| 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 | 44.2 | Very low | 43.6 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 50% | 0.498 | 58% | 0.58 | S | S | . | * | 0 | -56 | 0 | -68.3 | -56.3 | -121.1 | 0 | 0 | 111.7 | L3 I4 S5 F16 F20 | M1-L3 PolarHBondContact O-N 3.5Å; M1-I4 CarbonylContact O-C 3.59Å; M1-I4 WeakPolarHBondContact O-CA 3.38Å; M1-I4 WeakPolarHBondContact O-CB 3.38Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 HydrophobicContact SD-CD1 3.7Å; M1-I4 HydrophobicContact SD-CG1 4.47Å; M1-S5 PolarHBondContact O-N 3.07Å; M1-S5 PolarHBondContact O-OG 2.81Å; M1-F16 HydrophobicContact CE-CD1 4.07Å; M1-F16 HydrophobicContact CE-CE1 3.76Å; M1-F20 HydrophobicContact CG-CZ 4.48Å | |||
| 2 | C | 45.6 | Very low | 43.1 | Very low | 88 Ų | 88 | 117.3 Ų | 117.3 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -54.5 | -37.4 | 166.5 | -59.5 | 0 | 0 | 0 | 0 | 112 | I4 S5 L6 | C2-I4 VanDerWaalsContact C-N 3.3Å; C2-I4 PolarHBondContact O-N 3.36Å; C2-S5 WeakPolarHBondContact CA-OG 3.14Å; C2-S5 PolarHBondContact O-N 3.34Å; C2-S5 PolarHBondContact O-OG 3.46Å; C2-L6 WeakPolarHBondContact O-CB 3.31Å; C2-L6 WeakPolarHBondContact O-CG 3.28Å; C2-L6 PolarHBondContact O-N 3.09Å |
| 3 | L | 47 | Very low | 43.5 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -29.3 | 172.2 | -132.2 | 135.9 | 0 | 0 | 0 | 113 | M1 L7 | M1-L3 PolarHBondContact O-N 3.5Å; L3-L7 HydrophobicContact CD2-CD1 4.03Å; L3-L7 WeakPolarHBondContact O-CB 3.34Å; L3-L7 WeakPolarHBondContact O-CD1 3.49Å; L3-L7 WeakPolarHBondContact O-CG 3.42Å; L3-L7 PolarHBondContact O-N 3.25Å |
| 4 | I | 50.2 | Low | 43.3 | Very low | 86 Ų | 86 | 106.1 Ų | 106.1 | 44% | 0.441 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.1 | -38.5 | 177.4 | -59.5 | -175.5 | 0 | 0 | 0 | 110.9 | M1 C2 L6 L7 K8 | M1-I4 CarbonylContact O-C 3.59Å; M1-I4 WeakPolarHBondContact O-CA 3.38Å; M1-I4 WeakPolarHBondContact O-CB 3.38Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 HydrophobicContact SD-CD1 3.7Å; M1-I4 HydrophobicContact SD-CG1 4.47Å; C2-I4 VanDerWaalsContact C-N 3.3Å; C2-I4 PolarHBondContact O-N 3.36Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-L7 PolarHBondContact O-N 3.48Å; I4-K8 PolarHBondContact O-N 3.22Å |
| 5 | S | 46.9 | Very low | 43 | Very low | 31 Ų | 31 | 104.5 Ų | 104.5 | 22% | 0.217 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 172.3 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | M1 C2 K8 P9 | M1-S5 PolarHBondContact O-N 3.07Å; M1-S5 PolarHBondContact O-OG 2.81Å; C2-S5 WeakPolarHBondContact CA-OG 3.14Å; C2-S5 PolarHBondContact O-N 3.34Å; C2-S5 PolarHBondContact O-OG 3.46Å; S5-K8 CarbonylContact O-C 3.57Å; S5-K8 VanDerWaalsContact O-C 3.24Å; S5-K8 PolarHBondContact O-N 3.42Å; S5-P9 WeakPolarHBondContact O-CA 3.48Å |
| 6 | L | 46.6 | Very low | 43 | Very low | 143 Ų | 143 | 105.9 Ų | 105.9 | 75% | 0.749 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 169.2 | -85.2 | 159.5 | 0 | 0 | 0 | 112.1 | C2 I4 K8 | C2-L6 WeakPolarHBondContact O-CB 3.31Å; C2-L6 WeakPolarHBondContact O-CG 3.28Å; C2-L6 PolarHBondContact O-N 3.09Å; I4-L6 VanDerWaalsContact C-N 3.33Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.43Å |
| 7 | L | 49.2 | Very low | 42.9 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 67% | 0.67 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.8 | -23.6 | 178.3 | -75.7 | 165.9 | 0 | 0 | 0 | 113.5 | L3 I4 | L3-L7 HydrophobicContact CD2-CD1 4.03Å; L3-L7 WeakPolarHBondContact O-CB 3.34Å; L3-L7 WeakPolarHBondContact O-CD1 3.49Å; L3-L7 WeakPolarHBondContact O-CG 3.42Å; L3-L7 PolarHBondContact O-N 3.25Å; I4-L7 PolarHBondContact O-N 3.48Å |
| 8 | K | 34.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | trans | -146.8 | 81.5 | 179.9 | -74 | -159.9 | 174.2 | -165.8 | 0 | 111.8 | I4 S5 L6 E10 I11 Y13 | I4-K8 PolarHBondContact O-N 3.22Å; S5-K8 CarbonylContact O-C 3.57Å; S5-K8 VanDerWaalsContact O-C 3.24Å; S5-K8 PolarHBondContact O-N 3.42Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.43Å; K8-E10 VanDerWaalsContact C-N 3.26Å; K8-E10 PolarHBondContact O-N 3.48Å; K8-I11 HydrophobicContact CB-CD1 4.49Å; K8-I11 HydrophobicContact CD-CD1 4.34Å; K8-Y13 WeakPolarHBondContact CB-OH 3.31Å; K8-Y13 WeakPolarHBondContact O-CE2 3.46Å; K8-Y13 PolarHBondContact O-OH 3Å | ||
| 9 | P | 38 | Very low | 42.6 | Very low | 102 Ų | 102 | 107.1 Ų | 107.1 | 66% | 0.662 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.1 | -177.6 | 26 | -33.2 | 0 | 0 | 0 | 114.3 | S5 I11 | S5-P9 WeakPolarHBondContact O-CA 3.48Å; P9-I11 VanDerWaalsContact C-N 3.29Å; P9-I11 PolarHBondContact O-N 2.9Å |
| 10 | E | 34.1 | Very low | 42.7 | Very low | 186 Ų | 186 | 105.5 Ų | 105.5 | 87% | 0.869 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.6 | -172.8 | -62.6 | 164.6 | 179.7 | 0 | 0 | 114.6 | K8 | K8-E10 VanDerWaalsContact C-N 3.26Å; K8-E10 PolarHBondContact O-N 3.48Å |
| 11 | I | 43 | Very low | 42.8 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -92.3 | 126.6 | -178.3 | -60.6 | 175 | 0 | 0 | 0 | 108.8 | K8 P9 Y13 | K8-I11 HydrophobicContact CB-CD1 4.49Å; K8-I11 HydrophobicContact CD-CD1 4.34Å; P9-I11 VanDerWaalsContact C-N 3.29Å; P9-I11 PolarHBondContact O-N 2.9Å; I11-Y13 VanDerWaalsContact C-N 3.3Å; I11-Y13 HydrophobicContact CB-CD1 4.39Å; I11-Y13 HydrophobicContact CB-CD2 4.34Å; I11-Y13 HydrophobicContact CB-CE1 3.88Å; I11-Y13 HydrophobicContact CB-CE2 3.81Å; I11-Y13 HydrophobicContact CD1-CE1 4.42Å; I11-Y13 HydrophobicContact CG2-CD1 3.92Å; I11-Y13 HydrophobicContact CG2-CE1 3.73Å; I11-Y13 HydrophobicContact CG2-CE2 4.38Å; I11-Y13 HydrophobicContact CG2-CG 4.33Å; I11-Y13 WeakPolarHBondContact O-CD2 3.25Å; I11-Y13 VanDerWaalsContact O-CE2 3.25Å; I11-Y13 WeakPolarHBondContact O-CE2 3.39Å; I11-Y13 PolarHBondContact O-N 2.85Å |
| 12 | Y | 38.2 | Very low | 42.5 | Very low | 198 Ų | 198 | 103.3 Ų | 103.3 | 78% | 0.776 | 51% | 0.511 | S | S | * | . | trans | -69.2 | 88.5 | 170.8 | -173 | -109.2 | 0 | 0 | 0 | 109.8 | G14 P15 | Y12-G14 PolarHBondContact O-N 3.27Å; Y12-P15 HydrophobicContact CD1-CG 4.25Å; Y12-P15 HydrophobicContact CE1-CG 4.09Å | ||
| 13 | Y | 47.3 | Very low | 42.4 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 18% | 0.176 | 50% | 0.499 | C | S | . | . | trans | -77.1 | -0.2 | 178.8 | -59.2 | -78.3 | 0 | 0 | 0 | 113 | K8 I11 F16 F17 | K8-Y13 WeakPolarHBondContact CB-OH 3.31Å; K8-Y13 WeakPolarHBondContact O-CE2 3.46Å; K8-Y13 PolarHBondContact O-OH 3Å; I11-Y13 VanDerWaalsContact C-N 3.3Å; I11-Y13 HydrophobicContact CB-CD1 4.39Å; I11-Y13 HydrophobicContact CB-CD2 4.34Å; I11-Y13 HydrophobicContact CB-CE1 3.88Å; I11-Y13 HydrophobicContact CB-CE2 3.81Å; I11-Y13 HydrophobicContact CD1-CE1 4.42Å; I11-Y13 HydrophobicContact CG2-CD1 3.92Å; I11-Y13 HydrophobicContact CG2-CE1 3.73Å; I11-Y13 HydrophobicContact CG2-CE2 4.38Å; I11-Y13 HydrophobicContact CG2-CG 4.33Å; I11-Y13 WeakPolarHBondContact O-CD2 3.25Å; I11-Y13 VanDerWaalsContact O-CE2 3.25Å; I11-Y13 WeakPolarHBondContact O-CE2 3.39Å; I11-Y13 PolarHBondContact O-N 2.85Å; Y13-F16 CarbonylContact O-C 3.53Å; Y13-F16 WeakPolarHBondContact O-CA 3.45Å; Y13-F16 WeakPolarHBondContact O-CB 3.25Å; Y13-F16 PolarHBondContact O-N 3.46Å; Y13-F17 VanDerWaalsContact CB-CD2 3.43Å; Y13-F17 HydrophobicContact CG-CD2 4.43Å; Y13-F17 HydrophobicContact CG-CE2 4.28Å; Y13-F17 PolarHBondContact O-N 2.87Å | ||
| 14 | G | 40.6 | Very low | 42 | Very low | 34 Ų | 34 | 101.1 Ų | 101.1 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -46.3 | -52 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | Y12 F16 Y18 | Y12-G14 PolarHBondContact O-N 3.27Å; G14-F16 VanDerWaalsContact C-N 3.31Å; G14-F16 PolarHBondContact O-N 3Å; G14-Y18 WeakPolarHBondContact O-CB 3.49Å; G14-Y18 PolarHBondContact O-N 3.44Å |
| 15 | P | 39.6 | Very low | 41.3 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 177.7 | -18.6 | 31.8 | 0 | 0 | 0 | 112.4 | Y12 Y18 E19 | Y12-P15 HydrophobicContact CD1-CG 4.25Å; Y12-P15 HydrophobicContact CE1-CG 4.09Å; P15-Y18 PolarHBondContact O-N 3.42Å; P15-E19 PolarHBondContact O-N 2.7Å |
| 16 | F | 43.3 | Very low | 40.9 | Very low | 127 Ų | 127 | 109.2 Ų | 109.2 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -78.6 | -33.7 | -178.2 | -143.2 | -86.8 | 0 | 0 | 0 | 112.1 | M1 Y13 G14 F20 | M1-F16 HydrophobicContact CE-CD1 4.07Å; M1-F16 HydrophobicContact CE-CE1 3.76Å; Y13-F16 CarbonylContact O-C 3.53Å; Y13-F16 WeakPolarHBondContact O-CA 3.45Å; Y13-F16 WeakPolarHBondContact O-CB 3.25Å; Y13-F16 PolarHBondContact O-N 3.46Å; G14-F16 VanDerWaalsContact C-N 3.31Å; G14-F16 PolarHBondContact O-N 3Å; F16-F20 WeakPolarHBondContact O-CA 3.31Å; F16-F20 WeakPolarHBondContact O-CB 3.3Å; F16-F20 PolarHBondContact O-N 2.73Å |
| 17 | F | 41.4 | Very low | 40.3 | Very low | 89 Ų | 89 | 107.6 Ų | 107.6 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 168.5 | -96.1 | -76.5 | 0 | 0 | 0 | 110.6 | Y13 F20 Y21 | Y13-F17 VanDerWaalsContact CB-CD2 3.43Å; Y13-F17 HydrophobicContact CG-CD2 4.43Å; Y13-F17 HydrophobicContact CG-CE2 4.28Å; Y13-F17 PolarHBondContact O-N 2.87Å; F17-F20 PolarHBondContact O-N 2.94Å; F17-Y21 WeakPolarHBondContact O-CA 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.07Å; F17-Y21 PolarHBondContact O-N 3.18Å |
| 18 | Y | 39.8 | Very low | 39.7 | Very low | 156 Ų | 156 | 113.1 Ų | 113.1 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -50.5 | 175.5 | -173.3 | -104.1 | 0 | 0 | 0 | 111.1 | G14 P15 F20 Y21 L22 | G14-Y18 WeakPolarHBondContact O-CB 3.49Å; G14-Y18 PolarHBondContact O-N 3.44Å; P15-Y18 PolarHBondContact O-N 3.42Å; Y18-F20 PolarHBondContact O-N 3.42Å; Y18-Y21 PolarHBondContact O-N 2.87Å; Y18-L22 HydrophobicContact CD1-CD1 3.78Å; Y18-L22 HydrophobicContact CE1-CD1 3.43Å; Y18-L22 VanDerWaalsContact CE1-CD1 3.43Å; Y18-L22 HydrophobicContact CE1-CG 4.38Å; Y18-L22 HydrophobicContact CG-CD1 4.49Å; Y18-L22 WeakPolarHBondContact O-CB 3.43Å; Y18-L22 VanDerWaalsContact O-CG 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.06Å; Y18-L22 PolarHBondContact O-N 3.34Å |
| 19 | E | 39.6 | Very low | 39.5 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 173.7 | -81.8 | -153.3 | 175.4 | 0 | 0 | 112.5 | P15 L22 T23 | P15-E19 PolarHBondContact O-N 2.7Å; E19-L22 PolarHBondContact O-N 3.36Å; E19-T23 WeakPolarHBondContact O-CG2 3.32Å; E19-T23 PolarHBondContact O-N 2.94Å; E19-T23 PolarHBondContact O-OG1 3.45Å |
| 20 | F | 44.4 | Very low | 39.1 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 33% | 0.329 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 179.4 | -175.7 | -109.1 | 0 | 0 | 0 | 112 | M1 F16 F17 Y18 L22 T23 L24 | M1-F20 HydrophobicContact CG-CZ 4.48Å; F16-F20 WeakPolarHBondContact O-CA 3.31Å; F16-F20 WeakPolarHBondContact O-CB 3.3Å; F16-F20 PolarHBondContact O-N 2.73Å; F17-F20 PolarHBondContact O-N 2.94Å; Y18-F20 PolarHBondContact O-N 3.42Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 2.83Å; F20-T23 VanDerWaalsContact CA-OG1 3.26Å; F20-T23 WeakPolarHBondContact CA-OG1 3.42Å; F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.98Å; F20-L24 HydrophobicContact CD1-CD1 3.69Å; F20-L24 HydrophobicContact CD1-CG 4.32Å; F20-L24 HydrophobicContact CE1-CD1 3.16Å; F20-L24 HydrophobicContact CE1-CG 3.91Å; F20-L24 HydrophobicContact CE2-CD1 4.42Å; F20-L24 HydrophobicContact CE2-CG 4.31Å; F20-L24 HydrophobicContact CZ-CD1 3.58Å; F20-L24 HydrophobicContact CZ-CD2 4.32Å; F20-L24 HydrophobicContact CZ-CG 3.88Å; F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 PolarHBondContact O-N 3.28Å |
| 21 | Y | 44 | Very low | 38.7 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 172.9 | 175.4 | -97.4 | 0 | 0 | 0 | 111 | F17 Y18 L24 R25 | F17-Y21 WeakPolarHBondContact O-CA 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.07Å; F17-Y21 PolarHBondContact O-N 3.18Å; Y18-Y21 PolarHBondContact O-N 2.87Å; Y21-L24 PolarHBondContact O-N 3.48Å; Y21-R25 VanDerWaalsContact O-CB 3.27Å; Y21-R25 WeakPolarHBondContact O-CB 3.47Å; Y21-R25 PolarHBondContact O-N 2.7Å; Y21-R25 PolarHBondContact OH-NH1 3.33Å |
| 22 | L | 38.9 | Very low | 38 | Very low | 38 Ų | 38 | 118.2 Ų | 118.2 | 20% | 0.199 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.6 | -70.3 | 174.7 | 0 | 0 | 0 | 111.4 | Y18 E19 F20 L24 Y26 | Y18-L22 HydrophobicContact CD1-CD1 3.78Å; Y18-L22 HydrophobicContact CE1-CD1 3.43Å; Y18-L22 VanDerWaalsContact CE1-CD1 3.43Å; Y18-L22 HydrophobicContact CE1-CG 4.38Å; Y18-L22 HydrophobicContact CG-CD1 4.49Å; Y18-L22 WeakPolarHBondContact O-CB 3.43Å; Y18-L22 VanDerWaalsContact O-CG 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.06Å; Y18-L22 PolarHBondContact O-N 3.34Å; E19-L22 PolarHBondContact O-N 3.36Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 2.83Å; L22-L24 PolarHBondContact O-N 2.98Å; L22-Y26 HydrophobicContact CD2-CD2 4.41Å; L22-Y26 HydrophobicContact CD2-CE2 4.16Å; L22-Y26 WeakPolarHBondContact O-CB 3.49Å; L22-Y26 VanDerWaalsContact O-CD2 3.26Å; L22-Y26 WeakPolarHBondContact O-CD2 3.09Å; L22-Y26 PolarHBondContact O-N 2.76Å |
| 23 | T | 43 | Very low | 37.4 | Very low | 56 Ų | 56 | 120 Ų | 120 | 34% | 0.344 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | E19 F20 Y26 P27 V32 | E19-T23 WeakPolarHBondContact O-CG2 3.32Å; E19-T23 PolarHBondContact O-N 2.94Å; E19-T23 PolarHBondContact O-OG1 3.45Å; F20-T23 VanDerWaalsContact CA-OG1 3.26Å; F20-T23 WeakPolarHBondContact CA-OG1 3.42Å; F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.98Å; T23-Y26 CarbonylContact O-C 3.54Å; T23-Y26 VanDerWaalsContact O-C 3.29Å; T23-P27 VanDerWaalsContact O-CA 3.27Å; T23-P27 WeakPolarHBondContact O-CA 3.4Å; T23-V32 HydrophobicContact CG2-CG2 4.26Å |
| 24 | L | 38.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.3 | -41 | 176.1 | -86.2 | 176.2 | 0 | 0 | 0 | 112.2 | F20 Y21 L22 Y26 | F20-L24 HydrophobicContact CD1-CD1 3.69Å; F20-L24 HydrophobicContact CD1-CG 4.32Å; F20-L24 HydrophobicContact CE1-CD1 3.16Å; F20-L24 HydrophobicContact CE1-CG 3.91Å; F20-L24 HydrophobicContact CE2-CD1 4.42Å; F20-L24 HydrophobicContact CE2-CG 4.31Å; F20-L24 HydrophobicContact CZ-CD1 3.58Å; F20-L24 HydrophobicContact CZ-CD2 4.32Å; F20-L24 HydrophobicContact CZ-CG 3.88Å; F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 PolarHBondContact O-N 3.28Å; Y21-L24 PolarHBondContact O-N 3.48Å; L22-L24 PolarHBondContact O-N 2.98Å; L24-Y26 VanDerWaalsContact C-N 3.27Å |
| 25 | R | 36.6 | Very low | 35.5 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.1 | -27 | 177.5 | -159.8 | 166.7 | -174.2 | -175.2 | -5.8 | 111.3 | Y21 | Y21-R25 VanDerWaalsContact O-CB 3.27Å; Y21-R25 WeakPolarHBondContact O-CB 3.47Å; Y21-R25 PolarHBondContact O-N 2.7Å; Y21-R25 PolarHBondContact OH-NH1 3.33Å |
| 26 | Y | 38.2 | Very low | 34.8 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 53% | 0.525 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -129.5 | 67.9 | -179.6 | -52.1 | -71.8 | 0 | 0 | 0 | 112.8 | L22 T23 L24 R28 | L22-Y26 HydrophobicContact CD2-CD2 4.41Å; L22-Y26 HydrophobicContact CD2-CE2 4.16Å; L22-Y26 WeakPolarHBondContact O-CB 3.49Å; L22-Y26 VanDerWaalsContact O-CD2 3.26Å; L22-Y26 WeakPolarHBondContact O-CD2 3.09Å; L22-Y26 PolarHBondContact O-N 2.76Å; T23-Y26 CarbonylContact O-C 3.54Å; T23-Y26 VanDerWaalsContact O-C 3.29Å; L24-Y26 VanDerWaalsContact C-N 3.27Å; Y26-R28 PolarHBondContact O-N 3.28Å; Y26-R28 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 34.4 | Very low | 33.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.1 | -168.8 | 26.9 | -34.8 | 0 | 0 | 0 | 115.4 | T23 | T23-P27 VanDerWaalsContact O-CA 3.27Å; T23-P27 WeakPolarHBondContact O-CA 3.4Å |
| 28 | R | 37 | Very low | 33 | Very low | 244 Ų | 244 | 130.7 Ų | 130.7 | 92% | 0.921 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 6.3 | -172.9 | -79.4 | -169.2 | 174 | 176.3 | -0.5 | 115.9 | Y26 | Y26-R28 PolarHBondContact O-N 3.28Å; Y26-R28 VanDerWaalsContact O-N 3.1Å |
| 29 | R | 30.6 | Very low | 32.2 | Very low | 191 Ų | 191 | 128 Ų | 128 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | trans | -121.5 | 101.2 | 177.8 | -69.5 | -170.9 | 177.4 | -160.4 | -2.5 | 111.3 | M31 | R29-M31 PolarHBondContact O-N 2.64Å; R29-M31 VanDerWaalsContact O-N 3.07Å | ||
| 30 | R | 28.7 | Very low | 31.5 | Very low | 243 Ų | 243 | 128 Ų | 128 | 92% | 0.917 | 58% | 0.577 | S | S | * | * | trans | -77.2 | 20.2 | -167.1 | -127 | 179.3 | -171.4 | 179.5 | 2.1 | 115.4 | ||||
| 31 | M | 25.7 | Very low | 30.9 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | trans | -151.5 | 93.1 | -178.7 | -131.4 | -178.9 | -66.9 | 0 | 0 | 110.3 | R29 | R29-M31 PolarHBondContact O-N 2.64Å; R29-M31 VanDerWaalsContact O-N 3.07Å | ||
| 32 | V | 28.2 | Very low | 30.6 | Very low | 33 Ų | 33 | 126.6 Ų | 126.6 | 20% | 0.2 | 58% | 0.577 | C | S | . | * | trans | -107.5 | 52.2 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | T23 F35 | T23-V32 HydrophobicContact CG2-CG2 4.26Å; V32-F35 HydrophobicContact CG1-CD2 4.26Å | ||
| 33 | R | 24.8 | Very low | 30.5 | Very low | 236 Ų | 236 | 128.3 Ų | 128.3 | 89% | 0.891 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -104.7 | -4.2 | 170.4 | -95.1 | -173.3 | 175.3 | -175.3 | -1.9 | 113.9 | ||
| 34 | T | 23.9 | Very low | 30.3 | Very low | 79 Ų | 79 | 127 Ų | 127 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | trans | -151.9 | 65.7 | -174.3 | 34.7 | 0 | 0 | 0 | 0 | 108.5 | Y36 E37 | T34-Y36 PolarHBondContact O-N 3.11Å; T34-E37 PolarHBondContact O-N 2.92Å; T34-E37 VanDerWaalsContact O-N 3.1Å | ||
| 35 | F | 25.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 42.9 | 175.9 | -140.1 | -86.7 | 0 | 0 | 0 | 112.9 | V32 | V32-F35 HydrophobicContact CG1-CD2 4.26Š|
| 36 | Y | 23.6 | Very low | 30.7 | Very low | 162 Ų | 162 | 116.4 Ų | 116.4 | 64% | 0.635 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | 29.8 | 153.5 | -70.7 | -72.8 | 0 | 0 | 0 | 109.9 | T34 V38 V74 | T34-Y36 PolarHBondContact O-N 3.11Å; Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 3.31Å; Y36-V74 HydrophobicContact CD1-CG1 3.78Å; Y36-V74 HydrophobicContact CD2-CG1 4.1Å; Y36-V74 HydrophobicContact CD2-CG2 4.2Å; Y36-V74 HydrophobicContact CE1-CG1 4.45Å; Y36-V74 HydrophobicContact CG-CG1 3.58Å; Y36-V74 HydrophobicContact CG-CG2 4.27Å |
| 37 | E | 22.9 | Very low | 30.9 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | trans | -63.4 | 95.5 | 163.5 | -86.7 | 179.9 | -175.2 | 0 | 0 | 108.9 | T34 L39 | T34-E37 PolarHBondContact O-N 2.92Å; T34-E37 VanDerWaalsContact O-N 3.1Å; E37-L39 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | V | 24.5 | Very low | 31.3 | Very low | 72 Ų | 72 | 109 Ų | 109 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | trans | 25.4 | 83.7 | 138.4 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | Y36 P40 D77 D81 | Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.34Å; V38-D77 HydrophobicContact CG2-CB 4.01Å; V38-D81 WeakPolarHBondContact CG1-OD2 3.17Å | ||
| 39 | L | 23.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | trans | -76.4 | 110.9 | 164.5 | -84.3 | 164.5 | 0 | 0 | 0 | 106.4 | E37 L41 K200 | E37-L39 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact O-N 3.15Å; L39-L41 PolarHBondContact O-N 3.26Å; L39-L41 VanDerWaalsContact O-N 3.12Å; L39-K200 HydrophobicContact CD2-CD 4.46Å; L39-K200 VanDerWaalsContact CD2-NZ 3.3Å | ||
| 40 | P | 25.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 95.1 Ų | 95.1 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | trans | -55.1 | 124.6 | 174 | 21.3 | -31.3 | 0 | 0 | 0 | 108.5 | V38 Q42 | V38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-Q42 PolarHBondContact O-N 3.08Å | ||
| 41 | L | 32.1 | Very low | 32.9 | Very low | 59 Ų | 59 | 85.6 Ų | 85.6 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | trans | -50.4 | 111.9 | -179 | -81.5 | 146.6 | 0 | 0 | 0 | 109.6 | L39 A45 D81 F82 | L39-L41 PolarHBondContact O-N 3.26Å; L39-L41 VanDerWaalsContact O-N 3.12Å; L41-A45 HydrophobicContact CD2-CB 3.53Å; L41-D81 VanDerWaalsContact CD1-C 3.45Å; L41-D81 HydrophobicContact CD1-CB 4.16Å; L41-D81 VanDerWaalsContact CD1-O 3.31Å; L41-D81 WeakPolarHBondContact CD1-O 3.39Å; L41-F82 VanDerWaalsContact CD1-CA 3.42Å; L41-F82 HydrophobicContact CD1-CB 4.16Å | ||
| 42 | Q | 36 | Very low | 33.7 | Very low | 108 Ų | 108 | 80.7 Ų | 80.7 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | trans | -78.5 | 157.5 | 173.2 | -63.2 | -162.4 | -38.6 | 0 | 0 | 109.6 | P40 P44 A45 | P40-Q42 PolarHBondContact O-N 3.08Å; Q42-P44 VanDerWaalsContact C-N 3.26Å; Q42-P44 VanDerWaalsContact O-CD 3.23Å; Q42-P44 WeakPolarHBondContact O-CD 3.16Å; Q42-A45 PolarHBondContact O-N 2.82Å | ||
| 43 | S | 37.6 | Very low | 34.4 | Very low | 74 Ų | 74 | 81.9 Ų | 81.9 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -49.4 | -28 | -172.5 | 85.2 | 0 | 0 | 0 | 0 | 117.1 | A45 L46 D47 | S43-A45 PolarHBondContact O-N 2.85Å; S43-L46 VanDerWaalsContact O-CB 3.26Å; S43-L46 WeakPolarHBondContact O-CB 3.29Å; S43-L46 PolarHBondContact O-N 3.03Å; S43-L46 VanDerWaalsContact O-N 3.17Å; S43-D47 PolarHBondContact O-N 2.71Å; S43-D47 VanDerWaalsContact O-N 3.1Å |
| 44 | P | 38.9 | Very low | 35 | Very low | 29 Ų | 29 | 73.7 Ų | 73.7 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -34.9 | -179.6 | -24.7 | 35.2 | 0 | 0 | 0 | 114.9 | Q42 L46 D47 Y48 A203 | Q42-P44 VanDerWaalsContact C-N 3.26Å; Q42-P44 VanDerWaalsContact O-CD 3.23Å; Q42-P44 WeakPolarHBondContact O-CD 3.16Å; P44-L46 PolarHBondContact O-N 2.75Å; P44-D47 PolarHBondContact O-N 2.83Å; P44-Y48 PolarHBondContact O-N 2.83Å; P44-A203 HydrophobicContact CG-CB 3.85Å |
| 45 | A | 41.2 | Very low | 35.9 | Very low | 14 Ų | 14 | 72.7 Ų | 72.7 | 12% | 0.116 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -30.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L41 Q42 S43 A49 | L41-A45 HydrophobicContact CD2-CB 3.53Å; Q42-A45 PolarHBondContact O-N 2.82Å; S43-A45 PolarHBondContact O-N 2.85Å; A45-A49 WeakPolarHBondContact O-CB 3.47Å; A45-A49 PolarHBondContact O-N 2.77Å |
| 46 | L | 42.8 | Very low | 36.7 | Very low | 31 Ų | 31 | 68.1 Ų | 68.1 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 172.8 | -96.7 | 147.4 | 0 | 0 | 0 | 112.4 | S43 P44 A49 R50 N89 | S43-L46 VanDerWaalsContact O-CB 3.26Å; S43-L46 WeakPolarHBondContact O-CB 3.29Å; S43-L46 PolarHBondContact O-N 3.03Å; S43-L46 VanDerWaalsContact O-N 3.17Å; P44-L46 PolarHBondContact O-N 2.75Å; L46-A49 PolarHBondContact O-N 3.01Å; L46-R50 WeakPolarHBondContact O-CG 3.34Å; L46-R50 PolarHBondContact O-N 3.5Å; L46-N89 WeakPolarHBondContact CD1-ND2 3.48Å; L46-N89 HydrophobicContact CD2-CB 3.45Å; L46-N89 VanDerWaalsContact CD2-CB 3.45Å; L46-N89 VanDerWaalsContact CD2-CG 3.47Å; L46-N89 WeakPolarHBondContact CD2-ND2 3.45Å |
| 47 | D | 41.6 | Very low | 37.3 | Very low | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 176.8 | -67.5 | -36.6 | 0 | 0 | 0 | 112.1 | S43 P44 R50 L51 | S43-D47 PolarHBondContact O-N 2.71Å; S43-D47 VanDerWaalsContact O-N 3.1Å; P44-D47 PolarHBondContact O-N 2.83Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 2.8Å; D47-R50 IonicContact OD1-CZ 2.96Å; D47-R50 IonicContact OD1-NH1 3.72Å; D47-R50 PolarHBondContact OD1-NH1 2.81Å; D47-L51 PolarHBondContact O-N 2.77Å |
| 48 | Y | 43.5 | Very low | 38.2 | Very low | 30 Ų | 30 | 59.8 Ų | 59.8 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 170.9 | -168.2 | -81.8 | 0 | 0 | 0 | 112.3 | P44 R50 L51 L52 L195 | P44-Y48 PolarHBondContact O-N 2.83Å; Y48-R50 VanDerWaalsContact C-N 3.31Å; Y48-R50 PolarHBondContact O-N 3.05Å; Y48-L51 WeakPolarHBondContact O-CB 3.36Å; Y48-L51 PolarHBondContact O-N 3.05Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; Y48-L52 HydrophobicContact CD1-CD1 4.1Å; Y48-L52 HydrophobicContact CD1-CG 4.31Å; Y48-L52 HydrophobicContact CE1-CD1 3.9Å; Y48-L52 HydrophobicContact CE1-CG 4.06Å; Y48-L52 PolarHBondContact O-N 3.28Å; Y48-L195 HydrophobicContact CD1-CD1 3.67Å; Y48-L195 HydrophobicContact CD1-CD2 3.47Å; Y48-L195 VanDerWaalsContact CD1-CD2 3.47Å; Y48-L195 HydrophobicContact CD1-CG 3.24Å; Y48-L195 HydrophobicContact CE1-CD1 3.83Å; Y48-L195 HydrophobicContact CE1-CD2 4.31Å; Y48-L195 HydrophobicContact CE1-CG 3.56Å; Y48-L195 HydrophobicContact CG-CD2 4.03Å; Y48-L195 HydrophobicContact CG-CG 4.16Å |
| 49 | A | 44.3 | Very low | 39 | Very low | 10 Ų | 10 | 63.3 Ų | 63.3 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A45 L46 L51 L52 L53 | A45-A49 WeakPolarHBondContact O-CB 3.47Å; A45-A49 PolarHBondContact O-N 2.77Å; L46-A49 PolarHBondContact O-N 3.01Å; A49-L51 VanDerWaalsContact C-N 3.28Å; A49-L51 PolarHBondContact O-N 3.14Å; A49-L52 PolarHBondContact O-N 3.24Å; A49-L53 WeakPolarHBondContact O-CB 3.34Å; A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 3.44Å |
| 50 | R | 41.6 | Very low | 39.8 | Very low | 133 Ų | 133 | 60 Ų | 60 | 50% | 0.502 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 171 | -75.6 | 171.2 | 178.7 | 166.8 | -6.1 | 112.2 | L46 D47 Y48 L53 A54 | L46-R50 WeakPolarHBondContact O-CG 3.34Å; L46-R50 PolarHBondContact O-N 3.5Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 2.8Å; D47-R50 IonicContact OD1-CZ 2.96Å; D47-R50 IonicContact OD1-NH1 3.72Å; D47-R50 PolarHBondContact OD1-NH1 2.81Å; Y48-R50 VanDerWaalsContact C-N 3.31Å; Y48-R50 PolarHBondContact O-N 3.05Å; R50-L53 CarbonylContact O-C 3.59Å; R50-L53 PolarHBondContact O-N 3.38Å; R50-A54 WeakPolarHBondContact O-CB 3.49Å; R50-A54 PolarHBondContact O-N 2.73Å |
| 51 | L | 42.5 | Very low | 40.5 | Very low | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 177.1 | -151.9 | 151 | 0 | 0 | 0 | 111.8 | D47 Y48 A49 L53 A54 Y55 V215 I240 | D47-L51 PolarHBondContact O-N 2.77Å; Y48-L51 WeakPolarHBondContact O-CB 3.36Å; Y48-L51 PolarHBondContact O-N 3.05Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; A49-L51 VanDerWaalsContact C-N 3.28Å; A49-L51 PolarHBondContact O-N 3.14Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.96Å; L51-A54 PolarHBondContact O-N 2.87Å; L51-Y55 PolarHBondContact O-N 3.44Å; L51-V215 HydrophobicContact CD1-CG2 4.47Å; L51-I240 HydrophobicContact CD2-CG1 4.1Å |
| 52 | L | 44.4 | Very low | 41.1 | Very low | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 169.3 | -78.8 | 170.6 | 0 | 0 | 0 | 112.3 | Y48 A49 Y55 V56 L195 | Y48-L52 HydrophobicContact CD1-CD1 4.1Å; Y48-L52 HydrophobicContact CD1-CG 4.31Å; Y48-L52 HydrophobicContact CE1-CD1 3.9Å; Y48-L52 HydrophobicContact CE1-CG 4.06Å; Y48-L52 PolarHBondContact O-N 3.28Å; A49-L52 PolarHBondContact O-N 3.24Å; L52-Y55 WeakPolarHBondContact O-CB 3.28Å; L52-Y55 PolarHBondContact O-N 3.34Å; L52-V56 WeakPolarHBondContact O-CG2 3.34Å; L52-V56 PolarHBondContact O-N 3.01Å; L52-V56 VanDerWaalsContact O-N 3.13Å; L52-L195 HydrophobicContact CD1-CD1 3.45Å; L52-L195 VanDerWaalsContact CD1-CD1 3.45Å |
| 53 | L | 41.3 | Very low | 41.3 | Very low | 59 Ų | 59 | 54 Ų | 54 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 175.7 | -69.5 | 168.9 | 0 | 0 | 0 | 112 | A49 R50 L51 Y55 V56 G57 I62 L86 | A49-L53 WeakPolarHBondContact O-CB 3.34Å; A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 3.44Å; R50-L53 CarbonylContact O-C 3.59Å; R50-L53 PolarHBondContact O-N 3.38Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.96Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-V56 PolarHBondContact O-N 2.81Å; L53-G57 PolarHBondContact O-N 2.78Å; L53-G57 VanDerWaalsContact O-N 3.11Å; L53-I62 HydrophobicContact CD2-CD1 3.04Å; L53-L86 HydrophobicContact CD1-CD2 4.48Å |
| 54 | A | 38.9 | Very low | 41.7 | Very low | 63 Ų | 63 | 51.8 Ų | 51.8 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R50 L51 G57 | R50-A54 WeakPolarHBondContact O-CB 3.49Å; R50-A54 PolarHBondContact O-N 2.73Å; L51-A54 PolarHBondContact O-N 2.87Å; A54-G57 PolarHBondContact O-N 2.77Å |
| 55 | Y | 41.5 | Very low | 41.8 | Very low | 58 Ų | 58 | 51 Ų | 51 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.2 | 171.7 | -101.8 | 0 | 0 | 0 | 112.8 | L51 L52 L53 G57 Y237 I240 | L51-Y55 PolarHBondContact O-N 3.44Å; L52-Y55 WeakPolarHBondContact O-CB 3.28Å; L52-Y55 PolarHBondContact O-N 3.34Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; Y55-G57 PolarHBondContact O-N 3.23Å; Y55-Y237 AromaticContact CE2-CD1 3.86Å; Y55-Y237 HydrophobicContact CE2-CD1 3.86Å; Y55-Y237 AromaticContact CE2-CE1 3.39Å; Y55-Y237 HydrophobicContact CE2-CE1 3.39Å; Y55-Y237 AromaticContact CE2-CZ 3.86Å; Y55-Y237 AromaticContact CZ-CE1 3.67Å; Y55-Y237 WeakPolarHBondContact OH-CE1 3.16Å; Y55-Y237 PolarHBondContact OH-OH 2.75Å; Y55-I240 HydrophobicContact CD2-CD1 3.21Å; Y55-I240 HydrophobicContact CE2-CD1 3.79Å; Y55-I240 HydrophobicContact CG-CD1 3.74Å |
