolarHBondContact O-N 2.9Å; K683-E687 WeakPolarHBondContact O-CB 3.32Å; K683-E687 WeakPolarHBondContact O-CG 3.28Å; K683-E687 PolarHBondContact O-N 3Å |
| 684 | S | 42.4 | Very low | 40.6 | Very low | 64 Ų | 64 | 103.9 Ų | 103.9 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | -179.5 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | D680 M681 S688 | D680-S684 PolarHBondContact O-N 3.05Å; D680-S684 PolarHBondContact O-OG 3.08Å; M681-S684 PolarHBondContact O-N 2.95Å; M681-S684 PolarHBondContact O-OG 2.83Å; S684-S688 WeakPolarHBondContact O-CB 3.34Å; S684-S688 PolarHBondContact O-N 3.36Å |
| 685 | L | 41.4 | Very low | 41.4 | Very low | 97 Ų | 97 | 102.4 Ų | 102.4 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 170.7 | -80.4 | 164.8 | 0 | 0 | 0 | 111.6 | M681 K683 E687 S688 F689 | M681-L685 WeakPolarHBondContact O-CB 3.44Å; M681-L685 WeakPolarHBondContact O-CG 3.38Å; M681-L685 PolarHBondContact O-N 3.48Å; K683-L685 VanDerWaalsContact C-N 3.26Å; K683-L685 PolarHBondContact O-N 3.19Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-E687 PolarHBondContact O-N 3.12Å; L685-S688 WeakPolarHBondContact O-CB 3.42Å; L685-S688 PolarHBondContact O-N 3.24Å; L685-S688 VanDerWaalsContact O-N 3.16Å; L685-F689 WeakPolarHBondContact O-CD2 2.98Å; L685-F689 PolarHBondContact O-N 3.44Å |
| 686 | N | 41.1 | Very low | 41.9 | Very low | 101 Ų | 101 | 98.4 Ų | 98.4 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | -179.3 | -145 | 46.3 | 0 | 0 | 0 | 112.2 | I682 K683 F689 Q690 | I682-N686 WeakPolarHBondContact O-CB 3.44Å; I682-N686 PolarHBondContact O-N 2.95Å; K683-N686 PolarHBondContact O-N 2.9Å; N686-F689 PolarHBondContact O-N 2.89Å; N686-Q690 WeakPolarHBondContact O-CG 3.43Å; N686-Q690 PolarHBondContact O-N 2.96Å |
| 687 | E | 44.8 | Very low | 42.5 | Very low | 114 Ų | 114 | 99.2 Ų | 99.2 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 171.3 | -72 | 168.4 | -165.8 | 0 | 0 | 111.4 | K683 L685 Q690 N691 | K683-E687 WeakPolarHBondContact O-CB 3.32Å; K683-E687 WeakPolarHBondContact O-CG 3.28Å; K683-E687 PolarHBondContact O-N 3Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-E687 PolarHBondContact O-N 3.12Å; E687-Q690 PolarHBondContact O-N 2.81Å; E687-N691 WeakPolarHBondContact O-CB 3.35Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 3.14Å; E687-N691 PolarHBondContact O-ND2 3.07Å |
| 688 | S | 39.2 | Very low | 43.1 | Very low | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 171.3 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | S684 L685 Q690 N691 D692 | S684-S688 WeakPolarHBondContact O-CB 3.34Å; S684-S688 PolarHBondContact O-N 3.36Å; L685-S688 WeakPolarHBondContact O-CB 3.42Å; L685-S688 PolarHBondContact O-N 3.24Å; L685-S688 VanDerWaalsContact O-N 3.16Å; S688-Q690 PolarHBondContact O-N 3.17Å; S688-N691 PolarHBondContact O-N 3.37Å; S688-D692 PolarHBondContact O-N 3.26Å |
| 689 | F | 36.6 | Very low | 43.7 | Very low | 101 Ų | 101 | 93.7 Ų | 93.7 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 177.4 | -82.6 | -69.1 | 0 | 0 | 0 | 112.3 | L685 N686 D692 E693 | L685-F689 WeakPolarHBondContact O-CD2 2.98Å; L685-F689 PolarHBondContact O-N 3.44Å; N686-F689 PolarHBondContact O-N 2.89Å; F689-D692 PolarHBondContact O-N 3.44Å; F689-E693 WeakPolarHBondContact O-CB 3.38Å; F689-E693 PolarHBondContact O-N 3.37Å |
| 690 | Q | 42.4 | Very low | 44.1 | Very low | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.2 | -37.6 | 174.3 | -75.4 | -170 | -9.1 | 0 | 0 | 112.6 | N686 E687 S688 E693 V694 | N686-Q690 WeakPolarHBondContact O-CG 3.43Å; N686-Q690 PolarHBondContact O-N 2.96Å; E687-Q690 PolarHBondContact O-N 2.81Å; S688-Q690 PolarHBondContact O-N 3.17Å; Q690-E693 PolarHBondContact O-N 3.18Å; Q690-V694 WeakPolarHBondContact O-CB 3.41Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.37Å; Q690-V694 PolarHBondContact O-N 3.2Å |
| 691 | N | 44.4 | Very low | 44.6 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 174.4 | -74.9 | -47.5 | 0 | 0 | 0 | 111.9 | E687 S688 E693 V694 E695 | E687-N691 WeakPolarHBondContact O-CB 3.35Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 3.14Å; E687-N691 PolarHBondContact O-ND2 3.07Å; S688-N691 PolarHBondContact O-N 3.37Å; N691-E693 VanDerWaalsContact C-N 3.34Å; N691-E693 PolarHBondContact O-N 3.33Å; N691-V694 PolarHBondContact O-N 2.85Å; N691-E695 PolarHBondContact O-N 3.36Å |
| 692 | D | 41.6 | Very low | 45.4 | Very low | 74 Ų | 74 | 94.1 Ų | 94.1 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 173 | -80.4 | -26.6 | 0 | 0 | 0 | 111.9 | S688 F689 E695 S696 | S688-D692 PolarHBondContact O-N 3.26Å; F689-D692 PolarHBondContact O-N 3.44Å; D692-E695 PolarHBondContact O-N 3.34Å; D692-S696 WeakPolarHBondContact O-CB 3.38Å; D692-S696 PolarHBondContact O-N 3.34Å |
| 693 | E | 46.1 | Very low | 45.5 | Very low | 96 Ų | 96 | 93.6 Ų | 93.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 176.7 | -174.3 | 162.1 | -123.7 | 0 | 0 | 112.1 | F689 Q690 N691 N697 | F689-E693 WeakPolarHBondContact O-CB 3.38Å; F689-E693 PolarHBondContact O-N 3.37Å; Q690-E693 PolarHBondContact O-N 3.18Å; N691-E693 VanDerWaalsContact C-N 3.34Å; N691-E693 PolarHBondContact O-N 3.33Å; E693-N697 VanDerWaalsContact O-CB 3.29Å; E693-N697 WeakPolarHBondContact O-CB 3.23Å; E693-N697 VanDerWaalsContact O-CG 3.32Å; E693-N697 PolarHBondContact O-N 3.04Å; E693-N697 PolarHBondContact O-ND2 2.96Å |
| 694 | V | 50.2 | Low | 45.7 | Very low | 101 Ų | 101 | 93 Ų | 93 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | 172.1 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | Q690 N691 N697 A698 | Q690-V694 WeakPolarHBondContact O-CB 3.41Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.37Å; Q690-V694 PolarHBondContact O-N 3.2Å; N691-V694 PolarHBondContact O-N 2.85Å; V694-N697 PolarHBondContact O-N 3.04Å; V694-A698 WeakPolarHBondContact O-CB 3.43Å; V694-A698 PolarHBondContact O-N 2.76Å |
| 695 | E | 49.3 | Very low | 46.2 | Very low | 95 Ų | 95 | 95.9 Ų | 95.9 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -35.7 | 177.2 | -152.4 | -164.3 | -172.8 | 0 | 0 | 111.9 | N691 D692 A698 R699 | N691-E695 PolarHBondContact O-N 3.36Å; D692-E695 PolarHBondContact O-N 3.34Å; E695-A698 PolarHBondContact O-N 3.31Å; E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 VanDerWaalsContact O-CG 3.32Å; E695-R699 WeakPolarHBondContact O-CG 3.42Å; E695-R699 PolarHBondContact O-N 3.34Å; E695-R699 IonicContact OE1-CZ 3.97Å; E695-R699 IonicContact OE1-NH1 3.37Å; E695-R699 IonicContact OE1-NH2 3.14Å; E695-R699 PolarHBondContact OE1-NH2 3.19Å; E695-R699 IonicContact OE2-CZ 3.78Å; E695-R699 IonicContact OE2-NH1 2.91Å; E695-R699 PolarHBondContact OE2-NH1 2.9Å; E695-R699 IonicContact OE2-NH2 3.87Å; E695-R699 PolarHBondContact OE2-NH2 3.44Å |
| 696 | S | 43.2 | Very low | 46.5 | Very low | 55 Ų | 55 | 94 Ų | 94 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | D692 A698 R699 N700 | D692-S696 WeakPolarHBondContact O-CB 3.38Å; D692-S696 PolarHBondContact O-N 3.34Å; S696-A698 PolarHBondContact O-N 3.11Å; S696-R699 PolarHBondContact O-N 3.29Å; S696-N700 WeakPolarHBondContact O-CB 3.45Å; S696-N700 VanDerWaalsContact O-CG 3.31Å; S696-N700 PolarHBondContact O-N 2.75Å; S696-N700 PolarHBondContact O-ND2 3.35Å |