| 56 | V | 42.8 | Very low | 41.8 | Very low | 59 Ų | 59 | 51.6 Ų | 51.6 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.9 | -17.5 | 178 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | L52 L53 T60 V123 | L52-V56 WeakPolarHBondContact O-CG2 3.34Å; L52-V56 PolarHBondContact O-N 3.01Å; L52-V56 VanDerWaalsContact O-N 3.13Å; L53-V56 PolarHBondContact O-N 2.81Å; V56-T60 HydrophobicContact CG1-CG2 3.74Å; V56-T60 WeakPolarHBondContact CG1-OG1 3.03Å; V56-T60 VanDerWaalsContact O-CG2 3.3Å; V56-T60 WeakPolarHBondContact O-CG2 3.32Å; V56-V123 HydrophobicContact CG1-CG2 4.31Å |
| 57 | G | 36.5 | Very low | 41.8 | Very low | 16 Ų | 16 | 50.8 Ų | 50.8 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | trans | 88.9 | 150.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | L53 A54 Y55 D59 T60 R95 | L53-G57 PolarHBondContact O-N 2.78Å; L53-G57 VanDerWaalsContact O-N 3.11Å; A54-G57 PolarHBondContact O-N 2.77Å; Y55-G57 PolarHBondContact O-N 3.23Å; G57-D59 PolarHBondContact O-N 3.26Å; G57-T60 PolarHBondContact O-OG1 2.91Å; G57-T60 VanDerWaalsContact O-OG1 3.06Å; G57-R95 PolarHBondContact O-NH1 3.27Å; G57-R95 VanDerWaalsContact O-NH1 3.12Å | ||
| 58 | S | 42 | Very low | 41.7 | Very low | 103 Ų | 103 | 52.8 Ų | 52.8 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 23.9 | -174.8 | 64.4 | 0 | 0 | 0 | 0 | 114.8 | R95 | S58-R95 PolarHBondContact O-NH1 2.76Å; S58-R95 PolarHBondContact O-NH2 2.84Å |
| 59 | D | 39.8 | Very low | 41.5 | Very low | 147 Ų | 147 | 53.1 Ų | 53.1 | 79% | 0.786 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 3.9 | 173.7 | -80.6 | -28.2 | 0 | 0 | 0 | 116.5 | G57 R95 | G57-D59 PolarHBondContact O-N 3.26Å; D59-R95 IonicContact OD1-NH2 2.61Å |
| 60 | T | 41.4 | Very low | 41.4 | Very low | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | trans | -94.3 | 133 | -176.5 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | V56 G57 R95 | V56-T60 HydrophobicContact CG1-CG2 3.74Å; V56-T60 WeakPolarHBondContact CG1-OG1 3.03Å; V56-T60 VanDerWaalsContact O-CG2 3.3Å; V56-T60 WeakPolarHBondContact O-CG2 3.32Å; G57-T60 PolarHBondContact O-OG1 2.91Å; G57-T60 VanDerWaalsContact O-OG1 3.06Å; T60-R95 WeakPolarHBondContact O-CD 3.36Å; T60-R95 WeakPolarHBondContact O-CG 3.28Å; T60-R95 PolarHBondContact O-NH1 3.47Å; T60-R95 VanDerWaalsContact O-NH1 3.15Å | ||
| 61 | K | 40.5 | Very low | 41.4 | Very low | 99 Ų | 99 | 56.4 Ų | 56.4 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -88.2 | 129.4 | 166.4 | -67 | -177.7 | -175.7 | 177.1 | 0 | 109.4 | R95 R122 | K61-R95 HydrophobicContact CG-CG 4.47Å; K61-R122 HydrophobicContact CB-CG 4.33Å | ||
| 62 | I | 43.1 | Very low | 41.1 | Very low | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.2 | -172.5 | -60.3 | 170.6 | 0 | 0 | 0 | 109.4 | L53 V64 V97 | L53-I62 HydrophobicContact CD2-CD1 3.04Å; I62-V64 HydrophobicContact CG2-CG2 4.2Å; I62-V97 WeakPolarHBondContact O-CA 3.5Å |
| 63 | A | 41.8 | Very low | 40.6 | Very low | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F117 V123 V125 | A63-F117 HydrophobicContact CB-CE1 3.93Å; A63-F117 HydrophobicContact CB-CE2 4.28Å; A63-F117 HydrophobicContact CB-CZ 3.58Å; A63-V123 PolarHBondContact N-O 3.39Å; A63-V123 VanDerWaalsContact N-O 3.14Å; A63-V125 PolarHBondContact O-N 3.27Å; A63-V125 VanDerWaalsContact O-N 3.17Å |
| 64 | V | 44.6 | Very low | 40.4 | Very low | 27 Ų | 27 | 60.1 Ų | 60.1 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.9 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | I62 V97 V99 L100 | I62-V64 HydrophobicContact CG2-CG2 4.2Å; V64-V97 HydrophobicContact CG2-CG1 4.26Å; V64-V99 HydrophobicContact CB-CG2 4.43Å; V64-V99 WeakPolarHBondContact O-CA 3.41Å; V64-L100 PolarHBondContact O-N 3.05Å |
| 65 | L | 41.2 | Very low | 40.3 | Very low | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105.6 | 177.4 | -158.8 | 109.1 | 0 | 0 | 0 | 109.1 | M67 L100 L110 I113 V125 V126 C127 | L65-M67 HydrophobicContact CD2-CG 4.22Å; L65-L100 HydrophobicContact CD1-CB 4.06Å; L65-L100 HydrophobicContact CD1-CD1 4.06Å; L65-L110 HydrophobicContact CD1-CD1 4.26Å; L65-L110 HydrophobicContact CD2-CD1 3.73Å; L65-I113 HydrophobicContact CD1-CG2 3.9Å; L65-V125 CarbonylContact C-O 3.48Å; L65-V125 WeakPolarHBondContact CA-O 3.27Å; L65-V125 WeakPolarHBondContact CB-O 3.43Å; L65-V125 PolarHBondContact N-O 3.26Å; L65-V126 HydrophobicContact CB-CG2 4.44Å; L65-V126 HydrophobicContact CD2-CG1 4.39Å; L65-V126 HydrophobicContact CD2-CG2 4.27Å; L65-V126 WeakPolarHBondContact O-CA 3.46Å; L65-C127 PolarHBondContact O-N 3.47Å |
| 66 | H | 41.9 | Very low | 40.3 | Very low | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.3 | 177 | -175.1 | -99.1 | 0 | 0 | 0 | 110 | R68 L100 A102 | H66-R68 PolarHBondContact O-N 2.76Å; H66-L100 PolarHBondContact N-O 3.12Å; H66-L100 VanDerWaalsContact N-O 3.13Å; H66-A102 PolarHBondContact O-N 2.73Å; H66-A102 VanDerWaalsContact O-N 3.08Å |
| 67 | M | 42.4 | Very low | 40.2 | Very low | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | trans | -85.5 | 108.3 | 171.5 | -65 | -167.4 | -57.5 | 0 | 0 | 108.5 | L65 D69 A102 V126 C127 G128 F133 | L65-M67 HydrophobicContact CD2-CG 4.22Å; M67-D69 PolarHBondContact O-N 3.17Å; M67-D69 VanDerWaalsContact O-N 3.14Å; M67-A102 HydrophobicContact CB-CB 4.37Å; M67-A102 HydrophobicContact CG-CB 4.33Å; M67-V126 HydrophobicContact CE-CG1 3.49Å; M67-V126 VanDerWaalsContact CE-CG1 3.49Å; M67-V126 HydrophobicContact CG-CG1 4.36Å; M67-V126 HydrophobicContact SD-CG1 4.2Å; M67-C127 PolarHBondContact N-O 3.45Å; M67-G128 WeakPolarHBondContact CE-O 3.26Å; M67-G128 WeakPolarHBondContact O-CA 3.33Å; M67-F133 HydrophobicContact CE-CD1 3.39Å; M67-F133 HydrophobicContact CE-CD2 4.2Å; M67-F133 HydrophobicContact CE-CE1 3.23Å; M67-F133 HydrophobicContact CE-CE2 4.05Å; M67-F133 HydrophobicContact CE-CG 3.9Å; M67-F133 HydrophobicContact CE-CZ 3.58Å; M67-F133 HydrophobicContact SD-CD1 3.9Å; M67-F133 HydrophobicContact SD-CD2 3.54Å; M67-F133 VanDerWaalsContact SD-CD2 3.54Å; M67-F133 HydrophobicContact SD-CE1 3.75Å; M67-F133 HydrophobicContact SD-CE2 3.36Å; M67-F133 WeakPolarHBondContact SD-CE2 3.34Å; M67-F133 HydrophobicContact SD-CG 3.81Å; M67-F133 HydrophobicContact SD-CZ 3.47Å; M67-F133 WeakPolarHBondContact SD-CZ 3.33Å | ||
| 68 | R | 40.1 | Very low | 40.4 | Very low | 99 Ų | 99 | 65.5 Ų | 65.5 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | trans | -59.6 | 119.6 | -177 | -147.5 | -156.2 | -119.3 | 172.4 | -22.3 | 109.3 | H66 T70 N76 N103 M130 | H66-R68 PolarHBondContact O-N 2.76Å; R68-T70 PolarHBondContact O-N 3.42Å; R68-N76 WeakPolarHBondContact CG-OD1 3.04Å; R68-N103 WeakPolarHBondContact CD-OD1 3.48Å; R68-N103 PolarHBondContact NE-ND2 3.17Å; R68-N103 VanDerWaalsContact NE-ND2 3.16Å; R68-N103 PolarHBondContact NE-OD1 3.16Å; R68-N103 PolarHBondContact NH1-ND2 3.14Å; R68-N103 PolarHBondContact NH1-OD1 3.14Å; R68-N103 PolarHBondContact NH2-ND2 3.5Å; R68-M130 WeakPolarHBondContact O-CE 3.35Å | ||
| 69 | D | 39.1 | Very low | 40.6 | Very low | 37 Ų | 37 | 61.7 Ų | 61.7 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -76.2 | 116.6 | 157.9 | -153.4 | -13.9 | 0 | 0 | 0 | 106.1 | M67 Y71 Y129 M130 | M67-D69 PolarHBondContact O-N 3.17Å; M67-D69 VanDerWaalsContact O-N 3.14Å; D69-Y71 PolarHBondContact O-N 3.19Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.48Å; D69-Y129 VanDerWaalsContact CG-O 3.31Å; D69-M130 HydrophobicContact CB-CE 4.44Å; D69-M130 WeakPolarHBondContact OD1-CE 3.33Å | ||
| 70 | T | 41.6 | Very low | 40.9 | Very low | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.8 | -174.5 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | R68 M130 | R68-T70 PolarHBondContact O-N 3.42Å; T70-M130 HydrophobicContact CG2-CE 4.29Å; T70-M130 WeakPolarHBondContact OG1-CE 3.5Å |
| 71 | Y | 41.8 | Very low | 41.1 | Very low | 137 Ų | 137 | 59.6 Ų | 59.6 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -8.2 | -168.5 | -58.6 | -71.7 | 0 | 0 | 0 | 115.9 | D69 M130 | D69-Y71 PolarHBondContact O-N 3.19Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.48Å; Y71-M130 HydrophobicContact CE2-CE 4.43Å |
| 72 | D | 36.7 | Very low | 41.3 | Very low | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -125.7 | 90.3 | -171.3 | -153.3 | -10.3 | 0 | 0 | 0 | 112.3 | V74 K75 N76 | D72-V74 PolarHBondContact O-N 2.97Å; D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 HydrophobicContact CB-CD 4.44Å; D72-K75 WeakPolarHBondContact OD2-CD 3.21Å; D72-K75 WeakPolarHBondContact OD2-CE 3.23Å; D72-N76 PolarHBondContact O-ND2 2.81Å | ||
| 73 | T | 34.6 | Very low | 41.5 | Very low | 110 Ų | 110 | 57.3 Ų | 57.3 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.2 | -29.7 | 179.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | N76 D77 | T73-N76 PolarHBondContact O-N 2.84Å; T73-D77 PolarHBondContact O-N 2.81Å |
| 74 | V | 35.7 | Very low | 41.8 | Very low | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | -175.9 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | Y36 D72 N76 | Y36-V74 HydrophobicContact CD1-CG1 3.78Å; Y36-V74 HydrophobicContact CD2-CG1 4.1Å; Y36-V74 HydrophobicContact CD2-CG2 4.2Å; Y36-V74 HydrophobicContact CE1-CG1 4.45Å; Y36-V74 HydrophobicContact CG-CG1 3.58Å; Y36-V74 HydrophobicContact CG-CG2 4.27Å; D72-V74 PolarHBondContact O-N 2.97Å; V74-N76 VanDerWaalsContact C-N 3.27Å; V74-N76 PolarHBondContact O-N 3.39Å |
| 75 | K | 37.6 | Very low | 41.9 | Very low | 115 Ų | 115 | 59.6 Ų | 59.6 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -30.7 | 174.4 | -73.6 | -177.2 | -177.2 | 177.9 | 0 | 112.1 | D72 C79 | D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 HydrophobicContact CB-CD 4.44Å; D72-K75 WeakPolarHBondContact OD2-CD 3.21Å; D72-K75 WeakPolarHBondContact OD2-CE 3.23Å; K75-C79 PolarHBondContact O-N 3.14Å |
| 76 | N | 41 | Very low | 42.1 | Very low | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.4 | -41.6 | -175 | -71.1 | -41.7 | 0 | 0 | 0 | 113.2 | R68 D72 T73 V74 N80 | R68-N76 WeakPolarHBondContact CG-OD1 3.04Å; D72-N76 PolarHBondContact O-ND2 2.81Å; T73-N76 PolarHBondContact O-N 2.84Å; V74-N76 VanDerWaalsContact C-N 3.27Å; V74-N76 PolarHBondContact O-N 3.39Å; N76-N80 PolarHBondContact O-N 3.35Å; N76-N80 VanDerWaalsContact O-N 3.12Å; N76-N80 PolarHBondContact O-ND2 3.12Å; N76-N80 VanDerWaalsContact O-ND2 3.13Å |
| 77 | D | 41.4 | Very low | 42.3 | Very low | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.3 | -43.3 | -178.1 | -69.5 | -18.8 | 0 | 0 | 0 | 112.2 | V38 T73 C79 N80 D81 | V38-D77 HydrophobicContact CG2-CB 4.01Å; T73-D77 PolarHBondContact O-N 2.81Å; D77-C79 VanDerWaalsContact C-N 3.32Å; D77-C79 PolarHBondContact O-N 3.42Å; D77-N80 PolarHBondContact O-N 3.01Å; D77-D81 PolarHBondContact O-N 3.31Å |
| 78 | W | 41.2 | Very low | 42.3 | Very low | 91 Ų | 91 | 74.4 Ų | 74.4 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.9 | 175 | 81 | 0 | 0 | 0 | 112.6 | D81 F82 Y196 | W78-D81 PolarHBondContact O-N 3.22Å; W78-F82 WeakPolarHBondContact O-CB 3.31Å; W78-F82 PolarHBondContact O-N 3.33Å; W78-Y196 HydrophobicContact CD2-CD2 4.29Å; W78-Y196 HydrophobicContact CD2-CE2 4.5Å; W78-Y196 AromaticContact CE2-CD2 3.78Å; W78-Y196 HydrophobicContact CG-CE2 4.47Å; W78-Y196 HydrophobicContact CZ2-CD2 4.03Å; W78-Y196 AromaticContact NE1-CD2 3.79Å |
| 79 | C | 45.1 | Very low | 42.5 | Very low | 23 Ų | 23 | 73.4 Ų | 73.4 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 176.1 | -80 | 0 | 0 | 0 | 0 | 111.8 | K75 D77 D81 F82 I83 | K75-C79 PolarHBondContact O-N 3.14Å; D77-C79 VanDerWaalsContact C-N 3.32Å; D77-C79 PolarHBondContact O-N 3.42Å; C79-D81 VanDerWaalsContact C-N 3.32Å; C79-D81 PolarHBondContact O-N 2.81Å; C79-F82 PolarHBondContact O-N 3.39Å; C79-I83 WeakPolarHBondContact O-CB 3.4Å; C79-I83 VanDerWaalsContact O-CD1 3.24Å; C79-I83 WeakPolarHBondContact O-CD1 3.4Å; C79-I83 WeakPolarHBondContact O-CG1 3.42Å; C79-I83 PolarHBondContact O-N 2.8Å |
| 80 | N | 45.4 | Very low | 42.6 | Very low | 83 Ų | 83 | 74.9 Ų | 74.9 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.1 | -71.1 | -28.1 | 0 | 0 | 0 | 111.3 | N76 D77 I83 D84 | N76-N80 PolarHBondContact O-N 3.35Å; N76-N80 VanDerWaalsContact O-N 3.12Å; N76-N80 PolarHBondContact O-ND2 3.12Å; N76-N80 VanDerWaalsContact O-ND2 3.13Å; D77-N80 PolarHBondContact O-N 3.01Å; N80-I83 PolarHBondContact O-N 3.3Å; N80-D84 WeakPolarHBondContact O-CB 3.45Å; N80-D84 PolarHBondContact O-N 3.19Å |
| 81 | D | 46.1 | Very low | 42.4 | Very low | 48 Ų | 48 | 77.4 Ų | 77.4 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.7 | -73 | -30.7 | 0 | 0 | 0 | 112.9 | V38 L41 D77 W78 C79 D84 G85 | V38-D81 WeakPolarHBondContact CG1-OD2 3.17Å; L41-D81 VanDerWaalsContact CD1-C 3.45Å; L41-D81 HydrophobicContact CD1-CB 4.16Å; L41-D81 VanDerWaalsContact CD1-O 3.31Å; L41-D81 WeakPolarHBondContact CD1-O 3.39Å; D77-D81 PolarHBondContact O-N 3.31Å; W78-D81 PolarHBondContact O-N 3.22Å; C79-D81 VanDerWaalsContact C-N 3.32Å; C79-D81 PolarHBondContact O-N 2.81Å; D81-D84 PolarHBondContact O-N 3.13Å; D81-G85 PolarHBondContact O-N 3.32Å |
| 82 | F | 45.9 | Very low | 42.2 | Very low | 51 Ų | 51 | 77.7 Ų | 77.7 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 172.6 | 176 | -100.9 | 0 | 0 | 0 | 111.7 | L41 W78 C79 G85 L86 | L41-F82 VanDerWaalsContact CD1-CA 3.42Å; L41-F82 HydrophobicContact CD1-CB 4.16Å; W78-F82 WeakPolarHBondContact O-CB 3.31Å; W78-F82 PolarHBondContact O-N 3.33Å; C79-F82 PolarHBondContact O-N 3.39Å; F82-G85 PolarHBondContact O-N 2.99Å; F82-L86 HydrophobicContact CD1-CD1 3.88Å; F82-L86 HydrophobicContact CE1-CD1 3.36Å; F82-L86 HydrophobicContact CE1-CG 4.35Å; F82-L86 HydrophobicContact CE2-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD1 3.67Å; F82-L86 HydrophobicContact CZ-CG 4.3Å; F82-L86 PolarHBondContact O-N 3.23Å |
| 83 | I | 46.8 | Very low | 42 | Very low | 32 Ų | 32 | 86.2 Ų | 86.2 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 176.2 | -70.8 | 158.7 | 0 | 0 | 0 | 110.5 | C79 N80 G85 L86 Y87 V99 | C79-I83 WeakPolarHBondContact O-CB 3.4Å; C79-I83 VanDerWaalsContact O-CD1 3.24Å; C79-I83 WeakPolarHBondContact O-CD1 3.4Å; C79-I83 WeakPolarHBondContact O-CG1 3.42Å; C79-I83 PolarHBondContact O-N 2.8Å; N80-I83 PolarHBondContact O-N 3.3Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-G85 PolarHBondContact O-N 3.17Å; I83-L86 WeakPolarHBondContact O-CB 3.39Å; I83-L86 PolarHBondContact O-N 3.46Å; I83-Y87 PolarHBondContact O-N 3.02Å; I83-V99 HydrophobicContact CD1-CG1 3.73Å; I83-V99 HydrophobicContact CG1-CG1 4.31Å; I83-V99 HydrophobicContact CG1-CG2 4.48Å; I83-V99 HydrophobicContact CG2-CG1 4.37Å; I83-V99 HydrophobicContact CG2-CG2 3.9Å |
| 84 | D | 47.4 | Very low | 41.9 | Very low | 71 Ų | 71 | 88.9 Ų | 88.9 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.6 | -99.2 | 24.8 | 0 | 0 | 0 | 111.6 | N80 D81 Y87 R88 | N80-D84 WeakPolarHBondContact O-CB 3.45Å; N80-D84 PolarHBondContact O-N 3.19Å; D81-D84 PolarHBondContact O-N 3.13Å; D84-Y87 PolarHBondContact O-N 3.26Å; D84-R88 WeakPolarHBondContact O-CB 3.22Å; D84-R88 VanDerWaalsContact O-CG 3.29Å; D84-R88 WeakPolarHBondContact O-CG 3.38Å; D84-R88 PolarHBondContact O-N 2.82Å; D84-R88 IonicContact OD2-CZ 3.81Å; D84-R88 IonicContact OD2-NE 3.9Å; D84-R88 IonicContact OD2-NH2 2.85Å; D84-R88 PolarHBondContact OD2-NH2 3.48Å |
| 85 | G | 47.1 | Very low | 42 | Very low | 13 Ų | 13 | 90.3 Ų | 90.3 | 13% | 0.134 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D81 F82 I83 N89 | D81-G85 PolarHBondContact O-N 3.32Å; F82-G85 PolarHBondContact O-N 2.99Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-G85 PolarHBondContact O-N 3.17Å; G85-N89 PolarHBondContact O-N 3.33Å; G85-N89 PolarHBondContact O-ND2 2.82Å |
| 86 | L | 44.8 | Very low | 42 | Very low | 30 Ų | 30 | 90.1 Ų | 90.1 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 171.8 | -81 | 167.6 | 0 | 0 | 0 | 111.1 | L53 F82 I83 R88 N89 T90 | L53-L86 HydrophobicContact CD1-CD2 4.48Å; F82-L86 HydrophobicContact CD1-CD1 3.88Å; F82-L86 HydrophobicContact CE1-CD1 3.36Å; F82-L86 HydrophobicContact CE1-CG 4.35Å; F82-L86 HydrophobicContact CE2-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD1 3.67Å; F82-L86 HydrophobicContact CZ-CG 4.3Å; F82-L86 PolarHBondContact O-N 3.23Å; I83-L86 WeakPolarHBondContact O-CB 3.39Å; I83-L86 PolarHBondContact O-N 3.46Å; L86-R88 PolarHBondContact O-N 3.47Å; L86-N89 PolarHBondContact O-N 3.13Å; L86-T90 WeakPolarHBondContact O-CB 3.33Å; L86-T90 WeakPolarHBondContact O-CG2 3.42Å; L86-T90 PolarHBondContact O-N 3.16Å; L86-T90 PolarHBondContact O-OG1 2.82Å |
| 87 | Y | 45.9 | Very low | 41.9 | Very low | 171 Ų | 171 | 91 Ų | 91 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | -178.4 | -154.3 | -87.9 | 0 | 0 | 0 | 112.1 | I83 D84 N89 | I83-Y87 PolarHBondContact O-N 3.02Å; D84-Y87 PolarHBondContact O-N 3.26Å; Y87-N89 VanDerWaalsContact C-N 3.35Å; Y87-N89 PolarHBondContact O-N 3.29Å |
| 88 | R | 43.5 | Very low | 41.7 | Very low | 163 Ų | 163 | 92.3 Ų | 92.3 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -26.6 | 179.9 | -70 | 180 | -144.4 | -175.9 | 7.9 | 113.9 | D84 L86 L91 | D84-R88 WeakPolarHBondContact O-CB 3.22Å; D84-R88 VanDerWaalsContact O-CG 3.29Å; D84-R88 WeakPolarHBondContact O-CG 3.38Å; D84-R88 PolarHBondContact O-N 2.82Å; D84-R88 IonicContact OD2-CZ 3.81Å; D84-R88 IonicContact OD2-NE 3.9Å; D84-R88 IonicContact OD2-NH2 2.85Å; D84-R88 PolarHBondContact OD2-NH2 3.48Å; L86-R88 PolarHBondContact O-N 3.47Å; R88-L91 VanDerWaalsContact O-CD1 3.32Å; R88-L91 WeakPolarHBondContact O-CD1 3.49Å |
| 89 | N | 44.4 | Very low | 41.7 | Very low | 78 Ų | 78 | 90.5 Ų | 90.5 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -106 | -11 | -175.7 | -70.9 | -70.3 | 0 | 0 | 0 | 114.9 | L46 G85 L86 Y87 L91 | L46-N89 WeakPolarHBondContact CD1-ND2 3.48Å; L46-N89 HydrophobicContact CD2-CB 3.45Å; L46-N89 VanDerWaalsContact CD2-CB 3.45Å; L46-N89 VanDerWaalsContact CD2-CG 3.47Å; L46-N89 WeakPolarHBondContact CD2-ND2 3.45Å; G85-N89 PolarHBondContact O-N 3.33Å; G85-N89 PolarHBondContact O-ND2 2.82Å; L86-N89 PolarHBondContact O-N 3.13Å; Y87-N89 VanDerWaalsContact C-N 3.35Å; Y87-N89 PolarHBondContact O-N 3.29Å; N89-L91 VanDerWaalsContact C-N 3.27Å |
| 90 | T | 41.6 | Very low | 41.4 | Very low | 69 Ų | 69 | 91.5 Ų | 91.5 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -92.9 | 19.4 | 174.1 | 49.9 | 0 | 0 | 0 | 0 | 113 | L86 N92 | L86-T90 WeakPolarHBondContact O-CB 3.33Å; L86-T90 WeakPolarHBondContact O-CG2 3.42Å; L86-T90 PolarHBondContact O-N 3.16Å; L86-T90 PolarHBondContact O-OG1 2.82Å; T90-N92 PolarHBondContact O-N 2.83Å |
| 91 | L | 35.8 | Very low | 41.3 | Very low | 127 Ų | 127 | 90.1 Ų | 90.1 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.2 | -170.2 | -112.6 | 146.2 | 0 | 0 | 0 | 115.5 | R88 N89 | R88-L91 VanDerWaalsContact O-CD1 3.32Å; R88-L91 WeakPolarHBondContact O-CD1 3.49Å; N89-L91 VanDerWaalsContact C-N 3.27Å |
| 92 | N | 38 | Very low | 41.1 | Very low | 143 Ų | 143 | 89.5 Ų | 89.5 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 3.6 | -161.1 | -82.8 | -8.8 | 0 | 0 | 0 | 119.5 | T90 | T90-N92 PolarHBondContact O-N 2.83Š|
| 93 | R | 32.9 | Very low | 40.7 | Very low | 236 Ų | 236 | 90.6 Ų | 90.6 | 89% | 0.891 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -171.4 | 111.6 | 164.3 | -98.5 | 136.6 | -164.6 | -149.5 | 8 | 110.2 | ||
| 94 | Q | 31.7 | Very low | 40.1 | Very low | 166 Ų | 166 | 98.1 Ų | 98.1 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | trans | 48 | 98.5 | 157.3 | -58.8 | -175 | -12.4 | 0 | 0 | 117.7 | ||||
| 95 | R | 38.3 | Very low | 39.8 | Very low | 84 Ų | 84 | 97 Ų | 97 | 32% | 0.317 | 47% | 0.472 | S | S | . | . | trans | 172.2 | 117.9 | 141.2 | -91.2 | 140.4 | -136.4 | -112.5 | -29.4 | 111.2 | G57 S58 D59 T60 K61 V97 | G57-R95 PolarHBondContact O-NH1 3.27Å; G57-R95 VanDerWaalsContact O-NH1 3.12Å; S58-R95 PolarHBondContact O-NH1 2.76Å; S58-R95 PolarHBondContact O-NH2 2.84Å; D59-R95 IonicContact OD1-NH2 2.61Å; T60-R95 WeakPolarHBondContact O-CD 3.36Å; T60-R95 WeakPolarHBondContact O-CG 3.28Å; T60-R95 PolarHBondContact O-NH1 3.47Å; T60-R95 VanDerWaalsContact O-NH1 3.15Å; K61-R95 HydrophobicContact CG-CG 4.47Å; R95-V97 PolarHBondContact O-N 3.29Å | ||
| 96 | V | 37.3 | Very low | 39.6 | Very low | 111 Ų | 111 | 98.5 Ų | 98.5 | 67% | 0.673 | 49% | 0.487 | S | S | * | . | trans | -73.4 | 109.4 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 97 | V | 39.2 | Very low | 39.7 | Very low | 39 Ų | 39 | 106.4 Ų | 106.4 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | trans | -83.6 | 105.6 | 163.6 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | I62 V64 R95 V99 | I62-V97 WeakPolarHBondContact O-CA 3.5Å; V64-V97 HydrophobicContact CG2-CG1 4.26Å; R95-V97 PolarHBondContact O-N 3.29Å; V97-V99 HydrophobicContact CG1-CG2 3.74Å | ||
| 98 | K | 37.5 | Very low | 39.6 | Very low | 109 Ų | 109 | 100.5 Ų | 100.5 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 106.5 | 173.6 | -156.1 | 172.1 | -174.7 | -177.8 | 0 | 108 | ||
| 99 | V | 41.4 | Very low | 39.8 | Very low | 53 Ų | 53 | 98 Ų | 98 | 32% | 0.321 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.9 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | V64 I83 V97 | V64-V99 HydrophobicContact CB-CG2 4.43Å; V64-V99 WeakPolarHBondContact O-CA 3.41Å; I83-V99 HydrophobicContact CD1-CG1 3.73Å; I83-V99 HydrophobicContact CG1-CG1 4.31Å; I83-V99 HydrophobicContact CG1-CG2 4.48Å; I83-V99 HydrophobicContact CG2-CG1 4.37Å; I83-V99 HydrophobicContact CG2-CG2 3.9Å; V97-V99 HydrophobicContact CG1-CG2 3.74Å |
| 100 | L | 39.4 | Very low | 40 | Very low | 44 Ų | 44 | 95.1 Ų | 95.1 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.8 | 177.9 | -72.3 | 158.8 | 0 | 0 | 0 | 109.3 | V64 L65 H66 L105 I113 | V64-L100 PolarHBondContact O-N 3.05Å; L65-L100 HydrophobicContact CD1-CB 4.06Å; L65-L100 HydrophobicContact CD1-CD1 4.06Å; H66-L100 PolarHBondContact N-O 3.12Å; H66-L100 VanDerWaalsContact N-O 3.13Å; L100-L105 HydrophobicContact CB-CD1 4.23Å; L100-I113 HydrophobicContact CD1-CB 4.36Å; L100-I113 HydrophobicContact CD1-CD1 3.5Å; L100-I113 VanDerWaalsContact CD1-CD1 3.5Å; L100-I113 HydrophobicContact CD1-CG1 3.7Å; L100-I113 HydrophobicContact CD1-CG2 3.66Å; L100-I113 HydrophobicContact CD2-CD1 4.43Å; L100-I113 HydrophobicContact CG-CD1 4.45Å |
| 101 | S | 42.6 | Very low | 40.5 | Very low | 55 Ų | 55 | 95.9 Ų | 95.9 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.4 | 176 | -176 | 0 | 0 | 0 | 0 | 109.8 | N103 | S101-N103 PolarHBondContact O-N 3.5Å |
| 102 | A | 42.5 | Very low | 41.1 | Very low | 35 Ų | 35 | 93 Ų | 93 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 44.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | H66 M67 L105 | H66-A102 PolarHBondContact O-N 2.73Å; H66-A102 VanDerWaalsContact O-N 3.08Å; M67-A102 HydrophobicContact CB-CB 4.37Å; M67-A102 HydrophobicContact CG-CB 4.33Å; A102-L105 HydrophobicContact CB-CD1 4.1Å |
| 103 | N | 37 | Very low | 41.8 | Very low | 73 Ų | 73 | 86.9 Ų | 86.9 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -28.3 | 168.4 | -66.7 | -40.6 | 0 | 0 | 0 | 114 | R68 S101 | R68-N103 WeakPolarHBondContact CD-OD1 3.48Å; R68-N103 PolarHBondContact NE-ND2 3.17Å; R68-N103 VanDerWaalsContact NE-ND2 3.16Å; R68-N103 PolarHBondContact NE-OD1 3.16Å; R68-N103 PolarHBondContact NH1-ND2 3.14Å; R68-N103 PolarHBondContact NH1-OD1 3.14Å; R68-N103 PolarHBondContact NH2-ND2 3.5Å; S101-N103 PolarHBondContact O-N 3.5Å |
| 104 | K | 34.6 | Very low | 42.7 | Very low | 190 Ų | 190 | 76.4 Ų | 76.4 | 83% | 0.826 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -125.6 | 8.4 | -169.8 | -67.2 | -170.7 | 175.2 | -173.1 | 0 | 113.1 | G106 | K104-G106 PolarHBondContact O-N 2.87Š|
| 105 | L | 40.4 | Very low | 43.8 | Very low | 49 Ų | 49 | 71.1 Ų | 71.1 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | trans | -87.2 | 95.6 | -179.4 | -67.2 | 168.9 | 0 | 0 | 0 | 109.2 | L100 A102 H109 I113 | L100-L105 HydrophobicContact CB-CD1 4.23Å; A102-L105 HydrophobicContact CB-CD1 4.1Å; L105-H109 HydrophobicContact CB-CB 4.39Å; L105-H109 HydrophobicContact CD2-CB 3.54Å; L105-I113 HydrophobicContact CD1-CD1 4.11Å; L105-I113 HydrophobicContact CD2-CD1 3.52Å; L105-I113 HydrophobicContact CG-CD1 4.48Å | ||
| 106 | G | 42.2 | Very low | 44.4 | Very low | 43 Ų | 43 | 71.5 Ų | 71.5 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | trans | -57.8 | 161.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K104 G108 H109 | K104-G106 PolarHBondContact O-N 2.87Å; G106-G108 PolarHBondContact O-N 3.38Å; G106-H109 PolarHBondContact O-N 2.91Å | ||
| 107 | R | 46.6 | Very low | 45.1 | Very low | 197 Ų | 197 | 67.7 Ų | 67.7 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -51.7 | -31.8 | -176 | -66.7 | 178.4 | -177.8 | 168.5 | 3.9 | 113.5 | ||
| 108 | G | 45.5 | Very low | 45.5 | Very low | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -78.3 | -29.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G106 L110 F111 N112 | G106-G108 PolarHBondContact O-N 3.38Å; G108-L110 PolarHBondContact O-N 2.78Å; G108-F111 WeakPolarHBondContact O-CB 3.44Å; G108-F111 PolarHBondContact O-N 3.26Å; G108-N112 PolarHBondContact O-N 2.8Å; G108-N112 VanDerWaalsContact O-N 3.14Å |
| 109 | H | 46 | Very low | 46 | Very low | 109 Ų | 109 | 71.2 Ų | 71.2 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | -179.4 | -86.9 | -45.5 | 0 | 0 | 0 | 112.6 | L105 G106 F111 N112 I113 | L105-H109 HydrophobicContact CB-CB 4.39Å; L105-H109 HydrophobicContact CD2-CB 3.54Å; G106-H109 PolarHBondContact O-N 2.91Å; H109-F111 VanDerWaalsContact C-N 3.28Å; H109-F111 PolarHBondContact O-N 3.01Å; H109-N112 PolarHBondContact O-N 3.05Å; H109-I113 VanDerWaalsContact O-CD1 3.29Å; H109-I113 WeakPolarHBondContact O-CD1 3.4Å; H109-I113 VanDerWaalsContact O-CG1 3.23Å; H109-I113 WeakPolarHBondContact O-CG1 3.28Å; H109-I113 PolarHBondContact O-N 3.38Å |
| 110 | L | 50.4 | Low | 46.2 | Very low | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.8 | -176 | 64.4 | 0 | 0 | 0 | 111.6 | L65 G108 I113 L114 F133 W136 | L65-L110 HydrophobicContact CD1-CD1 4.26Å; L65-L110 HydrophobicContact CD2-CD1 3.73Å; G108-L110 PolarHBondContact O-N 2.78Å; L110-I113 PolarHBondContact O-N 3.41Å; L110-L114 HydrophobicContact CD1-CD1 4.39Å; L110-L114 HydrophobicContact CD1-CG 4.32Å; L110-L114 HydrophobicContact CG-CD1 4.1Å; L110-L114 HydrophobicContact CG-CG 4.44Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.19Å; L110-L114 PolarHBondContact O-N 2.89Å; L110-F133 HydrophobicContact CD2-CE2 3.67Å; L110-F133 HydrophobicContact CD2-CZ 4.4Å; L110-W136 HydrophobicContact CD2-CH2 3.75Å; L110-W136 HydrophobicContact CD2-CZ3 3.58Å; L110-W136 HydrophobicContact CG-CH2 4.46Å |
| 111 | F | 50.4 | Low | 46.3 | Very low | 85 Ų | 85 | 74 Ų | 74 | 37% | 0.373 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 173.3 | 176.5 | -95.9 | 0 | 0 | 0 | 110.8 | G108 H109 I113 L114 N115 F144 | G108-F111 WeakPolarHBondContact O-CB 3.44Å; G108-F111 PolarHBondContact O-N 3.26Å; H109-F111 VanDerWaalsContact C-N 3.28Å; H109-F111 PolarHBondContact O-N 3.01Å; F111-I113 VanDerWaalsContact C-N 3.33Å; F111-I113 PolarHBondContact O-N 3.37Å; F111-L114 PolarHBondContact O-N 2.81Å; F111-N115 VanDerWaalsContact CE1-ND2 3.29Å; F111-N115 WeakPolarHBondContact CE1-ND2 3.35Å; F111-N115 VanDerWaalsContact CZ-ND2 3.33Å; F111-N115 WeakPolarHBondContact CZ-ND2 3.3Å; F111-N115 WeakPolarHBondContact O-CB 3.44Å; F111-N115 PolarHBondContact O-N 3.32Å; F111-F144 HydrophobicContact CB-CE1 4.43Å; F111-F144 HydrophobicContact CB-CZ 4.44Å; F111-F144 AromaticContact CD2-CE1 3.59Å; F111-F144 HydrophobicContact CD2-CE1 3.59Å; F111-F144 AromaticContact CD2-CZ 3.94Å; F111-F144 HydrophobicContact CD2-CZ 3.94Å; F111-F144 HydrophobicContact CE2-CE1 4.37Å; F111-F144 HydrophobicContact CG-CE1 4.44Å |
| 112 | N | 49.2 | Very low | 46.5 | Very low | 66 Ų | 66 | 75.4 Ų | 75.4 | 35% | 0.353 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 177.7 | -71.1 | -4.5 | 0 | 0 | 0 | 112.7 | G108 H109 Q116 | G108-N112 PolarHBondContact O-N 2.8Å; G108-N112 VanDerWaalsContact O-N 3.14Å; H109-N112 PolarHBondContact O-N 3.05Å; N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.29Å; N112-Q116 PolarHBondContact O-N 2.96Å |