| 697 | N | 48.6 | Very low | 46.6 | Very low | 91 Ų | 91 | 92 Ų | 92 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -33.2 | 177.2 | -76.5 | -47.8 | 0 | 0 | 0 | 112.7 | E693 V694 S701 | E693-N697 VanDerWaalsContact O-CB 3.29Å; E693-N697 WeakPolarHBondContact O-CB 3.23Å; E693-N697 VanDerWaalsContact O-CG 3.32Å; E693-N697 PolarHBondContact O-N 3.04Å; E693-N697 PolarHBondContact O-ND2 2.96Å; V694-N697 PolarHBondContact O-N 3.04Å; N697-S701 WeakPolarHBondContact O-CB 3.48Å; N697-S701 PolarHBondContact O-N 2.89Å |
| 698 | A | 51.8 | Low | 46.8 | Very low | 54 Ų | 54 | 91 Ų | 91 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V694 E695 S696 S701 H702 | V694-A698 WeakPolarHBondContact O-CB 3.43Å; V694-A698 PolarHBondContact O-N 2.76Å; E695-A698 PolarHBondContact O-N 3.31Å; S696-A698 PolarHBondContact O-N 3.11Å; A698-S701 PolarHBondContact O-N 2.87Å; A698-H702 WeakPolarHBondContact O-CB 3.4Å; A698-H702 PolarHBondContact O-N 2.9Å |
| 699 | R | 48.9 | Very low | 47.1 | Very low | 138 Ų | 138 | 90.9 Ų | 90.9 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.7 | -75.5 | 178.2 | -179.3 | 120.2 | 4.7 | 112 | E695 S696 H702 L703 | E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 VanDerWaalsContact O-CG 3.32Å; E695-R699 WeakPolarHBondContact O-CG 3.42Å; E695-R699 PolarHBondContact O-N 3.34Å; E695-R699 IonicContact OE1-CZ 3.97Å; E695-R699 IonicContact OE1-NH1 3.37Å; E695-R699 IonicContact OE1-NH2 3.14Å; E695-R699 PolarHBondContact OE1-NH2 3.19Å; E695-R699 IonicContact OE2-CZ 3.78Å; E695-R699 IonicContact OE2-NH1 2.91Å; E695-R699 PolarHBondContact OE2-NH1 2.9Å; E695-R699 IonicContact OE2-NH2 3.87Å; E695-R699 PolarHBondContact OE2-NH2 3.44Å; S696-R699 PolarHBondContact O-N 3.29Å; R699-H702 PolarHBondContact O-N 3.11Å; R699-L703 WeakPolarHBondContact O-CB 3.41Å; R699-L703 PolarHBondContact O-N 3.25Å |
| 700 | N | 46.8 | Very low | 47.2 | Very low | 87 Ų | 87 | 90.3 Ų | 90.3 | 47% | 0.465 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 175.8 | -72.9 | -33.8 | 0 | 0 | 0 | 111.9 | S696 L703 Q704 | S696-N700 WeakPolarHBondContact O-CB 3.45Å; S696-N700 VanDerWaalsContact O-CG 3.31Å; S696-N700 PolarHBondContact O-N 2.75Å; S696-N700 PolarHBondContact O-ND2 3.35Å; N700-L703 PolarHBondContact O-N 3.44Å; N700-Q704 WeakPolarHBondContact O-CB 3.36Å; N700-Q704 PolarHBondContact O-N 3.02Å |
| 701 | S | 49.9 | Very low | 46.9 | Very low | 61 Ų | 61 | 92.1 Ų | 92.1 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | N697 A698 Q704 Q705 | N697-S701 WeakPolarHBondContact O-CB 3.48Å; N697-S701 PolarHBondContact O-N 2.89Å; A698-S701 PolarHBondContact O-N 2.87Å; S701-Q704 PolarHBondContact O-N 2.97Å; S701-Q705 WeakPolarHBondContact O-CB 3.41Å; S701-Q705 WeakPolarHBondContact O-CG 3.22Å; S701-Q705 PolarHBondContact O-N 2.76Å |
| 702 | H | 54.1 | Low | 46.9 | Very low | 123 Ų | 123 | 89.8 Ų | 89.8 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.4 | -36 | 177.1 | -170.1 | 46.7 | 0 | 0 | 0 | 112.5 | A698 R699 Q705 T706 | A698-H702 WeakPolarHBondContact O-CB 3.4Å; A698-H702 PolarHBondContact O-N 2.9Å; R699-H702 PolarHBondContact O-N 3.11Å; H702-Q705 PolarHBondContact O-N 3.07Å; H702-T706 WeakPolarHBondContact O-CB 3.3Å; H702-T706 PolarHBondContact O-N 3.13Å; H702-T706 PolarHBondContact O-OG1 3.12Å |
| 703 | L | 48.2 | Very low | 46.8 | Very low | 105 Ų | 105 | 90.5 Ų | 90.5 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 169.8 | -92 | 159.8 | 0 | 0 | 0 | 112.2 | R699 N700 T706 T707 | R699-L703 WeakPolarHBondContact O-CB 3.41Å; R699-L703 PolarHBondContact O-N 3.25Å; N700-L703 PolarHBondContact O-N 3.44Å; L703-T706 PolarHBondContact O-N 2.98Å; L703-T707 VanDerWaalsContact O-CB 3.28Å; L703-T707 WeakPolarHBondContact O-CB 3.34Å; L703-T707 PolarHBondContact O-N 3.39Å; L703-T707 PolarHBondContact O-OG1 3.27Å |
| 704 | Q | 49.4 | Very low | 46.6 | Very low | 108 Ų | 108 | 92.4 Ų | 92.4 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 175.6 | -169.1 | 67.9 | 64.7 | 0 | 0 | 111.2 | N700 S701 T706 T707 N708 | N700-Q704 WeakPolarHBondContact O-CB 3.36Å; N700-Q704 PolarHBondContact O-N 3.02Å; S701-Q704 PolarHBondContact O-N 2.97Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.94Å; Q704-T707 PolarHBondContact O-N 3.04Å; Q704-N708 PolarHBondContact NE2-OD1 3.06Å; Q704-N708 VanDerWaalsContact O-CB 3.3Å; Q704-N708 WeakPolarHBondContact O-CB 3.41Å; Q704-N708 PolarHBondContact O-N 3.45Å; Q704-N708 PolarHBondContact O-OD1 3.45Å; Q704-N708 VanDerWaalsContact O-OD1 3.1Å |
| 705 | Q | 51.5 | Low | 45.7 | Very low | 123 Ų | 123 | 92.5 Ų | 92.5 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 173.5 | -73.2 | 178.5 | 2.8 | 0 | 0 | 111.9 | S701 H702 S709 | S701-Q705 WeakPolarHBondContact O-CB 3.41Å; S701-Q705 WeakPolarHBondContact O-CG 3.22Å; S701-Q705 PolarHBondContact O-N 2.76Å; H702-Q705 PolarHBondContact O-N 3.07Å; Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 2.91Å |
| 706 | T | 48.7 | Very low | 44.7 | Very low | 57 Ų | 57 | 95.5 Ų | 95.5 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | H702 L703 Q704 S709 I710 | H702-T706 WeakPolarHBondContact O-CB 3.3Å; H702-T706 PolarHBondContact O-N 3.13Å; H702-T706 PolarHBondContact O-OG1 3.12Å; L703-T706 PolarHBondContact O-N 2.98Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.94Å; T706-S709 WeakPolarHBondContact O-CB 3.33Å; T706-S709 PolarHBondContact O-N 3.08Å; T706-I710 HydrophobicContact CG2-CD1 4.04Å; T706-I710 VanDerWaalsContact O-CG1 3.25Å; T706-I710 WeakPolarHBondContact O-CG1 3.38Å; T706-I710 PolarHBondContact O-N 3.38Å |
| 707 | T | 43.9 | Very low | 44 | Very low | 60 Ų | 60 | 103 Ų | 103 | 37% | 0.368 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | L703 Q704 S709 I710 Y711 | L703-T707 VanDerWaalsContact O-CB 3.28Å; L703-T707 WeakPolarHBondContact O-CB 3.34Å; L703-T707 PolarHBondContact O-N 3.39Å; L703-T707 PolarHBondContact O-OG1 3.27Å; Q704-T707 PolarHBondContact O-N 3.04Å; T707-S709 VanDerWaalsContact C-N 3.29Å; T707-S709 PolarHBondContact O-N 3.23Å; T707-I710 PolarHBondContact O-N 2.78Å; T707-Y711 HydrophobicContact CG2-CD2 4.19Å; T707-Y711 HydrophobicContact CG2-CE2 4.4Å; T707-Y711 PolarHBondContact O-N 3.2Å |
| 708 | N | 47.3 | Very low | 43.1 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 175.1 | -67.5 | 10.3 | 0 | 0 | 0 | 111.3 | Q704 A712 | Q704-N708 PolarHBondContact NE2-OD1 3.06Å; Q704-N708 VanDerWaalsContact O-CB 3.3Å; Q704-N708 WeakPolarHBondContact O-CB 3.41Å; Q704-N708 PolarHBondContact O-N 3.45Å; Q704-N708 PolarHBondContact O-OD1 3.45Å; Q704-N708 VanDerWaalsContact O-OD1 3.1Å; N708-A712 VanDerWaalsContact O-CB 3.25Å; N708-A712 WeakPolarHBondContact O-CB 3.03Å; N708-A712 PolarHBondContact O-N 2.9Å |
| 709 | S | 45.4 | Very low | 41.9 | Very low | 57 Ų | 57 | 111.8 Ų | 111.8 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -44.1 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Q705 T706 T707 A712 N713 | Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 2.91Å; T706-S709 WeakPolarHBondContact O-CB 3.33Å; T706-S709 PolarHBondContact O-N 3.08Å; T707-S709 VanDerWaalsContact C-N 3.29Å; T707-S709 PolarHBondContact O-N 3.23Å; S709-A712 PolarHBondContact O-N 3.06Å; S709-N713 VanDerWaalsContact O-CB 3.32Å; S709-N713 WeakPolarHBondContact O-CB 3.3Å; S709-N713 PolarHBondContact O-N 2.77Å; S709-N713 PolarHBondContact O-ND2 3.35Å; S709-N713 PolarHBondContact OG-ND2 3.12Å |