| 113 | I | 52.3 | Low | 46.6 | Very low | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -49.5 | 177 | -67.6 | 154.5 | 0 | 0 | 0 | 110.9 | L65 L100 L105 H109 L110 F111 N115 Q116 F117 | L65-I113 HydrophobicContact CD1-CG2 3.9Å; L100-I113 HydrophobicContact CD1-CB 4.36Å; L100-I113 HydrophobicContact CD1-CD1 3.5Å; L100-I113 VanDerWaalsContact CD1-CD1 3.5Å; L100-I113 HydrophobicContact CD1-CG1 3.7Å; L100-I113 HydrophobicContact CD1-CG2 3.66Å; L100-I113 HydrophobicContact CD2-CD1 4.43Å; L100-I113 HydrophobicContact CG-CD1 4.45Å; L105-I113 HydrophobicContact CD1-CD1 4.11Å; L105-I113 HydrophobicContact CD2-CD1 3.52Å; L105-I113 HydrophobicContact CG-CD1 4.48Å; H109-I113 VanDerWaalsContact O-CD1 3.29Å; H109-I113 WeakPolarHBondContact O-CD1 3.4Å; H109-I113 VanDerWaalsContact O-CG1 3.23Å; H109-I113 WeakPolarHBondContact O-CG1 3.28Å; H109-I113 PolarHBondContact O-N 3.38Å; L110-I113 PolarHBondContact O-N 3.41Å; F111-I113 VanDerWaalsContact C-N 3.33Å; F111-I113 PolarHBondContact O-N 3.37Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.96Å; I113-Q116 WeakPolarHBondContact O-CB 3.31Å; I113-Q116 PolarHBondContact O-N 3.31Å; I113-F117 HydrophobicContact CG2-CD2 4.36Å; I113-F117 HydrophobicContact CG2-CE2 3.92Å; I113-F117 WeakPolarHBondContact O-CD2 3.44Å |
| 114 | L | 52.2 | Low | 47 | Very low | 17 Ų | 17 | 71.4 Ų | 71.4 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.2 | -70.4 | 173.3 | 0 | 0 | 0 | 111.4 | L110 F111 Q116 F117 R118 F144 I147 | L110-L114 HydrophobicContact CD1-CD1 4.39Å; L110-L114 HydrophobicContact CD1-CG 4.32Å; L110-L114 HydrophobicContact CG-CD1 4.1Å; L110-L114 HydrophobicContact CG-CG 4.44Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.19Å; L110-L114 PolarHBondContact O-N 2.89Å; F111-L114 PolarHBondContact O-N 2.81Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 2.76Å; L114-F117 PolarHBondContact O-N 3.43Å; L114-F117 VanDerWaalsContact O-N 3.13Å; L114-R118 PolarHBondContact O-N 3.04Å; L114-F144 HydrophobicContact CD1-CD1 4.03Å; L114-F144 HydrophobicContact CD1-CE1 3.89Å; L114-F144 HydrophobicContact CD1-CZ 4.42Å; L114-I147 HydrophobicContact CB-CG2 4.25Å |
| 115 | N | 54 | Low | 47.4 | Very low | 54 Ų | 54 | 63.9 Ų | 63.9 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 173.7 | -108.9 | -13.6 | 0 | 0 | 0 | 112.8 | F111 I113 F117 R118 I147 | F111-N115 VanDerWaalsContact CE1-ND2 3.29Å; F111-N115 WeakPolarHBondContact CE1-ND2 3.35Å; F111-N115 VanDerWaalsContact CZ-ND2 3.33Å; F111-N115 WeakPolarHBondContact CZ-ND2 3.3Å; F111-N115 WeakPolarHBondContact O-CB 3.44Å; F111-N115 PolarHBondContact O-N 3.32Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.96Å; N115-F117 PolarHBondContact O-N 3.28Å; N115-F117 VanDerWaalsContact O-N 3.17Å; N115-R118 VanDerWaalsContact O-CB 3.23Å; N115-R118 WeakPolarHBondContact O-CB 3.42Å; N115-R118 PolarHBondContact O-N 3.11Å; N115-R118 VanDerWaalsContact O-N 3.1Å; N115-I147 WeakPolarHBondContact OD1-CD1 3.35Å |
| 116 | Q | 52.7 | Low | 47.5 | Very low | 92 Ų | 92 | 62.9 Ų | 62.9 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -21.5 | 175.3 | -79.3 | 176.4 | 16.5 | 0 | 0 | 113.3 | N112 I113 L114 | N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.29Å; N112-Q116 PolarHBondContact O-N 2.96Å; I113-Q116 WeakPolarHBondContact O-CB 3.31Å; I113-Q116 PolarHBondContact O-N 3.31Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 2.76Å |
| 117 | F | 51.5 | Low | 47.4 | Very low | 32 Ų | 32 | 62.7 Ų | 62.7 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -5.7 | 177.1 | -66 | -73 | 0 | 0 | 0 | 113.8 | A63 I113 L114 N115 G119 T120 | A63-F117 HydrophobicContact CB-CE1 3.93Å; A63-F117 HydrophobicContact CB-CE2 4.28Å; A63-F117 HydrophobicContact CB-CZ 3.58Å; I113-F117 HydrophobicContact CG2-CD2 4.36Å; I113-F117 HydrophobicContact CG2-CE2 3.92Å; I113-F117 WeakPolarHBondContact O-CD2 3.44Å; L114-F117 PolarHBondContact O-N 3.43Å; L114-F117 VanDerWaalsContact O-N 3.13Å; N115-F117 PolarHBondContact O-N 3.28Å; N115-F117 VanDerWaalsContact O-N 3.17Å; F117-G119 PolarHBondContact O-N 3.3Å; F117-T120 PolarHBondContact O-N 3.12Å; F117-T120 VanDerWaalsContact O-N 3.12Å; F117-T120 PolarHBondContact O-OG1 3.31Å |
| 118 | R | 46.6 | Very low | 47.3 | Very low | 153 Ų | 153 | 54.1 Ų | 54.1 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 126.7 | 178.1 | -168 | 178 | -179.8 | -176.5 | -3.6 | 110.1 | L114 N115 I147 | L114-R118 PolarHBondContact O-N 3.04Å; N115-R118 VanDerWaalsContact O-CB 3.23Å; N115-R118 WeakPolarHBondContact O-CB 3.42Å; N115-R118 PolarHBondContact O-N 3.11Å; N115-R118 VanDerWaalsContact O-N 3.1Å; R118-I147 HydrophobicContact CB-CG1 4.26Å; R118-I147 HydrophobicContact CG-CG1 4Å |
| 119 | G | 48.2 | Very low | 47.1 | Very low | 69 Ų | 69 | 55.5 Ų | 55.5 | 71% | 0.711 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 10.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | F117 | F117-G119 PolarHBondContact O-N 3.3Š|
| 120 | T | 46.3 | Very low | 47 | Very low | 26 Ų | 26 | 52 Ų | 52 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | trans | -108.5 | 132.6 | 175.2 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | F117 R122 | F117-T120 PolarHBondContact O-N 3.12Å; F117-T120 VanDerWaalsContact O-N 3.12Å; F117-T120 PolarHBondContact O-OG1 3.31Å; T120-R122 PolarHBondContact O-N 3.09Å; T120-R122 WeakPolarHBondContact OG1-CD 3.17Å | ||
| 121 | N | 42.1 | Very low | 46.8 | Very low | 128 Ų | 128 | 55.8 Ų | 55.8 | 68% | 0.684 | 29% | 0.292 | S | S | * | . | trans | -70.5 | 54.1 | 173.3 | -81.9 | -14 | 0 | 0 | 0 | 112.1 | N152 | N121-N152 PolarHBondContact OD1-ND2 3.1Š| ||
| 122 | R | 46.3 | Very low | 46.7 | Very low | 86 Ų | 86 | 56.7 Ų | 56.7 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | trans | -126.8 | 154.5 | -166.2 | -62.5 | 177.9 | -173.6 | 160.9 | 5.8 | 112.2 | K61 T120 | K61-R122 HydrophobicContact CB-CG 4.33Å; T120-R122 PolarHBondContact O-N 3.09Å; T120-R122 WeakPolarHBondContact OG1-CD 3.17Å | ||
| 123 | V | 44.7 | Very low | 46.8 | Very low | 18 Ų | 18 | 54.9 Ų | 54.9 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.8 | -168.5 | 177.3 | 0 | 0 | 0 | 0 | 112 | V56 A63 V125 F153 | V56-V123 HydrophobicContact CG1-CG2 4.31Å; A63-V123 PolarHBondContact N-O 3.39Å; A63-V123 VanDerWaalsContact N-O 3.14Å; V123-V125 HydrophobicContact CG1-CG2 4.45Å; V123-F153 HydrophobicContact CB-CB 4.39Å; V123-F153 HydrophobicContact CG1-CB 3.95Å; V123-F153 HydrophobicContact CG1-CD1 3.43Å; V123-F153 VanDerWaalsContact CG1-CD1 3.43Å; V123-F153 HydrophobicContact CG1-CE1 4.3Å; V123-F153 HydrophobicContact CG1-CG 4.07Å; V123-F153 HydrophobicContact CG2-CB 3.93Å |
| 124 | V | 45.1 | Very low | 46.8 | Very low | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.5 | 175 | -177 | 0 | 0 | 0 | 0 | 110.2 | V126 I151 F153 I154 Y155 | V124-V126 HydrophobicContact CG1-CG2 3.88Å; V124-I151 HydrophobicContact CG2-CD1 4.43Å; V124-I151 HydrophobicContact CG2-CG2 4.41Å; V124-F153 PolarHBondContact N-O 2.95Å; V124-F153 VanDerWaalsContact N-O 3.14Å; V124-I154 VanDerWaalsContact O-CA 3.31Å; V124-I154 WeakPolarHBondContact O-CA 3.36Å; V124-Y155 PolarHBondContact O-N 2.78Å |
| 125 | V | 42.2 | Very low | 46.8 | Very low | 31 Ų | 31 | 60.4 Ų | 60.4 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.1 | 173.2 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | A63 L65 V123 Y155 | A63-V125 PolarHBondContact O-N 3.27Å; A63-V125 VanDerWaalsContact O-N 3.17Å; L65-V125 CarbonylContact C-O 3.48Å; L65-V125 WeakPolarHBondContact CA-O 3.27Å; L65-V125 WeakPolarHBondContact CB-O 3.43Å; L65-V125 PolarHBondContact N-O 3.26Å; V123-V125 HydrophobicContact CG1-CG2 4.45Å; V125-Y155 HydrophobicContact CG1-CD1 3.97Å; V125-Y155 HydrophobicContact CG1-CG 4.17Å |
| 126 | V | 43.1 | Very low | 46.9 | Very low | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.6 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | L65 M67 V124 Y155 | L65-V126 HydrophobicContact CB-CG2 4.44Å; L65-V126 HydrophobicContact CD2-CG1 4.39Å; L65-V126 HydrophobicContact CD2-CG2 4.27Å; L65-V126 WeakPolarHBondContact O-CA 3.46Å; M67-V126 HydrophobicContact CE-CG1 3.49Å; M67-V126 VanDerWaalsContact CE-CG1 3.49Å; M67-V126 HydrophobicContact CG-CG1 4.36Å; M67-V126 HydrophobicContact SD-CG1 4.2Å; V124-V126 HydrophobicContact CG1-CG2 3.88Å; V126-Y155 PolarHBondContact N-O 3.36Å; V126-Y155 VanDerWaalsContact N-O 3.07Å; V126-Y155 VanDerWaalsContact O-O 3.07Å |
| 127 | C | 41.1 | Very low | 47 | Very low | 38 Ų | 38 | 56.4 Ų | 56.4 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.1 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | L65 M67 Y155 | L65-C127 PolarHBondContact O-N 3.47Å; M67-C127 PolarHBondContact N-O 3.45Å; C127-Y155 WeakPolarHBondContact SG-CD1 3.5Å; C127-Y155 WeakPolarHBondContact SG-CE1 3.27Å |
| 128 | G | 44 | Very low | 47.3 | Very low | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | 156.1 | 125.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M67 | M67-G128 WeakPolarHBondContact CE-O 3.26Å; M67-G128 WeakPolarHBondContact O-CA 3.33Å | ||
| 129 | Y | 40 | Very low | 47.9 | Very low | 77 Ų | 77 | 62.9 Ų | 62.9 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | trans | -87.9 | 112.2 | 171.9 | -172 | -92.2 | 0 | 0 | 0 | 109.8 | D69 N131 E159 | D69-Y129 VanDerWaalsContact CG-O 3.31Å; Y129-N131 PolarHBondContact OH-OD1 2.84Å; Y129-E159 HydrophobicContact CD2-CB 4.21Å; Y129-E159 HydrophobicContact CE2-CB 4.37Å | ||
| 130 | M | 45.3 | Very low | 48.3 | Very low | 35 Ų | 35 | 61 Ų | 61 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | trans | -129.1 | 113.6 | 168.9 | -91 | -76.6 | 149.5 | 0 | 0 | 107.4 | R68 D69 T70 Y71 T132 F133 V134 | R68-M130 WeakPolarHBondContact O-CE 3.35Å; D69-M130 HydrophobicContact CB-CE 4.44Å; D69-M130 WeakPolarHBondContact OD1-CE 3.33Å; T70-M130 HydrophobicContact CG2-CE 4.29Å; T70-M130 WeakPolarHBondContact OG1-CE 3.5Å; Y71-M130 HydrophobicContact CE2-CE 4.43Å; M130-T132 PolarHBondContact O-N 3.33Å; M130-T132 VanDerWaalsContact O-N 3.12Å; M130-F133 HydrophobicContact CB-CB 3.47Å; M130-F133 VanDerWaalsContact CB-CB 3.47Å; M130-F133 CarbonylContact O-C 3.51Å; M130-F133 WeakPolarHBondContact O-CA 3.47Å; M130-F133 WeakPolarHBondContact O-CB 3.47Å; M130-F133 PolarHBondContact O-N 2.9Å; M130-V134 WeakPolarHBondContact O-CG2 3.33Å; M130-V134 PolarHBondContact O-N 3.36Å | ||
| 131 | N | 45.6 | Very low | 48.7 | Very low | 97 Ų | 97 | 59.9 Ų | 59.9 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.1 | -32.3 | 178.6 | -102.2 | -35.3 | 0 | 0 | 0 | 112.6 | Y129 K135 | Y129-N131 PolarHBondContact OH-OD1 2.84Å; N131-K135 WeakPolarHBondContact O-CG 3.45Å; N131-K135 PolarHBondContact O-N 2.86Å; N131-K135 VanDerWaalsContact O-N 3.08Å |
| 132 | T | 48.7 | Very low | 49.4 | Very low | 104 Ų | 104 | 56.9 Ų | 56.9 | 64% | 0.638 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.8 | -42.7 | 173.2 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | M130 K135 W136 | M130-T132 PolarHBondContact O-N 3.33Å; M130-T132 VanDerWaalsContact O-N 3.12Å; T132-K135 PolarHBondContact O-N 3.21Å; T132-W136 WeakPolarHBondContact O-CB 3.16Å; T132-W136 PolarHBondContact O-N 3.2Å |
| 133 | F | 51.7 | Low | 49.8 | Very low | 28 Ų | 28 | 61.9 Ų | 61.9 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 172.5 | 178.1 | -98.7 | 0 | 0 | 0 | 111.2 | M67 L110 M130 K135 W136 F137 F160 | M67-F133 HydrophobicContact CE-CD1 3.39Å; M67-F133 HydrophobicContact CE-CD2 4.2Å; M67-F133 HydrophobicContact CE-CE1 3.23Å; M67-F133 HydrophobicContact CE-CE2 4.05Å; M67-F133 HydrophobicContact CE-CG 3.9Å; M67-F133 HydrophobicContact CE-CZ 3.58Å; M67-F133 HydrophobicContact SD-CD1 3.9Å; M67-F133 HydrophobicContact SD-CD2 3.54Å; M67-F133 VanDerWaalsContact SD-CD2 3.54Å; M67-F133 HydrophobicContact SD-CE1 3.75Å; M67-F133 HydrophobicContact SD-CE2 3.36Å; M67-F133 WeakPolarHBondContact SD-CE2 3.34Å; M67-F133 HydrophobicContact SD-CG 3.81Å; M67-F133 HydrophobicContact SD-CZ 3.47Å; M67-F133 WeakPolarHBondContact SD-CZ 3.33Å; L110-F133 HydrophobicContact CD2-CE2 3.67Å; L110-F133 HydrophobicContact CD2-CZ 4.4Å; M130-F133 HydrophobicContact CB-CB 3.47Å; M130-F133 VanDerWaalsContact CB-CB 3.47Å; M130-F133 CarbonylContact O-C 3.51Å; M130-F133 WeakPolarHBondContact O-CA 3.47Å; M130-F133 WeakPolarHBondContact O-CB 3.47Å; M130-F133 PolarHBondContact O-N 2.9Å; F133-K135 VanDerWaalsContact C-N 3.27Å; F133-K135 PolarHBondContact O-N 3.11Å; F133-W136 AromaticContact CD2-CE3 3.83Å; F133-W136 HydrophobicContact CD2-CE3 3.83Å; F133-W136 HydrophobicContact CD2-CZ3 4.14Å; F133-W136 AromaticContact CE2-CE3 3.74Å; F133-W136 HydrophobicContact CE2-CE3 3.74Å; F133-W136 AromaticContact CE2-CZ3 3.6Å; F133-W136 HydrophobicContact CE2-CZ3 3.6Å; F133-W136 HydrophobicContact CZ-CZ3 4.42Å; F133-W136 CarbonylContact O-C 3.55Å; F133-W136 PolarHBondContact O-N 3.49Å; F133-W136 VanDerWaalsContact O-N 3.1Å; F133-F137 HydrophobicContact CD1-CB 4.24Å; F133-F137 HydrophobicContact CE1-CB 3.84Å; F133-F137 HydrophobicContact CE1-CD2 4.02Å; F133-F137 AromaticContact CE1-CG 3.91Å; F133-F137 HydrophobicContact CE1-CG 3.91Å; F133-F137 HydrophobicContact CE2-CB 4.32Å; F133-F137 HydrophobicContact CE2-CD2 4.13Å; F133-F137 HydrophobicContact CZ-CB 3.9Å; F133-F137 AromaticContact CZ-CD2 3.46Å; F133-F137 HydrophobicContact CZ-CD2 3.46Å; F133-F137 VanDerWaalsContact CZ-CD2 3.46Å; F133-F137 HydrophobicContact CZ-CE2 4.15Å; F133-F137 AromaticContact CZ-CG 3.81Å; F133-F137 HydrophobicContact CZ-CG 3.81Å; F133-F137 WeakPolarHBondContact O-CB 3.22Å; F133-F137 PolarHBondContact O-N 2.99Å; F133-F160 AromaticContact CD1-CE2 3.72Å; F133-F160 HydrophobicContact CD1-CE2 3.72Å; F133-F160 HydrophobicContact CD1-CZ 4.11Å; F133-F160 AromaticContact CE1-CE2 3.63Å; F133-F160 HydrophobicContact CE1-CE2 3.63Å; F133-F160 AromaticContact CE1-CZ 3.55Å; F133-F160 HydrophobicContact CE1-CZ 3.55Å |
| 134 | V | 50.6 | Low | 50.2 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | M130 R138 F160 | M130-V134 WeakPolarHBondContact O-CG2 3.33Å; M130-V134 PolarHBondContact O-N 3.36Å; V134-R138 HydrophobicContact CG1-CG 4.46Å; V134-R138 WeakPolarHBondContact O-CB 3Å; V134-R138 WeakPolarHBondContact O-CG 3.49Å; V134-R138 PolarHBondContact O-N 2.61Å; V134-F160 HydrophobicContact CB-CE2 4.38Å; V134-F160 HydrophobicContact CG2-CD2 3.73Å; V134-F160 HydrophobicContact CG2-CE2 3.67Å |
| 135 | K | 53.7 | Low | 50.6 | Low | 143 Ų | 143 | 65.1 Ų | 65.1 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | 176.1 | -77.3 | -177.8 | -178.4 | -178.4 | 0 | 113 | N131 T132 F133 R139 | N131-K135 WeakPolarHBondContact O-CG 3.45Å; N131-K135 PolarHBondContact O-N 2.86Å; N131-K135 VanDerWaalsContact O-N 3.08Å; T132-K135 PolarHBondContact O-N 3.21Å; F133-K135 VanDerWaalsContact C-N 3.27Å; F133-K135 PolarHBondContact O-N 3.11Å; K135-R139 WeakPolarHBondContact O-CG 3.44Å; K135-R139 PolarHBondContact O-N 3.09Å |
| 136 | W | 56.2 | Low | 51.2 | Low | 43 Ų | 43 | 65.8 Ų | 65.8 | 16% | 0.163 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -53.7 | 177.7 | 173 | 80.3 | 0 | 0 | 0 | 111.3 | L110 T132 F133 R138 R139 T140 F144 | L110-W136 HydrophobicContact CD2-CH2 3.75Å; L110-W136 HydrophobicContact CD2-CZ3 3.58Å; L110-W136 HydrophobicContact CG-CH2 4.46Å; T132-W136 WeakPolarHBondContact O-CB 3.16Å; T132-W136 PolarHBondContact O-N 3.2Å; F133-W136 AromaticContact CD2-CE3 3.83Å; F133-W136 HydrophobicContact CD2-CE3 3.83Å; F133-W136 HydrophobicContact CD2-CZ3 4.14Å; F133-W136 AromaticContact CE2-CE3 3.74Å; F133-W136 HydrophobicContact CE2-CE3 3.74Å; F133-W136 AromaticContact CE2-CZ3 3.6Å; F133-W136 HydrophobicContact CE2-CZ3 3.6Å; F133-W136 HydrophobicContact CZ-CZ3 4.42Å; F133-W136 CarbonylContact O-C 3.55Å; F133-W136 PolarHBondContact O-N 3.49Å; F133-W136 VanDerWaalsContact O-N 3.1Å; W136-R138 VanDerWaalsContact C-N 3.34Å; W136-R138 PolarHBondContact O-N 3.21Å; W136-R139 CarbonylContact O-C 3.58Å; W136-R139 WeakPolarHBondContact O-CA 3.37Å; W136-R139 WeakPolarHBondContact O-CB 3.24Å; W136-R139 PolarHBondContact O-N 3.23Å; W136-T140 HydrophobicContact CD2-CG2 4.48Å; W136-T140 HydrophobicContact CZ2-CG2 4.2Å; W136-T140 PolarHBondContact O-N 3.06Å; W136-T140 PolarHBondContact O-OG1 3.5Å; W136-F144 AromaticContact CH2-CE2 3.97Å; W136-F144 HydrophobicContact CH2-CE2 3.97Å; W136-F144 HydrophobicContact CH2-CZ 4.02Å; W136-F144 HydrophobicContact CZ2-CE2 4.39Å; W136-F144 HydrophobicContact CZ2-CZ 4.43Å |
| 137 | F | 55.1 | Low | 51.6 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 177.6 | -165.9 | -102.1 | 0 | 0 | 0 | 110.7 | F133 R139 T140 V141 F160 L164 | F133-F137 HydrophobicContact CD1-CB 4.24Å; F133-F137 HydrophobicContact CE1-CB 3.84Å; F133-F137 HydrophobicContact CE1-CD2 4.02Å; F133-F137 AromaticContact CE1-CG 3.91Å; F133-F137 HydrophobicContact CE1-CG 3.91Å; F133-F137 HydrophobicContact CE2-CB 4.32Å; F133-F137 HydrophobicContact CE2-CD2 4.13Å; F133-F137 HydrophobicContact CZ-CB 3.9Å; F133-F137 AromaticContact CZ-CD2 3.46Å; F133-F137 HydrophobicContact CZ-CD2 3.46Å; F133-F137 VanDerWaalsContact CZ-CD2 3.46Å; F133-F137 HydrophobicContact CZ-CE2 4.15Å; F133-F137 AromaticContact CZ-CG 3.81Å; F133-F137 HydrophobicContact CZ-CG 3.81Å; F133-F137 WeakPolarHBondContact O-CB 3.22Å; F133-F137 PolarHBondContact O-N 2.99Å; F137-R139 PolarHBondContact O-N 3.23Å; F137-T140 PolarHBondContact O-N 3.45Å; F137-V141 HydrophobicContact CD1-CG2 3.12Å; F137-V141 HydrophobicContact CD2-CG2 3.97Å; F137-V141 HydrophobicContact CE1-CG2 3.04Å; F137-V141 HydrophobicContact CE2-CG2 3.88Å; F137-V141 HydrophobicContact CG-CG2 3.62Å; F137-V141 HydrophobicContact CZ-CG2 3.44Å; F137-V141 VanDerWaalsContact CZ-CG2 3.44Å; F137-V141 WeakPolarHBondContact O-CA 3.36Å; F137-V141 WeakPolarHBondContact O-CB 3.29Å; F137-V141 WeakPolarHBondContact O-CG2 3.18Å; F137-V141 PolarHBondContact O-N 3.13Å; F137-F160 HydrophobicContact CB-CZ 4.24Å; F137-F160 AromaticContact CD1-CE1 3.69Å; F137-F160 HydrophobicContact CD1-CE1 3.69Å; F137-F160 AromaticContact CD1-CZ 3.32Å; F137-F160 HydrophobicContact CD1-CZ 3.32Å; F137-F160 AromaticContact CE1-CE1 3.66Å; F137-F160 HydrophobicContact CE1-CE1 3.66Å; F137-F160 AromaticContact CE1-CZ 3.77Å; F137-F160 HydrophobicContact CE1-CZ 3.77Å; F137-F160 AromaticContact CG-CZ 3.89Å; F137-F160 HydrophobicContact CG-CZ 3.89Å; F137-L164 HydrophobicContact CD1-CD2 4.41Å; F137-L164 HydrophobicContact CE1-CD2 4.38Å |
| 138 | R | 55.9 | Low | 52.2 | Low | 113 Ų | 113 | 63.9 Ų | 63.9 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.9 | -37.5 | 172.8 | -80.9 | 179.3 | -177.1 | 174.4 | 8.3 | 113.2 | V134 W136 S163 K167 | V134-R138 HydrophobicContact CG1-CG 4.46Å; V134-R138 WeakPolarHBondContact O-CB 3Å; V134-R138 WeakPolarHBondContact O-CG 3.49Å; V134-R138 PolarHBondContact O-N 2.61Å; W136-R138 VanDerWaalsContact C-N 3.34Å; W136-R138 PolarHBondContact O-N 3.21Å; R138-S163 PolarHBondContact NE-O 3.35Å; R138-S163 PolarHBondContact NH2-OG 3.23Å; R138-K167 PolarHBondContact O-NZ 3.45Å |
| 139 | R | 59 | Low | 52.5 | Low | 208 Ų | 208 | 67 Ų | 67 | 79% | 0.785 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.6 | -36.2 | 178.5 | -73.5 | 177.9 | 177.6 | -175.5 | -2.1 | 112.9 | K135 W136 F137 | K135-R139 WeakPolarHBondContact O-CG 3.44Å; K135-R139 PolarHBondContact O-N 3.09Å; W136-R139 CarbonylContact O-C 3.58Å; W136-R139 WeakPolarHBondContact O-CA 3.37Å; W136-R139 WeakPolarHBondContact O-CB 3.24Å; W136-R139 PolarHBondContact O-N 3.23Å; F137-R139 PolarHBondContact O-N 3.23Å |
| 140 | T | 56.7 | Low | 53 | Low | 29 Ų | 29 | 64.7 Ų | 64.7 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -98.2 | -14.1 | -174.6 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | W136 F137 S142 Y143 F144 | W136-T140 HydrophobicContact CD2-CG2 4.48Å; W136-T140 HydrophobicContact CZ2-CG2 4.2Å; W136-T140 PolarHBondContact O-N 3.06Å; W136-T140 PolarHBondContact O-OG1 3.5Å; F137-T140 PolarHBondContact O-N 3.45Å; T140-S142 PolarHBondContact O-N 3.45Å; T140-S142 VanDerWaalsContact O-N 3.11Å; T140-Y143 WeakPolarHBondContact O-CA 3.1Å; T140-Y143 VanDerWaalsContact O-CB 3.3Å; T140-Y143 WeakPolarHBondContact O-CB 2.95Å; T140-Y143 PolarHBondContact O-N 3.33Å; T140-F144 WeakPolarHBondContact O-CD2 3.13Å |
| 141 | V | 54.9 | Low | 53 | Low | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -51.4 | -36.7 | -177.5 | 145.7 | 0 | 0 | 0 | 0 | 114 | F137 Y143 F144 E145 K167 F170 | F137-V141 HydrophobicContact CD1-CG2 3.12Å; F137-V141 HydrophobicContact CD2-CG2 3.97Å; F137-V141 HydrophobicContact CE1-CG2 3.04Å; F137-V141 HydrophobicContact CE2-CG2 3.88Å; F137-V141 HydrophobicContact CG-CG2 3.62Å; F137-V141 HydrophobicContact CZ-CG2 3.44Å; F137-V141 VanDerWaalsContact CZ-CG2 3.44Å; F137-V141 WeakPolarHBondContact O-CA 3.36Å; F137-V141 WeakPolarHBondContact O-CB 3.29Å; F137-V141 WeakPolarHBondContact O-CG2 3.18Å; F137-V141 PolarHBondContact O-N 3.13Å; V141-Y143 VanDerWaalsContact C-N 3.25Å; V141-Y143 PolarHBondContact O-N 3.01Å; V141-F144 PolarHBondContact O-N 2.74Å; V141-E145 PolarHBondContact O-N 3.21Å; V141-K167 HydrophobicContact CG1-CD 4.06Å; V141-F170 HydrophobicContact CB-CZ 4.45Å; V141-F170 HydrophobicContact CG1-CD1 4.4Å; V141-F170 HydrophobicContact CG1-CD2 4.28Å; V141-F170 HydrophobicContact CG1-CE1 3.59Å; V141-F170 HydrophobicContact CG1-CE2 3.48Å; V141-F170 VanDerWaalsContact CG1-CE2 3.48Å; V141-F170 HydrophobicContact CG1-CZ 3.09Å; V141-F170 WeakPolarHBondContact O-CE1 3.31Å |
| 142 | S | 57.7 | Low | 52.9 | Low | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -63.5 | -30.7 | 176.6 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | T140 F144 | T140-S142 PolarHBondContact O-N 3.45Å; T140-S142 VanDerWaalsContact O-N 3.11Å; S142-F144 PolarHBondContact O-N 2.65Å |
| 143 | Y | 54.6 | Low | 52.6 | Low | 192 Ų | 192 | 61 Ų | 61 | 75% | 0.753 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -70.8 | -18.6 | 172.9 | -69.3 | -87.8 | 0 | 0 | 0 | 112.7 | T140 V141 | T140-Y143 WeakPolarHBondContact O-CA 3.1Å; T140-Y143 VanDerWaalsContact O-CB 3.3Å; T140-Y143 WeakPolarHBondContact O-CB 2.95Å; T140-Y143 PolarHBondContact O-N 3.33Å; V141-Y143 VanDerWaalsContact C-N 3.25Å; V141-Y143 PolarHBondContact O-N 3.01Å |
| 144 | F | 52.8 | Low | 52.3 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -99.8 | 0.1 | -176.6 | -65.3 | -73.2 | 0 | 0 | 0 | 114.1 | F111 L114 W136 T140 V141 S142 G146 I147 M148 | F111-F144 HydrophobicContact CB-CE1 4.43Å; F111-F144 HydrophobicContact CB-CZ 4.44Å; F111-F144 AromaticContact CD2-CE1 3.59Å; F111-F144 HydrophobicContact CD2-CE1 3.59Å; F111-F144 AromaticContact CD2-CZ 3.94Å; F111-F144 HydrophobicContact CD2-CZ 3.94Å; F111-F144 HydrophobicContact CE2-CE1 4.37Å; F111-F144 HydrophobicContact CG-CE1 4.44Å; L114-F144 HydrophobicContact CD1-CD1 4.03Å; L114-F144 HydrophobicContact CD1-CE1 3.89Å; L114-F144 HydrophobicContact CD1-CZ 4.42Å; W136-F144 AromaticContact CH2-CE2 3.97Å; W136-F144 HydrophobicContact CH2-CE2 3.97Å; W136-F144 HydrophobicContact CH2-CZ 4.02Å; W136-F144 HydrophobicContact CZ2-CE2 4.39Å; W136-F144 HydrophobicContact CZ2-CZ 4.43Å; T140-F144 WeakPolarHBondContact O-CD2 3.13Å; V141-F144 PolarHBondContact O-N 2.74Å; S142-F144 PolarHBondContact O-N 2.65Å; F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.86Å; F144-I147 HydrophobicContact CD1-CD1 3.85Å; F144-I147 HydrophobicContact CE1-CD1 4.49Å; F144-I147 WeakPolarHBondContact O-CA 3.16Å; F144-I147 PolarHBondContact O-N 2.88Å; F144-M148 HydrophobicContact CB-CG 4.32Å; F144-M148 WeakPolarHBondContact O-CG 3.33Å; F144-M148 PolarHBondContact O-N 3.24Å |
| 145 | E | 54.5 | Low | 52.1 | Low | 85 Ų | 85 | 62.7 Ų | 62.7 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.5 | -45.8 | -175.4 | -168.7 | 174.5 | 176.4 | 0 | 0 | 112.9 | V141 I147 M148 N149 F170 | V141-E145 PolarHBondContact O-N 3.21Å; E145-I147 VanDerWaalsContact C-N 3.28Å; E145-I147 PolarHBondContact O-N 2.66Å; E145-M148 PolarHBondContact O-N 2.99Å; E145-N149 PolarHBondContact O-N 3.03Å; E145-F170 HydrophobicContact CB-CE1 3.79Å; E145-F170 HydrophobicContact CB-CZ 4.33Å; E145-F170 HydrophobicContact CG-CD1 4.45Å; E145-F170 HydrophobicContact CG-CE1 3.96Å; E145-F170 HydrophobicContact CG-CZ 4.39Å |
| 146 | G | 54.9 | Low | 51.6 | Low | 46 Ų | 46 | 57.7 Ų | 57.7 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -23 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F144 | F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.86Å |
| 147 | I | 51.4 | Low | 50.9 | Low | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -83.5 | -41.4 | 174.2 | -65.8 | 159.4 | 0 | 0 | 0 | 109.9 | L114 N115 R118 F144 E145 N149 A150 I151 | L114-I147 HydrophobicContact CB-CG2 4.25Å; N115-I147 WeakPolarHBondContact OD1-CD1 3.35Å; R118-I147 HydrophobicContact CB-CG1 4.26Å; R118-I147 HydrophobicContact CG-CG1 4Å; F144-I147 HydrophobicContact CD1-CD1 3.85Å; F144-I147 HydrophobicContact CE1-CD1 4.49Å; F144-I147 WeakPolarHBondContact O-CA 3.16Å; F144-I147 PolarHBondContact O-N 2.88Å; E145-I147 VanDerWaalsContact C-N 3.28Å; E145-I147 PolarHBondContact O-N 2.66Å; I147-N149 PolarHBondContact O-N 3.29Å; I147-A150 PolarHBondContact O-N 3.44Å; I147-A150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 4.04Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å |
| 148 | M | 52.2 | Low | 50 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 179 | -67.6 | -66.3 | -68.2 | 0 | 0 | 111.8 | F144 E145 A150 I151 I154 F170 | F144-M148 HydrophobicContact CB-CG 4.32Å; F144-M148 WeakPolarHBondContact O-CG 3.33Å; F144-M148 PolarHBondContact O-N 3.24Å; E145-M148 PolarHBondContact O-N 2.99Å; M148-A150 PolarHBondContact O-N 3.44Å; M148-I151 PolarHBondContact O-N 3.17Å; M148-I154 HydrophobicContact CE-CD1 3.36Å; M148-I154 HydrophobicContact SD-CD1 3.69Å; M148-F170 HydrophobicContact CB-CD1 3.82Å; M148-F170 HydrophobicContact CG-CD1 3.89Å; M148-F170 HydrophobicContact CG-CE1 4.39Å |
| 149 | N | 51.8 | Low | 49.2 | Very low | 82 Ų | 82 | 64.6 Ų | 64.6 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | 177 | -70.3 | -8.5 | 0 | 0 | 0 | 113.6 | E145 I147 | E145-N149 PolarHBondContact O-N 3.03Å; I147-N149 PolarHBondContact O-N 3.29Å |
| 150 | A | 48.8 | Very low | 48.3 | Very low | 29 Ų | 29 | 55.5 Ų | 55.5 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I147 M148 | I147-A150 PolarHBondContact O-N 3.44Å; I147-A150 VanDerWaalsContact O-N 3.15Å; M148-A150 PolarHBondContact O-N 3.44Å |
| 151 | I | 46.4 | Very low | 47.6 | Very low | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | trans | -99 | 119.8 | -175.2 | -61.5 | 163.6 | 0 | 0 | 0 | 109.8 | V124 I147 M148 F153 I154 | V124-I151 HydrophobicContact CG2-CD1 4.43Å; V124-I151 HydrophobicContact CG2-CG2 4.41Å; I147-I151 HydrophobicContact CG2-CD1 4.04Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; M148-I151 PolarHBondContact O-N 3.17Å; I151-F153 WeakPolarHBondContact CG2-O 3.14Å; I151-I154 HydrophobicContact CB-CD1 4.07Å; I151-I154 HydrophobicContact CB-CG1 4.1Å; I151-I154 HydrophobicContact CD1-CD1 4.08Å; I151-I154 HydrophobicContact CG2-CD1 3.96Å; I151-I154 HydrophobicContact CG2-CG1 3.44Å; I151-I154 VanDerWaalsContact CG2-CG1 3.44Å | ||
| 152 | N | 43.7 | Very low | 47 | Very low | 70 Ų | 70 | 65.1 Ų | 65.1 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -76.9 | -18.4 | -177 | -72.9 | -15.6 | 0 | 0 | 0 | 114.7 | N121 Y175 | N121-N152 PolarHBondContact OD1-ND2 3.1Å; N152-Y175 PolarHBondContact O-OH 3.2Å |
| 153 | F | 42.2 | Very low | 46.5 | Very low | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.342 | 31% | 0.305 | S | S | . | . | trans | -151.7 | 125 | 177 | -172.5 | -87.1 | 0 | 0 | 0 | 111.3 | V123 V124 I151 | V123-F153 HydrophobicContact CB-CB 4.39Å; V123-F153 HydrophobicContact CG1-CB 3.95Å; V123-F153 HydrophobicContact CG1-CD1 3.43Å; V123-F153 VanDerWaalsContact CG1-CD1 3.43Å; V123-F153 HydrophobicContact CG1-CE1 4.3Å; V123-F153 HydrophobicContact CG1-CG 4.07Å; V123-F153 HydrophobicContact CG2-CB 3.93Å; V124-F153 PolarHBondContact N-O 2.95Å; V124-F153 VanDerWaalsContact N-O 3.14Å; I151-F153 WeakPolarHBondContact CG2-O 3.14Å | ||