| 710 | I | 39.2 | Very low | 41 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -45.5 | 175.8 | -71.4 | 162.7 | 0 | 0 | 0 | 110.5 | T706 T707 N713 Q714 | T706-I710 HydrophobicContact CG2-CD1 4.04Å; T706-I710 VanDerWaalsContact O-CG1 3.25Å; T706-I710 WeakPolarHBondContact O-CG1 3.38Å; T706-I710 PolarHBondContact O-N 3.38Å; T707-I710 PolarHBondContact O-N 2.78Å; I710-N713 PolarHBondContact O-N 3.05Å; I710-Q714 WeakPolarHBondContact O-CB 3.25Å; I710-Q714 WeakPolarHBondContact O-CG 2.95Å; I710-Q714 PolarHBondContact O-N 3.13Å |
| 711 | Y | 35.7 | Very low | 40 | Very low | 157 Ų | 157 | 115.1 Ų | 115.1 | 62% | 0.616 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -47.1 | 175 | -94.3 | -87.4 | 0 | 0 | 0 | 112.6 | T707 N713 Q714 C715 | T707-Y711 HydrophobicContact CG2-CD2 4.19Å; T707-Y711 HydrophobicContact CG2-CE2 4.4Å; T707-Y711 PolarHBondContact O-N 3.2Å; Y711-N713 VanDerWaalsContact C-N 3.33Å; Y711-N713 PolarHBondContact O-N 2.72Å; Y711-Q714 PolarHBondContact O-N 3.2Å; Y711-Q714 VanDerWaalsContact O-N 3.08Å; Y711-C715 PolarHBondContact O-N 3.24Å; Y711-C715 VanDerWaalsContact O-N 3.14Å; Y711-C715 PolarHBondContact O-SG 2.93Å |
| 712 | A | 44.5 | Very low | 39.1 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N708 S709 Q714 C715 | N708-A712 VanDerWaalsContact O-CB 3.25Å; N708-A712 WeakPolarHBondContact O-CB 3.03Å; N708-A712 PolarHBondContact O-N 2.9Å; S709-A712 PolarHBondContact O-N 3.06Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 2.8Å; A712-C715 PolarHBondContact O-N 3.07Å |
| 713 | N | 39.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.3 | -14.7 | 176.3 | -73.7 | -73.2 | 0 | 0 | 0 | 113.6 | S709 I710 Y711 | S709-N713 VanDerWaalsContact O-CB 3.32Å; S709-N713 WeakPolarHBondContact O-CB 3.3Å; S709-N713 PolarHBondContact O-N 2.77Å; S709-N713 PolarHBondContact O-ND2 3.35Å; S709-N713 PolarHBondContact OG-ND2 3.12Å; I710-N713 PolarHBondContact O-N 3.05Å; Y711-N713 VanDerWaalsContact C-N 3.33Å; Y711-N713 PolarHBondContact O-N 2.72Å |
| 714 | Q | 42.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 126 Ų | 126 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.7 | -16.8 | 171.2 | -77.9 | -178.9 | -30.9 | 0 | 0 | 113 | I710 Y711 A712 | I710-Q714 WeakPolarHBondContact O-CB 3.25Å; I710-Q714 WeakPolarHBondContact O-CG 2.95Å; I710-Q714 PolarHBondContact O-N 3.13Å; Y711-Q714 PolarHBondContact O-N 3.2Å; Y711-Q714 VanDerWaalsContact O-N 3.08Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 2.8Å |
| 715 | C | 30.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -93.4 | 11.9 | 177.6 | -67 | 0 | 0 | 0 | 0 | 114.7 | Y711 A712 | Y711-C715 PolarHBondContact O-N 3.24Å; Y711-C715 VanDerWaalsContact O-N 3.14Å; Y711-C715 PolarHBondContact O-SG 2.93Å; A712-C715 PolarHBondContact O-N 3.07Å |
| 716 | Q | 29.3 | Very low | 35.5 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -105.9 | 80.1 | 172.2 | -74.5 | -167.5 | -26.1 | 0 | 0 | 112 | ||||
| 717 | Y | 28.5 | Very low | 34.7 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | trans | -121.5 | 145 | 157.1 | -92.1 | -83.8 | 0 | 0 | 0 | 110.3 | I719 | Y717-I719 PolarHBondContact O-N 3.08Š| ||
| 718 | H | 29.5 | Very low | 34 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.815 | 70% | 0.695 | S | S | * | * | trans | -38.9 | 125.8 | -171.8 | -103.4 | -72.6 | 0 | 0 | 0 | 115.4 | ||||
| 719 | I | 26.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -96.9 | 114.5 | 145.8 | -60.2 | 175.5 | 0 | 0 | 0 | 106.3 | Y717 | Y717-I719 PolarHBondContact O-N 3.08Š| ||
| 720 | P | 29.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | -76.2 | 130.1 | 168.9 | -16 | 32 | 0 | 0 | 0 | 110.8 | H722 | P720-H722 PolarHBondContact O-N 3.37Å; P720-H722 VanDerWaalsContact O-N 3.1Å | ||
| 721 | E | 27.2 | Very low | 31.9 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -73 | 97.2 | 175.7 | -69.4 | -179 | 101.5 | 0 | 0 | 111.8 | ||
| 722 | H | 29.6 | Very low | 31.7 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -171.1 | 100.7 | 141.7 | -124.1 | -101.2 | 0 | 0 | 0 | 112.2 | P720 | P720-H722 PolarHBondContact O-N 3.37Å; P720-H722 VanDerWaalsContact O-N 3.1Å | ||
| 723 | L | 32.9 | Very low | 30.9 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -177.2 | 138 | 146.5 | -102.9 | 156.9 | 0 | 0 | 0 | 111.6 | ||
| 724 | Q | 33.2 | Very low | 30.3 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 59.4 | 73.9 | 163.9 | -54.9 | -170.2 | 9.1 | 0 | 0 | 118.4 | ||||
| 725 | Q | 29.6 | Very low | 29.6 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 130 | 138.9 | -72.6 | -173 | 3.9 | 0 | 0 | 109.4 | ||||
| 726 | N | 32.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -147.8 | 150.3 | 154.6 | -120.6 | -25 | 0 | 0 | 0 | 109.5 | ||||
| 727 | K | 32 | Very low | 29.5 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 70% | 0.7 | 79% | 0.788 | S | S | * | * | trans | -116.2 | 136.9 | -151 | -83.6 | 179.3 | 175.5 | 174.2 | 0 | 116.1 | ||||
| 728 | I | 28.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 65% | 0.651 | 78% | 0.779 | S | S | * | * | trans | 58.2 | 114.4 | 133.6 | -56 | 167.4 | 0 | 0 | 0 | 118.5 | ||||
| 729 | Y | 29.3 | Very low | 29.4 | Very low | 224 Ų | 224 | 148.3 Ų | 148.3 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | -158.2 | 141.9 | 129.1 | -79.4 | -69.8 | 0 | 0 | 0 | 107.2 | |||||
| 730 | D | 29.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | cis | -163.4 | -175.4 | -22.7 | -150.5 | -23.2 | 0 | 0 | 0 | 109.3 | ||||
| 731 | L | 29.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 45.5 | 96.3 | 153.9 | -63 | 166.1 | 0 | 0 | 0 | 116.9 | ||||
| 732 | S | 30.2 | Very low | 29.8 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | -171.3 | 126 | 73.2 | 54 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 733 | S | 27.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 37.6 | 102.3 | 155.5 | 58.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 734 | S | 27.8 | Very low | 29.8 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -159.9 | 136.9 | 84.4 | 42.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 735 | S | 28 | Very low | 29.6 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 51.9 | 100.2 | 154.3 | -59.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 736 | M | 27.2 | Very low | 29.6 | Very low | 165 Ų | 165 | 144 Ų | 144 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 80.2 | 106.6 | 131.3 | -62.6 | -171.4 | -178.8 | 0 | 0 | 121.4 | ||||
| 737 | N | 29.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 86 | 137.6 | 132.3 | -60.1 | -13.4 | 0 | 0 | 0 | 120.7 | ||||
| 738 | V | 27.2 | Very low | 29.3 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | cis | 167.6 | 140.6 | -46 | 151.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 739 | Q | 29.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 66.9 | 161.6 | 164.2 | -80.1 | 167.6 | -23.4 | 0 | 0 | 117.5 | ||||
| 740 | L | 30.6 | Very low | 29.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 67% | 0.665 | 74% | 0.74 | S | S | * | * | cis | -147.5 | 131.6 | -6.1 | -104.8 | 150.7 | 0 | 0 | 0 | 106.8 | ||||
| 741 | N | 30.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | 71.4 | 126.2 | 98.5 | -83 | 27.5 | 0 | 0 | 0 | 120 | |||||
| 742 | N | 30.4 | Very low | 29 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | 76.3 | 146.2 | 132.7 | -60 | 4.4 | 0 | 0 | 0 | 123.2 | ||||
| 743 | E | 30.7 | Very low | 28.7 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | 65 | 138.1 | 166.7 | -37.7 | -157.5 | -175.5 | 0 | 0 | 115.7 | ||||
| 744 | H | 32.9 | Very low | 28.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | cis | -113.6 | 156 | 6.3 | -65.5 | -102.8 | 0 | 0 | 0 | 110.4 | ||||
| 745 | H | 29 | Very low | 28.8 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | cis | 79.4 | 111.7 | 8.6 | -158.4 | 63.8 | 0 | 0 | 0 | 118.5 | ||||
| 746 | K | 29.2 | Very low | 28.7 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 72.6 | 82.2 | 176.3 | -59.8 | 178.2 | -177.8 | 176 | 0 | 118 | ||||
| 747 | S | 31.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -157.5 | 149.5 | 135.6 | -153.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 748 | F | 27.7 | Very low | 28.7 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | 43.6 | 72.2 | 172 | -86.4 | -92.7 | 0 | 0 | 0 | 118.7 | ||||
| 749 | Q | 27.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -101.8 | 107.8 | 141.8 | -104.5 | -72.9 | 7.8 | 0 | 0 | 107.9 | ||||
| 750 | T | 29.3 | Very low | 28.8 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 55% | 0.546 | 75% | 0.752 | S | S | . | * | trans | -152.4 | 143.9 | 171.4 | -29.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 751 | F | 27.1 | Very low | 28.8 | Very low | 195 Ų | 195 | 142 Ų | 142 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | 69 | 55.9 | 177.1 | -70.7 | -78 | 0 | 0 | 0 | 117.8 | ||||
| 752 | I | 25.8 | Very low | 29 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -117.2 | 143.8 | 131.4 | -70.1 | -178.3 | 0 | 0 | 0 | 107.3 | ||
| 753 | T | 25.1 | Very low | 29 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 48.2 | 98 | 171.1 | 51.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 754 | T | 28.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | -151.2 | 128.8 | 120.7 | 39 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 755 | E | 27.8 | Very low | 28.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 66.9 | 88.5 | 58.3 | -157.8 | 159.3 | -139.8 | 0 | 0 | 109.1 | |||||
| 756 | L | 26.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | 88.4 | 150.9 | 100.6 | -83.4 | -178.1 | 0 | 0 | 0 | 113 | |||||
| 757 | D | 25.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 68.9 | 153.8 | 165.4 | -55 | -25.4 | 0 | 0 | 0 | 120.4 | ||||
| 758 | A | 29.8 | Very low | 28.8 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 65.2 | 133.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 759 | E | 28.2 | Very low | 28.6 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | cis | -170.4 | 153.2 | -28.7 | -128.6 | 167.4 | -157.6 | 0 | 0 | 109.8 | ||||
| 760 | A | 29.9 | Very low | 28.5 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | 63.3 | 156.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 761 | S | 32.1 | Very low | 28.4 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -146.2 | 161.4 | 1.7 | 30.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 762 | H | 35 | Very low | 28.4 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | trans | 71.1 | 100.9 | 179.2 | -59.3 | -51.4 | 0 | 0 | 0 | 115.7 | ||||
| 763 | N | 30.3 | Very low | 28.7 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | 84.5 | 131.6 | 65.9 | -70.8 | 2.5 | 0 | 0 | 0 | 111.5 | |||||
| 764 | I | 31.9 | Very low | 28.8 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | -146.3 | 157.7 | -0.5 | -115.8 | 158.6 | 0 | 0 | 0 | 109.5 | ||||
| 765 | S | 27.2 | Very low | 28.9 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | -61.8 | 158.3 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 766 | N | 30.6 | Very low | 29 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | -153.4 | 129.7 | 115.9 | -97.9 | -16.5 | 0 | 0 | 0 | 112.2 | |||||
| 767 | N | 27.6 | Very low | 29 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | -81.7 | -168.3 | 158.2 | -73.2 | -36.6 | 0 | 0 | 0 | 109.2 | ||||
| 768 | N | 30 | Very low | 29.1 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | 87 | 118.6 | 177.4 | -53.5 | -9.9 | 0 | 0 | 0 | 111.7 | ||||
| 769 | C | 24.6 | Very low | 28.9 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 72% | 0.716 | 73% | 0.726 | S | S | * | * | 73.4 | 132.4 | 61.9 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 770 | D | 26.1 | Very low | 29 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | trans | 70.7 | 117.1 | 158.2 | -54 | -27.4 | 0 | 0 | 0 | 119.9 | ||||
| 771 | N | 25.9 | Very low | 29 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | 78.9 | 118.3 | 128.8 | -73.2 | -30.6 | 0 | 0 | 0 | 122.3 | |||||
| 772 | V | 27.2 | Very low | 28.9 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | 65.9 | 95.2 | 120 | -178.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 773 | N | 31.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | -179.4 | 144.7 | 108.8 | -91.2 | -46.7 | 0 | 0 | 0 | 108.3 | |||||
| 774 | N | 27.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | 52.2 | 132 | 70.7 | -53.6 | -37.1 | 0 | 0 | 0 | 111.1 | |||||
| 775 | D | 32.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | cis | -159.9 | 170.4 | 37.8 | -121 | -41.2 | 0 | 0 | 0 | 114.2 | ||||
| 776 | T | 30.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 24.4 | 129.4 | 155.9 | 59.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 777 | N | 26.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | 68.3 | 137.4 | 58.9 | -156.3 | -5.8 | 0 | 0 | 0 | 113.9 | |||||
| 778 | K | 27.8 | Very low | 29.3 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | 74.5 | 152.7 | 174.1 | -61.3 | 179.7 | 169.3 | -179.7 | 0 | 116.4 | ||||
| 779 | I | 26.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 61% | 0.605 | 74% | 0.735 | S | S | * | * | cis | -162.7 | 158.3 | -5.6 | -118 | 172 | 0 | 0 | 0 | 112.5 | ||||
| 780 | H | 28.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | 62.6 | 166 | 167.5 | -67.7 | -28.8 | 0 | 0 | 0 | 116.8 | ||||
| 781 | S | 30.7 | Very low | 29.7 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | -154.2 | 150.7 | 16.9 | -23.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 782 | Y | 30.4 | Very low | 29.8 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 50.6 | 114.9 | 148.1 | -60.8 | -57.1 | 0 | 0 | 0 | 120.9 | ||||
| 783 | E | 30.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | 75.1 | 141.4 | 95.2 | -76.8 | -178.6 | -157.9 | 0 | 0 | 115.1 | |||||
| 784 | K | 33.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | cis | -153.1 | 155 | 26.7 | -131.4 | 151 | -176.6 | 131.9 | 0 | 113.2 | ||||
| 785 | L | 32 | Very low | 29.7 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -87.3 | -171.9 | 164.4 | -73 | 165.5 | 0 | 0 | 0 | 109.7 | ||||
| 786 | P | 36.5 | Very low | 29.5 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | cis | -137 | -170.5 | 0.6 | 42.1 | -23.5 | 0 | 0 | 0 | 115.2 | ||||
| 787 | G | 33 | Very low | 29.4 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 160.5 | 70.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 788 | C | 25.4 | Very low | 29.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -100.1 | 160.4 | 163.3 | -64 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 789 | P | 33.4 | Very low | 29.4 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | -143.9 | 162.7 | 94.3 | 38.3 | -24 | 0 | 0 | 0 | 115.6 | |||||
| 790 | K | 25.9 | Very low | 29.5 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -98.4 | 153.8 | 163.1 | -64.7 | 177 | 176.7 | 179.1 | 0 | 109.5 | ||||