| 154 | I | 45.2 | Very low | 46.1 | Very low | 37 Ų | 37 | 55.7 Ų | 55.7 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 174.6 | -53.9 | 177.9 | 0 | 0 | 0 | 109.2 | V124 M148 I151 I156 | V124-I154 VanDerWaalsContact O-CA 3.31Å; V124-I154 WeakPolarHBondContact O-CA 3.36Å; M148-I154 HydrophobicContact CE-CD1 3.36Å; M148-I154 HydrophobicContact SD-CD1 3.69Å; I151-I154 HydrophobicContact CB-CD1 4.07Å; I151-I154 HydrophobicContact CB-CG1 4.1Å; I151-I154 HydrophobicContact CD1-CD1 4.08Å; I151-I154 HydrophobicContact CG2-CD1 3.96Å; I151-I154 HydrophobicContact CG2-CG1 3.44Å; I151-I154 VanDerWaalsContact CG2-CG1 3.44Å; I154-I156 HydrophobicContact CG2-CD1 4.16Å; I154-I156 HydrophobicContact CG2-CG1 3.81Å |
| 155 | Y | 46 | Very low | 45.7 | Very low | 32 Ų | 32 | 62 Ų | 62 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.3 | 166.7 | 175.7 | -91.2 | 0 | 0 | 0 | 110.2 | V124 V125 V126 C127 L192 | V124-Y155 PolarHBondContact O-N 2.78Å; V125-Y155 HydrophobicContact CG1-CD1 3.97Å; V125-Y155 HydrophobicContact CG1-CG 4.17Å; V126-Y155 PolarHBondContact N-O 3.36Å; V126-Y155 VanDerWaalsContact N-O 3.07Å; V126-Y155 VanDerWaalsContact O-O 3.07Å; C127-Y155 WeakPolarHBondContact SG-CD1 3.5Å; C127-Y155 WeakPolarHBondContact SG-CE1 3.27Å; Y155-L192 HydrophobicContact CD2-CD1 4.23Å; Y155-L192 HydrophobicContact CE2-CD1 3.88Å |
| 156 | I | 44.1 | Very low | 45.5 | Very low | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.8 | 178.2 | -65.4 | -177.4 | 0 | 0 | 0 | 107.6 | I154 F160 L164 | I154-I156 HydrophobicContact CG2-CD1 4.16Å; I154-I156 HydrophobicContact CG2-CG1 3.81Å; I156-F160 HydrophobicContact CD1-CD1 4.5Å; I156-F160 HydrophobicContact CG2-CB 3.59Å; I156-F160 HydrophobicContact CG2-CD1 3.3Å; I156-F160 HydrophobicContact CG2-CE1 4.25Å; I156-F160 HydrophobicContact CG2-CG 3.82Å; I156-L164 HydrophobicContact CD1-CD1 4.45Å |
| 157 | D | 41.6 | Very low | 45.1 | Very low | 49 Ų | 49 | 67.5 Ų | 67.5 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | trans | -56.4 | 143.8 | 175.4 | -165.5 | -18 | 0 | 0 | 0 | 111.9 | E159 F160 R161 | D157-E159 VanDerWaalsContact C-N 3.26Å; D157-E159 PolarHBondContact O-N 2.67Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 VanDerWaalsContact O-CB 3.29Å; D157-F160 WeakPolarHBondContact O-CB 3.47Å; D157-F160 PolarHBondContact O-N 3.33Å; D157-R161 PolarHBondContact O-N 3.1Å | ||
| 158 | Y | 36.5 | Very low | 44.6 | Very low | 153 Ų | 153 | 70 Ų | 70 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.4 | -39.1 | -178.5 | 176.8 | -94 | 0 | 0 | 0 | 112.7 | F160 R161 | Y158-F160 PolarHBondContact O-N 3.13Å; Y158-R161 PolarHBondContact O-N 3.14Å |
| 159 | E | 38.3 | Very low | 44.3 | Very low | 118 Ų | 118 | 75.4 Ų | 75.4 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.2 | -23.8 | 178 | -66.9 | -167.9 | 167.2 | 0 | 0 | 112.9 | Y129 D157 | Y129-E159 HydrophobicContact CD2-CB 4.21Å; Y129-E159 HydrophobicContact CE2-CB 4.37Å; D157-E159 VanDerWaalsContact C-N 3.26Å; D157-E159 PolarHBondContact O-N 2.67Å |
| 160 | F | 41 | Very low | 43.9 | Very low | 17 Ų | 17 | 72.7 Ų | 72.7 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -83.3 | -30.6 | 177.5 | -164.3 | -95.4 | 0 | 0 | 0 | 112.6 | F133 V134 F137 I156 D157 Y158 H162 S163 L164 | F133-F160 AromaticContact CD1-CE2 3.72Å; F133-F160 HydrophobicContact CD1-CE2 3.72Å; F133-F160 HydrophobicContact CD1-CZ 4.11Å; F133-F160 AromaticContact CE1-CE2 3.63Å; F133-F160 HydrophobicContact CE1-CE2 3.63Å; F133-F160 AromaticContact CE1-CZ 3.55Å; F133-F160 HydrophobicContact CE1-CZ 3.55Å; V134-F160 HydrophobicContact CB-CE2 4.38Å; V134-F160 HydrophobicContact CG2-CD2 3.73Å; V134-F160 HydrophobicContact CG2-CE2 3.67Å; F137-F160 HydrophobicContact CB-CZ 4.24Å; F137-F160 AromaticContact CD1-CE1 3.69Å; F137-F160 HydrophobicContact CD1-CE1 3.69Å; F137-F160 AromaticContact CD1-CZ 3.32Å; F137-F160 HydrophobicContact CD1-CZ 3.32Å; F137-F160 AromaticContact CE1-CE1 3.66Å; F137-F160 HydrophobicContact CE1-CE1 3.66Å; F137-F160 AromaticContact CE1-CZ 3.77Å; F137-F160 HydrophobicContact CE1-CZ 3.77Å; F137-F160 AromaticContact CG-CZ 3.89Å; F137-F160 HydrophobicContact CG-CZ 3.89Å; I156-F160 HydrophobicContact CD1-CD1 4.5Å; I156-F160 HydrophobicContact CG2-CB 3.59Å; I156-F160 HydrophobicContact CG2-CD1 3.3Å; I156-F160 HydrophobicContact CG2-CE1 4.25Å; I156-F160 HydrophobicContact CG2-CG 3.82Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 VanDerWaalsContact O-CB 3.29Å; D157-F160 WeakPolarHBondContact O-CB 3.47Å; D157-F160 PolarHBondContact O-N 3.33Å; Y158-F160 PolarHBondContact O-N 3.13Å; F160-H162 PolarHBondContact O-N 2.84Å; F160-S163 VanDerWaalsContact O-CB 3.27Å; F160-S163 WeakPolarHBondContact O-CB 3.48Å; F160-S163 PolarHBondContact O-N 3.24Å; F160-S163 VanDerWaalsContact O-N 3.1Å; F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 4.3Å; F160-L164 HydrophobicContact CE1-CD1 3.64Å; F160-L164 HydrophobicContact CE1-CG 4.23Å |
| 161 | R | 40.9 | Very low | 43.8 | Very low | 125 Ų | 125 | 75.6 Ų | 75.6 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | -179.8 | -162.7 | 174.9 | -172.5 | 174.5 | 3.5 | 112.3 | D157 Y158 S163 L164 K165 S185 | D157-R161 PolarHBondContact O-N 3.1Å; Y158-R161 PolarHBondContact O-N 3.14Å; R161-S163 PolarHBondContact O-N 2.82Å; R161-S163 VanDerWaalsContact O-N 3.15Å; R161-L164 PolarHBondContact O-N 3.45Å; R161-K165 PolarHBondContact O-N 3.2Å; R161-S185 PolarHBondContact NH1-OG 3.21Å |
| 162 | H | 42.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 77.2 Ų | 77.2 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.9 | 176.6 | -131.7 | -73 | 0 | 0 | 0 | 112.8 | F160 K165 | F160-H162 PolarHBondContact O-N 2.84Å; H162-K165 PolarHBondContact CE1-NZ 3.44Å; H162-K165 VanDerWaalsContact CE1-NZ 3.29Å; H162-K165 PolarHBondContact NE2-NZ 3.28Å |
| 163 | S | 47.1 | Very low | 43.2 | Very low | 29 Ų | 29 | 80.5 Ų | 80.5 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.5 | 175.7 | -75.5 | 0 | 0 | 0 | 0 | 114.7 | R138 F160 R161 | R138-S163 PolarHBondContact NE-O 3.35Å; R138-S163 PolarHBondContact NH2-OG 3.23Å; F160-S163 VanDerWaalsContact O-CB 3.27Å; F160-S163 WeakPolarHBondContact O-CB 3.48Å; F160-S163 PolarHBondContact O-N 3.24Å; F160-S163 VanDerWaalsContact O-N 3.1Å; R161-S163 PolarHBondContact O-N 2.82Å; R161-S163 VanDerWaalsContact O-N 3.15Å |
| 164 | L | 45.6 | Very low | 43 | Very low | 29 Ų | 29 | 84.8 Ų | 84.8 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -111.8 | 2.8 | -178.9 | -70 | 171.9 | 0 | 0 | 0 | 113.1 | F137 I156 F160 R161 D166 K167 | F137-L164 HydrophobicContact CD1-CD2 4.41Å; F137-L164 HydrophobicContact CE1-CD2 4.38Å; I156-L164 HydrophobicContact CD1-CD1 4.45Å; F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 4.3Å; F160-L164 HydrophobicContact CE1-CD1 3.64Å; F160-L164 HydrophobicContact CE1-CG 4.23Å; R161-L164 PolarHBondContact O-N 3.45Å; L164-D166 PolarHBondContact O-N 3.1Å; L164-K167 PolarHBondContact O-N 3.3Å |
| 165 | K | 45.4 | Very low | 42.8 | Very low | 139 Ų | 139 | 88.8 Ų | 88.8 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -20.6 | -171.6 | -112.1 | 179.7 | 174.1 | 176.4 | 0 | 115.4 | R161 H162 | R161-K165 PolarHBondContact O-N 3.2Å; H162-K165 PolarHBondContact CE1-NZ 3.44Å; H162-K165 VanDerWaalsContact CE1-NZ 3.29Å; H162-K165 PolarHBondContact NE2-NZ 3.28Å |
| 166 | D | 49.8 | Very low | 42.3 | Very low | 162 Ų | 162 | 93.5 Ų | 93.5 | 87% | 0.866 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 3.2 | -179.7 | -53.3 | -37.8 | 0 | 0 | 0 | 114.2 | L164 | L164-D166 PolarHBondContact O-N 3.1Š|
| 167 | K | 46.8 | Very low | 41.7 | Very low | 84 Ų | 84 | 98.7 Ų | 98.7 | 37% | 0.365 | 47% | 0.467 | S | S | . | . | trans | -124.9 | 61.4 | 177.2 | -73.2 | -165.7 | 175.3 | -172.1 | 0 | 109 | R138 V141 L164 F170 | R138-K167 PolarHBondContact O-NZ 3.45Å; V141-K167 HydrophobicContact CG1-CD 4.06Å; L164-K167 PolarHBondContact O-N 3.3Å; K167-F170 HydrophobicContact CB-CD2 4.34Å; K167-F170 HydrophobicContact CB-CE2 3.99Å; K167-F170 VanDerWaalsContact O-CD2 3.23Å; K167-F170 WeakPolarHBondContact O-CD2 3.2Å | ||
| 168 | A | 40.9 | Very low | 41.2 | Very low | 59 Ų | 59 | 102.3 Ų | 102.3 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -77.1 | -15.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F170 | A168-F170 PolarHBondContact O-N 3.37Š|
| 169 | N | 45.9 | Very low | 40.9 | Very low | 134 Ų | 134 | 95.7 Ų | 95.7 | 72% | 0.717 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -75.5 | 11.1 | -171.2 | -64 | 5.5 | 0 | 0 | 0 | 115.7 | ||
| 170 | F | 44.1 | Very low | 40.4 | Very low | 24 Ų | 24 | 95.6 Ų | 95.6 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -88.7 | -6.4 | -174.2 | -74.3 | -90.3 | 0 | 0 | 0 | 114.8 | V141 E145 M148 K167 A168 | V141-F170 HydrophobicContact CB-CZ 4.45Å; V141-F170 HydrophobicContact CG1-CD1 4.4Å; V141-F170 HydrophobicContact CG1-CD2 4.28Å; V141-F170 HydrophobicContact CG1-CE1 3.59Å; V141-F170 HydrophobicContact CG1-CE2 3.48Å; V141-F170 VanDerWaalsContact CG1-CE2 3.48Å; V141-F170 HydrophobicContact CG1-CZ 3.09Å; V141-F170 WeakPolarHBondContact O-CE1 3.31Å; E145-F170 HydrophobicContact CB-CE1 3.79Å; E145-F170 HydrophobicContact CB-CZ 4.33Å; E145-F170 HydrophobicContact CG-CD1 4.45Å; E145-F170 HydrophobicContact CG-CE1 3.96Å; E145-F170 HydrophobicContact CG-CZ 4.39Å; M148-F170 HydrophobicContact CB-CD1 3.82Å; M148-F170 HydrophobicContact CG-CD1 3.89Å; M148-F170 HydrophobicContact CG-CE1 4.39Å; K167-F170 HydrophobicContact CB-CD2 4.34Å; K167-F170 HydrophobicContact CB-CE2 3.99Å; K167-F170 VanDerWaalsContact O-CD2 3.23Å; K167-F170 WeakPolarHBondContact O-CD2 3.2Å; A168-F170 PolarHBondContact O-N 3.37Å |
| 171 | F | 46.1 | Very low | 39.8 | Very low | 91 Ų | 91 | 102.9 Ų | 102.9 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -106.5 | 130.2 | -179.2 | -60.5 | -77.5 | 0 | 0 | 0 | 110 | E173 | F171-E173 PolarHBondContact O-N 2.92Š|
| 172 | P | 39.6 | Very low | 39.5 | Very low | 42 Ų | 42 | 104.1 Ų | 104.1 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | trans | -60.3 | 135 | 179.9 | -20.4 | 29.1 | 0 | 0 | 0 | 111.9 | K174 Y175 | P172-K174 PolarHBondContact O-N 3.18Å; P172-Y175 HydrophobicContact CB-CD2 3.84Å; P172-Y175 HydrophobicContact CB-CE2 4.11Å; P172-Y175 HydrophobicContact CG-CD2 3.89Å; P172-Y175 HydrophobicContact CG-CE2 3.9Å; P172-Y175 PolarHBondContact O-N 2.84Å | ||
| 173 | E | 38.5 | Very low | 38.7 | Very low | 140 Ų | 140 | 104 Ų | 104 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -52.3 | -27.9 | -179.2 | -71.6 | -179.4 | 164.1 | 0 | 0 | 113.9 | F171 Y175 E176 Q177 | F171-E173 PolarHBondContact O-N 2.92Å; E173-Y175 PolarHBondContact O-N 3.35Å; E173-E176 CarbonylContact O-C 3.56Å; E173-E176 WeakPolarHBondContact O-CA 3.26Å; E173-E176 WeakPolarHBondContact O-CB 3.42Å; E173-E176 PolarHBondContact O-N 3.45Å; E173-Q177 WeakPolarHBondContact O-CG 3.32Å; E173-Q177 PolarHBondContact O-N 2.99Å |
| 174 | K | 37.6 | Very low | 37.9 | Very low | 167 Ų | 167 | 109 Ų | 109 | 73% | 0.726 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -56.4 | -30 | 174 | -74.6 | -175.2 | 176.7 | -178.5 | 0 | 113.1 | P172 | P172-K174 PolarHBondContact O-N 3.18Å |
| 175 | Y | 39.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 111 Ų | 111 | 48% | 0.475 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -85.5 | -22.4 | 175.8 | -61.9 | -76.4 | 0 | 0 | 0 | 112.7 | N152 P172 E173 | N152-Y175 PolarHBondContact O-OH 3.2Å; P172-Y175 HydrophobicContact CB-CD2 3.84Å; P172-Y175 HydrophobicContact CB-CE2 4.11Å; P172-Y175 HydrophobicContact CG-CD2 3.89Å; P172-Y175 HydrophobicContact CG-CE2 3.9Å; P172-Y175 PolarHBondContact O-N 2.84Å; E173-Y175 PolarHBondContact O-N 3.35Å |
| 176 | E | 35.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 106.6 Ų | 106.6 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.9 | -35.3 | 168.8 | -79.2 | -170.9 | 147.9 | 0 | 0 | 112 | E173 M178 G179 | E173-E176 CarbonylContact O-C 3.56Å; E173-E176 WeakPolarHBondContact O-CA 3.26Å; E173-E176 WeakPolarHBondContact O-CB 3.42Å; E173-E176 PolarHBondContact O-N 3.45Å; E176-M178 VanDerWaalsContact C-N 3.33Å; E176-M178 PolarHBondContact O-N 2.87Å; E176-G179 WeakPolarHBondContact O-CA 3.49Å; E176-G179 PolarHBondContact O-N 3.26Å |
| 177 | Q | 32.4 | Very low | 35.8 | Very low | 147 Ų | 147 | 101.7 Ų | 101.7 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -28.1 | 177.8 | -73.3 | -178.6 | 1.2 | 0 | 0 | 113.3 | E173 G179 P180 | E173-Q177 WeakPolarHBondContact O-CG 3.32Å; E173-Q177 PolarHBondContact O-N 2.99Å; Q177-G179 PolarHBondContact O-N 2.95Å; Q177-P180 WeakPolarHBondContact O-CD 3.34Å |
| 178 | M | 31.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 102.4 Ų | 102.4 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.2 | 165.9 | -71.1 | -177 | 172.6 | 0 | 0 | 112.5 | E176 | E176-M178 VanDerWaalsContact C-N 3.33Å; E176-M178 PolarHBondContact O-N 2.87Å |
| 179 | G | 29.9 | Very low | 34.9 | Very low | 13 Ų | 13 | 101.9 Ų | 101.9 | 13% | 0.134 | 51% | 0.512 | C | S | . | . | trans | -82.5 | -18.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | E176 Q177 E181 Y182 V183 | E176-G179 WeakPolarHBondContact O-CA 3.49Å; E176-G179 PolarHBondContact O-N 3.26Å; Q177-G179 PolarHBondContact O-N 2.95Å; G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.35Å; G179-Y182 CarbonylContact O-C 3.6Å; G179-Y182 PolarHBondContact O-N 2.97Å; G179-V183 WeakPolarHBondContact O-CG2 3.17Å; G179-V183 PolarHBondContact O-N 3.5Å | ||
| 180 | P | 27.9 | Very low | 34.1 | Very low | 117 Ų | 117 | 101.4 Ų | 101.4 | 76% | 0.76 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.6 | -175 | 22.3 | -27.2 | 0 | 0 | 0 | 113.1 | Q177 | Q177-P180 WeakPolarHBondContact O-CD 3.34Š|
| 181 | E | 27.7 | Very low | 33.6 | Very low | 169 Ų | 169 | 101.9 Ų | 101.9 | 79% | 0.79 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -15.9 | 169.6 | -68.4 | -173.3 | 170 | 0 | 0 | 113.3 | G179 | G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.35Å |
| 182 | Y | 34.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 100.3 Ų | 100.3 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 24.1 | -169.4 | -78.8 | -86.7 | 0 | 0 | 0 | 115.5 | G179 H184 | G179-Y182 CarbonylContact O-C 3.6Å; G179-Y182 PolarHBondContact O-N 2.97Å; Y182-H184 PolarHBondContact O-N 2.88Å |
| 183 | V | 27.4 | Very low | 32.8 | Very low | 108 Ų | 108 | 105.3 Ų | 105.3 | 66% | 0.655 | 52% | 0.515 | S | S | * | . | trans | -55.9 | -14.6 | 170.1 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | G179 S185 | G179-V183 WeakPolarHBondContact O-CG2 3.17Å; G179-V183 PolarHBondContact O-N 3.5Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.31Å | ||
| 184 | H | 29.2 | Very low | 32.6 | Very low | 134 Ų | 134 | 99.5 Ų | 99.5 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | trans | -80.9 | 69.5 | 176 | -61.7 | -58.5 | 0 | 0 | 0 | 113.7 | Y182 S186 T187 | Y182-H184 PolarHBondContact O-N 2.88Å; H184-S186 PolarHBondContact O-N 3.08Å; H184-T187 PolarHBondContact O-OG1 3.31Å | ||
| 185 | S | 33.2 | Very low | 32.5 | Very low | 71 Ų | 71 | 92.3 Ų | 92.3 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 29.1 | 173.1 | 57.5 | 0 | 0 | 0 | 0 | 117.2 | R161 V183 | R161-S185 PolarHBondContact NH1-OG 3.21Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.31Å |
| 186 | S | 32.9 | Very low | 32.3 | Very low | 45 Ų | 45 | 91.8 Ų | 91.8 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -15.4 | 179 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | H184 | H184-S186 PolarHBondContact O-N 3.08Š|
| 187 | T | 31.7 | Very low | 32.4 | Very low | 60 Ų | 60 | 88.3 Ų | 88.3 | 37% | 0.368 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | -174.5 | 20 | 0 | 0 | 0 | 0 | 113.9 | H184 V189 F190 Q191 | H184-T187 PolarHBondContact O-OG1 3.31Å; T187-V189 VanDerWaalsContact C-N 3.33Å; T187-V189 PolarHBondContact O-N 3.5Å; T187-F190 PolarHBondContact O-N 2.83Å; T187-F190 VanDerWaalsContact O-N 3.12Å; T187-Q191 PolarHBondContact O-N 3.44Å |
| 188 | Q | 34.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 83.2 Ų | 83.2 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -32.5 | -177.5 | -67.2 | 178.7 | -9.6 | 0 | 0 | 113.4 | ||
| 189 | V | 32.6 | Very low | 32.7 | Very low | 48 Ų | 48 | 80.6 Ų | 80.6 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.9 | -35.7 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | T187 R193 | T187-V189 VanDerWaalsContact C-N 3.33Å; T187-V189 PolarHBondContact O-N 3.5Å; V189-R193 WeakPolarHBondContact O-CB 3.11Å; V189-R193 PolarHBondContact O-N 3.02Å; V189-R193 VanDerWaalsContact O-N 3.08Å |
| 190 | F | 30.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 84.8 Ų | 84.8 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.6 | -30.7 | 176.9 | -96.5 | -82 | 0 | 0 | 0 | 113.2 | T187 L192 R193 A194 | T187-F190 PolarHBondContact O-N 2.83Å; T187-F190 VanDerWaalsContact O-N 3.12Å; F190-L192 VanDerWaalsContact C-N 3.3Å; F190-L192 PolarHBondContact O-N 3.25Å; F190-R193 CarbonylContact O-C 3.53Å; F190-R193 PolarHBondContact O-N 2.83Å; F190-A194 WeakPolarHBondContact O-CB 3.35Å; F190-A194 PolarHBondContact O-N 3.44Å |
| 191 | Q | 34.1 | Very low | 33.8 | Very low | 34 Ų | 34 | 86.4 Ų | 86.4 | 16% | 0.159 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 173.8 | -75.2 | 172.9 | -8.3 | 0 | 0 | 112.6 | T187 L195 E244 | T187-Q191 PolarHBondContact O-N 3.44Å; Q191-L195 PolarHBondContact O-N 3.44Å; Q191-E244 WeakPolarHBondContact CG-OE1 3.45Å |
| 192 | L | 35.1 | Very low | 34.3 | Very low | 58 Ų | 58 | 79.9 Ų | 79.9 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.9 | -28.1 | 176.2 | -75.5 | 164.9 | 0 | 0 | 0 | 113 | Y155 F190 L195 Y196 | Y155-L192 HydrophobicContact CD2-CD1 4.23Å; Y155-L192 HydrophobicContact CE2-CD1 3.88Å; F190-L192 VanDerWaalsContact C-N 3.3Å; F190-L192 PolarHBondContact O-N 3.25Å; L192-L195 HydrophobicContact CD2-CD1 3.84Å; L192-L195 VanDerWaalsContact O-CB 3.24Å; L192-L195 WeakPolarHBondContact O-CB 3.28Å; L192-L195 PolarHBondContact O-N 3.5Å; L192-Y196 PolarHBondContact O-N 3.37Å; L192-Y196 VanDerWaalsContact O-N 3.12Å |
| 193 | R | 33.6 | Very low | 34.4 | Very low | 147 Ų | 147 | 74.7 Ų | 74.7 | 56% | 0.555 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -76 | -32.2 | 174.5 | -161.1 | 169.8 | -172.2 | 162.7 | 2.5 | 112.6 | V189 F190 L195 Y196 D197 | V189-R193 WeakPolarHBondContact O-CB 3.11Å; V189-R193 PolarHBondContact O-N 3.02Å; V189-R193 VanDerWaalsContact O-N 3.08Å; F190-R193 CarbonylContact O-C 3.53Å; F190-R193 PolarHBondContact O-N 2.83Å; R193-L195 VanDerWaalsContact C-N 3.32Å; R193-Y196 CarbonylContact O-C 3.52Å; R193-Y196 WeakPolarHBondContact O-CB 3.39Å; R193-Y196 PolarHBondContact O-N 3.22Å; R193-Y196 VanDerWaalsContact O-N 3.17Å; R193-D197 WeakPolarHBondContact O-CB 3.37Å; R193-D197 PolarHBondContact O-N 2.95Å |
| 194 | A | 33.6 | Very low | 35 | Very low | 19 Ų | 19 | 74.6 Ų | 74.6 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F190 Y196 D197 C198 | F190-A194 WeakPolarHBondContact O-CB 3.35Å; F190-A194 PolarHBondContact O-N 3.44Å; A194-Y196 VanDerWaalsContact C-N 3.31Å; A194-Y196 PolarHBondContact O-N 2.91Å; A194-D197 CarbonylContact O-C 3.46Å; A194-D197 PolarHBondContact O-N 3.46Å; A194-C198 PolarHBondContact O-N 3Å; A194-C198 PolarHBondContact O-SG 3.31Å |
| 195 | L | 35 | Very low | 35.3 | Very low | 15 Ų | 15 | 75.1 Ų | 75.1 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56 | -43.1 | 168.1 | -97.3 | 163.7 | 0 | 0 | 0 | 113.1 | Y48 L52 Q191 L192 R193 | Y48-L195 HydrophobicContact CD1-CD1 3.67Å; Y48-L195 HydrophobicContact CD1-CD2 3.47Å; Y48-L195 VanDerWaalsContact CD1-CD2 3.47Å; Y48-L195 HydrophobicContact CD1-CG 3.24Å; Y48-L195 HydrophobicContact CE1-CD1 3.83Å; Y48-L195 HydrophobicContact CE1-CD2 4.31Å; Y48-L195 HydrophobicContact CE1-CG 3.56Å; Y48-L195 HydrophobicContact CG-CD2 4.03Å; Y48-L195 HydrophobicContact CG-CG 4.16Å; L52-L195 HydrophobicContact CD1-CD1 3.45Å; L52-L195 VanDerWaalsContact CD1-CD1 3.45Å; Q191-L195 PolarHBondContact O-N 3.44Å; L192-L195 HydrophobicContact CD2-CD1 3.84Å; L192-L195 VanDerWaalsContact O-CB 3.24Å; L192-L195 WeakPolarHBondContact O-CB 3.28Å; L192-L195 PolarHBondContact O-N 3.5Å; R193-L195 VanDerWaalsContact C-N 3.32Å |
| 196 | Y | 37.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 73.6 Ų | 73.6 | 43% | 0.431 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.2 | -175.2 | -91.9 | 0 | 0 | 0 | 111.9 | W78 L192 R193 A194 C198 | W78-Y196 HydrophobicContact CD2-CD2 4.29Å; W78-Y196 HydrophobicContact CD2-CE2 4.5Å; W78-Y196 AromaticContact CE2-CD2 3.78Å; W78-Y196 HydrophobicContact CG-CE2 4.47Å; W78-Y196 HydrophobicContact CZ2-CD2 4.03Å; W78-Y196 AromaticContact NE1-CD2 3.79Å; L192-Y196 PolarHBondContact O-N 3.37Å; L192-Y196 VanDerWaalsContact O-N 3.12Å; R193-Y196 CarbonylContact O-C 3.52Å; R193-Y196 WeakPolarHBondContact O-CB 3.39Å; R193-Y196 PolarHBondContact O-N 3.22Å; R193-Y196 VanDerWaalsContact O-N 3.17Å; A194-Y196 VanDerWaalsContact C-N 3.31Å; A194-Y196 PolarHBondContact O-N 2.91Å; Y196-C198 VanDerWaalsContact C-N 3.33Å; Y196-C198 PolarHBondContact O-N 3.2Å |
| 197 | D | 36.1 | Very low | 36.2 | Very low | 60 Ų | 60 | 72.7 Ų | 72.7 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -84.1 | 2.9 | -178 | -76.5 | -5.4 | 0 | 0 | 0 | 113.9 | R193 A194 S199 | R193-D197 WeakPolarHBondContact O-CB 3.37Å; R193-D197 PolarHBondContact O-N 2.95Å; A194-D197 CarbonylContact O-C 3.46Å; A194-D197 PolarHBondContact O-N 3.46Å; D197-S199 PolarHBondContact O-N 2.94Å |
| 198 | C | 35.2 | Very low | 36.9 | Very low | 39 Ų | 39 | 72.1 Ų | 72.1 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | trans | -66.8 | 33.2 | 167.4 | -72 | 0 | 0 | 0 | 0 | 112.7 | A194 Y196 K200 | A194-C198 PolarHBondContact O-N 3Å; A194-C198 PolarHBondContact O-SG 3.31Å; Y196-C198 VanDerWaalsContact C-N 3.33Å; Y196-C198 PolarHBondContact O-N 3.2Å; C198-K200 PolarHBondContact O-N 3.11Å | ||
| 199 | S | 36.4 | Very low | 37.5 | Very low | 72 Ų | 72 | 69.2 Ų | 69.2 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | trans | -69.1 | 89.4 | 176.6 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | D197 D201 | D197-S199 PolarHBondContact O-N 2.94Å; S199-D201 PolarHBondContact O-N 2.82Å | ||
| 200 | K | 42.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 68.2 Ų | 68.2 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 56.1 | -38.7 | 156.4 | -73.2 | -176.9 | 171.1 | 178 | 0 | 120.5 | L39 C198 V202 A203 | L39-K200 HydrophobicContact CD2-CD 4.46Å; L39-K200 VanDerWaalsContact CD2-NZ 3.3Å; C198-K200 PolarHBondContact O-N 3.11Å; K200-V202 PolarHBondContact O-N 2.91Å; K200-A203 PolarHBondContact O-N 3.06Å |
| 201 | D | 37.9 | Very low | 39 | Very low | 152 Ų | 152 | 63.6 Ų | 63.6 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.5 | -176.4 | -69.1 | -17.6 | 0 | 0 | 0 | 112.6 | S199 | S199-D201 PolarHBondContact O-N 2.82Š|
| 202 | V | 37.3 | Very low | 39.7 | Very low | 32 Ų | 32 | 67.9 Ų | 67.9 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.2 | -177.2 | -169.5 | 0 | 0 | 0 | 0 | 113 | K200 E204 F207 F247 | K200-V202 PolarHBondContact O-N 2.91Å; V202-E204 PolarHBondContact O-N 3.35Å; V202-F207 HydrophobicContact CG1-CD1 4.31Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CG 4.17Å; V202-F247 HydrophobicContact CB-CE2 4.13Å; V202-F247 HydrophobicContact CG1-CD2 3.84Å; V202-F247 HydrophobicContact CG1-CE2 3.89Å; V202-F247 HydrophobicContact CG2-CD2 4.4Å; V202-F247 HydrophobicContact CG2-CE2 3.74Å; V202-F247 HydrophobicContact CG2-CZ 4.38Å |
| 203 | A | 36.5 | Very low | 40.4 | Very low | 43 Ų | 43 | 72.2 Ų | 72.2 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | trans | -78.5 | 29.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P44 K200 | P44-A203 HydrophobicContact CG-CB 3.85Å; K200-A203 PolarHBondContact O-N 3.06Å | ||
| 204 | E | 40.2 | Very low | 41.1 | Very low | 105 Ų | 105 | 66.2 Ų | 66.2 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | trans | -72.8 | 138.8 | 168.1 | -70.9 | -173.1 | 161.8 | 0 | 0 | 109.5 | V202 P206 F207 | V202-E204 PolarHBondContact O-N 3.35Å; E204-P206 VanDerWaalsContact O-CD 3.29Å; E204-P206 WeakPolarHBondContact O-CD 3.35Å; E204-F207 PolarHBondContact O-N 3.37Å | ||
| 205 | I | 35.5 | Very low | 41.7 | Very low | 145 Ų | 145 | 68 Ų | 68 | 74% | 0.744 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -40.9 | -37.1 | -179.4 | -63.7 | 166.7 | 0 | 0 | 0 | 114.5 | F207 I208 S209 | I205-F207 VanDerWaalsContact C-N 3.35Å; I205-F207 PolarHBondContact O-N 3.23Å; I205-I208 PolarHBondContact O-N 2.78Å; I205-S209 PolarHBondContact O-N 3.05Å |
| 206 | P | 42.3 | Very low | 42.6 | Very low | 40 Ų | 40 | 70.8 Ų | 70.8 | 26% | 0.26 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | 178.9 | -23.3 | 35.2 | 0 | 0 | 0 | 114.2 | E204 S209 V210 | E204-P206 VanDerWaalsContact O-CD 3.29Å; E204-P206 WeakPolarHBondContact O-CD 3.35Å; P206-S209 PolarHBondContact O-N 3.39Å; P206-V210 VanDerWaalsContact O-CG2 3.26Å; P206-V210 WeakPolarHBondContact O-CG2 3.42Å; P206-V210 PolarHBondContact O-N 2.95Å |
| 207 | F | 44.1 | Very low | 43.2 | Very low | 26 Ų | 26 | 69.8 Ų | 69.8 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 178.9 | -178.7 | -104.2 | 0 | 0 | 0 | 111.3 | V202 E204 I205 S209 V210 C211 F247 | V202-F207 HydrophobicContact CG1-CD1 4.31Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CG 4.17Å; E204-F207 PolarHBondContact O-N 3.37Å; I205-F207 VanDerWaalsContact C-N 3.35Å; I205-F207 PolarHBondContact O-N 3.23Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.35Å; F207-V210 PolarHBondContact O-N 3.09Å; F207-C211 PolarHBondContact O-N 3.45Å; F207-C211 PolarHBondContact O-SG 2.63Å; F207-C211 VanDerWaalsContact O-SG 3.39Å; F207-F247 HydrophobicContact CE2-CB 4.46Å; F207-F247 HydrophobicContact CZ-CD2 4.47Å |
| 208 | I | 45.2 | Very low | 43.7 | Very low | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.7 | -60.5 | 174.8 | 0 | 0 | 0 | 110.2 | I205 V210 C211 Q212 | I205-I208 PolarHBondContact O-N 2.78Å; I208-V210 PolarHBondContact O-N 2.85Å; I208-C211 PolarHBondContact O-N 2.82Å; I208-Q212 HydrophobicContact CG2-CG 4.4Å; I208-Q212 WeakPolarHBondContact O-CB 3.38Å; I208-Q212 VanDerWaalsContact O-CG 3.32Å; I208-Q212 WeakPolarHBondContact O-CG 3.41Å; I208-Q212 PolarHBondContact O-N 3.46Å |
| 209 | S | 46.5 | Very low | 44.3 | Very low | 38 Ų | 38 | 71.9 Ų | 71.9 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | I205 P206 F207 Q212 R213 | I205-S209 PolarHBondContact O-N 3.05Å; P206-S209 PolarHBondContact O-N 3.39Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.35Å; S209-Q212 PolarHBondContact O-N 3.36Å; S209-R213 WeakPolarHBondContact O-CG 3.46Å; S209-R213 PolarHBondContact O-N 3.09Å |
| 210 | V | 47.9 | Very low | 45 | Very low | 27 Ų | 27 | 75.6 Ų | 75.6 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | P206 F207 I208 Q212 R213 L214 I276 | P206-V210 VanDerWaalsContact O-CG2 3.26Å; P206-V210 WeakPolarHBondContact O-CG2 3.42Å; P206-V210 PolarHBondContact O-N 2.95Å; F207-V210 PolarHBondContact O-N 3.09Å; I208-V210 PolarHBondContact O-N 2.85Å; V210-Q212 VanDerWaalsContact C-N 3.32Å; V210-Q212 PolarHBondContact O-N 2.98Å; V210-R213 PolarHBondContact O-N 3.39Å; V210-L214 HydrophobicContact CG1-CD1 3.85Å; V210-L214 HydrophobicContact CG1-CG 4.34Å; V210-L214 WeakPolarHBondContact O-CB 3.48Å; V210-L214 VanDerWaalsContact O-CG 3.25Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 2.79Å; V210-I276 HydrophobicContact CG1-CD1 4.16Å |
| 211 | C | 47 | Very low | 45.2 | Very low | 25 Ų | 25 | 75.6 Ų | 75.6 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 112 | F207 I208 L214 V215 | F207-C211 PolarHBondContact O-N 3.45Å; F207-C211 PolarHBondContact O-SG 2.63Å; F207-C211 VanDerWaalsContact O-SG 3.39Å; I208-C211 PolarHBondContact O-N 2.82Å; C211-L214 PolarHBondContact O-N 2.79Å; C211-V215 VanDerWaalsContact O-CG2 3.28Å; C211-V215 WeakPolarHBondContact O-CG2 3.35Å; C211-V215 PolarHBondContact O-N 2.89Å |
| 212 | Q | 48.8 | Very low | 45.7 | Very low | 124 Ų | 124 | 71 Ų | 71 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -76.7 | 176.3 | -14.3 | 0 | 0 | 112.5 | I208 S209 V210 V215 T216 | I208-Q212 HydrophobicContact CG2-CG 4.4Å; I208-Q212 WeakPolarHBondContact O-CB 3.38Å; I208-Q212 VanDerWaalsContact O-CG 3.32Å; I208-Q212 WeakPolarHBondContact O-CG 3.41Å; I208-Q212 PolarHBondContact O-N 3.46Å; S209-Q212 PolarHBondContact O-N 3.36Å; V210-Q212 VanDerWaalsContact C-N 3.32Å; V210-Q212 PolarHBondContact O-N 2.98Å; Q212-V215 PolarHBondContact O-N 2.87Å; Q212-T216 PolarHBondContact O-N 2.82Å; Q212-T216 PolarHBondContact O-OG1 3.4Å |
| 213 | R | 49.4 | Very low | 46.1 | Very low | 149 Ų | 149 | 76.8 Ų | 76.8 | 56% | 0.562 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 175.2 | -74.8 | -176.5 | -153.3 | -169.6 | 5.9 | 111.9 | S209 V210 V215 T216 I217 | S209-R213 WeakPolarHBondContact O-CG 3.46Å; S209-R213 PolarHBondContact O-N 3.09Å; V210-R213 PolarHBondContact O-N 3.39Å; R213-V215 VanDerWaalsContact C-N 3.33Å; R213-V215 PolarHBondContact O-N 3.32Å; R213-T216 WeakPolarHBondContact CA-OG1 3.24Å; R213-T216 PolarHBondContact O-N 2.92Å; R213-T216 PolarHBondContact O-OG1 3.18Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.44Å; R213-I217 PolarHBondContact O-N 2.8Å |
| 214 | L | 48.2 | Very low | 46.3 | Very low | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.7 | -71.9 | 172.3 | 0 | 0 | 0 | 111.5 | V210 C211 I217 A218 L239 | V210-L214 HydrophobicContact CG1-CD1 3.85Å; V210-L214 HydrophobicContact CG1-CG 4.34Å; V210-L214 WeakPolarHBondContact O-CB 3.48Å; V210-L214 VanDerWaalsContact O-CG 3.25Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 2.79Å; C211-L214 PolarHBondContact O-N 2.79Å; L214-I217 PolarHBondContact O-N 3.33Å; L214-A218 WeakPolarHBondContact O-CB 3.25Å; L214-A218 PolarHBondContact O-N 2.9Å; L214-L239 HydrophobicContact CB-CD2 4.01Å; L214-L239 HydrophobicContact CD2-CD2 3.78Å; L214-L239 HydrophobicContact CG-CD2 4.43Å |
| 215 | V | 47.2 | Very low | 46 | Very low | 58 Ų | 58 | 83.8 Ų | 83.8 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L51 C211 Q212 R213 I217 A218 E219 | L51-V215 HydrophobicContact CD1-CG2 4.47Å; C211-V215 VanDerWaalsContact O-CG2 3.28Å; C211-V215 WeakPolarHBondContact O-CG2 3.35Å; C211-V215 PolarHBondContact O-N 2.89Å; Q212-V215 PolarHBondContact O-N 2.87Å; R213-V215 VanDerWaalsContact C-N 3.33Å; R213-V215 PolarHBondContact O-N 3.32Å; V215-I217 PolarHBondContact O-N 2.72Å; V215-A218 WeakPolarHBondContact O-CB 3.13Å; V215-A218 PolarHBondContact O-N 3.33Å; V215-E219 HydrophobicContact CG1-CG 4.42Å; V215-E219 WeakPolarHBondContact O-CG 3.48Å; V215-E219 PolarHBondContact O-N 3.27Å |
| 216 | T | 52.7 | Low | 46.6 | Very low | 72 Ų | 72 | 85.7 Ų | 85.7 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 178.6 | 5.6 | 0 | 0 | 0 | 0 | 112.7 | Q212 R213 E219 K220 | Q212-T216 PolarHBondContact O-N 2.82Å; Q212-T216 PolarHBondContact O-OG1 3.4Å; R213-T216 WeakPolarHBondContact CA-OG1 3.24Å; R213-T216 PolarHBondContact O-N 2.92Å; R213-T216 PolarHBondContact O-OG1 3.18Å; T216-E219 PolarHBondContact O-N 3.43Å; T216-K220 WeakPolarHBondContact O-CB 3.17Å; T216-K220 PolarHBondContact O-N 2.89Å |
| 217 | I | 50 | Low | 46.2 | Very low | 89 Ų | 89 | 92.7 Ų | 92.7 | 46% | 0.456 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 172.9 | -67.8 | 164.4 | 0 | 0 | 0 | 109.8 | R213 L214 V215 E219 K220 M221 | R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.44Å; R213-I217 PolarHBondContact O-N 2.8Å; L214-I217 PolarHBondContact O-N 3.33Å; V215-I217 PolarHBondContact O-N 2.72Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 2.94Å; I217-K220 PolarHBondContact O-N 3.49Å; I217-M221 HydrophobicContact CG2-CG 4.39Å; I217-M221 HydrophobicContact CG2-SD 4.15Å; I217-M221 WeakPolarHBondContact O-CB 3.37Å; I217-M221 VanDerWaalsContact O-CG 3.3Å; I217-M221 WeakPolarHBondContact O-CG 3.2Å; I217-M221 PolarHBondContact O-N 3.48Å |
| 218 | A | 47.7 | Very low | 46 | Very low | 28 Ų | 28 | 97.6 Ų | 97.6 | 23% | 0.231 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L214 V215 M221 A222 L239 | L214-A218 WeakPolarHBondContact O-CB 3.25Å; L214-A218 PolarHBondContact O-N 2.9Å; V215-A218 WeakPolarHBondContact O-CB 3.13Å; V215-A218 PolarHBondContact O-N 3.33Å; A218-M221 PolarHBondContact O-N 3.48Å; A218-A222 WeakPolarHBondContact O-CB 3.19Å; A218-A222 PolarHBondContact O-N 2.81Å; A218-L239 HydrophobicContact CB-CD1 3.35Å |
| 219 | E | 47.9 | Very low | 45.8 | Very low | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 176.3 | -72.9 | 174.3 | 165.4 | 0 | 0 | 111.4 | V215 T216 I217 M221 A222 E223 | V215-E219 HydrophobicContact CG1-CG 4.42Å; V215-E219 WeakPolarHBondContact O-CG 3.48Å; V215-E219 PolarHBondContact O-N 3.27Å; T216-E219 PolarHBondContact O-N 3.43Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 2.94Å; E219-M221 PolarHBondContact O-N 3.47Å; E219-A222 WeakPolarHBondContact O-CA 3.28Å; E219-A222 WeakPolarHBondContact O-CB 3.4Å; E219-A222 PolarHBondContact O-N 2.86Å; E219-E223 PolarHBondContact O-N 2.87Å; E219-E223 VanDerWaalsContact O-N 3.11Å |
| 220 | K | 51.4 | Low | 45.6 | Very low | 150 Ų | 150 | 107.5 Ų | 107.5 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 173.9 | -84.8 | -176.9 | 174.2 | -179.3 | 0 | 113.1 | T216 I217 A222 E223 T224 | T216-K220 WeakPolarHBondContact O-CB 3.17Å; T216-K220 PolarHBondContact O-N 2.89Å; I217-K220 PolarHBondContact O-N 3.49Å; K220-A222 PolarHBondContact O-N 3.48Å; K220-E223 PolarHBondContact O-N 2.9Å; K220-T224 PolarHBondContact O-N 3.35Å |
| 221 | M | 46.3 | Very low | 45.4 | Very low | 100 Ų | 100 | 109.8 Ų | 109.8 | 49% | 0.493 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -26.6 | 174 | -71.5 | -175.8 | 76.4 | 0 | 0 | 112.2 | I217 A218 E219 T224 A235 | I217-M221 HydrophobicContact CG2-CG 4.39Å; I217-M221 HydrophobicContact CG2-SD 4.15Å; I217-M221 WeakPolarHBondContact O-CB 3.37Å; I217-M221 VanDerWaalsContact O-CG 3.3Å; I217-M221 WeakPolarHBondContact O-CG 3.2Å; I217-M221 PolarHBondContact O-N 3.48Å; A218-M221 PolarHBondContact O-N 3.48Å; E219-M221 PolarHBondContact O-N 3.47Å; M221-T224 PolarHBondContact O-OG1 3.47Å; M221-A235 HydrophobicContact CE-CB 4.22Å |
| 222 | A | 47.1 | Very low | 45.2 | Very low | 54 Ų | 54 | 110.9 Ų | 110.9 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.9 | -26.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A218 E219 K220 L232 | A218-A222 WeakPolarHBondContact O-CB 3.19Å; A218-A222 PolarHBondContact O-N 2.81Å; E219-A222 WeakPolarHBondContact O-CA 3.28Å; E219-A222 WeakPolarHBondContact O-CB 3.4Å; E219-A222 PolarHBondContact O-N 2.86Å; K220-A222 PolarHBondContact O-N 3.48Å; A222-L232 HydrophobicContact CB-CD1 3.86Å |
| 223 | E | 45.6 | Very low | 45.1 | Very low | 154 Ų | 154 | 107.2 Ų | 107.2 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.5 | -23.7 | 175.7 | -71.6 | -179.7 | 168.8 | 0 | 0 | 113.2 | E219 K220 K225 | E219-E223 PolarHBondContact O-N 2.87Å; E219-E223 VanDerWaalsContact O-N 3.11Å; K220-E223 PolarHBondContact O-N 2.9Å; E223-K225 PolarHBondContact O-N 3.27Å |
| 224 | T | 41.8 | Very low | 44.9 | Very low | 111 Ų | 111 | 103.2 Ų | 103.2 | 68% | 0.681 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -68.6 | 101.5 | 173.1 | 41.3 | 0 | 0 | 0 | 0 | 110.8 | K220 M221 | K220-T224 PolarHBondContact O-N 3.35Å; M221-T224 PolarHBondContact O-OG1 3.47Å |
| 225 | K | 33.8 | Very low | 44.8 | Very low | 185 Ų | 185 | 103.2 Ų | 103.2 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | trans | -49 | 127.6 | -172.1 | -76 | 179.8 | 173.1 | 177.6 | 0 | 115.8 | E223 | E223-K225 PolarHBondContact O-N 3.27Š| ||
| 226 | H | 47.5 | Very low | 44.7 | Very low | 184 Ų | 184 | 104.4 Ų | 104.4 | 85% | 0.852 | 52% | 0.52 | S | S | * | . | S | Bend | 76.2 | 14.5 | 129.8 | -88.2 | -64.8 | 0 | 0 | 0 | 124.5 | |||
| 227 | K | 34.3 | Very low | 44.5 | Very low | 188 Ų | 188 | 105.3 Ų | 105.3 | 82% | 0.817 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -133.6 | 122 | 159.6 | -74.8 | -172.9 | 176.3 | 177.6 | 0 | 112.6 | ||
| 228 | E | 39 | Very low | 44.3 | Very low | 129 Ų | 129 | 108.7 Ų | 108.7 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | trans | 85 | 95.5 | 171 | -61.1 | 172.2 | -168.3 | 0 | 0 | 117.1 | E230 T231 L232 | E228-E230 PolarHBondContact O-N 3.28Å; E228-E230 VanDerWaalsContact O-N 3.11Å; E228-T231 HydrophobicContact CB-CG2 3.83Å; E228-T231 PolarHBondContact O-N 2.79Å; E228-T231 VanDerWaalsContact O-N 3.07Å; E228-T231 PolarHBondContact O-OG1 3.31Å; E228-T231 WeakPolarHBondContact OE2-CG2 3.43Å; E228-L232 PolarHBondContact O-N 2.8Å | ||
| 229 | H | 42.3 | Very low | 44.2 | Very low | 144 Ų | 144 | 108.9 Ų | 108.9 | 67% | 0.667 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.4 | -21.1 | 165.1 | -162.1 | -57.1 | 0 | 0 | 0 | 112.2 | Q233 | H229-Q233 WeakPolarHBondContact O-CB 3.46Å; H229-Q233 VanDerWaalsContact O-CG 3.26Å; H229-Q233 WeakPolarHBondContact O-CG 3.09Å; H229-Q233 PolarHBondContact O-N 2.91Å; H229-Q233 VanDerWaalsContact O-N 3.15Å |
| 230 | E | 42.7 | Very low | 44.2 | Very low | 149 Ų | 149 | 104.2 Ų | 104.2 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | 173.1 | -74.4 | -176.8 | 158.7 | 0 | 0 | 112.8 | E228 Q233 T234 | E228-E230 PolarHBondContact O-N 3.28Å; E228-E230 VanDerWaalsContact O-N 3.11Å; E230-Q233 PolarHBondContact O-N 2.67Å; E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.37Å; E230-T234 PolarHBondContact O-N 2.94Å; E230-T234 PolarHBondContact O-OG1 3.48Å |
| 231 | T | 42.4 | Very low | 44 | Very low | 75 Ų | 75 | 101 Ų | 101 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | E228 T234 A235 | E228-T231 HydrophobicContact CB-CG2 3.83Å; E228-T231 PolarHBondContact O-N 2.79Å; E228-T231 VanDerWaalsContact O-N 3.07Å; E228-T231 PolarHBondContact O-OG1 3.31Å; E228-T231 WeakPolarHBondContact OE2-CG2 3.43Å; T231-T234 PolarHBondContact O-N 3.4Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.47Å; T231-A235 PolarHBondContact O-N 3.1Å |
| 232 | L | 44.1 | Very low | 44 | Very low | 48 Ų | 48 | 96.9 Ų | 96.9 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 174.4 | -160.4 | 97.6 | 0 | 0 | 0 | 112.2 | A222 E228 R236 | A222-L232 HydrophobicContact CB-CD1 3.86Å; E228-L232 PolarHBondContact O-N 2.8Å; L232-R236 VanDerWaalsContact O-CG 3.26Å; L232-R236 WeakPolarHBondContact O-CG 3.19Å; L232-R236 PolarHBondContact O-N 3.26Å |
| 233 | Q | 46.3 | Very low | 44 | Very low | 47 Ų | 47 | 94.7 Ų | 94.7 | 22% | 0.22 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66 | -46.9 | 176.1 | -78.6 | -70.4 | -14.3 | 0 | 0 | 110.8 | H229 E230 A235 R236 Y237 | H229-Q233 WeakPolarHBondContact O-CB 3.46Å; H229-Q233 VanDerWaalsContact O-CG 3.26Å; H229-Q233 WeakPolarHBondContact O-CG 3.09Å; H229-Q233 PolarHBondContact O-N 2.91Å; H229-Q233 VanDerWaalsContact O-N 3.15Å; E230-Q233 PolarHBondContact O-N 2.67Å; Q233-A235 VanDerWaalsContact C-N 3.31Å; Q233-A235 PolarHBondContact O-N 2.88Å; Q233-R236 CarbonylContact O-C 3.34Å; Q233-R236 WeakPolarHBondContact O-CA 3.21Å; Q233-R236 WeakPolarHBondContact O-CB 3.21Å; Q233-R236 PolarHBondContact O-N 2.97Å; Q233-R236 VanDerWaalsContact O-N 3.07Å; Q233-Y237 VanDerWaalsContact C-CD2 3.46Å; Q233-Y237 HydrophobicContact CB-CD2 4.32Å; Q233-Y237 HydrophobicContact CB-CE2 4.01Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.44Å; Q233-Y237 PolarHBondContact O-N 3.31Å |
| 234 | T | 45.7 | Very low | 44.1 | Very low | 66 Ų | 66 | 88.9 Ų | 88.9 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 177.3 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | E230 T231 Y237 R238 | E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.37Å; E230-T234 PolarHBondContact O-N 2.94Å; E230-T234 PolarHBondContact O-OG1 3.48Å; T231-T234 PolarHBondContact O-N 3.4Å; T234-Y237 PolarHBondContact O-N 2.8Å; T234-R238 WeakPolarHBondContact O-CB 3.36Å; T234-R238 WeakPolarHBondContact O-CG 3.38Å; T234-R238 PolarHBondContact O-N 3.02Å |
| 235 | A | 44.8 | Very low | 44.4 | Very low | 21 Ų | 21 | 86.2 Ų | 86.2 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | M221 T231 Q233 Y237 R238 L239 | M221-A235 HydrophobicContact CE-CB 4.22Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.47Å; T231-A235 PolarHBondContact O-N 3.1Å; Q233-A235 VanDerWaalsContact C-N 3.31Å; Q233-A235 PolarHBondContact O-N 2.88Å; A235-Y237 PolarHBondContact O-N 3.4Å; A235-R238 PolarHBondContact O-N 3.35Å; A235-L239 WeakPolarHBondContact O-CB 3.13Å; A235-L239 WeakPolarHBondContact O-CD1 3.29Å; A235-L239 VanDerWaalsContact O-CG 3.24Å; A235-L239 WeakPolarHBondContact O-CG 3.48Å; A235-L239 PolarHBondContact O-N 3.35Å |
| 236 | R | 46.2 | Very low | 45 | Very low | 82 Ų | 82 | 78 Ų | 78 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 174.3 | -74.2 | 172.2 | -178.8 | -171.4 | 1.1 | 112.3 | L232 Q233 L239 I240 | L232-R236 VanDerWaalsContact O-CG 3.26Å; L232-R236 WeakPolarHBondContact O-CG 3.19Å; L232-R236 PolarHBondContact O-N 3.26Å; Q233-R236 CarbonylContact O-C 3.34Å; Q233-R236 WeakPolarHBondContact O-CA 3.21Å; Q233-R236 WeakPolarHBondContact O-CB 3.21Å; Q233-R236 PolarHBondContact O-N 2.97Å; Q233-R236 VanDerWaalsContact O-N 3.07Å; R236-L239 PolarHBondContact O-N 3.35Å; R236-I240 WeakPolarHBondContact O-CG1 3.37Å; R236-I240 PolarHBondContact O-N 3.43Å; R236-I240 VanDerWaalsContact O-N 3.15Å |
| 237 | Y | 47 | Very low | 45 | Very low | 92 Ų | 92 | 70.3 Ų | 70.3 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 176.7 | -73.2 | -67.4 | 0 | 0 | 0 | 112 | Y55 Q233 T234 A235 L239 I240 L241 | Y55-Y237 AromaticContact CE2-CD1 3.86Å; Y55-Y237 HydrophobicContact CE2-CD1 3.86Å; Y55-Y237 AromaticContact CE2-CE1 3.39Å; Y55-Y237 HydrophobicContact CE2-CE1 3.39Å; Y55-Y237 AromaticContact CE2-CZ 3.86Å; Y55-Y237 AromaticContact CZ-CE1 3.67Å; Y55-Y237 WeakPolarHBondContact OH-CE1 3.16Å; Y55-Y237 PolarHBondContact OH-OH 2.75Å; Q233-Y237 VanDerWaalsContact C-CD2 3.46Å; Q233-Y237 HydrophobicContact CB-CD2 4.32Å; Q233-Y237 HydrophobicContact CB-CE2 4.01Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.44Å; Q233-Y237 PolarHBondContact O-N 3.31Å; T234-Y237 PolarHBondContact O-N 2.8Å; A235-Y237 PolarHBondContact O-N 3.4Å; Y237-L239 VanDerWaalsContact C-N 3.29Å; Y237-L239 PolarHBondContact O-N 3.25Å; Y237-I240 PolarHBondContact O-N 3.21Å; Y237-L241 PolarHBondContact O-N 3.04Å |
| 238 | R | 45.5 | Very low | 45.6 | Very low | 159 Ų | 159 | 65 Ų | 65 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.7 | -37.3 | 176.5 | -74.5 | -179.3 | -177.4 | -169.2 | 2.6 | 111.9 | T234 A235 L241 L242 | T234-R238 WeakPolarHBondContact O-CB 3.36Å; T234-R238 WeakPolarHBondContact O-CG 3.38Å; T234-R238 PolarHBondContact O-N 3.02Å; A235-R238 PolarHBondContact O-N 3.35Å; R238-L241 PolarHBondContact O-N 3.32Å; R238-L242 WeakPolarHBondContact O-CB 3.4Å; R238-L242 PolarHBondContact O-N 3.21Å |
| 239 | L | 46.4 | Very low | 46 | Very low | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 175.9 | -74.7 | 162.6 | 0 | 0 | 0 | 112.9 | L214 A218 A235 R236 Y237 L242 A243 | L214-L239 HydrophobicContact CB-CD2 4.01Å; L214-L239 HydrophobicContact CD2-CD2 3.78Å; L214-L239 HydrophobicContact CG-CD2 4.43Å; A218-L239 HydrophobicContact CB-CD1 3.35Å; A235-L239 WeakPolarHBondContact O-CB 3.13Å; A235-L239 WeakPolarHBondContact O-CD1 3.29Å; A235-L239 VanDerWaalsContact O-CG 3.24Å; A235-L239 WeakPolarHBondContact O-CG 3.48Å; A235-L239 PolarHBondContact O-N 3.35Å; R236-L239 PolarHBondContact O-N 3.35Å; Y237-L239 VanDerWaalsContact C-N 3.29Å; Y237-L239 PolarHBondContact O-N 3.25Å; L239-L242 WeakPolarHBondContact O-CB 3.32Å; L239-L242 PolarHBondContact O-N 3.07Å; L239-A243 WeakPolarHBondContact O-CB 3.37Å; L239-A243 PolarHBondContact O-N 3.16Å |
| 240 | I | 47.1 | Very low | 46.2 | Very low | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 176.4 | -67.8 | 167.7 | 0 | 0 | 0 | 110.4 | L51 Y55 R236 Y237 L242 A243 E244 | L51-I240 HydrophobicContact CD2-CG1 4.1Å; Y55-I240 HydrophobicContact CD2-CD1 3.21Å; Y55-I240 HydrophobicContact CE2-CD1 3.79Å; Y55-I240 HydrophobicContact CG-CD1 3.74Å; R236-I240 WeakPolarHBondContact O-CG1 3.37Å; R236-I240 PolarHBondContact O-N 3.43Å; R236-I240 VanDerWaalsContact O-N 3.15Å; Y237-I240 PolarHBondContact O-N 3.21Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 2.59Å; I240-A243 PolarHBondContact O-N 2.82Å; I240-E244 WeakPolarHBondContact O-CG 3.42Å; I240-E244 PolarHBondContact O-N 2.88Å |
| 241 | L | 47.5 | Very low | 46.4 | Very low | 82 Ų | 82 | 53.4 Ų | 53.4 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.9 | -166.1 | 79 | 0 | 0 | 0 | 111 | Y237 R238 A243 E244 R245 | Y237-L241 PolarHBondContact O-N 3.04Å; R238-L241 PolarHBondContact O-N 3.32Å; L241-A243 PolarHBondContact O-N 3.17Å; L241-E244 PolarHBondContact O-N 3.44Å; L241-R245 HydrophobicContact CG-CG 4.32Å; L241-R245 WeakPolarHBondContact O-CB 3.36Å; L241-R245 WeakPolarHBondContact O-CG 3.2Å; L241-R245 PolarHBondContact O-N 2.98Å |
| 242 | L | 47.1 | Very low | 46.5 | Very low | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 173.8 | -103.6 | 155.8 | 0 | 0 | 0 | 112 | R238 L239 I240 R245 S246 I276 V279 T280 | R238-L242 WeakPolarHBondContact O-CB 3.4Å; R238-L242 PolarHBondContact O-N 3.21Å; L239-L242 WeakPolarHBondContact O-CB 3.32Å; L239-L242 PolarHBondContact O-N 3.07Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 2.59Å; L242-R245 PolarHBondContact O-N 3.44Å; L242-S246 VanDerWaalsContact O-CB 3.24Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.4Å; L242-S246 PolarHBondContact O-OG 2.99Å; L242-I276 HydrophobicContact CD2-CG1 4.28Å; L242-I276 HydrophobicContact CD2-CG2 4.29Å; L242-V279 HydrophobicContact CD1-CB 4.46Å; L242-V279 HydrophobicContact CD1-CG1 3.82Å; L242-V279 HydrophobicContact CD2-CB 3.84Å; L242-V279 HydrophobicContact CD2-CG1 3.65Å; L242-V279 HydrophobicContact CD2-CG2 4.3Å; L242-V279 HydrophobicContact CG-CB 4.22Å; L242-V279 HydrophobicContact CG-CG1 3.48Å; L242-V279 VanDerWaalsContact CG-CG1 3.48Å; L242-T280 HydrophobicContact CD1-CG2 4.1Å |
| 243 | A | 47.2 | Very low | 46.5 | Very low | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L239 I240 L241 S246 F247 | L239-A243 WeakPolarHBondContact O-CB 3.37Å; L239-A243 PolarHBondContact O-N 3.16Å; I240-A243 PolarHBondContact O-N 2.82Å; L241-A243 PolarHBondContact O-N 3.17Å; A243-S246 PolarHBondContact O-N 3.22Å; A243-S246 PolarHBondContact O-OG 3.42Å; A243-F247 PolarHBondContact O-N 3.1Å |
| 244 | E | 46.9 | Very low | 46.6 | Very low | 32 Ų | 32 | 51.5 Ų | 51.5 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.3 | -75.1 | -179.8 | 178.5 | 0 | 0 | 112.2 | Q191 I240 L241 F247 L248 | Q191-E244 WeakPolarHBondContact CG-OE1 3.45Å; I240-E244 WeakPolarHBondContact O-CG 3.42Å; I240-E244 PolarHBondContact O-N 2.88Å; L241-E244 PolarHBondContact O-N 3.44Å; E244-F247 WeakPolarHBondContact O-CB 3.35Å; E244-F247 PolarHBondContact O-N 3.18Å; E244-L248 PolarHBondContact O-N 3.15Å; E244-L248 VanDerWaalsContact O-N 3.09Å |
| 245 | R | 48.1 | Very low | 46.5 | Very low | 55 Ų | 55 | 54.4 Ų | 54.4 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 179.3 | -66 | -68 | 166.3 | 149.5 | 1.3 | 111.2 | L241 L242 F247 L248 L249 E286 | L241-R245 HydrophobicContact CG-CG 4.32Å; L241-R245 WeakPolarHBondContact O-CB 3.36Å; L241-R245 WeakPolarHBondContact O-CG 3.2Å; L241-R245 PolarHBondContact O-N 2.98Å; L242-R245 PolarHBondContact O-N 3.44Å; R245-F247 VanDerWaalsContact C-N 3.3Å; R245-F247 PolarHBondContact O-N 3.46Å; R245-L248 PolarHBondContact O-N 3.41Å; R245-L249 WeakPolarHBondContact O-CB 3.47Å; R245-L249 PolarHBondContact O-N 2.88Å; R245-E286 IonicContact CZ-OE1 3.45Å; R245-E286 IonicContact NH1-OE1 3.85Å; R245-E286 PolarHBondContact NH1-OE1 3.24Å; R245-E286 IonicContact NH2-OE1 3.34Å; R245-E286 PolarHBondContact NH2-OE1 3.44Å |
| 246 | S | 47.3 | Very low | 46.4 | Very low | 13 Ų | 13 | 57.5 Ų | 57.5 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 174.7 | 79 | 0 | 0 | 0 | 0 | 112.4 | L242 A243 L249 R250 | L242-S246 VanDerWaalsContact O-CB 3.24Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.4Å; L242-S246 PolarHBondContact O-OG 2.99Å; A243-S246 PolarHBondContact O-N 3.22Å; A243-S246 PolarHBondContact O-OG 3.42Å; S246-L249 PolarHBondContact O-N 3.16Å; S246-R250 WeakPolarHBondContact O-CG 3.4Å; S246-R250 PolarHBondContact O-N 3.48Å |
| 247 | F | 47.7 | Very low | 46.2 | Very low | 22 Ų | 22 | 58 Ų | 58 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 176.7 | 176.7 | -92.6 | 0 | 0 | 0 | 111.5 | V202 F207 A243 E244 R245 L249 R250 K251 | V202-F247 HydrophobicContact CB-CE2 4.13Å; V202-F247 HydrophobicContact CG1-CD2 3.84Å; V202-F247 HydrophobicContact CG1-CE2 3.89Å; V202-F247 HydrophobicContact CG2-CD2 4.4Å; V202-F247 HydrophobicContact CG2-CE2 3.74Å; V202-F247 HydrophobicContact CG2-CZ 4.38Å; F207-F247 HydrophobicContact CE2-CB 4.46Å; F207-F247 HydrophobicContact CZ-CD2 4.47Å; A243-F247 PolarHBondContact O-N 3.1Å; E244-F247 WeakPolarHBondContact O-CB 3.35Å; E244-F247 PolarHBondContact O-N 3.18Å; R245-F247 VanDerWaalsContact C-N 3.3Å; R245-F247 PolarHBondContact O-N 3.46Å; F247-L249 VanDerWaalsContact C-N 3.35Å; F247-L249 PolarHBondContact O-N 2.94Å; F247-R250 PolarHBondContact O-N 2.94Å; F247-K251 PolarHBondContact O-N 3.15Å; F247-K251 VanDerWaalsContact O-N 3.07Å |
| 248 | L | 46.3 | Very low | 45.9 | Very low | 77 Ų | 77 | 64.6 Ų | 64.6 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176.4 | -70.2 | 173.4 | 0 | 0 | 0 | 111.9 | E244 R245 K251 A252 F315 | E244-L248 PolarHBondContact O-N 3.15Å; E244-L248 VanDerWaalsContact O-N 3.09Å; R245-L248 PolarHBondContact O-N 3.41Å; L248-K251 PolarHBondContact O-N 3.28Å; L248-A252 WeakPolarHBondContact O-CB 3.41Å; L248-A252 PolarHBondContact O-N 3.33Å; L248-F315 HydrophobicContact CB-CE1 4.07Å; L248-F315 HydrophobicContact CD1-CD1 3.89Å; L248-F315 HydrophobicContact CD1-CE1 3.84Å |
| 249 | L | 46.5 | Very low | 45.6 | Very low | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.2 | -148.3 | 90.9 | 0 | 0 | 0 | 111.5 | R245 S246 F247 A252 I253 F272 I275 V293 | R245-L249 WeakPolarHBondContact O-CB 3.47Å; R245-L249 PolarHBondContact O-N 2.88Å; S246-L249 PolarHBondContact O-N 3.16Å; F247-L249 VanDerWaalsContact C-N 3.35Å; F247-L249 PolarHBondContact O-N 2.94Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.28Å; L249-I253 HydrophobicContact CD2-CD1 4.36Å; L249-I253 VanDerWaalsContact O-CG1 3.29Å; L249-I253 WeakPolarHBondContact O-CG1 3.38Å; L249-I253 PolarHBondContact O-N 3.49Å; L249-F272 HydrophobicContact CB-CE1 4.37Å; L249-F272 HydrophobicContact CD2-CD1 4.32Å; L249-F272 HydrophobicContact CD2-CE1 3.73Å; L249-F272 HydrophobicContact CD2-CZ 4.13Å; L249-I275 HydrophobicContact CD2-CD1 3.9Å; L249-V293 HydrophobicContact CD1-CB 4.46Å; L249-V293 HydrophobicContact CD1-CG1 3.82Å; L249-V293 HydrophobicContact CD1-CG2 3.78Å |
| 250 | R | 48 | Very low | 45.1 | Very low | 53 Ų | 53 | 67.7 Ų | 67.7 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175 | -79.2 | -177.2 | -178.2 | -116.5 | -3 | 112.2 | S246 F247 A252 I253 S254 F272 | S246-R250 WeakPolarHBondContact O-CG 3.4Å; S246-R250 PolarHBondContact O-N 3.48Å; F247-R250 PolarHBondContact O-N 2.94Å; R250-A252 VanDerWaalsContact C-N 3.31Å; R250-A252 PolarHBondContact O-N 3.44Å; R250-I253 PolarHBondContact O-N 2.92Å; R250-S254 PolarHBondContact O-N 2.73Å; R250-F272 HydrophobicContact CB-CZ 4.46Å; R250-F272 HydrophobicContact CG-CE1 3.96Å; R250-F272 HydrophobicContact CG-CE2 4.23Å; R250-F272 HydrophobicContact CG-CZ 3.4Å |
| 251 | K | 46.4 | Very low | 44.8 | Very low | 110 Ų | 110 | 73.7 Ų | 73.7 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 175.4 | -169.5 | 174.8 | -177.4 | 173.9 | 0 | 110.9 | F247 L248 S254 L255 | F247-K251 PolarHBondContact O-N 3.15Å; F247-K251 VanDerWaalsContact O-N 3.07Å; L248-K251 PolarHBondContact O-N 3.28Å; K251-S254 PolarHBondContact O-N 3.3Å; K251-S254 PolarHBondContact O-OG 3.34Å; K251-L255 PolarHBondContact O-N 2.92Å |
| 252 | A | 44.5 | Very low | 44.7 | Very low | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L248 L249 R250 S254 L255 F256 V313 | L248-A252 WeakPolarHBondContact O-CB 3.41Å; L248-A252 PolarHBondContact O-N 3.33Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.28Å; R250-A252 VanDerWaalsContact C-N 3.31Å; R250-A252 PolarHBondContact O-N 3.44Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.2Å; A252-L255 WeakPolarHBondContact O-CB 3.42Å; A252-L255 PolarHBondContact O-N 2.72Å; A252-F256 WeakPolarHBondContact O-CD2 3.46Å; A252-V313 HydrophobicContact CB-CG1 4.41Å; A252-V313 HydrophobicContact CB-CG2 4.11Å |
| 253 | I | 44.2 | Very low | 44.6 | Very low | 28 Ų | 28 | 75.1 Ų | 75.1 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.3 | -66.2 | 161.4 | 0 | 0 | 0 | 111.7 | L249 R250 L255 F256 L268 F272 F297 | L249-I253 HydrophobicContact CD2-CD1 4.36Å; L249-I253 VanDerWaalsContact O-CG1 3.29Å; L249-I253 WeakPolarHBondContact O-CG1 3.38Å; L249-I253 PolarHBondContact O-N 3.49Å; R250-I253 PolarHBondContact O-N 2.92Å; I253-L255 PolarHBondContact O-N 3.22Å; I253-L255 VanDerWaalsContact O-N 3.12Å; I253-F256 WeakPolarHBondContact O-CB 3.46Å; I253-F256 PolarHBondContact O-N 3Å; I253-L268 HydrophobicContact CG2-CD2 4.3Å; I253-F272 HydrophobicContact CD1-CE2 3.52Å; I253-F272 HydrophobicContact CD1-CZ 3.47Å; I253-F272 VanDerWaalsContact CD1-CZ 3.47Å; I253-F297 HydrophobicContact CD1-CE1 4.32Å; I253-F297 HydrophobicContact CD1-CE2 4.2Å; I253-F297 HydrophobicContact CD1-CZ 3.51Å; I253-F297 HydrophobicContact CG1-CE1 4.23Å; I253-F297 HydrophobicContact CG1-CE2 4.22Å; I253-F297 HydrophobicContact CG1-CZ 3.68Å |
| 254 | S | 47.4 | Very low | 44.7 | Very low | 89 Ų | 89 | 77.5 Ų | 77.5 | 62% | 0.622 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.7 | -19.1 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 113.8 | R250 K251 A252 F256 | R250-S254 PolarHBondContact O-N 2.73Å; K251-S254 PolarHBondContact O-N 3.3Å; K251-S254 PolarHBondContact O-OG 3.34Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.2Å; S254-F256 VanDerWaalsContact C-N 3.34Å |
| 255 | L | 43.5 | Very low | 44.9 | Very low | 128 Ų | 128 | 79.3 Ų | 79.3 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.1 | 173.3 | -62.5 | 167.6 | 0 | 0 | 0 | 112.4 | K251 A252 I253 | K251-L255 PolarHBondContact O-N 2.92Å; A252-L255 WeakPolarHBondContact O-CB 3.42Å; A252-L255 PolarHBondContact O-N 2.72Å; I253-L255 PolarHBondContact O-N 3.22Å; I253-L255 VanDerWaalsContact O-N 3.12Å |
| 256 | F | 43 | Very low | 45 | Very low | 85 Ų | 85 | 81 Ų | 81 | 37% | 0.373 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -77.9 | 127.5 | 173.2 | -73.8 | -91.7 | 0 | 0 | 0 | 110.1 | A252 I253 S254 R258 F309 | A252-F256 WeakPolarHBondContact O-CD2 3.46Å; I253-F256 WeakPolarHBondContact O-CB 3.46Å; I253-F256 PolarHBondContact O-N 3Å; S254-F256 VanDerWaalsContact C-N 3.34Å; F256-R258 PolarHBondContact O-N 3.36Å; F256-F309 HydrophobicContact CE2-CD2 4.39Å; F256-F309 AromaticContact CE2-CE2 3.46Å; F256-F309 HydrophobicContact CE2-CE2 3.46Å; F256-F309 VanDerWaalsContact CE2-CE2 3.46Å; F256-F309 HydrophobicContact CE2-CZ 4.11Å; F256-F309 AromaticContact CZ-CD2 3.91Å; F256-F309 HydrophobicContact CZ-CD2 3.91Å; F256-F309 AromaticContact CZ-CE2 3.37Å; F256-F309 HydrophobicContact CZ-CE2 3.37Å; F256-F309 HydrophobicContact CZ-CZ 4.22Å |
| 257 | P | 42.6 | Very low | 45.5 | Very low | 93 Ų | 93 | 85.3 Ų | 85.3 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | trans | -64.4 | 131 | 179.7 | 25.6 | -31.7 | 0 | 0 | 0 | 110.4 | T259 | P257-T259 PolarHBondContact O-N 3.06Š| ||
| 258 | R | 40.5 | Very low | 45.6 | Very low | 230 Ų | 230 | 86.2 Ų | 86.2 | 87% | 0.868 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 22.8 | 178.5 | -69.8 | -172.4 | 174.7 | -174.8 | -1.3 | 114.6 | F256 | F256-R258 PolarHBondContact O-N 3.36Š|
| 259 | T | 38.5 | Very low | 45.8 | Very low | 117 Ų | 117 | 87.5 Ų | 87.5 | 72% | 0.718 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 9.5 | -168.2 | 50 | 0 | 0 | 0 | 0 | 115 | P257 | P257-T259 PolarHBondContact O-N 3.06Š|
| 260 | E | 36.8 | Very low | 46.3 | Very low | 140 Ų | 140 | 94 Ų | 94 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | trans | -86.9 | 119.3 | 162 | -76.2 | -171.1 | -179.7 | 0 | 0 | 109.4 | G262 L263 | E260-G262 PolarHBondContact O-N 3.5Å; E260-L263 HydrophobicContact CB-CD1 4.49Å; E260-L263 PolarHBondContact O-N 3.48Å | ||
| 261 | P | 41.7 | Very low | 46.6 | Very low | 144 Ų | 144 | 91.6 Ų | 91.6 | 94% | 0.935 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 10 | -171.2 | 28.4 | -34.2 | 0 | 0 | 0 | 114.7 | ||