| 791 | S | 28.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 153.1 | 162.4 | 120.3 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 792 | N | 29.6 | Very low | 29.4 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 76.1 | 88.3 | 153.6 | -61.1 | -10.5 | 0 | 0 | 0 | 121.2 | ||||
| 793 | V | 26.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 43.9 | 111.5 | 113.6 | -178 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 794 | S | 29.2 | Very low | 29.1 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | -166.9 | 133.2 | 121.9 | 19.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 795 | S | 27 | Very low | 29 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | -6 | 141.1 | 152.1 | 52.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 796 | F | 29.5 | Very low | 28.6 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 77% | 0.772 | 80% | 0.796 | S | S | * | * | -167 | 137.1 | 71 | -105.4 | -93.3 | 0 | 0 | 0 | 113.7 | |||||
| 797 | Y | 27.4 | Very low | 28.4 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 40.6 | 112.9 | 144.4 | -83.6 | -110.8 | 0 | 0 | 0 | 122.1 | ||||
| 798 | S | 26.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 157.5 | 137.9 | 103.9 | -74.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 799 | K | 27.3 | Very low | 28.3 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 155.2 | 154.6 | -66.8 | 175.5 | 178.5 | 179.9 | 0 | 119.4 | ||||
| 800 | G | 28.5 | Very low | 28 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 83.5 | 103.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 801 | S | 26 | Very low | 28.1 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | cis | 69 | 67.4 | 13.4 | 84.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 802 | E | 30.3 | Very low | 28 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -145.3 | 158.3 | 160.3 | -135.1 | 159.9 | -129.1 | 0 | 0 | 111.3 | ||||
| 803 | Y | 27.1 | Very low | 28.1 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 98 | -157 | -133.6 | -91.2 | 0 | 0 | 0 | 111.8 | ||||
| 804 | F | 28.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | trans | -142.4 | 146.5 | 170.2 | -75.5 | -88.9 | 0 | 0 | 0 | 106.8 | ||||
| 805 | D | 30.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | -143.5 | 168.1 | 19 | -105.5 | -51.5 | 0 | 0 | 0 | 113.1 | ||||
| 806 | Y | 24.5 | Very low | 28.1 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -136.5 | 101 | 168.4 | -115.4 | -62.1 | 0 | 0 | 0 | 111.8 | ||||
| 807 | P | 32.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -90.4 | 139.7 | 167.9 | -7.8 | 27.1 | 0 | 0 | 0 | 111.8 | ||||
| 808 | C | 25.4 | Very low | 28.1 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | -107.1 | 135 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 809 | W | 30.3 | Very low | 28.1 | Very low | 218 Ų | 218 | 155.5 Ų | 155.5 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -135 | 131.1 | 158.6 | -68.5 | 90.1 | 0 | 0 | 0 | 106.7 | ||||
| 810 | L | 27.6 | Very low | 28.1 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 57.2 | 133.6 | 78.8 | -78.3 | 155.5 | 0 | 0 | 0 | 111.8 | |||||
| 811 | R | 27.8 | Very low | 28 | Very low | 210 Ų | 210 | 157.3 Ų | 157.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -149 | 177.5 | 25.9 | -165.5 | 170.3 | 175.1 | -141.8 | -0.2 | 112.7 | ||||
| 812 | S | 26.9 | Very low | 28 | Very low | 89 Ų | 89 | 160 Ų | 160 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | -76.8 | 157.7 | 173.5 | 54 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 813 | E | 31.8 | Very low | 27.8 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -146 | 168.2 | 143.6 | -136.2 | 147 | -114.5 | 0 | 0 | 111.5 | ||||
| 814 | N | 29.6 | Very low | 27.8 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -119.3 | 148.6 | -158.4 | -89.1 | -24.7 | 0 | 0 | 0 | 114.5 | ||||
| 815 | S | 26.6 | Very low | 27.6 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 44.6 | 114.9 | 146.3 | 63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 816 | A | 25.6 | Very low | 27.4 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | 65.5 | 126.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 817 | I | 29.7 | Very low | 27.4 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | -160.1 | 170.4 | 105.2 | -100.1 | 160.6 | 0 | 0 | 0 | 110.1 | |||||
| 818 | Y | 27.8 | Very low | 27.2 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -61.8 | 171.8 | -165.8 | -105.3 | -128.5 | 0 | 0 | 0 | 118 | ||||
| 819 | M | 25.2 | Very low | 27.5 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -23.7 | 158.8 | 154.4 | -47.2 | -162.8 | -59.6 | 0 | 0 | 116.1 | ||||
| 820 | W | 27 | Very low | 27.5 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | cis | -166.3 | 150.5 | 36.4 | -151.8 | 15.5 | 0 | 0 | 0 | 114.2 | ||||
| 821 | N | 26.7 | Very low | 27.8 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 58% | 0.583 | 77% | 0.769 | S | S | * | * | trans | 58.9 | 133.2 | 145.4 | -84.3 | -8 | 0 | 0 | 0 | 123.7 | ||||
| 822 | K | 26.5 | Very low | 27.9 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 83.6 | 120.2 | 134.2 | -90.7 | -167.2 | 170.1 | -171.9 | 0 | 121.6 | ||||
| 823 | T | 26.4 | Very low | 28 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | 45.6 | 133.6 | 128 | 61 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 824 | T | 26.3 | Very low | 28 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | cis | -163.4 | 173.6 | 6.7 | 4.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 825 | E | 24.7 | Very low | 28 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 10.7 | 131.3 | 150 | -58.1 | 173.9 | 146.1 | 0 | 0 | 120.1 | ||||
| 826 | I | 26.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -156.4 | 142.3 | 133.3 | -104.4 | 151.9 | 0 | 0 | 0 | 109.1 | ||||
| 827 | C | 24.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -95.3 | 152 | -171.7 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 828 | V | 29 | Very low | 28.7 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -146.7 | 126.1 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 829 | S | 31.6 | Very low | 29 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | -161.2 | 141.4 | -8.6 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 830 | E | 29.7 | Very low | 29.4 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -78.9 | 158.2 | 169 | -64.3 | -175.6 | 141.7 | 0 | 0 | 112.6 | ||||
| 831 | P | 33 | Very low | 29.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -107.7 | 123.7 | 150.3 | 34.1 | -23.6 | 0 | 0 | 0 | 111.9 | ||||
| 832 | N | 29.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 39.8 | 134.5 | 135.6 | -56.9 | -25.1 | 0 | 0 | 0 | 120.2 | ||||
| 833 | T | 29 | Very low | 29.9 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | cis | -175.1 | 139.5 | 5.8 | 15.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 834 | S | 32.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -159.2 | 162 | 149.2 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 835 | L | 29.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -128.6 | 153.9 | -157.6 | -114 | 161.3 | 0 | 0 | 0 | 112.4 | ||||
| 836 | I | 32.7 | Very low | 30.9 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | trans | 88.7 | 106.5 | 158.3 | -61.4 | 154 | 0 | 0 | 0 | 118.3 | ||||