| 262 | G | 43.4 | Very low | 46.9 | Very low | 62 Ų | 62 | 87.7 Ų | 87.7 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -18.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E260 S264 | E260-G262 PolarHBondContact O-N 3.5Å; G262-S264 PolarHBondContact O-N 2.83Å; G262-S264 VanDerWaalsContact O-N 3.11Å |
| 263 | L | 45.8 | Very low | 47.4 | Very low | 64 Ų | 64 | 91.2 Ų | 91.2 | 34% | 0.335 | 50% | 0.499 | S | S | . | . | trans | -89.5 | 73.6 | -176.6 | -76.7 | 151.3 | 0 | 0 | 0 | 110.6 | E260 Y267 L268 F297 | E260-L263 HydrophobicContact CB-CD1 4.49Å; E260-L263 PolarHBondContact O-N 3.48Å; L263-Y267 HydrophobicContact CD2-CD1 4.15Å; L263-Y267 HydrophobicContact CD2-CE1 4.37Å; L263-L268 HydrophobicContact CD2-CD2 4.03Å; L263-L268 HydrophobicContact CD2-CG 4.45Å; L263-F297 HydrophobicContact CD2-CD1 4.29Å; L263-F297 HydrophobicContact CD2-CE1 4.49Å | ||
| 264 | S | 50.5 | Low | 47.9 | Very low | 58 Ų | 58 | 95.2 Ų | 95.2 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | trans | -61.9 | 144.8 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | G262 T266 Y267 L268 | G262-S264 PolarHBondContact O-N 2.83Å; G262-S264 VanDerWaalsContact O-N 3.11Å; S264-T266 PolarHBondContact O-N 3.31Å; S264-T266 VanDerWaalsContact O-N 3.11Å; S264-T266 PolarHBondContact OG-OG1 2.78Å; S264-Y267 WeakPolarHBondContact O-CB 3.47Å; S264-Y267 PolarHBondContact O-N 2.81Å; S264-Y267 WeakPolarHBondContact OG-CB 3.44Å; S264-Y267 PolarHBondContact OG-N 3.15Å; S264-L268 PolarHBondContact O-N 3.27Å; S264-L268 VanDerWaalsContact O-N 3.16Å | ||
| 265 | A | 49.6 | Very low | 48.2 | Very low | 70 Ų | 70 | 91.8 Ų | 91.8 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -55 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L268 E269 | A265-L268 PolarHBondContact O-N 3.3Å; A265-E269 WeakPolarHBondContact O-CG 3.36Å; A265-E269 PolarHBondContact O-N 2.8Å |
| 266 | T | 51.1 | Low | 48.6 | Very low | 91 Ų | 91 | 87.3 Ų | 87.3 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.9 | -33.1 | 176.4 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | S264 K270 | S264-T266 PolarHBondContact O-N 3.31Å; S264-T266 VanDerWaalsContact O-N 3.11Å; S264-T266 PolarHBondContact OG-OG1 2.78Å; T266-K270 WeakPolarHBondContact O-CG 3.36Å; T266-K270 PolarHBondContact O-N 2.7Å; T266-K270 VanDerWaalsContact O-N 3.09Å |
| 267 | Y | 56.7 | Low | 49 | Very low | 102 Ų | 102 | 89.3 Ų | 89.3 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 171.8 | -179.7 | -95.1 | 0 | 0 | 0 | 111 | L263 S264 E269 K270 A271 I296 | L263-Y267 HydrophobicContact CD2-CD1 4.15Å; L263-Y267 HydrophobicContact CD2-CE1 4.37Å; S264-Y267 WeakPolarHBondContact O-CB 3.47Å; S264-Y267 PolarHBondContact O-N 2.81Å; S264-Y267 WeakPolarHBondContact OG-CB 3.44Å; S264-Y267 PolarHBondContact OG-N 3.15Å; Y267-E269 PolarHBondContact O-N 3.28Å; Y267-K270 PolarHBondContact O-N 2.87Å; Y267-A271 WeakPolarHBondContact O-CB 3.34Å; Y267-A271 PolarHBondContact O-N 2.68Å; Y267-I296 PolarHBondContact OH-O 3.03Å; Y267-I296 VanDerWaalsContact OH-O 3.07Å |
| 268 | L | 50.9 | Low | 49.2 | Very low | 42 Ų | 42 | 88 Ų | 88 | 22% | 0.22 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.8 | -72.5 | 170.4 | 0 | 0 | 0 | 111.9 | I253 L263 S264 A265 A271 F272 F297 | I253-L268 HydrophobicContact CG2-CD2 4.3Å; L263-L268 HydrophobicContact CD2-CD2 4.03Å; L263-L268 HydrophobicContact CD2-CG 4.45Å; S264-L268 PolarHBondContact O-N 3.27Å; S264-L268 VanDerWaalsContact O-N 3.16Å; A265-L268 PolarHBondContact O-N 3.3Å; L268-A271 PolarHBondContact O-N 2.93Å; L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.27Å; L268-F297 HydrophobicContact CD2-CE1 3.56Å; L268-F297 HydrophobicContact CD2-CZ 4.2Å |
| 269 | E | 50.8 | Low | 49.6 | Very low | 104 Ų | 104 | 79.1 Ų | 79.1 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.6 | -77.1 | -179.6 | 167.7 | 0 | 0 | 112.6 | A265 Y267 A271 F272 D273 | A265-E269 WeakPolarHBondContact O-CG 3.36Å; A265-E269 PolarHBondContact O-N 2.8Å; Y267-E269 PolarHBondContact O-N 3.28Å; E269-A271 PolarHBondContact O-N 2.87Å; E269-F272 WeakPolarHBondContact O-CB 3.37Å; E269-F272 PolarHBondContact O-N 3.22Å; E269-D273 PolarHBondContact O-N 3.3Å |
| 270 | K | 56.5 | Low | 50 | Low | 150 Ų | 150 | 76.8 Ų | 76.8 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 175 | -75.9 | -176 | 177.5 | -174.5 | 0 | 112.7 | T266 Y267 F272 D273 Q274 | T266-K270 WeakPolarHBondContact O-CG 3.36Å; T266-K270 PolarHBondContact O-N 2.7Å; T266-K270 VanDerWaalsContact O-N 3.09Å; Y267-K270 PolarHBondContact O-N 2.87Å; K270-F272 VanDerWaalsContact C-N 3.31Å; K270-F272 PolarHBondContact O-N 3.42Å; K270-D273 PolarHBondContact O-N 3.29Å; K270-Q274 WeakPolarHBondContact O-CB 3.37Å; K270-Q274 PolarHBondContact O-N 2.97Å |
| 271 | A | 54.5 | Low | 50.5 | Low | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.033 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y267 L268 E269 Q274 I275 I296 | Y267-A271 WeakPolarHBondContact O-CB 3.34Å; Y267-A271 PolarHBondContact O-N 2.68Å; L268-A271 PolarHBondContact O-N 2.93Å; E269-A271 PolarHBondContact O-N 2.87Å; A271-Q274 PolarHBondContact O-N 2.99Å; A271-I275 WeakPolarHBondContact O-CB 3.44Å; A271-I275 WeakPolarHBondContact O-CD1 3.24Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.86Å; A271-I296 HydrophobicContact CB-CG2 3.69Å |
| 272 | F | 52.8 | Low | 50.6 | Low | 28 Ų | 28 | 79 Ų | 79 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 173.4 | -94.9 | -71.4 | 0 | 0 | 0 | 112.3 | L249 R250 I253 L268 E269 K270 Q274 I275 I276 | L249-F272 HydrophobicContact CB-CE1 4.37Å; L249-F272 HydrophobicContact CD2-CD1 4.32Å; L249-F272 HydrophobicContact CD2-CE1 3.73Å; L249-F272 HydrophobicContact CD2-CZ 4.13Å; R250-F272 HydrophobicContact CB-CZ 4.46Å; R250-F272 HydrophobicContact CG-CE1 3.96Å; R250-F272 HydrophobicContact CG-CE2 4.23Å; R250-F272 HydrophobicContact CG-CZ 3.4Å; I253-F272 HydrophobicContact CD1-CE2 3.52Å; I253-F272 HydrophobicContact CD1-CZ 3.47Å; I253-F272 VanDerWaalsContact CD1-CZ 3.47Å; L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.27Å; E269-F272 WeakPolarHBondContact O-CB 3.37Å; E269-F272 PolarHBondContact O-N 3.22Å; K270-F272 VanDerWaalsContact C-N 3.31Å; K270-F272 PolarHBondContact O-N 3.42Å; F272-Q274 VanDerWaalsContact C-N 3.33Å; F272-Q274 PolarHBondContact O-N 3.39Å; F272-I275 PolarHBondContact O-N 3.37Å; F272-I276 VanDerWaalsContact O-CG1 3.25Å; F272-I276 WeakPolarHBondContact O-CG1 3.36Å; F272-I276 PolarHBondContact O-N 3.4Å |
| 273 | D | 54.1 | Low | 50.3 | Low | 86 Ų | 86 | 78.6 Ų | 78.6 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 178.4 | -75.7 | -23.5 | 0 | 0 | 0 | 111 | E269 K270 I276 E277 | E269-D273 PolarHBondContact O-N 3.3Å; K270-D273 PolarHBondContact O-N 3.29Å; D273-I276 PolarHBondContact O-N 3.03Å; D273-E277 WeakPolarHBondContact O-CB 3.17Å; D273-E277 PolarHBondContact O-N 3.42Å |
| 274 | Q | 55.9 | Low | 50.2 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 179.2 | -162.4 | 163.9 | 11.3 | 0 | 0 | 113.2 | K270 A271 F272 N278 | K270-Q274 WeakPolarHBondContact O-CB 3.37Å; K270-Q274 PolarHBondContact O-N 2.97Å; A271-Q274 PolarHBondContact O-N 2.99Å; F272-Q274 VanDerWaalsContact C-N 3.33Å; F272-Q274 PolarHBondContact O-N 3.39Å; Q274-N278 WeakPolarHBondContact O-CB 3.47Å; Q274-N278 PolarHBondContact O-N 3.29Å; Q274-N278 PolarHBondContact O-ND2 3.21Å |
| 275 | I | 52.9 | Low | 50 | Low | 17 Ų | 17 | 83 Ų | 83 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 172.8 | -69.9 | 162.3 | 0 | 0 | 0 | 110.4 | L249 A271 F272 N278 V279 V293 I296 | L249-I275 HydrophobicContact CD2-CD1 3.9Å; A271-I275 WeakPolarHBondContact O-CB 3.44Å; A271-I275 WeakPolarHBondContact O-CD1 3.24Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.86Å; F272-I275 PolarHBondContact O-N 3.37Å; I275-N278 PolarHBondContact O-N 3.39Å; I275-V279 HydrophobicContact CG2-CG2 4.39Å; I275-V279 WeakPolarHBondContact O-CG2 3.41Å; I275-V279 PolarHBondContact O-N 3.47Å; I275-V293 HydrophobicContact CD1-CG2 4.09Å; I275-V293 HydrophobicContact CG1-CG2 4.49Å; I275-I296 HydrophobicContact CD1-CD1 3.98Å; I275-I296 HydrophobicContact CG1-CD1 3.66Å |
| 276 | I | 51.1 | Low | 49.7 | Very low | 33 Ų | 33 | 83.8 Ų | 83.8 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.1 | -69 | 166.7 | 0 | 0 | 0 | 110.3 | V210 L242 F272 D273 N278 V279 T280 | V210-I276 HydrophobicContact CG1-CD1 4.16Å; L242-I276 HydrophobicContact CD2-CG1 4.28Å; L242-I276 HydrophobicContact CD2-CG2 4.29Å; F272-I276 VanDerWaalsContact O-CG1 3.25Å; F272-I276 WeakPolarHBondContact O-CG1 3.36Å; F272-I276 PolarHBondContact O-N 3.4Å; D273-I276 PolarHBondContact O-N 3.03Å; I276-N278 PolarHBondContact O-N 3.48Å; I276-V279 PolarHBondContact O-N 2.96Å; I276-T280 PolarHBondContact O-N 3.08Å; I276-T280 PolarHBondContact O-OG1 3.06Å |
| 277 | E | 51.2 | Low | 49.5 | Very low | 127 Ų | 127 | 84 Ų | 84 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 178.1 | -148.9 | 172.1 | -154.3 | 0 | 0 | 111.8 | D273 T280 H281 | D273-E277 WeakPolarHBondContact O-CB 3.17Å; D273-E277 PolarHBondContact O-N 3.42Å; E277-T280 VanDerWaalsContact C-OG1 3.29Å; E277-T280 VanDerWaalsContact CA-OG1 3.32Å; E277-T280 WeakPolarHBondContact CA-OG1 3.48Å; E277-T280 PolarHBondContact O-N 3.27Å; E277-T280 PolarHBondContact O-OG1 2.85Å; E277-H281 PolarHBondContact O-N 3.28Å; E277-H281 VanDerWaalsContact O-N 3.15Å |
| 278 | N | 48 | Very low | 49.2 | Very low | 65 Ų | 65 | 80.9 Ų | 80.9 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 175.9 | -74.5 | -21.5 | 0 | 0 | 0 | 113.5 | Q274 I275 I276 T280 H281 E282 I283 | Q274-N278 WeakPolarHBondContact O-CB 3.47Å; Q274-N278 PolarHBondContact O-N 3.29Å; Q274-N278 PolarHBondContact O-ND2 3.21Å; I275-N278 PolarHBondContact O-N 3.39Å; I276-N278 PolarHBondContact O-N 3.48Å; N278-T280 VanDerWaalsContact C-N 3.3Å; N278-H281 PolarHBondContact O-N 2.9Å; N278-E282 PolarHBondContact O-N 2.92Å; N278-I283 HydrophobicContact CB-CD1 4.18Å |
| 279 | V | 48.6 | Very low | 49 | Very low | 45 Ų | 45 | 80.2 Ų | 80.2 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.8 | -32.3 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 111 | L242 I275 I276 L289 | L242-V279 HydrophobicContact CD1-CB 4.46Å; L242-V279 HydrophobicContact CD1-CG1 3.82Å; L242-V279 HydrophobicContact CD2-CB 3.84Å; L242-V279 HydrophobicContact CD2-CG1 3.65Å; L242-V279 HydrophobicContact CD2-CG2 4.3Å; L242-V279 HydrophobicContact CG-CB 4.22Å; L242-V279 HydrophobicContact CG-CG1 3.48Å; L242-V279 VanDerWaalsContact CG-CG1 3.48Å; I275-V279 HydrophobicContact CG2-CG2 4.39Å; I275-V279 WeakPolarHBondContact O-CG2 3.41Å; I275-V279 PolarHBondContact O-N 3.47Å; I276-V279 PolarHBondContact O-N 2.96Å; V279-L289 HydrophobicContact CG2-CD1 3.3Å |
| 280 | T | 46.5 | Very low | 49 | Very low | 67 Ų | 67 | 76.7 Ų | 76.7 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.1 | -31.9 | 175.9 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | L242 I276 E277 N278 | L242-T280 HydrophobicContact CD1-CG2 4.1Å; I276-T280 PolarHBondContact O-N 3.08Å; I276-T280 PolarHBondContact O-OG1 3.06Å; E277-T280 VanDerWaalsContact C-OG1 3.29Å; E277-T280 VanDerWaalsContact CA-OG1 3.32Å; E277-T280 WeakPolarHBondContact CA-OG1 3.48Å; E277-T280 PolarHBondContact O-N 3.27Å; E277-T280 PolarHBondContact O-OG1 2.85Å; N278-T280 VanDerWaalsContact C-N 3.3Å |
| 281 | H | 46.9 | Very low | 48.7 | Very low | 146 Ų | 146 | 70.5 Ų | 70.5 | 68% | 0.676 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -102.6 | -34 | -165.6 | -91.4 | -73.3 | 0 | 0 | 0 | 118.4 | E277 N278 | E277-H281 PolarHBondContact O-N 3.28Å; E277-H281 VanDerWaalsContact O-N 3.15Å; N278-H281 PolarHBondContact O-N 2.9Å |
| 282 | E | 45 | Very low | 48.5 | Very low | 186 Ų | 186 | 73.3 Ų | 73.3 | 87% | 0.869 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -178.8 | 61.6 | 175.8 | -111.7 | 162.3 | -151.4 | 0 | 0 | 115.1 | N278 | N278-E282 PolarHBondContact O-N 2.92Š|
| 283 | I | 37.9 | Very low | 48.5 | Very low | 52 Ų | 52 | 72.4 Ų | 72.4 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | trans | -123.2 | 110.7 | 168.2 | -57.5 | 178.2 | 0 | 0 | 0 | 110.7 | N278 S285 A288 L289 | N278-I283 HydrophobicContact CB-CD1 4.18Å; I283-S285 WeakPolarHBondContact CG2-O 3.37Å; I283-A288 HydrophobicContact CG2-CB 3.85Å; I283-L289 HydrophobicContact CD1-CD1 4.3Å; I283-L289 HydrophobicContact CG2-CB 4.42Å | ||
| 284 | T | 43.4 | Very low | 48.4 | Very low | 155 Ų | 155 | 69.1 Ų | 69.1 | 95% | 0.951 | 37% | 0.367 | S | S | * | . | trans | -92.5 | -9.6 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 285 | S | 45.6 | Very low | 48.3 | Very low | 60 Ų | 60 | 67.6 Ų | 67.6 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | trans | -126.5 | 135.7 | -177.8 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | I283 D287 A288 L289 | I283-S285 WeakPolarHBondContact CG2-O 3.37Å; S285-D287 VanDerWaalsContact C-N 3.29Å; S285-D287 PolarHBondContact O-N 2.72Å; S285-A288 PolarHBondContact O-N 2.92Å; S285-A288 WeakPolarHBondContact OG-CB 3.24Å; S285-L289 PolarHBondContact O-N 3.43Å | ||
| 286 | E | 43.7 | Very low | 48.3 | Very low | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.9 | -46 | 176.5 | -78.2 | -169.6 | 135.9 | 0 | 0 | 111.2 | R245 A288 L289 F290 | R245-E286 IonicContact CZ-OE1 3.45Å; R245-E286 IonicContact NH1-OE1 3.85Å; R245-E286 PolarHBondContact NH1-OE1 3.24Å; R245-E286 IonicContact NH2-OE1 3.34Å; R245-E286 PolarHBondContact NH2-OE1 3.44Å; E286-A288 VanDerWaalsContact C-N 3.28Å; E286-A288 PolarHBondContact O-N 3.41Å; E286-L289 VanDerWaalsContact O-CB 3.28Å; E286-L289 WeakPolarHBondContact O-CB 3.45Å; E286-L289 PolarHBondContact O-N 3.34Å; E286-L289 VanDerWaalsContact O-N 3.07Å; E286-F290 HydrophobicContact CB-CD2 4.42Å; E286-F290 HydrophobicContact CB-CE2 4.34Å; E286-F290 WeakPolarHBondContact O-CD2 3.39Å; E286-F290 PolarHBondContact O-N 3.33Å |
| 287 | D | 47.2 | Very low | 48.3 | Very low | 96 Ų | 96 | 68.6 Ų | 68.6 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | -177 | -70.9 | -32.8 | 0 | 0 | 0 | 113.2 | S285 F290 A291 | S285-D287 VanDerWaalsContact C-N 3.29Å; S285-D287 PolarHBondContact O-N 2.72Å; D287-F290 PolarHBondContact O-N 2.92Å; D287-A291 WeakPolarHBondContact O-CB 3.46Å; D287-A291 PolarHBondContact O-N 3.44Å |
| 288 | A | 49 | Very low | 48.4 | Very low | 35 Ų | 35 | 65 Ų | 65 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I283 S285 E286 F290 A291 N292 | I283-A288 HydrophobicContact CG2-CB 3.85Å; S285-A288 PolarHBondContact O-N 2.92Å; S285-A288 WeakPolarHBondContact OG-CB 3.24Å; E286-A288 VanDerWaalsContact C-N 3.28Å; E286-A288 PolarHBondContact O-N 3.41Å; A288-F290 VanDerWaalsContact C-N 3.31Å; A288-F290 PolarHBondContact O-N 3.32Å; A288-A291 PolarHBondContact O-N 2.95Å; A288-N292 PolarHBondContact O-N 3.48Å |
| 289 | L | 47.9 | Very low | 48.5 | Very low | 28 Ų | 28 | 66.4 Ų | 66.4 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 173.3 | -168.5 | 85.7 | 0 | 0 | 0 | 110.8 | V279 I283 S285 E286 N292 V293 | V279-L289 HydrophobicContact CG2-CD1 3.3Å; I283-L289 HydrophobicContact CD1-CD1 4.3Å; I283-L289 HydrophobicContact CG2-CB 4.42Å; S285-L289 PolarHBondContact O-N 3.43Å; E286-L289 VanDerWaalsContact O-CB 3.28Å; E286-L289 WeakPolarHBondContact O-CB 3.45Å; E286-L289 PolarHBondContact O-N 3.34Å; E286-L289 VanDerWaalsContact O-N 3.07Å; L289-N292 PolarHBondContact O-N 3.43Å; L289-V293 VanDerWaalsContact O-CG2 3.24Å; L289-V293 WeakPolarHBondContact O-CG2 3.44Å; L289-V293 PolarHBondContact O-N 3.11Å |
| 290 | F | 50.2 | Low | 48.4 | Very low | 30 Ų | 30 | 71.7 Ų | 71.7 | 13% | 0.132 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.2 | -83.7 | -80.8 | 0 | 0 | 0 | 114.1 | E286 D287 A288 N292 V293 Y294 V313 F315 | E286-F290 HydrophobicContact CB-CD2 4.42Å; E286-F290 HydrophobicContact CB-CE2 4.34Å; E286-F290 WeakPolarHBondContact O-CD2 3.39Å; E286-F290 PolarHBondContact O-N 3.33Å; D287-F290 PolarHBondContact O-N 2.92Å; A288-F290 VanDerWaalsContact C-N 3.31Å; A288-F290 PolarHBondContact O-N 3.32Å; F290-N292 PolarHBondContact O-N 3.02Å; F290-V293 PolarHBondContact O-N 2.89Å; F290-Y294 WeakPolarHBondContact O-CB 3.39Å; F290-Y294 PolarHBondContact O-N 3.44Å; F290-V313 HydrophobicContact CE1-CG1 4.3Å; F290-V313 WeakPolarHBondContact CE1-O 3.48Å; F290-V313 WeakPolarHBondContact CZ-O 3.39Å; F290-F315 HydrophobicContact CD1-CD2 4.18Å; F290-F315 AromaticContact CD1-CE2 3.8Å; F290-F315 HydrophobicContact CD1-CE2 3.8Å; F290-F315 AromaticContact CE1-CD2 3.06Å; F290-F315 HydrophobicContact CE1-CD2 3.06Å; F290-F315 AromaticContact CE1-CE2 3.03Å; F290-F315 HydrophobicContact CE1-CE2 3.03Å; F290-F315 HydrophobicContact CE1-CG 4.22Å; F290-F315 HydrophobicContact CE1-CZ 4.28Å; F290-F315 HydrophobicContact CE2-CB 4.09Å; F290-F315 AromaticContact CE2-CD2 3.65Å; F290-F315 HydrophobicContact CE2-CD2 3.65Å; F290-F315 HydrophobicContact CE2-CE2 4.07Å; F290-F315 HydrophobicContact CE2-CG 4.07Å; F290-F315 HydrophobicContact CZ-CB 3.78Å; F290-F315 AromaticContact CZ-CD2 2.78Å; F290-F315 HydrophobicContact CZ-CD2 2.78Å; F290-F315 AromaticContact CZ-CE2 3.27Å; F290-F315 HydrophobicContact CZ-CE2 3.27Å; F290-F315 AromaticContact CZ-CG 3.56Å; F290-F315 HydrophobicContact CZ-CG 3.56Å; F290-F315 HydrophobicContact CZ-CZ 4.46Å |
| 291 | A | 50.7 | Low | 48.3 | Very low | 21 Ų | 21 | 70 Ų | 70 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D287 A288 N295 | D287-A291 WeakPolarHBondContact O-CB 3.46Å; D287-A291 PolarHBondContact O-N 3.44Å; A288-A291 PolarHBondContact O-N 2.95Å; A291-N295 WeakPolarHBondContact O-CB 3.19Å; A291-N295 PolarHBondContact O-N 3.45Å; A291-N295 PolarHBondContact O-ND2 3.26Å; A291-N295 PolarHBondContact O-OD1 3.03Å |
| 292 | N | 51 | Low | 47.7 | Very low | 63 Ų | 63 | 72.5 Ų | 72.5 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 175.7 | -73.4 | -10.7 | 0 | 0 | 0 | 112.3 | A288 L289 F290 Y294 N295 I296 | A288-N292 PolarHBondContact O-N 3.48Å; L289-N292 PolarHBondContact O-N 3.43Å; F290-N292 PolarHBondContact O-N 3.02Å; N292-Y294 PolarHBondContact O-N 3.45Å; N292-N295 PolarHBondContact O-N 3.35Å; N292-I296 WeakPolarHBondContact O-CD1 3.12Å; N292-I296 WeakPolarHBondContact O-CG1 3.14Å; N292-I296 PolarHBondContact O-N 3.07Å |
| 293 | V | 51.7 | Low | 47.5 | Very low | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | L249 I275 L289 F290 I296 F297 | L249-V293 HydrophobicContact CD1-CB 4.46Å; L249-V293 HydrophobicContact CD1-CG1 3.82Å; L249-V293 HydrophobicContact CD1-CG2 3.78Å; I275-V293 HydrophobicContact CD1-CG2 4.09Å; I275-V293 HydrophobicContact CG1-CG2 4.49Å; L289-V293 VanDerWaalsContact O-CG2 3.24Å; L289-V293 WeakPolarHBondContact O-CG2 3.44Å; L289-V293 PolarHBondContact O-N 3.11Å; F290-V293 PolarHBondContact O-N 2.89Å; V293-I296 PolarHBondContact O-N 3.38Å; V293-F297 HydrophobicContact CG1-CD2 3.94Å; V293-F297 HydrophobicContact CG1-CE2 3.89Å; V293-F297 WeakPolarHBondContact O-CD2 3.2Å; V293-F297 PolarHBondContact O-N 3.49Å |
| 294 | Y | 52.4 | Low | 47.6 | Very low | 18 Ų | 18 | 68 Ų | 68 | 7% | 0.071 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 179.1 | -178 | -91.3 | 0 | 0 | 0 | 111.8 | F290 N292 I296 F297 T298 G301 R306 F309 | F290-Y294 WeakPolarHBondContact O-CB 3.39Å; F290-Y294 PolarHBondContact O-N 3.44Å; N292-Y294 PolarHBondContact O-N 3.45Å; Y294-I296 VanDerWaalsContact C-N 3.27Å; Y294-I296 PolarHBondContact O-N 3.1Å; Y294-F297 PolarHBondContact O-N 3.46Å; Y294-T298 VanDerWaalsContact CE1-OG1 3.26Å; Y294-T298 WeakPolarHBondContact CE1-OG1 3.22Å; Y294-T298 VanDerWaalsContact CZ-OG1 3.31Å; Y294-T298 PolarHBondContact O-N 3.09Å; Y294-T298 PolarHBondContact O-OG1 3.09Å; Y294-G301 PolarHBondContact OH-O 3.41Å; Y294-R306 HydrophobicContact CD1-CG 4.09Å; Y294-R306 HydrophobicContact CD2-CG 4.47Å; Y294-R306 HydrophobicContact CE1-CB 3.97Å; Y294-R306 HydrophobicContact CE1-CG 3.88Å; Y294-R306 HydrophobicContact CE2-CB 4.1Å; Y294-R306 HydrophobicContact CE2-CG 4.27Å; Y294-R306 HydrophobicContact CG-CG 4.38Å; Y294-R306 PolarHBondContact OH-N 3.42Å; Y294-F309 HydrophobicContact CD2-CB 4.11Å; Y294-F309 AromaticContact CD2-CD1 3.83Å; Y294-F309 HydrophobicContact CD2-CD1 3.83Å; Y294-F309 HydrophobicContact CD2-CG 4.03Å; Y294-F309 HydrophobicContact CE2-CB 4.08Å; Y294-F309 HydrophobicContact CE2-CG 4.38Å |
| 295 | N | 52.9 | Low | 47.5 | Very low | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -32.1 | 178.2 | -69.8 | -7.5 | 0 | 0 | 0 | 112.5 | A291 N292 T298 P299 | A291-N295 WeakPolarHBondContact O-CB 3.19Å; A291-N295 PolarHBondContact O-N 3.45Å; A291-N295 PolarHBondContact O-ND2 3.26Å; A291-N295 PolarHBondContact O-OD1 3.03Å; N292-N295 PolarHBondContact O-N 3.35Å; N295-T298 CarbonylContact O-C 3.59Å; N295-P299 VanDerWaalsContact O-CA 3.26Å; N295-P299 WeakPolarHBondContact O-CA 3.41Å |
| 296 | I | 53.5 | Low | 47.2 | Very low | 33 Ų | 33 | 70.1 Ų | 70.1 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 175 | -68.6 | 161.2 | 0 | 0 | 0 | 111 | Y267 A271 I275 N292 V293 Y294 | Y267-I296 PolarHBondContact OH-O 3.03Å; Y267-I296 VanDerWaalsContact OH-O 3.07Å; A271-I296 HydrophobicContact CB-CG2 3.69Å; I275-I296 HydrophobicContact CD1-CD1 3.98Å; I275-I296 HydrophobicContact CG1-CD1 3.66Å; N292-I296 WeakPolarHBondContact O-CD1 3.12Å; N292-I296 WeakPolarHBondContact O-CG1 3.14Å; N292-I296 PolarHBondContact O-N 3.07Å; V293-I296 PolarHBondContact O-N 3.38Å; Y294-I296 VanDerWaalsContact C-N 3.27Å; Y294-I296 PolarHBondContact O-N 3.1Å |
| 297 | F | 50.5 | Low | 47.1 | Very low | 38 Ų | 38 | 73.9 Ų | 73.9 | 17% | 0.167 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -78.7 | -26.5 | -179.1 | -74.3 | -68.5 | 0 | 0 | 0 | 113.8 | I253 L263 L268 V293 Y294 | I253-F297 HydrophobicContact CD1-CE1 4.32Å; I253-F297 HydrophobicContact CD1-CE2 4.2Å; I253-F297 HydrophobicContact CD1-CZ 3.51Å; I253-F297 HydrophobicContact CG1-CE1 4.23Å; I253-F297 HydrophobicContact CG1-CE2 4.22Å; I253-F297 HydrophobicContact CG1-CZ 3.68Å; L263-F297 HydrophobicContact CD2-CD1 4.29Å; L263-F297 HydrophobicContact CD2-CE1 4.49Å; L268-F297 HydrophobicContact CD2-CE1 3.56Å; L268-F297 HydrophobicContact CD2-CZ 4.2Å; V293-F297 HydrophobicContact CG1-CD2 3.94Å; V293-F297 HydrophobicContact CG1-CE2 3.89Å; V293-F297 WeakPolarHBondContact O-CD2 3.2Å; V293-F297 PolarHBondContact O-N 3.49Å; Y294-F297 PolarHBondContact O-N 3.46Å |
| 298 | T | 54.6 | Low | 46.9 | Very low | 50 Ų | 50 | 76.2 Ų | 76.2 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | trans | -139.7 | 82.6 | 178.8 | 47.1 | 0 | 0 | 0 | 0 | 110 | Y294 N295 D300 G301 | Y294-T298 VanDerWaalsContact CE1-OG1 3.26Å; Y294-T298 WeakPolarHBondContact CE1-OG1 3.22Å; Y294-T298 VanDerWaalsContact CZ-OG1 3.31Å; Y294-T298 PolarHBondContact O-N 3.09Å; Y294-T298 PolarHBondContact O-OG1 3.09Å; N295-T298 CarbonylContact O-C 3.59Å; T298-D300 PolarHBondContact O-N 3.18Å; T298-G301 PolarHBondContact O-N 3.43Å | ||
| 299 | P | 50.1 | Low | 46.3 | Very low | 95 Ų | 95 | 76.3 Ų | 76.3 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27.8 | -176.2 | 19.8 | -30.1 | 0 | 0 | 0 | 114 | N295 | N295-P299 VanDerWaalsContact O-CA 3.26Å; N295-P299 WeakPolarHBondContact O-CA 3.41Å |
| 300 | D | 46 | Very low | 45.8 | Very low | 156 Ų | 156 | 79.9 Ų | 79.9 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 16.6 | -176.4 | -58.1 | -43 | 0 | 0 | 0 | 113.8 | T298 E302 | T298-D300 PolarHBondContact O-N 3.18Å; D300-E302 PolarHBondContact O-N 3.01Å |
| 301 | G | 44.7 | Very low | 45 | Very low | 31 Ų | 31 | 82.3 Ų | 82.3 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | trans | -88.6 | 83.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y294 T298 | Y294-G301 PolarHBondContact OH-O 3.41Å; T298-G301 PolarHBondContact O-N 3.43Å | ||
| 302 | E | 33.3 | Very low | 44.4 | Very low | 200 Ų | 200 | 87.9 Ų | 87.9 | 94% | 0.935 | 46% | 0.456 | S | S | * | . | trans | -82.7 | 132.2 | 162.3 | -69.1 | -167.7 | 161.3 | 0 | 0 | 111.3 | D300 | D300-E302 PolarHBondContact O-N 3.01Š| ||
| 303 | G | 42.5 | Very low | 43.6 | Very low | 40 Ų | 40 | 85.9 Ų | 85.9 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 136 | -174 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | L305 R306 | G303-L305 PolarHBondContact O-N 3.49Å; G303-R306 PolarHBondContact O-N 3.05Å |
| 304 | P | 39.5 | Very low | 42.8 | Very low | 103 Ų | 103 | 87.2 Ų | 87.2 | 67% | 0.669 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.8 | -13.7 | -170.8 | 24.2 | -34.5 | 0 | 0 | 0 | 114.6 | R306 K307 K308 | P304-R306 VanDerWaalsContact C-N 3.31Å; P304-R306 PolarHBondContact O-N 3.34Å; P304-K307 PolarHBondContact O-N 3.48Å; P304-K308 PolarHBondContact O-N 3.1Å |
| 305 | L | 40.3 | Very low | 42 | Very low | 123 Ų | 123 | 88.3 Ų | 88.3 | 64% | 0.644 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.3 | -36.2 | 171 | -73.9 | 165.5 | 0 | 0 | 0 | 112.2 | G303 K307 K308 F309 | G303-L305 PolarHBondContact O-N 3.49Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.22Å; L305-K308 PolarHBondContact O-N 2.91Å; L305-F309 VanDerWaalsContact O-CB 3.29Å; L305-F309 WeakPolarHBondContact O-CB 3.14Å; L305-F309 PolarHBondContact O-N 3.44Å |
| 306 | R | 39.9 | Very low | 40.7 | Very low | 137 Ų | 137 | 92.5 Ų | 92.5 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 173.4 | -164.6 | 174.8 | 179.2 | -170.6 | 0.3 | 111.7 | Y294 G303 P304 Y310 | Y294-R306 HydrophobicContact CD1-CG 4.09Å; Y294-R306 HydrophobicContact CD2-CG 4.47Å; Y294-R306 HydrophobicContact CE1-CB 3.97Å; Y294-R306 HydrophobicContact CE1-CG 3.88Å; Y294-R306 HydrophobicContact CE2-CB 4.1Å; Y294-R306 HydrophobicContact CE2-CG 4.27Å; Y294-R306 HydrophobicContact CG-CG 4.38Å; Y294-R306 PolarHBondContact OH-N 3.42Å; G303-R306 PolarHBondContact O-N 3.05Å; P304-R306 VanDerWaalsContact C-N 3.31Å; P304-R306 PolarHBondContact O-N 3.34Å; R306-Y310 WeakPolarHBondContact O-CB 3.22Å; R306-Y310 PolarHBondContact O-N 3.45Å |
| 307 | K | 42.5 | Very low | 39.7 | Very low | 166 Ų | 166 | 94.5 Ų | 94.5 | 72% | 0.722 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -39.1 | 174.3 | -78 | -177.2 | 177.1 | 177.4 | 0 | 112.8 | P304 L305 Y310 C311 | P304-K307 PolarHBondContact O-N 3.48Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.22Å; K307-Y310 WeakPolarHBondContact O-CB 3.05Å; K307-Y310 PolarHBondContact O-N 3.41Å; K307-C311 PolarHBondContact O-N 3.39Å; K307-C311 PolarHBondContact O-SG 3.46Å; K307-C311 VanDerWaalsContact O-SG 3.34Å |
| 308 | K | 42.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 96.6 Ų | 96.6 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | 174 | -86.7 | -175.4 | 173.2 | -179.7 | 0 | 111.7 | P304 L305 C311 H312 | P304-K308 PolarHBondContact O-N 3.1Å; L305-K308 PolarHBondContact O-N 2.91Å; K308-C311 PolarHBondContact O-N 3.47Å; K308-H312 PolarHBondContact O-N 3.39Å |
| 309 | F | 36.6 | Very low | 37.3 | Very low | 37 Ų | 37 | 97 Ų | 97 | 16% | 0.162 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.3 | -161.2 | -104.1 | 0 | 0 | 0 | 111 | F256 Y294 L305 C311 H312 V313 | F256-F309 HydrophobicContact CE2-CD2 4.39Å; F256-F309 AromaticContact CE2-CE2 3.46Å; F256-F309 HydrophobicContact CE2-CE2 3.46Å; F256-F309 VanDerWaalsContact CE2-CE2 3.46Å; F256-F309 HydrophobicContact CE2-CZ 4.11Å; F256-F309 AromaticContact CZ-CD2 3.91Å; F256-F309 HydrophobicContact CZ-CD2 3.91Å; F256-F309 AromaticContact CZ-CE2 3.37Å; F256-F309 HydrophobicContact CZ-CE2 3.37Å; F256-F309 HydrophobicContact CZ-CZ 4.22Å; Y294-F309 HydrophobicContact CD2-CB 4.11Å; Y294-F309 AromaticContact CD2-CD1 3.83Å; Y294-F309 HydrophobicContact CD2-CD1 3.83Å; Y294-F309 HydrophobicContact CD2-CG 4.03Å; Y294-F309 HydrophobicContact CE2-CB 4.08Å; Y294-F309 HydrophobicContact CE2-CG 4.38Å; L305-F309 VanDerWaalsContact O-CB 3.29Å; L305-F309 WeakPolarHBondContact O-CB 3.14Å; L305-F309 PolarHBondContact O-N 3.44Å; F309-C311 VanDerWaalsContact C-N 3.27Å; F309-C311 PolarHBondContact O-N 3.15Å; F309-H312 PolarHBondContact O-N 3.42Å; F309-V313 HydrophobicContact CD1-CG2 4.42Å; F309-V313 HydrophobicContact CD2-CG2 4.28Å; F309-V313 HydrophobicContact CE1-CB 4.38Å; F309-V313 HydrophobicContact CE1-CG2 4.05Å; F309-V313 HydrophobicContact CE2-CG2 3.85Å; F309-V313 HydrophobicContact CZ-CG2 3.75Å; F309-V313 PolarHBondContact O-N 2.95Å |
| 310 | Y | 35.7 | Very low | 36.1 | Very low | 103 Ų | 103 | 99.8 Ų | 99.8 | 40% | 0.404 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.3 | -38.2 | 171.3 | -161.8 | -90.8 | 0 | 0 | 0 | 112.4 | R306 K307 V313 S314 | R306-Y310 WeakPolarHBondContact O-CB 3.22Å; R306-Y310 PolarHBondContact O-N 3.45Å; K307-Y310 WeakPolarHBondContact O-CB 3.05Å; K307-Y310 PolarHBondContact O-N 3.41Å; Y310-V313 CarbonylContact O-C 3.5Å; Y310-S314 WeakPolarHBondContact O-CA 3.44Å; Y310-S314 VanDerWaalsContact O-CB 3.29Å; Y310-S314 WeakPolarHBondContact O-CB 2.92Å; Y310-S314 PolarHBondContact O-N 2.94Å |
| 311 | C | 34.4 | Very low | 35.1 | Very low | 82 Ų | 82 | 95.9 Ų | 95.9 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.6 | -40.6 | 176.3 | -72 | 0 | 0 | 0 | 0 | 113.3 | K307 K308 F309 | K307-C311 PolarHBondContact O-N 3.39Å; K307-C311 PolarHBondContact O-SG 3.46Å; K307-C311 VanDerWaalsContact O-SG 3.34Å; K308-C311 PolarHBondContact O-N 3.47Å; F309-C311 VanDerWaalsContact C-N 3.27Å; F309-C311 PolarHBondContact O-N 3.15Å |
| 312 | H | 38 | Very low | 34.1 | Very low | 137 Ų | 137 | 99 Ų | 99 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.4 | -30.9 | 179 | -89.6 | -63.6 | 0 | 0 | 0 | 113 | K308 F309 | K308-H312 PolarHBondContact O-N 3.39Å; F309-H312 PolarHBondContact O-N 3.42Å |
| 313 | V | 34.4 | Very low | 33.7 | Very low | 21 Ų | 21 | 95.8 Ų | 95.8 | 13% | 0.127 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 54.7 | -178.9 | -160 | 0 | 0 | 0 | 0 | 108.5 | A252 F290 F309 Y310 F315 | A252-V313 HydrophobicContact CB-CG1 4.41Å; A252-V313 HydrophobicContact CB-CG2 4.11Å; F290-V313 HydrophobicContact CE1-CG1 4.3Å; F290-V313 WeakPolarHBondContact CE1-O 3.48Å; F290-V313 WeakPolarHBondContact CZ-O 3.39Å; F309-V313 HydrophobicContact CD1-CG2 4.42Å; F309-V313 HydrophobicContact CD2-CG2 4.28Å; F309-V313 HydrophobicContact CE1-CB 4.38Å; F309-V313 HydrophobicContact CE1-CG2 4.05Å; F309-V313 HydrophobicContact CE2-CG2 3.85Å; F309-V313 HydrophobicContact CZ-CG2 3.75Å; F309-V313 PolarHBondContact O-N 2.95Å; Y310-V313 CarbonylContact O-C 3.5Å; V313-F315 HydrophobicContact CG1-CD2 3.74Å; V313-F315 HydrophobicContact CG1-CE2 3.32Å; V313-F315 HydrophobicContact CG1-CZ 4.12Å; V313-F315 PolarHBondContact O-N 3.25Å |
| 314 | S | 34.2 | Very low | 32.8 | Very low | 36 Ų | 36 | 101.8 Ų | 101.8 | 25% | 0.252 | 55% | 0.545 | S | S | . | . | trans | -80.7 | 118.7 | 166.1 | 57.9 | 0 | 0 | 0 | 0 | 107.9 | Y310 R316 | Y310-S314 WeakPolarHBondContact O-CA 3.44Å; Y310-S314 VanDerWaalsContact O-CB 3.29Å; Y310-S314 WeakPolarHBondContact O-CB 2.92Å; Y310-S314 PolarHBondContact O-N 2.94Å; S314-R316 PolarHBondContact O-N 3.34Å | ||
| 315 | F | 35.6 | Very low | 32.1 | Very low | 41 Ų | 41 | 105.2 Ų | 105.2 | 18% | 0.18 | 55% | 0.552 | C | S | . | * | trans | -82.5 | 10.8 | 176.5 | -72.3 | -113.7 | 0 | 0 | 0 | 111.7 | L248 F290 V313 S317 | L248-F315 HydrophobicContact CB-CE1 4.07Å; L248-F315 HydrophobicContact CD1-CD1 3.89Å; L248-F315 HydrophobicContact CD1-CE1 3.84Å; F290-F315 HydrophobicContact CD1-CD2 4.18Å; F290-F315 AromaticContact CD1-CE2 3.8Å; F290-F315 HydrophobicContact CD1-CE2 3.8Å; F290-F315 AromaticContact CE1-CD2 3.06Å; F290-F315 HydrophobicContact CE1-CD2 3.06Å; F290-F315 AromaticContact CE1-CE2 3.03Å; F290-F315 HydrophobicContact CE1-CE2 3.03Å; F290-F315 HydrophobicContact CE1-CG 4.22Å; F290-F315 HydrophobicContact CE1-CZ 4.28Å; F290-F315 HydrophobicContact CE2-CB 4.09Å; F290-F315 AromaticContact CE2-CD2 3.65Å; F290-F315 HydrophobicContact CE2-CD2 3.65Å; F290-F315 HydrophobicContact CE2-CE2 4.07Å; F290-F315 HydrophobicContact CE2-CG 4.07Å; F290-F315 HydrophobicContact CZ-CB 3.78Å; F290-F315 AromaticContact CZ-CD2 2.78Å; F290-F315 HydrophobicContact CZ-CD2 2.78Å; F290-F315 AromaticContact CZ-CE2 3.27Å; F290-F315 HydrophobicContact CZ-CE2 3.27Å; F290-F315 AromaticContact CZ-CG 3.56Å; F290-F315 HydrophobicContact CZ-CG 3.56Å; F290-F315 HydrophobicContact CZ-CZ 4.46Å; V313-F315 HydrophobicContact CG1-CD2 3.74Å; V313-F315 HydrophobicContact CG1-CE2 3.32Å; V313-F315 HydrophobicContact CG1-CZ 4.12Å; V313-F315 PolarHBondContact O-N 3.25Å; F315-S317 PolarHBondContact O-N 3.42Å | ||
| 316 | R | 26.7 | Very low | 31.4 | Very low | 169 Ų | 169 | 104.7 Ų | 104.7 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | trans | -73.7 | 120.9 | 178.5 | -72.1 | -170.7 | 179.4 | -168.9 | -0.1 | 110.9 | S314 G318 | S314-R316 PolarHBondContact O-N 3.34Å; R316-G318 PolarHBondContact O-N 3.36Å | ||
| 317 | S | 31.8 | Very low | 30.7 | Very low | 75 Ų | 75 | 102.7 Ų | 102.7 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | 126.2 | 176.3 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | F315 | F315-S317 PolarHBondContact O-N 3.42Š|
| 318 | G | 28.3 | Very low | 29.9 | Very low | 83 Ų | 83 | 98.8 Ų | 98.8 | 86% | 0.856 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.4 | -2.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | R316 N320 | R316-G318 PolarHBondContact O-N 3.36Å; G318-N320 PolarHBondContact O-N 2.9Å; G318-N320 VanDerWaalsContact O-N 3.09Å |
| 319 | A | 26.9 | Very low | 29.3 | Very low | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | trans | -73.3 | 100.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | C321 | A319-C321 PolarHBondContact O-N 2.91Š| ||
| 320 | N | 25.1 | Very low | 28.8 | Very low | 155 Ų | 155 | 103.7 Ų | 103.7 | 83% | 0.829 | 59% | 0.585 | S | S | * | * | trans | -50 | 111.2 | 152.4 | -80.8 | -26.6 | 0 | 0 | 0 | 105.1 | G318 S322 | G318-N320 PolarHBondContact O-N 2.9Å; G318-N320 VanDerWaalsContact O-N 3.09Å; N320-S322 PolarHBondContact O-N 3.09Å | ||
| 321 | C | 24.7 | Very low | 28.3 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | trans | -59.2 | 90.1 | 167 | -62.7 | 0 | 0 | 0 | 0 | 106.1 | A319 I323 | A319-C321 PolarHBondContact O-N 2.91Å; C321-I323 PolarHBondContact O-N 3.1Å | ||
| 322 | S | 24.1 | Very low | 27.9 | Very low | 96 Ų | 96 | 104.7 Ų | 104.7 | 67% | 0.671 | 60% | 0.595 | S | S | * | * | trans | -60.5 | 100.4 | 160.5 | 52.7 | 0 | 0 | 0 | 0 | 103.6 | N320 Q324 | N320-S322 PolarHBondContact O-N 3.09Å; S322-Q324 PolarHBondContact O-N 3.37Å | ||
| 323 | I | 25 | Very low | 27.2 | Very low | 133 Ų | 133 | 103.3 Ų | 103.3 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | trans | -54.3 | 98.3 | 161.6 | -62.7 | 162.8 | 0 | 0 | 0 | 103.5 | C321 E325 V326 | C321-I323 PolarHBondContact O-N 3.1Å; I323-E325 PolarHBondContact O-N 3.44Å; I323-E325 VanDerWaalsContact O-N 3.07Å; I323-V326 HydrophobicContact CG2-CG2 4.21Å | ||
| 324 | Q | 22.8 | Very low | 26.9 | Very low | 166 Ų | 166 | 110.5 Ų | 110.5 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | -60.5 | 117 | 170.8 | -89.5 | -174.1 | -26.8 | 0 | 0 | 105.3 | S322 | S322-Q324 PolarHBondContact O-N 3.37Š| ||
| 325 | E | 24.3 | Very low | 26.3 | Very low | 175 Ų | 175 | 118 Ų | 118 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | 38.8 | 91.8 | 161.9 | -66.3 | 175.7 | 169.5 | 0 | 0 | 113.6 | I323 P327 | I323-E325 PolarHBondContact O-N 3.44Å; I323-E325 VanDerWaalsContact O-N 3.07Å; E325-P327 WeakPolarHBondContact O-CD 3.44Å | ||
| 326 | V | 25.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | trans | -50.3 | 111.4 | 150.9 | 178.8 | 0 | 0 | 0 | 0 | 105.5 | I323 S328 | I323-V326 HydrophobicContact CG2-CG2 4.21Å; V326-S328 PolarHBondContact O-N 3.46Å | ||
| 327 | P | 24.9 | Very low | 25.8 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | trans | -59.9 | 144.2 | 178 | 24.6 | -31.1 | 0 | 0 | 0 | 107.7 | E325 I329 | E325-P327 WeakPolarHBondContact O-CD 3.44Å; P327-I329 PolarHBondContact O-N 3.22Å | ||
| 328 | S | 25.6 | Very low | 25.5 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | trans | -42.5 | 133.1 | -174.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | V326 N330 D331 | V326-S328 PolarHBondContact O-N 3.46Å; S328-N330 PolarHBondContact O-N 3.06Å; S328-D331 PolarHBondContact O-N 3.44Å | ||
| 329 | I | 30.7 | Very low | 26 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | -9.4 | -175.4 | -73.3 | 164.1 | 0 | 0 | 0 | 115.2 | P327 D331 T332 | P327-I329 PolarHBondContact O-N 3.22Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.16Å; I329-T332 PolarHBondContact O-OG1 3.49Å |
| 330 | N | 26.2 | Very low | 26.4 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -24.6 | 178.8 | -71.2 | -5.3 | 0 | 0 | 0 | 114.2 | S328 | S328-N330 PolarHBondContact O-N 3.06Š|
| 331 | D | 25.3 | Very low | 27.6 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -107.6 | 2.6 | -175.3 | -68.8 | -16.9 | 0 | 0 | 0 | 115.1 | S328 I329 V333 | S328-D331 PolarHBondContact O-N 3.44Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.16Å; D331-V333 VanDerWaalsContact C-N 3.3Å; D331-V333 PolarHBondContact O-N 2.96Å |
| 332 | T | 24.8 | Very low | 28.7 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 44% | 0.442 | 72% | 0.715 | S | S | . | * | trans | -81.4 | 81.3 | 170.8 | 44 | 0 | 0 | 0 | 0 | 110.4 | I329 F334 | I329-T332 PolarHBondContact O-OG1 3.49Å; T332-F334 WeakPolarHBondContact O-CD2 3.28Å; T332-F334 PolarHBondContact O-N 3.1Å | ||
| 333 | V | 23.3 | Very low | 30 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.655 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 98.1 | 170 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | D331 F335 | D331-V333 VanDerWaalsContact C-N 3.3Å; D331-V333 PolarHBondContact O-N 2.96Å; V333-F335 HydrophobicContact CG1-CD2 4.36Å; V333-F335 HydrophobicContact CG1-CE2 4.18Å; V333-F335 PolarHBondContact O-N 2.85Å; V333-F335 VanDerWaalsContact O-N 3.09Å | ||
| 334 | F | 27.9 | Very low | 31.4 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -67.2 | 103.5 | 169.1 | -75.1 | -87.8 | 0 | 0 | 0 | 109 | T332 L336 | T332-F334 WeakPolarHBondContact O-CD2 3.28Å; T332-F334 PolarHBondContact O-N 3.1Å; F334-L336 VanDerWaalsContact C-N 3.3Å; F334-L336 PolarHBondContact O-N 2.93Å | ||
| 335 | F | 23.1 | Very low | 33.6 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | trans | -68.7 | 90.9 | 165.1 | -82.6 | -81.5 | 0 | 0 | 0 | 109.1 | V333 | V333-F335 HydrophobicContact CG1-CD2 4.36Å; V333-F335 HydrophobicContact CG1-CE2 4.18Å; V333-F335 PolarHBondContact O-N 2.85Å; V333-F335 VanDerWaalsContact O-N 3.09Å | ||
| 336 | L | 25.7 | Very low | 36 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -66 | 124.2 | 168.9 | -82.4 | 153.9 | 0 | 0 | 0 | 108.9 | F334 | F334-L336 VanDerWaalsContact C-N 3.3Å; F334-L336 PolarHBondContact O-N 2.93Å | ||
| 337 | P | 25.9 | Very low | 38 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | trans | -63.3 | 139.8 | 175.3 | 24.3 | -31 | 0 | 0 | 0 | 110.2 | V339 | P337-V339 PolarHBondContact O-N 3.42Š| ||
| 338 | K | 25.1 | Very low | 40.3 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 95% | 0.952 | 69% | 0.691 | S | S | * | * | trans | -61.6 | 102.7 | 176.3 | -81.8 | 179.9 | 174.7 | 175.8 | 0 | 109.6 | ||||
| 339 | V | 38 | Very low | 42.8 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | trans | -103.1 | 126.6 | 172.7 | -179 | 0 | 0 | 0 | 0 | 109.1 | P337 S341 | P337-V339 PolarHBondContact O-N 3.42Å; V339-S341 PolarHBondContact O-N 3.45Å; V339-S341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | E | 36 | Very low | 45.2 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | trans | -61.1 | 111.7 | -178.5 | -67.4 | -176.9 | 160.8 | 0 | 0 | 111.8 | K342 | E340-K342 PolarHBondContact O-N 3.04Š| ||
| 341 | S | 51 | Low | 47.7 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.6 | -19.7 | -151.6 | 56 | 0 | 0 | 0 | 0 | 116.4 | V339 V345 | V339-S341 PolarHBondContact O-N 3.45Å; V339-S341 VanDerWaalsContact O-N 3.15Å; S341-V345 WeakPolarHBondContact O-CG2 3.26Å |
| 342 | K | 48.1 | Very low | 50.2 | Low | 179 Ų | 179 | 130.9 Ų | 130.9 | 78% | 0.778 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -84.3 | -37.3 | -162.2 | -69.1 | -173 | 178.2 | -179.8 | 0 | 115.3 | E340 | E340-K342 PolarHBondContact O-N 3.04Å |
| 343 | R | 51.5 | Low | 53 | Low | 219 Ų | 219 | 133.3 Ų | 133.3 | 83% | 0.826 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.8 | -30.6 | -174.6 | -72.4 | -178.7 | 177 | 174.7 | -0.5 | 113.7 | K347 | R343-K347 PolarHBondContact O-N 2.96Å |
| 344 | W | 53.9 | Low | 56 | Low | 168 Ų | 168 | 131.6 Ų | 131.6 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.4 | -36.4 | -177.2 | -113.8 | 83.5 | 0 | 0 | 0 | 112.9 | V346 K347 M348 | W344-V346 PolarHBondContact O-N 3.32Å; W344-K347 PolarHBondContact O-N 2.88Å; W344-M348 HydrophobicContact CE3-CE 3.93Å; W344-M348 HydrophobicContact CE3-CG 3.82Å; W344-M348 HydrophobicContact CH2-CE 3.63Å; W344-M348 HydrophobicContact CZ3-CE 3.15Å; W344-M348 HydrophobicContact CZ3-CG 4.01Å; W344-M348 HydrophobicContact CZ3-SD 4.38Å; W344-M348 WeakPolarHBondContact O-CB 2.93Å; W344-M348 PolarHBondContact O-N 3.33Å |
| 345 | V | 69 | Low | 58.5 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.6 | -43 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | S341 M348 G349 | S341-V345 WeakPolarHBondContact O-CG2 3.26Å; V345-M348 PolarHBondContact O-N 3.4Å; V345-G349 PolarHBondContact O-N 2.93Å |
| 346 | V | 74.1 | Confident | 61.4 | Low | 93 Ų | 93 | 123.6 Ų | 123.6 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.1 | -45.7 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | W344 M348 G349 I350 | W344-V346 PolarHBondContact O-N 3.32Å; V346-M348 VanDerWaalsContact C-N 3.34Å; V346-M348 PolarHBondContact O-N 3.26Å; V346-G349 PolarHBondContact O-N 2.9Å; V346-I350 HydrophobicContact CG1-CD1 4.09Å; V346-I350 WeakPolarHBondContact O-CG1 3.14Å; V346-I350 PolarHBondContact O-N 3.27Å |
| 347 | K | 68.5 | Low | 64.1 | Low | 147 Ų | 147 | 119.4 Ų | 119.4 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.4 | -42.2 | 177.4 | -79.5 | -174.8 | 175 | -177.2 | 0 | 112.1 | R343 W344 I350 I351 | R343-K347 PolarHBondContact O-N 2.96Å; W344-K347 PolarHBondContact O-N 2.88Å; K347-I350 PolarHBondContact O-N 3.16Å; K347-I351 VanDerWaalsContact O-CG1 3.29Å; K347-I351 WeakPolarHBondContact O-CG1 3.25Å; K347-I351 PolarHBondContact O-N 3.33Å; K347-I351 VanDerWaalsContact O-N 3.1Å |
| 348 | M | 73.9 | Confident | 66.8 | Low | 85 Ų | 85 | 119 Ų | 119 | 42% | 0.419 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 176.3 | -79.4 | -62.8 | 170.5 | 0 | 0 | 112.3 | W344 V345 V346 I350 I351 M352 | W344-M348 HydrophobicContact CE3-CE 3.93Å; W344-M348 HydrophobicContact CE3-CG 3.82Å; W344-M348 HydrophobicContact CH2-CE 3.63Å; W344-M348 HydrophobicContact CZ3-CE 3.15Å; W344-M348 HydrophobicContact CZ3-CG 4.01Å; W344-M348 HydrophobicContact CZ3-SD 4.38Å; W344-M348 WeakPolarHBondContact O-CB 2.93Å; W344-M348 PolarHBondContact O-N 3.33Å; V345-M348 PolarHBondContact O-N 3.4Å; V346-M348 VanDerWaalsContact C-N 3.34Å; V346-M348 PolarHBondContact O-N 3.26Å; M348-I350 PolarHBondContact O-N 3.08Å; M348-I351 PolarHBondContact O-N 3.28Å; M348-M352 WeakPolarHBondContact O-CB 3.37Å; M348-M352 WeakPolarHBondContact O-CG 3.49Å; M348-M352 PolarHBondContact O-N 3.08Å |
| 349 | G | 77.5 | Confident | 69.2 | Low | 43 Ų | 43 | 111 Ų | 111 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.7 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V345 V346 M352 L353 | V345-G349 PolarHBondContact O-N 2.93Å; V346-G349 PolarHBondContact O-N 2.9Å; G349-M352 PolarHBondContact O-N 2.96Å; G349-L353 PolarHBondContact O-N 3.15Å; G349-L353 VanDerWaalsContact O-N 3.09Å |
| 350 | I | 81.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 54% | 0.544 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.8 | -46.2 | 179.1 | -64.4 | 167.3 | 0 | 0 | 0 | 111.2 | V346 K347 M348 M352 L353 V354 | V346-I350 HydrophobicContact CG1-CD1 4.09Å; V346-I350 WeakPolarHBondContact O-CG1 3.14Å; V346-I350 PolarHBondContact O-N 3.27Å; K347-I350 PolarHBondContact O-N 3.16Å; M348-I350 PolarHBondContact O-N 3.08Å; I350-M352 VanDerWaalsContact C-N 3.26Å; I350-M352 PolarHBondContact O-N 3.21Å; I350-L353 PolarHBondContact O-N 3.27Å; I350-V354 WeakPolarHBondContact O-CG2 3.36Å; I350-V354 PolarHBondContact O-N 2.69Å; I350-V354 VanDerWaalsContact O-N 3.09Å |
| 351 | I | 78.8 | Confident | 73.4 | Confident | 89 Ų | 89 | 107.2 Ų | 107.2 | 46% | 0.456 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -40.1 | 178.4 | -68 | 166.3 | 0 | 0 | 0 | 110.7 | K347 M348 V354 L355 | K347-I351 VanDerWaalsContact O-CG1 3.29Å; K347-I351 WeakPolarHBondContact O-CG1 3.25Å; K347-I351 PolarHBondContact O-N 3.33Å; K347-I351 VanDerWaalsContact O-N 3.1Å; M348-I351 PolarHBondContact O-N 3.28Å; I351-V354 PolarHBondContact O-N 3.17Å; I351-L355 HydrophobicContact CG2-CD1 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 3.09Å |
| 352 | M | 77.3 | Confident | 74.4 | Confident | 120 Ų | 120 | 110 Ų | 110 | 59% | 0.591 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 177.2 | -73.9 | -68.8 | -71.5 | 0 | 0 | 112.3 | M348 G349 I350 V354 L355 L356 | M348-M352 WeakPolarHBondContact O-CB 3.37Å; M348-M352 WeakPolarHBondContact O-CG 3.49Å; M348-M352 PolarHBondContact O-N 3.08Å; G349-M352 PolarHBondContact O-N 2.96Å; I350-M352 VanDerWaalsContact C-N 3.26Å; I350-M352 PolarHBondContact O-N 3.21Å; M352-V354 PolarHBondContact O-N 3.49Å; M352-L355 PolarHBondContact O-N 3.33Å; M352-L356 WeakPolarHBondContact O-CB 3.41Å; M352-L356 PolarHBondContact O-N 3.14Å; M352-L356 VanDerWaalsContact O-N 3.07Å |
| 353 | L | 83.6 | Confident | 75.4 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 179 | -157.8 | 121.6 | 0 | 0 | 0 | 111.7 | G349 I350 L356 T357 | G349-L353 PolarHBondContact O-N 3.15Å; G349-L353 VanDerWaalsContact O-N 3.09Å; I350-L353 PolarHBondContact O-N 3.27Å; L353-L356 PolarHBondContact O-N 3.39Å; L353-T357 WeakPolarHBondContact O-CG2 3.29Å; L353-T357 PolarHBondContact O-N 2.9Å; L353-T357 VanDerWaalsContact O-N 3.1Å; L353-T357 PolarHBondContact O-OG1 2.89Å |
| 354 | V | 85.3 | Confident | 76.5 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | I350 I351 M352 L356 T357 I358 | I350-V354 WeakPolarHBondContact O-CG2 3.36Å; I350-V354 PolarHBondContact O-N 2.69Å; I350-V354 VanDerWaalsContact O-N 3.09Å; I351-V354 PolarHBondContact O-N 3.17Å; M352-V354 PolarHBondContact O-N 3.49Å; V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.48Å; V354-T357 PolarHBondContact O-N 3.45Å; V354-T357 PolarHBondContact O-OG1 3.43Å; V354-I358 HydrophobicContact CG1-CD1 3.93Å; V354-I358 VanDerWaalsContact O-CG1 3.29Å; V354-I358 WeakPolarHBondContact O-CG1 3.37Å; V354-I358 PolarHBondContact O-N 3.33Å; V354-I358 VanDerWaalsContact O-N 3.11Å |
| 355 | L | 81.7 | Confident | 77.2 | Confident | 88 Ų | 88 | 99.1 Ų | 99.1 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 176.4 | -74.1 | 169.9 | 0 | 0 | 0 | 111.9 | I351 M352 A359 | I351-L355 HydrophobicContact CG2-CD1 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 3.09Å; M352-L355 PolarHBondContact O-N 3.33Å; L355-A359 WeakPolarHBondContact O-CB 3.4Å; L355-A359 PolarHBondContact O-N 2.98Å |
| 356 | L | 84 | Confident | 76.5 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.7 | -39.8 | 179.6 | -140.6 | 151.5 | 0 | 0 | 0 | 111.8 | M352 L353 V354 A359 L360 | M352-L356 WeakPolarHBondContact O-CB 3.41Å; M352-L356 PolarHBondContact O-N 3.14Å; M352-L356 VanDerWaalsContact O-N 3.07Å; L353-L356 PolarHBondContact O-N 3.39Å; V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.48Å; L356-A359 PolarHBondContact O-N 3.39Å; L356-L360 HydrophobicContact CD2-CD1 3.92Å; L356-L360 HydrophobicContact CD2-CG 4.44Å; L356-L360 WeakPolarHBondContact O-CG 3.15Å; L356-L360 PolarHBondContact O-N 3.36Å |
| 357 | T | 82 | Confident | 75.4 | Confident | 66 Ų | 66 | 107.4 Ų | 107.4 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | L353 V354 A359 L360 I361 | L353-T357 WeakPolarHBondContact O-CG2 3.29Å; L353-T357 PolarHBondContact O-N 2.9Å; L353-T357 VanDerWaalsContact O-N 3.1Å; L353-T357 PolarHBondContact O-OG1 2.89Å; V354-T357 PolarHBondContact O-N 3.45Å; V354-T357 PolarHBondContact O-OG1 3.43Å; T357-A359 PolarHBondContact O-N 3.31Å; T357-L360 PolarHBondContact O-N 3.5Å; T357-I361 WeakPolarHBondContact O-CG1 3.37Å; T357-I361 PolarHBondContact O-N 3.33Å |
| 358 | I | 81.5 | Confident | 74.9 | Confident | 94 Ų | 94 | 108.5 Ų | 108.5 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.6 | -67 | 167.8 | 0 | 0 | 0 | 110.9 | V354 L360 I361 F362 | V354-I358 HydrophobicContact CG1-CD1 3.93Å; V354-I358 VanDerWaalsContact O-CG1 3.29Å; V354-I358 WeakPolarHBondContact O-CG1 3.37Å; V354-I358 PolarHBondContact O-N 3.33Å; V354-I358 VanDerWaalsContact O-N 3.11Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.24Å; I358-I361 PolarHBondContact O-N 3.07Å; I358-F362 WeakPolarHBondContact O-CB 3.43Å; I358-F362 PolarHBondContact O-N 3.34Å |
| 359 | A | 75.9 | Confident | 73.6 | Confident | 51 Ų | 51 | 113.9 Ų | 113.9 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L355 L356 T357 F362 Q363 | L355-A359 WeakPolarHBondContact O-CB 3.4Å; L355-A359 PolarHBondContact O-N 2.98Å; L356-A359 PolarHBondContact O-N 3.39Å; T357-A359 PolarHBondContact O-N 3.31Å; A359-F362 PolarHBondContact O-N 3.4Å; A359-Q363 WeakPolarHBondContact O-CB 3.29Å; A359-Q363 WeakPolarHBondContact O-CG 3.44Å; A359-Q363 PolarHBondContact O-N 2.72Å |
| 360 | L | 81.6 | Confident | 71.8 | Confident | 101 Ų | 101 | 117.1 Ų | 117.1 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -43.2 | 175.5 | -78.2 | 165.2 | 0 | 0 | 0 | 112.2 | L356 T357 I358 F362 Q363 Y364 | L356-L360 HydrophobicContact CD2-CD1 3.92Å; L356-L360 HydrophobicContact CD2-CG 4.44Å; L356-L360 WeakPolarHBondContact O-CG 3.15Å; L356-L360 PolarHBondContact O-N 3.36Å; T357-L360 PolarHBondContact O-N 3.5Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.24Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 3.19Å; L360-Q363 PolarHBondContact O-N 3.05Å; L360-Y364 WeakPolarHBondContact O-CB 3.42Å; L360-Y364 PolarHBondContact O-N 3.05Å |
| 361 | I | 80.3 | Confident | 69.9 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.2 | -42.2 | 175.2 | -68.5 | 159.8 | 0 | 0 | 0 | 110.8 | T357 I358 Y364 S365 | T357-I361 WeakPolarHBondContact O-CG1 3.37Å; T357-I361 PolarHBondContact O-N 3.33Å; I358-I361 PolarHBondContact O-N 3.07Å; I361-Y364 PolarHBondContact O-N 3.42Å; I361-S365 WeakPolarHBondContact O-CB 3.21Å; I361-S365 PolarHBondContact O-N 3.46Å; I361-S365 PolarHBondContact O-OG 2.81Å |
| 362 | F | 72.5 | Confident | 68.2 | Low | 140 Ų | 140 | 126.1 Ų | 126.1 | 61% | 0.614 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.1 | -38.7 | 178.3 | -157 | -92.3 | 0 | 0 | 0 | 112 | I358 A359 L360 S365 R366 | I358-F362 WeakPolarHBondContact O-CB 3.43Å; I358-F362 PolarHBondContact O-N 3.34Å; A359-F362 PolarHBondContact O-N 3.4Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 3.19Å; F362-S365 PolarHBondContact O-OG 2.98Å; F362-S365 VanDerWaalsContact O-OG 3.08Å; F362-R366 WeakPolarHBondContact O-CB 3.36Å; F362-R366 PolarHBondContact O-N 2.93Å |
| 363 | Q | 70.1 | Confident | 66.5 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 172.8 | -76.8 | -172.1 | -2.7 | 0 | 0 | 112.1 | A359 L360 R367 | A359-Q363 WeakPolarHBondContact O-CB 3.29Å; A359-Q363 WeakPolarHBondContact O-CG 3.44Å; A359-Q363 PolarHBondContact O-N 2.72Å; L360-Q363 PolarHBondContact O-N 3.05Å; Q363-R367 WeakPolarHBondContact O-CB 3.4Å; Q363-R367 PolarHBondContact O-N 3.09Å |
| 364 | Y | 73.3 | Confident | 64.3 | Low | 165 Ų | 165 | 124.9 Ų | 124.9 | 65% | 0.647 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.2 | -47 | 176.7 | -176.6 | -100.9 | 0 | 0 | 0 | 112.2 | L360 I361 R366 R367 R368 | L360-Y364 WeakPolarHBondContact O-CB 3.42Å; L360-Y364 PolarHBondContact O-N 3.05Å; I361-Y364 PolarHBondContact O-N 3.42Å; Y364-R366 VanDerWaalsContact C-N 3.34Å; Y364-R366 PolarHBondContact O-N 2.9Å; Y364-R367 WeakPolarHBondContact O-CB 3.34Å; Y364-R367 PolarHBondContact O-N 2.91Å; Y364-R368 PolarHBondContact O-N 2.99Å |
| 365 | S | 68.2 | Low | 62.2 | Low | 43 Ų | 43 | 125.1 Ų | 125.1 | 30% | 0.301 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.1 | -38.8 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | I361 F362 R368 R369 | I361-S365 WeakPolarHBondContact O-CB 3.21Å; I361-S365 PolarHBondContact O-N 3.46Å; I361-S365 PolarHBondContact O-OG 2.81Å; F362-S365 PolarHBondContact O-OG 2.98Å; F362-S365 VanDerWaalsContact O-OG 3.08Å; S365-R368 PolarHBondContact O-N 3.24Å; S365-R369 PolarHBondContact O-N 3.49Å |
| 366 | R | 55.9 | Low | 60 | Low | 180 Ų | 180 | 125.5 Ų | 125.5 | 68% | 0.679 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.3 | -44.4 | 172.3 | -170.4 | 175.8 | 176 | -179.3 | -0.4 | 111.3 | F362 Y364 R368 R369 F370 | F362-R366 WeakPolarHBondContact O-CB 3.36Å; F362-R366 PolarHBondContact O-N 2.93Å; Y364-R366 VanDerWaalsContact C-N 3.34Å; Y364-R366 PolarHBondContact O-N 2.9Å; R366-R368 VanDerWaalsContact C-N 3.31Å; R366-R368 PolarHBondContact O-N 3.38Å; R366-R369 PolarHBondContact O-N 3.31Å; R366-F370 VanDerWaalsContact O-CB 3.26Å; R366-F370 WeakPolarHBondContact O-CB 3.45Å; R366-F370 PolarHBondContact O-N 3.04Å |
| 367 | R | 50.9 | Low | 58 | Low | 192 Ų | 192 | 126.4 Ų | 126.4 | 73% | 0.725 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.7 | -40.3 | 173.1 | -96 | -179.8 | 172.5 | 172.5 | -1.4 | 112.5 | Q363 Y364 F370 R371 | Q363-R367 WeakPolarHBondContact O-CB 3.4Å; Q363-R367 PolarHBondContact O-N 3.09Å; Y364-R367 WeakPolarHBondContact O-CB 3.34Å; Y364-R367 PolarHBondContact O-N 2.91Å; R367-F370 PolarHBondContact O-N 3.46Å; R367-R371 PolarHBondContact O-N 3.36Å |
| 368 | R | 57.1 | Low | 56.1 | Low | 169 Ų | 169 | 124.6 Ų | 124.6 | 64% | 0.638 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66 | -48.3 | -179.9 | -169.3 | 179.6 | 179.8 | -172.5 | 0.6 | 112 | Y364 S365 R366 F370 R371 | Y364-R368 PolarHBondContact O-N 2.99Å; S365-R368 PolarHBondContact O-N 3.24Å; R366-R368 VanDerWaalsContact C-N 3.31Å; R366-R368 PolarHBondContact O-N 3.38Å; R368-F370 PolarHBondContact O-N 2.95Å; R368-R371 PolarHBondContact O-N 2.9Å |
| 369 | R | 46.8 | Very low | 53.8 | Low | 199 Ų | 199 | 123.5 Ų | 123.5 | 75% | 0.751 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.1 | -33.3 | 175.5 | -69.1 | -171.1 | -153.6 | 176.3 | 5.5 | 112.2 | S365 R366 R371 Q372 | S365-R369 PolarHBondContact O-N 3.49Å; R366-R369 PolarHBondContact O-N 3.31Å; R369-R371 VanDerWaalsContact C-N 3.3Å; R369-R371 PolarHBondContact O-N 3.43Å; R369-Q372 PolarHBondContact O-N 3.34Å |
| 370 | F | 40.3 | Very low | 52 | Low | 111 Ų | 111 | 128.7 Ų | 128.7 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69 | -23.5 | -179.7 | -158.2 | -93.3 | 0 | 0 | 0 | 113.7 | R366 R367 R368 V415 | R366-F370 VanDerWaalsContact O-CB 3.26Å; R366-F370 WeakPolarHBondContact O-CB 3.45Å; R366-F370 PolarHBondContact O-N 3.04Å; R367-F370 PolarHBondContact O-N 3.46Å; R368-F370 PolarHBondContact O-N 2.95Å; F370-V415 HydrophobicContact CE1-CG1 3.85Å; F370-V415 HydrophobicContact CZ-CG1 3.78Å |
| 371 | R | 40.5 | Very low | 50.1 | Low | 226 Ų | 226 | 132 Ų | 132 | 85% | 0.853 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -15.4 | 177.2 | -82.5 | -173.9 | 174.1 | 178.4 | -2.5 | 114.4 | R367 R368 R369 | R367-R371 PolarHBondContact O-N 3.36Å; R368-R371 PolarHBondContact O-N 2.9Å; R369-R371 VanDerWaalsContact C-N 3.3Å; R369-R371 PolarHBondContact O-N 3.43Å |
| 372 | Q | 42.7 | Very low | 48.1 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -101 | -5 | -168 | -76.3 | -178.3 | -30.3 | 0 | 0 | 115.4 | R369 | R369-Q372 PolarHBondContact O-N 3.34Š|
| 373 | S | 42 | Very low | 46.4 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | trans | -109.1 | 109 | 179.7 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 374 | T | 37 | Very low | 44.5 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | trans | -115.2 | 83.6 | 175 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 375 | S | 41.1 | Very low | 42.7 | Very low | 77 Ų | 77 | 120.9 Ų | 120.9 | 54% | 0.538 | 61% | 0.605 | S | S | . | * | trans | -133 | 138.9 | 168.5 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 376 | P | 37.2 | Very low | 41 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -76 | -27.7 | -175.6 | 28.1 | -33.5 | 0 | 0 | 0 | 114.2 | A378 M379 | P376-A378 VanDerWaalsContact C-N 3.33Å; P376-A378 PolarHBondContact O-N 3.38Å; P376-M379 WeakPolarHBondContact O-CB 3.35Å; P376-M379 PolarHBondContact O-N 3.41Å |