| 837 | N | 32.9 | Very low | 31.2 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | 46 | 147.6 | 127.3 | -51.9 | -7.9 | 0 | 0 | 0 | 121.7 | |||||
| 838 | N | 32.3 | Very low | 31.6 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | cis | -166.8 | 155.8 | -12.4 | -109.2 | -20.1 | 0 | 0 | 0 | 110.6 | ||||
| 839 | Q | 33.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 40.9 | 109.5 | 145.5 | -66 | 174.2 | -10.4 | 0 | 0 | 119.1 | ||||
| 840 | S | 32.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | 71.6 | 152.9 | 83.8 | 80.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 841 | S | 31.8 | Very low | 32 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | -167.9 | 150.3 | 24.1 | -10.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 842 | W | 29.4 | Very low | 32 | Very low | 224 Ų | 224 | 131.8 Ų | 131.8 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | 71.1 | 157.5 | 147.9 | -64.3 | 31.9 | 0 | 0 | 0 | 117.9 | ||||
| 843 | S | 30.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -164.1 | 146.6 | -13.1 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 844 | K | 30 | Very low | 32.4 | Very low | 202 Ų | 202 | 131.7 Ų | 131.7 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | 22.9 | 116.4 | 152.5 | -67.6 | -179.1 | 178.8 | 177.1 | 0 | 122.9 | ||||
| 845 | S | 31.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | 62.4 | 169.6 | 117.2 | -111.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 846 | P | 38.3 | Very low | 32.5 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | cis | -135.9 | -162.9 | -43.5 | 27 | -2.9 | 0 | 0 | 0 | 114.4 | ||||
| 847 | V | 31.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | 101.8 | 121.5 | 149.1 | -169.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 848 | N | 32.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 66.1 | 161.3 | 151.9 | -70.8 | 15.9 | 0 | 0 | 0 | 120.9 | ||||
| 849 | E | 32.9 | Very low | 32 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | cis | -162.5 | 163.1 | 6.6 | -131.4 | 160.2 | -142.7 | 0 | 0 | 116 | ||||
| 850 | I | 34.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | trans | 73.4 | 112.7 | 140 | -86.9 | 160.4 | 0 | 0 | 0 | 125.3 | ||||
| 851 | T | 33.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | trans | 58.2 | 147.1 | 138.8 | 69.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 852 | G | 33 | Very low | 31.5 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | 165.3 | 94.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 853 | Q | 35.5 | Very low | 31.3 | Very low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | 42.4 | 112.3 | 145.6 | -72.8 | 174 | -12.6 | 0 | 0 | 120.1 | ||||
| 854 | S | 31.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | 63 | 126.5 | 80.1 | 74.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 855 | I | 34.5 | Very low | 31.3 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | -178.9 | 139.6 | 93.6 | -93.8 | 157.7 | 0 | 0 | 0 | 109.6 | |||||
| 856 | N | 29.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | 37.4 | 159.7 | 140.4 | -58.7 | 26.6 | 0 | 0 | 0 | 121.7 | ||||
| 857 | E | 29.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | cis | -172.7 | 171.4 | -8 | -112 | 170.8 | 139.1 | 0 | 0 | 108.2 | ||||
| 858 | L | 29.3 | Very low | 30.7 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | 63.7 | 158.5 | 155.4 | -65.3 | 148.4 | 0 | 0 | 0 | 117.1 | ||||
| 859 | S | 26.9 | Very low | 30.4 | Very low | 70 Ų | 70 | 135 Ų | 135 | 49% | 0.49 | 74% | 0.736 | S | S | . | * | cis | -171.8 | 156.8 | -30.8 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 860 | H | 31.5 | Very low | 30.1 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 68.8 | 155.8 | 165.2 | -53.6 | -13.3 | 0 | 0 | 0 | 114.5 | ||||
| 861 | S | 29.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | cis | -166.2 | 159.1 | -19.5 | 44.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 862 | Q | 27.2 | Very low | 29.8 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 37.1 | 102.4 | 144.4 | -71 | 172.3 | -83.7 | 0 | 0 | 117.6 | ||||
| 863 | S | 25.3 | Very low | 29.8 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | 67.6 | 123.8 | 85.4 | 73 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 864 | D | 29.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -168.6 | 143.8 | 134.9 | -97.1 | -18.2 | 0 | 0 | 0 | 113.1 | ||||
| 865 | Y | 30 | Very low | 29.7 | Very low | 227 Ų | 227 | 139.8 Ų | 139.8 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -94.6 | 140 | 157.1 | -100.8 | -97.6 | 0 | 0 | 0 | 106.9 | ||||
| 866 | P | 34.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | -142.5 | 166.2 | 92.9 | 27.7 | -6.1 | 0 | 0 | 0 | 112 | |||||
| 867 | Q | 27.2 | Very low | 29.8 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | cis | 73.5 | 133.4 | 43.1 | -149.8 | 178 | 19.7 | 0 | 0 | 113.6 | ||||
| 868 | A | 27.4 | Very low | 30 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 71.5 | 153 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 869 | L | 26.4 | Very low | 30.2 | Very low | 146 Ų | 146 | 137 Ų | 137 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | cis | -160.4 | 138.7 | -17.3 | -134.3 | 99 | 0 | 0 | 0 | 111 | ||||
| 870 | F | 27.5 | Very low | 30.5 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 63 | 157.7 | 147.4 | -91 | -117.1 | 0 | 0 | 0 | 125.2 | ||||
| 871 | H | 29.4 | Very low | 30.4 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | 66.2 | 114.8 | 166.2 | -82.6 | -83.3 | 0 | 0 | 0 | 119 | ||||
| 872 | V | 30.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 84.7 | 132.4 | 69.1 | 160.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 873 | Q | 33.9 | Very low | 30.4 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | cis | -163.3 | 147.2 | 40.5 | -154.5 | 155.6 | 20.2 | 0 | 0 | 114.5 | ||||
| 874 | G | 31.6 | Very low | 30.9 | Very low | 66 Ų | 66 | 144.8 Ų | 144.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 70.3 | 152.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 875 | N | 33.5 | Very low | 31 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | cis | -150.3 | 172.2 | -1.8 | -108.9 | -5.5 | 0 | 0 | 0 | 112.5 | ||||
| 876 | Q | 30.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -58.3 | 166.8 | -175 | -63 | 173.3 | -37.4 | 0 | 0 | 114.5 | ||||
| 877 | V | 35.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | -161.3 | 141 | 61.3 | 163 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 878 | S | 32.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 8.6 | 147.8 | 162.4 | 64.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 879 | S | 34.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -160.6 | 148.9 | 6.5 | 36.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 880 | E | 32.6 | Very low | 31.7 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 86.1 | 152.1 | -66.9 | 178.2 | -174.7 | 0 | 0 | 119.9 | ||||
| 881 | H | 30.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 146.4 | 147 | -82.4 | -115.3 | 0 | 0 | 0 | 109.5 | ||||
| 882 | I | 28.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | 56.1 | 131.6 | 73.7 | -44.8 | 172 | 0 | 0 | 0 | 114 | |||||
| 883 | L | 28.9 | Very low | 32 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | 111 | 152.8 | 161 | -76.6 | 122.7 | 0 | 0 | 0 | 121.1 | ||||
| 884 | T | 34.5 | Very low | 31.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | -76.3 | -170.6 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 885 | P | 33.5 | Very low | 32 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -141.8 | -148.3 | 8.9 | 45.1 | -22.8 | 0 | 0 | 0 | 115.4 | ||||
| 886 | L | 30.9 | Very low | 31.7 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -89.3 | 140.2 | -179.5 | 168.2 | 75.8 | 0 | 0 | 0 | 113 | ||||
| 887 | E | 30.9 | Very low | 31.7 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -177 | 170.8 | 137.6 | -111.7 | 180 | -164.6 | 0 | 0 | 116 | ||||
| 888 | S | 34.5 | Very low | 31.3 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 128.7 | -176.5 | 71.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 889 | M | 29 | Very low | 31.2 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | cis | 78.6 | 133.2 | 26.9 | -54.2 | 174.2 | 71.7 | 0 | 0 | 114 | ||||
| 890 | Q | 33.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | cis | -167.7 | 152 | 3.8 | -122.8 | 176.8 | -3.6 | 0 | 0 | 111.4 | ||||
| 891 | M | 30.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | 51.4 | 156 | 151.3 | -69.4 | -167.6 | -79.5 | 0 | 0 | 120.1 | ||||
| 892 | T | 31 | Very low | 30.7 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | -163.9 | 176.9 | -5 | 15.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 893 | A | 32.7 | Very low | 30.8 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | cis | -155.1 | 148.2 | 2.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 894 | V | 30.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 48.8 | 107 | 100.4 | -172.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 895 | T | 34 | Very low | 31.1 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -179.7 | 101.1 | 143.5 | -73.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 896 | I | 28.3 | Very low | 31.3 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | 57.6 | 103.5 | 83.1 | -54.9 | 176.5 | 0 | 0 | 0 | 114.7 | |||||
| 897 | G | 29.2 | Very low | 31.5 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | 105.2 | 113 | 127 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 898 | Q | 27.6 | Very low | 31.6 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 72.4 | 150.6 | 140.8 | -53.2 | -170.3 | 5.4 | 0 | 0 | 121.6 | ||||
| 899 | R | 28.9 | Very low | 31.6 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | 68.2 | 122.7 | 162.2 | -65.2 | 160.6 | -171.3 | -155.4 | -2.9 | 115.8 | ||||
| 900 | S | 27.4 | Very low | 31.8 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | cis | 78.3 | 131.4 | 40.3 | 81.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 901 | H | 29.7 | Very low | 31.9 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 78% | 0.782 | 72% | 0.717 | S | S | * | * | trans | 70.2 | 152.8 | 173.2 | -60.1 | -74.4 | 0 | 0 | 0 | 114.6 | ||||
| 902 | I | 30.2 | Very low | 32.1 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | cis | -157 | 146.9 | -3.8 | -126.7 | 164.9 | 0 | 0 | 0 | 111.9 | ||||
| 903 | A | 30.7 | Very low | 32.3 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | trans | 58.1 | 173.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 904 | S | 34.8 | Very low | 32.3 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | -151.6 | 149.6 | 10.9 | -35.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 905 | H | 36 | Very low | 32.4 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 67.2 | 150.1 | 148.6 | -64.5 | -34.6 | 0 | 0 | 0 | 119.2 | ||||
| 906 | Q | 37.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 133 Ų | 133 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | cis | -153.7 | 144 | 2.3 | -124.3 | 153.3 | 37.4 | 0 | 0 | 111.4 | ||||
| 907 | Q | 34.8 | Very low | 32.1 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | 34.8 | 142.8 | 133.5 | -64.6 | 179.1 | -17.7 | 0 | 0 | 120.6 | ||||
| 908 | N | 33.2 | Very low | 32.2 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | cis | -168.5 | 162.9 | 8.8 | -118.4 | 0.8 | 0 | 0 | 0 | 113.2 | ||||
| 909 | N | 34.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | trans | 70.6 | 107.4 | 148.1 | -60.6 | -4.2 | 0 | 0 | 0 | 123.3 | ||||
| 910 | N | 33 | Very low | 32 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | 87.6 | 146.1 | 120.2 | -63.3 | 2.3 | 0 | 0 | 0 | 124 | |||||
| 911 | S | 35.5 | Very low | 32.1 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 88.3 | 95.9 | 154.7 | -0.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 912 | D | 34.9 | Very low | 32 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | 83 | 117.5 | 123.2 | -55 | -19.7 | 0 | 0 | 0 | 124 | |||||
| 913 | S | 35.1 | Very low | 32.1 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 100 | 111.8 | 133.8 | 74.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 914 | N | 32.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 65.1 | 133.5 | 142 | -57.4 | -16.7 | 0 | 0 | 0 | 119.7 | ||||
| 915 | Q | 33 | Very low | 31.9 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -160.3 | 149.8 | -4.3 | -126.2 | 170.8 | -26.4 | 0 | 0 | 111.7 | ||||
| 916 | N | 30.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | 60.8 | 90 | 158.3 | -55.9 | -15.2 | 0 | 0 | 0 | 118.6 | ||||
| 917 | D | 26 | Very low | 31.4 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -145.8 | 152 | 146.8 | -145.9 | -7 | 0 | 0 | 0 | 111.9 | ||||
| 918 | V | 30.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | trans | 17.5 | 106.7 | 174.5 | -165.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 919 | H | 28.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -165.6 | 129.6 | 131 | -111.3 | 46.3 | 0 | 0 | 0 | 109 | ||||
| 920 | C | 25.2 | Very low | 31.2 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 64% | 0.635 | 76% | 0.759 | S | S | * | * | 80.7 | 161.9 | 72.9 | -69.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 921 | E | 29 | Very low | 31.1 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 118.4 | 177.9 | -59.4 | -161.9 | 109.9 | 0 | 0 | 115.6 | ||||
| 922 | T | 28.1 | Very low | 31 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | 86.2 | 145.1 | 71.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 923 | L | 32 | Very low | 30.9 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 78 | 154.6 | 179.8 | -48.8 | 178.6 | 0 | 0 | 0 | 116.1 | ||||
| 924 | W | 29.9 | Very low | 30.4 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | cis | -174.1 | 111.6 | -29.7 | -179.7 | -110 | 0 | 0 | 0 | 109.6 | ||||
| 925 | N | 30.2 | Very low | 30.4 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 160.9 | 160.5 | -69.6 | -33.3 | 0 | 0 | 0 | 122.3 | ||||
| 926 | R | 30.8 | Very low | 30.1 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | 85.8 | 117 | 152.3 | -146.1 | 167.4 | -162.8 | 164.5 | 3.7 | 116 | ||||
| 927 | C | 33.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 148 Ų | 148 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | cis | -123.6 | 148.2 | -4.9 | -71.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 928 | N | 28.1 | Very low | 30.2 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | cis | 84 | 134.7 | 33.7 | -142.5 | 18.8 | 0 | 0 | 0 | 114.4 | ||||
| 929 | S | 32.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 78.3 | 120.9 | -168.7 | -55.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 930 | T | 36.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | cis | -140.3 | 162.3 | 3.1 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 931 | N | 31 | Very low | 30.3 | Very low | 141 Ų | 141 | 151 Ų | 151 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -36.5 | 151.2 | 168.1 | -54.3 | -62.1 | 0 | 0 | 0 | 113.9 | ||||
| 932 | I | 33.7 | Very low | 30.2 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -140.1 | 159.4 | 60.5 | -78.9 | 161.8 | 0 | 0 | 0 | 113 | |||||
| 933 | K | 33.1 | Very low | 30.4 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -73.1 | 154.5 | -168 | -55.3 | 173.4 | 175.6 | 178.5 | 0 | 114.9 | ||||
| 934 | C | 23.7 | Very low | 30.2 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -66 | 171.8 | 152.8 | -46 | 0 | 0 | 0 | 0 | 111 | ||||
| 935 | P | 32.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -140.2 | 148.8 | 81.6 | 37.2 | -22.8 | 0 | 0 | 0 | 115.2 | |||||
| 936 | T | 27.2 | Very low | 30 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -85.2 | 124.8 | 150.1 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 937 | E | 31.2 | Very low | 30 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -156.4 | 153.7 | 159.5 | -123.5 | 158.5 | -134.7 | 0 | 0 | 111.6 | ||||
| 938 | E | 27 | Very low | 29.6 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -82.5 | 142.8 | -169.5 | -53.3 | 166.7 | 128.6 | 0 | 0 | 111.6 | ||||
| 939 | M | 29.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 179.8 | 109 | 147.7 | -101.4 | 172.9 | -163.2 | 0 | 0 | 110 | ||||
| 940 | T | 29.4 | Very low | 29.7 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | 64.4 | 125.7 | 96.5 | 63.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 941 | T | 28.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 128.8 | 146 | 55.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 942 | D | 25.1 | Very low | 29.5 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 44 | 96.1 | 134 | -55.7 | -27 | 0 | 0 | 0 | 120.8 | ||||
| 943 | K | 33.7 | Very low | 29.4 | Very low | 198 Ų | 198 | 143.1 Ų | 143.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -171.7 | 133.4 | 132 | -94.9 | 134.9 | -150.3 | 157.7 | 0 | 107.6 | ||||
| 944 | K | 28.2 | Very low | 29.4 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | cis | 66.5 | 128.8 | 38.5 | -162.7 | -177.9 | -176.9 | 178.3 | 0 | 112.2 | ||||
| 945 | I | 27.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 71.7 | 124.4 | -164 | -46.8 | 155.8 | 0 | 0 | 0 | 108.5 | I947 | I945-I947 HydrophobicContact CG2-CG1 4.36Š| ||
| 946 | G | 27.3 | Very low | 29.6 | Very low | 62 Ų | 62 | 144 Ų | 144 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 124 | -168.8 | 18.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 947 | I | 29.8 | Very low | 29.9 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | 70.6 | 131.1 | -178.4 | -50.3 | 171.7 | 0 | 0 | 0 | 111.8 | I945 | I945-I947 HydrophobicContact CG2-CG1 4.36Š| ||
| 948 | I | 27 | Very low | 29.7 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 65% | 0.646 | 75% | 0.747 | S | S | * | * | cis | -177.7 | 174.2 | -27.9 | -111.1 | 158.6 | 0 | 0 | 0 | 104.6 | ||||
| 949 | E | 30.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 66.8 | 145.1 | 171.5 | -75.6 | 151.8 | -130.1 | 0 | 0 | 116 | ||||
| 950 | N | 31.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | cis | -137.8 | 129.5 | -9.5 | -100.7 | -46.5 | 0 | 0 | 0 | 106.8 | ||||
| 951 | S | 32 | Very low | 30.1 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | 90.6 | 131.6 | 64.3 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 952 | L | 31 | Very low | 30.3 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 70.6 | 151.3 | 171 | -49 | 164.2 | 0 | 0 | 0 | 114 | ||||
| 953 | L | 32.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | cis | -147.5 | 156.2 | 4.7 | -159.4 | 72.5 | 0 | 0 | 0 | 110.4 | ||||
| 954 | E | 32.8 | Very low | 30.6 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 24.8 | 145.5 | 155 | -72 | 147 | -145.4 | 0 | 0 | 123.4 | ||||
| 955 | G | 33.2 | Very low | 31 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -175 | 173.4 | 7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 956 | Y | 27 | Very low | 31.1 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -49.6 | 148.2 | -174.2 | -55.3 | -98.7 | 0 | 0 | 0 | 117.2 | ||||
| 957 | S | 32.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | -147.5 | 142.4 | 110.4 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 958 | T | 27.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 61% | 0.613 | 77% | 0.774 | S | S | * | * | trans | -106.4 | 152.5 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 959 | R | 31.6 | Very low | 31.9 | Very low | 250 Ų | 250 | 148.1 Ų | 148.1 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -154 | 137.4 | 131.7 | -116.4 | 165.5 | -169.3 | 179.5 | 3 | 113.1 | ||||
| 960 | N | 27 | Very low | 32.2 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -80 | 144.7 | -177.1 | -48.2 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 961 | V | 35.3 | Very low | 32.1 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -134.7 | 128.8 | 139.6 | -171.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 962 | T | 33.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -66.4 | 136.7 | 168.8 | 45.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 963 | G | 29.3 | Very low | 32.5 | Very low | 77 Ų | 77 | 154.3 Ų | 154.3 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | cis | 101.7 | 70.3 | 38.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 964 | E | 35.2 | Very low | 32.5 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -139.4 | 172.2 | 172.7 | -149.6 | 162 | -140.7 | 0 | 0 | 111.1 | ||||
| 965 | K | 35.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -94.6 | 131.1 | -148.8 | -69.6 | 173.4 | -177.8 | 170.1 | 0 | 115.1 | ||||
| 966 | I | 30.9 | Very low | 32.5 | Very low | 140 Ų | 140 | 160.6 Ų | 160.6 | 72% | 0.718 | 84% | 0.843 | S | S | * | * | 30.8 | 115.7 | 116.3 | -48.8 | 165 | 0 | 0 | 0 | 115.9 | |||||
| 967 | N | 35.5 | Very low | 32.8 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | -157.2 | 138 | 118.3 | -97.8 | -16.3 | 0 | 0 | 0 | 111.2 | |||||
| 968 | H | 30.2 | Very low | 32.9 | Very low | 176 Ų | 176 | 159.7 Ų | 159.7 | 82% | 0.815 | 84% | 0.842 | S | S | * | * | trans | -97 | 132.9 | 171.8 | -98.8 | -99.4 | 0 | 0 | 0 | 109 | ||||
| 969 | E | 34.8 | Very low | 33.2 | Very low | 177 Ų | 177 | 163.9 Ų | 163.9 | 83% | 0.827 | 86% | 0.858 | S | S | * | * | trans | 177.1 | 128.3 | 157.4 | -104.9 | 167.6 | -138.3 | 0 | 0 | 106.2 | ||||
| 970 | N | 37.5 | Very low | 33.4 | Very low | 147 Ų | 147 | 157.3 Ų | 157.3 | 79% | 0.786 | 85% | 0.852 | S | S | * | * | cis | -132.4 | 164.6 | 4.7 | -79.2 | -80.7 | 0 | 0 | 0 | 110.9 | ||||
| 971 | L | 29 | Very low | 33.9 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | trans | -130.4 | 114 | 177.7 | -144 | 173.3 | 0 | 0 | 0 | 109.4 | ||||
| 972 | T | 39.3 | Very low | 33.8 | Very low | 204 Ų | 204 | 160 Ų | 160 | 100% | 1.252 | 86% | 0.859 | S | S | * | * | trans | -149 | 0 | 170.1 | 53.1 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 972 of 972 residues in 435 ms
(Link to these results)