| 377 | D | 41.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -26.4 | -176.7 | -65.6 | -30.4 | 0 | 0 | 0 | 113.5 | M379 Q380 | D377-M379 PolarHBondContact O-N 3.16Å; D377-Q380 PolarHBondContact O-N 3.48Å |
| 378 | A | 41.6 | Very low | 39 | Very low | 28 Ų | 28 | 113.9 Ų | 113.9 | 23% | 0.231 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -60.1 | -17.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P376 R382 | P376-A378 VanDerWaalsContact C-N 3.33Å; P376-A378 PolarHBondContact O-N 3.38Å; A378-R382 VanDerWaalsContact O-CB 3.24Å; A378-R382 WeakPolarHBondContact O-CB 3.26Å; A378-R382 WeakPolarHBondContact O-CD 3.38Å; A378-R382 WeakPolarHBondContact O-CG 3.29Å; A378-R382 PolarHBondContact O-N 3.47Å |
| 379 | M | 34.6 | Very low | 37.8 | Very low | 72 Ų | 72 | 111.5 Ų | 111.5 | 36% | 0.355 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.3 | -37.6 | -178.8 | -159.5 | 167.1 | 92.1 | 0 | 0 | 113.1 | P376 D377 R382 C383 | P376-M379 WeakPolarHBondContact O-CB 3.35Å; P376-M379 PolarHBondContact O-N 3.41Å; D377-M379 PolarHBondContact O-N 3.16Å; M379-R382 PolarHBondContact O-N 2.83Å; M379-C383 PolarHBondContact O-N 3.28Å; M379-C383 PolarHBondContact O-SG 3.2Å |
| 380 | Q | 36.8 | Very low | 37.2 | Very low | 160 Ų | 160 | 102.2 Ų | 102.2 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.1 | -45.7 | -179.2 | -79.7 | -174.4 | -11.9 | 0 | 0 | 111.7 | D377 R382 C383 | D377-Q380 PolarHBondContact O-N 3.48Å; Q380-R382 VanDerWaalsContact C-N 3.27Å; Q380-R382 PolarHBondContact O-N 3.47Å; Q380-C383 PolarHBondContact O-N 2.92Å |
| 381 | Q | 41.1 | Very low | 36.7 | Very low | 170 Ų | 170 | 102.1 Ų | 102.1 | 79% | 0.794 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.2 | -29.2 | 174.9 | -77.5 | -179.1 | -11.9 | 0 | 0 | 112.7 | ||
| 382 | R | 40 | Very low | 36.4 | Very low | 112 Ų | 112 | 99.4 Ų | 99.4 | 42% | 0.423 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -23.6 | 177.6 | -85.6 | 173.8 | -167 | 179.9 | 5.7 | 114.7 | A378 M379 Q380 I416 | A378-R382 VanDerWaalsContact O-CB 3.24Å; A378-R382 WeakPolarHBondContact O-CB 3.26Å; A378-R382 WeakPolarHBondContact O-CD 3.38Å; A378-R382 WeakPolarHBondContact O-CG 3.29Å; A378-R382 PolarHBondContact O-N 3.47Å; M379-R382 PolarHBondContact O-N 2.83Å; Q380-R382 VanDerWaalsContact C-N 3.27Å; Q380-R382 PolarHBondContact O-N 3.47Å; R382-I416 HydrophobicContact CB-CD1 4.05Å; R382-I416 HydrophobicContact CG-CD1 4.23Å |
| 383 | C | 35.2 | Very low | 36 | Very low | 48 Ų | 48 | 94.2 Ų | 94.2 | 32% | 0.324 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -96.2 | -9.1 | -173.6 | -69.3 | 0 | 0 | 0 | 0 | 114.1 | M379 Q380 G385 | M379-C383 PolarHBondContact O-N 3.28Å; M379-C383 PolarHBondContact O-SG 3.2Å; Q380-C383 PolarHBondContact O-N 2.92Å; C383-G385 PolarHBondContact O-N 2.98Å |
| 384 | A | 31.3 | Very low | 35.8 | Very low | 84 Ų | 84 | 95.6 Ų | 95.6 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -72.4 | 109.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 385 | G | 35.8 | Very low | 35.5 | Very low | 70 Ų | 70 | 94.5 Ų | 94.5 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 97.5 | 1.5 | 167 | 0 | 0 | 0 | 0 | 0 | 118.2 | C383 | C383-G385 PolarHBondContact O-N 2.98Š|
| 386 | T | 32.1 | Very low | 35.6 | Very low | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | trans | -91.5 | 111.4 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 387 | F | 31.4 | Very low | 36 | Very low | 149 Ų | 149 | 91.1 Ų | 91.1 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | trans | -63.2 | 132.8 | 168.5 | -64.8 | -87.8 | 0 | 0 | 0 | 111.3 | K389 | F387-K389 PolarHBondContact O-N 2.82Š| ||
| 388 | L | 33.7 | Very low | 36.1 | Very low | 40 Ų | 40 | 88.5 Ų | 88.5 | 21% | 0.209 | 47% | 0.472 | C | S | . | . | trans | -57.9 | 115.5 | 173.8 | -107.8 | 116 | 0 | 0 | 0 | 110.5 | V390 V410 W417 | L388-V390 HydrophobicContact CD2-CG2 4.3Å; L388-V410 HydrophobicContact CD2-CG2 3.64Å; L388-W417 HydrophobicContact CD1-CH2 3.62Å; L388-W417 HydrophobicContact CD1-CZ2 4.38Å; L388-W417 HydrophobicContact CD1-CZ3 3.76Å; L388-W417 HydrophobicContact CD2-CZ3 4.34Å; L388-W417 HydrophobicContact CG-CH2 4.33Å; L388-W417 HydrophobicContact CG-CZ3 4.2Å | ||
| 389 | K | 30.6 | Very low | 36.4 | Very low | 118 Ų | 118 | 89.4 Ų | 89.4 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | trans | -111.1 | 132.7 | 175.8 | -79.1 | -176.4 | 179.6 | 176.8 | 0 | 111.2 | F387 Y391 | F387-K389 PolarHBondContact O-N 2.82Å; K389-Y391 HydrophobicContact CB-CE2 4.47Å | ||
| 390 | V | 35 | Very low | 37.1 | Very low | 5 Ų | 5 | 92.6 Ų | 92.6 | 3% | 0.03 | 49% | 0.486 | C | S | . | . | trans | -142.5 | 132.8 | -155.7 | 152.8 | 0 | 0 | 0 | 0 | 111.5 | L388 I409 Y446 | L388-V390 HydrophobicContact CD2-CG2 4.3Å; V390-I409 CarbonylContact C-O 3.59Å; V390-I409 WeakPolarHBondContact CA-O 3.44Å; V390-I409 HydrophobicContact CB-CB 4.38Å; V390-I409 HydrophobicContact CB-CG2 3.87Å; V390-I409 WeakPolarHBondContact CB-O 3.13Å; V390-I409 VanDerWaalsContact CG1-C 3.49Å; V390-I409 HydrophobicContact CG1-CB 3.6Å; V390-I409 HydrophobicContact CG1-CG1 3.76Å; V390-I409 HydrophobicContact CG1-CG2 3.52Å; V390-I409 WeakPolarHBondContact CG1-O 3.33Å; V390-I409 HydrophobicContact CG2-CB 4.11Å; V390-I409 HydrophobicContact CG2-CG2 3.17Å; V390-I409 VanDerWaalsContact CG2-O 3.24Å; V390-I409 WeakPolarHBondContact CG2-O 3.44Å; V390-Y446 WeakPolarHBondContact CB-O 3.14Å; V390-Y446 WeakPolarHBondContact CG1-O 3.12Å | ||
| 391 | Y | 30.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 88.5 Ų | 88.5 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | trans | -132.8 | 130.5 | -168.1 | -70.5 | -92 | 0 | 0 | 0 | 113.4 | K389 I409 N413 | K389-Y391 HydrophobicContact CB-CE2 4.47Å; Y391-I409 PolarHBondContact N-O 3.2Å; Y391-N413 HydrophobicContact CD2-CB 4.23Å; Y391-N413 HydrophobicContact CE2-CB 3.71Å; Y391-N413 WeakPolarHBondContact CE2-ND2 3.45Å | ||
| 392 | K | 33.4 | Very low | 38.4 | Very low | 169 Ų | 169 | 80.5 Ų | 80.5 | 74% | 0.735 | 43% | 0.432 | S | S | * | . | trans | 23.4 | 127.8 | 164.3 | -95.8 | -172.1 | 173.6 | -173.8 | 0 | 119.7 | H448 | K392-H448 VanDerWaalsContact CG-ND1 3.33Å; K392-H448 WeakPolarHBondContact CG-ND1 3.12Å | ||
| 393 | P | 34.3 | Very low | 38.9 | Very low | 49 Ų | 49 | 79.5 Ų | 79.5 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | -136.3 | 168.4 | 92.9 | 32.8 | -17 | 0 | 0 | 0 | 114.2 | N395 H448 | P393-N395 PolarHBondContact O-N 2.72Å; P393-H448 PolarHBondContact O-CE1 3.49Å | |||
| 394 | S | 38.3 | Very low | 39.6 | Very low | 108 Ų | 108 | 84.5 Ų | 84.5 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -69 | -14.5 | -158.8 | 8.4 | 0 | 0 | 0 | 0 | 118 | ||
| 395 | N | 30.2 | Very low | 40.8 | Very low | 116 Ų | 116 | 80.5 Ų | 80.5 | 62% | 0.62 | 42% | 0.417 | S | S | * | . | trans | -131.4 | 94.2 | -175.9 | -70 | -12.4 | 0 | 0 | 0 | 110.3 | P393 I397 | P393-N395 PolarHBondContact O-N 2.72Å; N395-I397 HydrophobicContact CB-CD1 4.38Å; N395-I397 PolarHBondContact O-N 3.44Å | ||
| 396 | F | 43.3 | Very low | 41.6 | Very low | 24 Ų | 24 | 77.2 Ų | 77.2 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | trans | -90.1 | 39.8 | 175.8 | -136.4 | -81.8 | 0 | 0 | 0 | 111.6 | I409 L447 M491 V500 | F396-I409 HydrophobicContact CE2-CD1 4.2Å; F396-I409 HydrophobicContact CE2-CG1 4.01Å; F396-I409 HydrophobicContact CZ-CD1 3.63Å; F396-I409 HydrophobicContact CZ-CG1 3.96Å; F396-L447 HydrophobicContact CD2-CD1 3.88Å; F396-L447 HydrophobicContact CE2-CD1 3.7Å; F396-L447 HydrophobicContact CZ-CD1 4.25Å; F396-M491 HydrophobicContact CE1-CG 3.76Å; F396-M491 HydrophobicContact CE1-SD 3.79Å; F396-M491 HydrophobicContact CZ-CG 4.33Å; F396-M491 HydrophobicContact CZ-SD 3.86Å; F396-V500 HydrophobicContact CE1-CG2 4.36Å | ||
| 397 | I | 45.2 | Very low | 42.5 | Very low | 77 Ų | 77 | 75.4 Ų | 75.4 | 40% | 0.395 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81 | -55.4 | -163.9 | -66.6 | 172.3 | 0 | 0 | 0 | 111.1 | N395 | N395-I397 HydrophobicContact CB-CD1 4.38Å; N395-I397 PolarHBondContact O-N 3.44Å |
| 398 | L | 43.3 | Very low | 43.2 | Very low | 73 Ų | 73 | 72 Ų | 72 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | trans | -152.7 | 132.7 | 173.9 | -84 | 89.5 | 0 | 0 | 0 | 107.9 | L469 E473 | L398-L469 HydrophobicContact CD2-CB 3.59Å; L398-L469 HydrophobicContact CD2-CD1 4.02Å; L398-L469 HydrophobicContact CD2-CD2 4.06Å; L398-L469 HydrophobicContact CD2-CG 4.08Å; L398-L469 HydrophobicContact CG-CD2 4.3Å; L398-E473 HydrophobicContact CD1-CB 4.36Å; L398-E473 HydrophobicContact CD1-CG 4.28Å | ||
| 399 | M | 48.9 | Very low | 43.9 | Very low | 46 Ų | 46 | 70.7 Ų | 70.7 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -135.8 | 113.6 | 176.5 | -70.2 | -92.2 | 164.7 | 0 | 0 | 110.4 | D401 S405 R408 L492 | M399-D401 PolarHBondContact O-N 3.36Å; M399-S405 WeakPolarHBondContact CB-OG 3.44Å; M399-S405 VanDerWaalsContact CG-OG 3.3Å; M399-S405 WeakPolarHBondContact CG-OG 3.34Å; M399-R408 VanDerWaalsContact SD-CZ 3.52Å; M399-R408 PolarHBondContact SD-NH1 3.14Å; M399-R408 PolarHBondContact SD-NH2 3.06Å; M399-L492 PolarHBondContact O-N 3.29Å | ||
| 400 | E | 48 | Very low | 44.7 | Very low | 140 Ų | 140 | 65.8 Ų | 65.8 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -66 | -19.1 | 172.8 | -67.7 | -173.1 | 149.1 | 0 | 0 | 113.2 | L492 | E400-L492 CarbonylContact C-O 3.54Š|
| 401 | D | 52.2 | Low | 44.9 | Very low | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 36% | 0.356 | S | S | . | . | trans | -108.3 | 88.9 | -176.4 | -73.8 | -30.7 | 0 | 0 | 0 | 112.5 | M399 V403 R404 S405 | M399-D401 PolarHBondContact O-N 3.36Å; D401-V403 VanDerWaalsContact C-N 3.29Å; D401-V403 PolarHBondContact O-N 2.96Å; D401-R404 HydrophobicContact CB-CB 3.89Å; D401-R404 HydrophobicContact CB-CG 4.1Å; D401-R404 PolarHBondContact O-N 3.03Å; D401-R404 VanDerWaalsContact O-N 3.14Å; D401-R404 WeakPolarHBondContact OD2-CD 3.42Å; D401-R404 IonicContact OD2-CZ 3.93Å; D401-R404 VanDerWaalsContact OD2-CZ 3.3Å; D401-R404 IonicContact OD2-NE 3.1Å; D401-R404 IonicContact OD2-NH1 2.63Å; D401-R404 PolarHBondContact OD2-NH1 3.41Å; D401-S405 PolarHBondContact O-N 2.84Å; D401-S405 PolarHBondContact O-OG 3.3Å | ||
| 402 | F | 53 | Low | 45.1 | Very low | 3 Ų | 3 | 76.8 Ų | 76.8 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -51.3 | -43 | 173.3 | 176.5 | -93.3 | 0 | 0 | 0 | 113.8 | R404 S405 V406 L427 R428 L431 M491 L492 D493 V498 | F402-R404 VanDerWaalsContact C-N 3.35Å; F402-R404 PolarHBondContact O-N 2.82Å; F402-S405 PolarHBondContact O-N 2.75Å; F402-V406 HydrophobicContact CD1-CG2 3.89Å; F402-V406 HydrophobicContact CD2-CG2 4.07Å; F402-V406 HydrophobicContact CE1-CB 4.5Å; F402-V406 HydrophobicContact CE1-CG2 3.51Å; F402-V406 HydrophobicContact CE2-CG2 3.71Å; F402-V406 HydrophobicContact CG-CG2 4.14Å; F402-V406 HydrophobicContact CZ-CG2 3.41Å; F402-V406 VanDerWaalsContact CZ-CG2 3.41Å; F402-V406 WeakPolarHBondContact O-CB 3.47Å; F402-V406 VanDerWaalsContact O-CG2 3.32Å; F402-V406 WeakPolarHBondContact O-CG2 3.39Å; F402-V406 PolarHBondContact O-N 3.43Å; F402-L427 HydrophobicContact CZ-CD2 4.48Å; F402-L427 HydrophobicContact CZ-CG 4.46Å; F402-R428 HydrophobicContact CE1-CB 3.87Å; F402-R428 HydrophobicContact CE1-CG 4.19Å; F402-R428 HydrophobicContact CZ-CB 4.32Å; F402-L431 HydrophobicContact CE2-CD1 3.56Å; F402-L431 HydrophobicContact CZ-CD1 3.65Å; F402-M491 HydrophobicContact CD2-CB 4.43Å; F402-M491 HydrophobicContact CD2-CE 3.41Å; F402-M491 VanDerWaalsContact CD2-CE 3.41Å; F402-M491 HydrophobicContact CE2-CE 3.75Å; F402-M491 HydrophobicContact CG-CE 4.14Å; F402-L492 WeakPolarHBondContact CB-O 3.29Å; F402-L492 PolarHBondContact N-O 2.81Å; F402-D493 HydrophobicContact CB-CB 3.24Å; F402-D493 HydrophobicContact CD1-CB 4.03Å; F402-D493 HydrophobicContact CD2-CB 3.95Å; F402-D493 HydrophobicContact CG-CB 3.5Å; F402-D493 VanDerWaalsContact CG-CB 3.5Å; F402-V498 HydrophobicContact CD2-CG2 4.37Å; F402-V498 HydrophobicContact CE2-CG2 4.13Å |
| 403 | V | 50.4 | Low | 45.1 | Very low | 91 Ų | 91 | 73.1 Ų | 73.1 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | D401 S407 | D401-V403 VanDerWaalsContact C-N 3.29Å; D401-V403 PolarHBondContact O-N 2.96Å; V403-S407 WeakPolarHBondContact O-CA 3.44Å; V403-S407 WeakPolarHBondContact O-CB 3.33Å; V403-S407 PolarHBondContact O-N 2.92Å |
| 404 | R | 51.9 | Low | 45.4 | Very low | 153 Ų | 153 | 72.6 Ų | 72.6 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 174.5 | -76.6 | -177.2 | -176.2 | 155 | -6 | 111.3 | D401 F402 S407 R408 | D401-R404 HydrophobicContact CB-CB 3.89Å; D401-R404 HydrophobicContact CB-CG 4.1Å; D401-R404 PolarHBondContact O-N 3.03Å; D401-R404 VanDerWaalsContact O-N 3.14Å; D401-R404 WeakPolarHBondContact OD2-CD 3.42Å; D401-R404 IonicContact OD2-CZ 3.93Å; D401-R404 VanDerWaalsContact OD2-CZ 3.3Å; D401-R404 IonicContact OD2-NE 3.1Å; D401-R404 IonicContact OD2-NH1 2.63Å; D401-R404 PolarHBondContact OD2-NH1 3.41Å; F402-R404 VanDerWaalsContact C-N 3.35Å; F402-R404 PolarHBondContact O-N 2.82Å; R404-S407 PolarHBondContact O-N 3.44Å; R404-R408 WeakPolarHBondContact O-CB 3.4Å; R404-R408 VanDerWaalsContact O-CG 3.31Å; R404-R408 WeakPolarHBondContact O-CG 3.01Å; R404-R408 PolarHBondContact O-N 3.33Å |
| 405 | S | 54.6 | Low | 45.5 | Very low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 178.7 | -65 | 0 | 0 | 0 | 0 | 111.9 | M399 D401 F402 R408 I409 | M399-S405 WeakPolarHBondContact CB-OG 3.44Å; M399-S405 VanDerWaalsContact CG-OG 3.3Å; M399-S405 WeakPolarHBondContact CG-OG 3.34Å; D401-S405 PolarHBondContact O-N 2.84Å; D401-S405 PolarHBondContact O-OG 3.3Å; F402-S405 PolarHBondContact O-N 2.75Å; S405-R408 PolarHBondContact O-N 2.77Å; S405-I409 WeakPolarHBondContact O-CB 3.27Å; S405-I409 VanDerWaalsContact O-CG1 3.23Å; S405-I409 WeakPolarHBondContact O-CG1 3.36Å; S405-I409 PolarHBondContact O-N 3.21Å |
| 406 | V | 54.5 | Low | 45.9 | Very low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 172.5 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | F402 R408 I409 V410 A424 L427 M491 | F402-V406 HydrophobicContact CD1-CG2 3.89Å; F402-V406 HydrophobicContact CD2-CG2 4.07Å; F402-V406 HydrophobicContact CE1-CB 4.5Å; F402-V406 HydrophobicContact CE1-CG2 3.51Å; F402-V406 HydrophobicContact CE2-CG2 3.71Å; F402-V406 HydrophobicContact CG-CG2 4.14Å; F402-V406 HydrophobicContact CZ-CG2 3.41Å; F402-V406 VanDerWaalsContact CZ-CG2 3.41Å; F402-V406 WeakPolarHBondContact O-CB 3.47Å; F402-V406 VanDerWaalsContact O-CG2 3.32Å; F402-V406 WeakPolarHBondContact O-CG2 3.39Å; F402-V406 PolarHBondContact O-N 3.43Å; V406-R408 PolarHBondContact O-N 2.91Å; V406-I409 WeakPolarHBondContact O-CB 3.4Å; V406-I409 PolarHBondContact O-N 2.94Å; V406-V410 HydrophobicContact CG1-CG2 3.96Å; V406-V410 VanDerWaalsContact O-CB 3.29Å; V406-V410 WeakPolarHBondContact O-CB 3.34Å; V406-V410 WeakPolarHBondContact O-CG2 3.36Å; V406-V410 PolarHBondContact O-N 3.09Å; V406-A424 HydrophobicContact CB-CB 4.39Å; V406-A424 HydrophobicContact CG1-CB 3.84Å; V406-L427 HydrophobicContact CB-CD2 4.38Å; V406-L427 HydrophobicContact CG1-CD2 3.72Å; V406-L427 HydrophobicContact CG2-CD2 3.71Å; V406-M491 HydrophobicContact CG2-CE 3.66Å |
| 407 | S | 49.1 | Very low | 45.6 | Very low | 41 Ų | 41 | 70.2 Ų | 70.2 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 174.1 | 177 | 0 | 0 | 0 | 0 | 111.2 | V403 R404 I409 V410 K411 | V403-S407 WeakPolarHBondContact O-CA 3.44Å; V403-S407 WeakPolarHBondContact O-CB 3.33Å; V403-S407 PolarHBondContact O-N 2.92Å; R404-S407 PolarHBondContact O-N 3.44Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-V410 PolarHBondContact O-N 2.95Å; S407-K411 WeakPolarHBondContact O-CA 3.39Å; S407-K411 WeakPolarHBondContact O-CB 3.43Å; S407-K411 WeakPolarHBondContact O-CG 3.31Å; S407-K411 PolarHBondContact O-N 3.07Å; S407-K411 WeakPolarHBondContact OG-CE 3.29Å |
| 408 | R | 47.7 | Very low | 45.4 | Very low | 77 Ų | 77 | 69.7 Ų | 69.7 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 176.9 | -75.2 | -168.4 | -123.6 | 112.7 | -6.2 | 112.3 | M399 R404 S405 V406 | M399-R408 VanDerWaalsContact SD-CZ 3.52Å; M399-R408 PolarHBondContact SD-NH1 3.14Å; M399-R408 PolarHBondContact SD-NH2 3.06Å; R404-R408 WeakPolarHBondContact O-CB 3.4Å; R404-R408 VanDerWaalsContact O-CG 3.31Å; R404-R408 WeakPolarHBondContact O-CG 3.01Å; R404-R408 PolarHBondContact O-N 3.33Å; S405-R408 PolarHBondContact O-N 2.77Å; V406-R408 PolarHBondContact O-N 2.91Å |
| 409 | I | 47.6 | Very low | 45.3 | Very low | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.1 | -57.3 | 171.7 | -84.7 | 173.7 | 0 | 0 | 0 | 108.4 | V390 Y391 F396 S405 V406 S407 K411 M491 | V390-I409 CarbonylContact C-O 3.59Å; V390-I409 WeakPolarHBondContact CA-O 3.44Å; V390-I409 HydrophobicContact CB-CB 4.38Å; V390-I409 HydrophobicContact CB-CG2 3.87Å; V390-I409 WeakPolarHBondContact CB-O 3.13Å; V390-I409 VanDerWaalsContact CG1-C 3.49Å; V390-I409 HydrophobicContact CG1-CB 3.6Å; V390-I409 HydrophobicContact CG1-CG1 3.76Å; V390-I409 HydrophobicContact CG1-CG2 3.52Å; V390-I409 WeakPolarHBondContact CG1-O 3.33Å; V390-I409 HydrophobicContact CG2-CB 4.11Å; V390-I409 HydrophobicContact CG2-CG2 3.17Å; V390-I409 VanDerWaalsContact CG2-O 3.24Å; V390-I409 WeakPolarHBondContact CG2-O 3.44Å; Y391-I409 PolarHBondContact N-O 3.2Å; F396-I409 HydrophobicContact CE2-CD1 4.2Å; F396-I409 HydrophobicContact CE2-CG1 4.01Å; F396-I409 HydrophobicContact CZ-CD1 3.63Å; F396-I409 HydrophobicContact CZ-CG1 3.96Å; S405-I409 WeakPolarHBondContact O-CB 3.27Å; S405-I409 VanDerWaalsContact O-CG1 3.23Å; S405-I409 WeakPolarHBondContact O-CG1 3.36Å; S405-I409 PolarHBondContact O-N 3.21Å; V406-I409 WeakPolarHBondContact O-CB 3.4Å; V406-I409 PolarHBondContact O-N 2.94Å; S407-I409 VanDerWaalsContact C-N 3.34Å; I409-K411 PolarHBondContact O-N 3.46Å; I409-M491 HydrophobicContact CD1-CE 4.34Å; I409-M491 HydrophobicContact CD1-SD 3.85Å |
| 410 | V | 48 | Very low | 44.8 | Very low | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.6 | -21.6 | -173.2 | 174.7 | 0 | 0 | 0 | 0 | 113.6 | L388 V406 S407 R412 W417 | L388-V410 HydrophobicContact CD2-CG2 3.64Å; V406-V410 HydrophobicContact CG1-CG2 3.96Å; V406-V410 VanDerWaalsContact O-CB 3.29Å; V406-V410 WeakPolarHBondContact O-CB 3.34Å; V406-V410 WeakPolarHBondContact O-CG2 3.36Å; V406-V410 PolarHBondContact O-N 3.09Å; S407-V410 PolarHBondContact O-N 2.95Å; V410-R412 PolarHBondContact O-N 3.36Å; V410-W417 HydrophobicContact CG1-CB 3.49Å; V410-W417 VanDerWaalsContact CG1-CB 3.49Å; V410-W417 HydrophobicContact CG1-CE3 4.32Å; V410-W417 HydrophobicContact CG1-CG 4.32Å |
| 411 | K | 39.2 | Very low | 44.8 | Very low | 135 Ų | 135 | 75.1 Ų | 75.1 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 4.3 | -158 | -113.4 | 178.3 | 177.9 | 178.1 | 0 | 118.9 | S407 I409 | S407-K411 WeakPolarHBondContact O-CA 3.39Å; S407-K411 WeakPolarHBondContact O-CB 3.43Å; S407-K411 WeakPolarHBondContact O-CG 3.31Å; S407-K411 PolarHBondContact O-N 3.07Å; S407-K411 WeakPolarHBondContact OG-CE 3.29Å; I409-K411 PolarHBondContact O-N 3.46Å |
| 412 | R | 35 | Very low | 44.7 | Very low | 208 Ų | 208 | 77 Ų | 77 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 4.9 | 179.5 | -121.5 | 174.3 | -178.2 | 167.5 | -0.1 | 120.8 | V410 | V410-R412 PolarHBondContact O-N 3.36Š|
| 413 | N | 32.9 | Very low | 44.6 | Very low | 92 Ų | 92 | 77.2 Ų | 77.2 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -159.5 | 69.8 | 163.6 | -90.2 | -36.2 | 0 | 0 | 0 | 112.9 | Y391 | Y391-N413 HydrophobicContact CD2-CB 4.23Å; Y391-N413 HydrophobicContact CE2-CB 3.71Å; Y391-N413 WeakPolarHBondContact CE2-ND2 3.45Å |
| 414 | A | 39.7 | Very low | 44.9 | Very low | 38 Ų | 38 | 73.8 Ų | 73.8 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | trans | -152.5 | 106.9 | 134.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | I416 W417 | A414-I416 PolarHBondContact O-N 3.4Å; A414-W417 HydrophobicContact CB-CB 4.34Å; A414-W417 HydrophobicContact CB-CG 4.12Å; A414-W417 PolarHBondContact O-N 2.83Å | ||
| 415 | V | 40.4 | Very low | 45.4 | Very low | 108 Ų | 108 | 69.4 Ų | 69.4 | 66% | 0.655 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -1.8 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | F370 | F370-V415 HydrophobicContact CE1-CG1 3.85Å; F370-V415 HydrophobicContact CZ-CG1 3.78Å |
| 416 | I | 39 | Very low | 45.8 | Very low | 57 Ų | 57 | 74.2 Ų | 74.2 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -21.3 | 176.8 | -59.9 | 155.9 | 0 | 0 | 0 | 112.1 | R382 A414 | R382-I416 HydrophobicContact CB-CD1 4.05Å; R382-I416 HydrophobicContact CG-CD1 4.23Å; A414-I416 PolarHBondContact O-N 3.4Å |
| 417 | W | 37.9 | Very low | 46.5 | Very low | 34 Ų | 34 | 74.6 Ų | 74.6 | 13% | 0.129 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -13.3 | -167.6 | -68.3 | 53.9 | 0 | 0 | 0 | 114.9 | L388 V410 A414 D419 G423 K426 | L388-W417 HydrophobicContact CD1-CH2 3.62Å; L388-W417 HydrophobicContact CD1-CZ2 4.38Å; L388-W417 HydrophobicContact CD1-CZ3 3.76Å; L388-W417 HydrophobicContact CD2-CZ3 4.34Å; L388-W417 HydrophobicContact CG-CH2 4.33Å; L388-W417 HydrophobicContact CG-CZ3 4.2Å; V410-W417 HydrophobicContact CG1-CB 3.49Å; V410-W417 VanDerWaalsContact CG1-CB 3.49Å; V410-W417 HydrophobicContact CG1-CE3 4.32Å; V410-W417 HydrophobicContact CG1-CG 4.32Å; A414-W417 HydrophobicContact CB-CB 4.34Å; A414-W417 HydrophobicContact CB-CG 4.12Å; A414-W417 PolarHBondContact O-N 2.83Å; W417-D419 VanDerWaalsContact C-N 3.3Å; W417-D419 PolarHBondContact O-N 3.22Å; W417-G423 WeakPolarHBondContact CZ3-O 3.13Å; W417-K426 HydrophobicContact CH2-CD 4.43Å |
| 418 | S | 39.8 | Very low | 47.3 | Very low | 66 Ų | 66 | 76 Ų | 76 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -70.6 | -27.3 | -177.5 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 419 | D | 40.8 | Very low | 48.4 | Very low | 132 Ų | 132 | 81.1 Ų | 81.1 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -106.2 | -5.6 | -170.2 | -62.5 | 3.8 | 0 | 0 | 0 | 112.2 | W417 | W417-D419 VanDerWaalsContact C-N 3.3Å; W417-D419 PolarHBondContact O-N 3.22Å |
| 420 | Y | 40 | Very low | 49.7 | Very low | 134 Ų | 134 | 84.6 Ų | 84.6 | 53% | 0.525 | 42% | 0.415 | S | S | . | . | trans | -116.8 | 113.5 | 179.3 | -74.7 | -87.1 | 0 | 0 | 0 | 111.6 | E422 G423 | Y420-E422 PolarHBondContact O-N 3.32Å; Y420-G423 PolarHBondContact O-N 2.95Å | ||
| 421 | P | 47.4 | Very low | 51.1 | Low | 107 Ų | 107 | 83.9 Ų | 83.9 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8.4 | 172.4 | 22.7 | -31 | 0 | 0 | 0 | 113.6 | G423 T425 | P421-G423 VanDerWaalsContact C-N 3.33Å; P421-G423 PolarHBondContact O-N 3.41Å; P421-T425 PolarHBondContact O-N 3.49Å; P421-T425 PolarHBondContact O-OG1 2.94Å |
| 422 | E | 48.8 | Very low | 52.8 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -31.3 | 175.5 | -64 | -168.8 | 175.4 | 0 | 0 | 114.2 | Y420 T425 K426 | Y420-E422 PolarHBondContact O-N 3.32Å; E422-T425 VanDerWaalsContact C-OG1 3.31Å; E422-T425 WeakPolarHBondContact CA-OG1 3.26Å; E422-T425 PolarHBondContact O-N 3.29Å; E422-T425 PolarHBondContact O-OG1 3.48Å; E422-K426 WeakPolarHBondContact O-CB 3.25Å; E422-K426 PolarHBondContact O-N 2.92Å |
| 423 | G | 52.8 | Low | 54.7 | Low | 8 Ų | 8 | 74.4 Ų | 74.4 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W417 Y420 P421 K426 L427 | W417-G423 WeakPolarHBondContact CZ3-O 3.13Å; Y420-G423 PolarHBondContact O-N 2.95Å; P421-G423 VanDerWaalsContact C-N 3.33Å; P421-G423 PolarHBondContact O-N 3.41Å; G423-K426 PolarHBondContact O-N 2.95Å; G423-L427 PolarHBondContact O-N 2.89Å |
| 424 | A | 55.9 | Low | 56.6 | Low | 20 Ų | 20 | 70.8 Ų | 70.8 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V406 R428 | V406-A424 HydrophobicContact CB-CB 4.39Å; V406-A424 HydrophobicContact CG1-CB 3.84Å; A424-R428 WeakPolarHBondContact O-CB 3.28Å; A424-R428 PolarHBondContact O-N 3.4Å |
| 425 | T | 61.9 | Low | 58.1 | Low | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | P421 E422 R428 R429 | P421-T425 PolarHBondContact O-N 3.49Å; P421-T425 PolarHBondContact O-OG1 2.94Å; E422-T425 VanDerWaalsContact C-OG1 3.31Å; E422-T425 WeakPolarHBondContact CA-OG1 3.26Å; E422-T425 PolarHBondContact O-N 3.29Å; E422-T425 PolarHBondContact O-OG1 3.48Å; T425-R428 WeakPolarHBondContact O-CB 3.18Å; T425-R428 PolarHBondContact O-N 2.8Å; T425-R429 WeakPolarHBondContact O-CB 3.04Å; T425-R429 WeakPolarHBondContact O-CG 3.24Å; T425-R429 PolarHBondContact O-N 2.98Å |
| 426 | K | 63.5 | Low | 59.3 | Low | 101 Ų | 101 | 74 Ų | 74 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 173.2 | -172 | 176.7 | -177.1 | 176.5 | 0 | 112 | W417 E422 G423 R428 R429 Q430 | W417-K426 HydrophobicContact CH2-CD 4.43Å; E422-K426 WeakPolarHBondContact O-CB 3.25Å; E422-K426 PolarHBondContact O-N 2.92Å; G423-K426 PolarHBondContact O-N 2.95Å; K426-R428 VanDerWaalsContact C-N 3.3Å; K426-R428 PolarHBondContact O-N 3.47Å; K426-R429 PolarHBondContact O-N 3.07Å; K426-Q430 PolarHBondContact O-N 3.47Å |
| 427 | L | 68.7 | Low | 60.5 | Low | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.2 | -179.5 | 63.1 | 0 | 0 | 0 | 110.7 | F402 V406 G423 R429 Q430 L431 L443 L454 | F402-L427 HydrophobicContact CZ-CD2 4.48Å; F402-L427 HydrophobicContact CZ-CG 4.46Å; V406-L427 HydrophobicContact CB-CD2 4.38Å; V406-L427 HydrophobicContact CG1-CD2 3.72Å; V406-L427 HydrophobicContact CG2-CD2 3.71Å; G423-L427 PolarHBondContact O-N 2.89Å; L427-R429 PolarHBondContact O-N 3.29Å; L427-Q430 PolarHBondContact O-N 3.44Å; L427-L431 HydrophobicContact CD1-CD1 4.38Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.09Å; L427-L431 HydrophobicContact CG-CG 4.46Å; L427-L431 WeakPolarHBondContact O-CG 3.45Å; L427-L431 PolarHBondContact O-N 2.74Å; L427-L443 HydrophobicContact CD1-CD2 3.36Å; L427-L454 HydrophobicContact CD1-CD1 4.39Å |
| 428 | R | 67.3 | Low | 61.4 | Low | 72 Ų | 72 | 79.5 Ų | 79.5 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.4 | -170.2 | -179.9 | -178.3 | -131.7 | -12.2 | 112 | F402 A424 T425 K426 L431 L432 D493 | F402-R428 HydrophobicContact CE1-CB 3.87Å; F402-R428 HydrophobicContact CE1-CG 4.19Å; F402-R428 HydrophobicContact CZ-CB 4.32Å; A424-R428 WeakPolarHBondContact O-CB 3.28Å; A424-R428 PolarHBondContact O-N 3.4Å; T425-R428 WeakPolarHBondContact O-CB 3.18Å; T425-R428 PolarHBondContact O-N 2.8Å; K426-R428 VanDerWaalsContact C-N 3.3Å; K426-R428 PolarHBondContact O-N 3.47Å; R428-L431 PolarHBondContact O-N 3.47Å; R428-L432 HydrophobicContact CG-CD1 4.12Å; R428-L432 WeakPolarHBondContact O-CB 3.01Å; R428-L432 VanDerWaalsContact O-CG 3.28Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 2.82Å; R428-D493 VanDerWaalsContact CD-OD2 3.26Å; R428-D493 WeakPolarHBondContact CD-OD2 3.21Å; R428-D493 IonicContact CZ-OD2 2.8Å; R428-D493 IonicContact NE-OD2 3.56Å; R428-D493 PolarHBondContact NE-OD2 2.85Å |
| 429 | R | 70.2 | Confident | 62.4 | Low | 183 Ų | 183 | 78.7 Ų | 78.7 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 175.2 | -77.2 | 177.2 | -176.1 | 169.8 | 2.8 | 111.5 | T425 K426 L427 L431 L432 V433 | T425-R429 WeakPolarHBondContact O-CB 3.04Å; T425-R429 WeakPolarHBondContact O-CG 3.24Å; T425-R429 PolarHBondContact O-N 2.98Å; K426-R429 PolarHBondContact O-N 3.07Å; L427-R429 PolarHBondContact O-N 3.29Å; R429-L431 PolarHBondContact O-N 2.93Å; R429-L432 PolarHBondContact O-N 3.26Å; R429-V433 WeakPolarHBondContact O-CB 3.32Å; R429-V433 VanDerWaalsContact O-CG2 3.24Å; R429-V433 WeakPolarHBondContact O-CG2 3.33Å; R429-V433 PolarHBondContact O-N 2.88Å |
| 430 | Q | 74 | Confident | 63.6 | Low | 86 Ų | 86 | 73.3 Ų | 73.3 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.5 | -74 | -176.8 | -26.3 | 0 | 0 | 112.6 | K426 L427 V433 Q434 | K426-Q430 PolarHBondContact O-N 3.47Å; L427-Q430 PolarHBondContact O-N 3.44Å; Q430-V433 PolarHBondContact O-N 3.37Å; Q430-Q434 PolarHBondContact O-N 3.18Å; Q430-Q434 VanDerWaalsContact O-N 3.1Å |
| 431 | L | 78.5 | Confident | 65 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 176.1 | -68.9 | 175.6 | 0 | 0 | 0 | 112 | F402 L427 R428 R429 V433 Q434 C435 L443 L454 A456 L496 V498 | F402-L431 HydrophobicContact CE2-CD1 3.56Å; F402-L431 HydrophobicContact CZ-CD1 3.65Å; L427-L431 HydrophobicContact CD1-CD1 4.38Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.09Å; L427-L431 HydrophobicContact CG-CG 4.46Å; L427-L431 WeakPolarHBondContact O-CG 3.45Å; L427-L431 PolarHBondContact O-N 2.74Å; R428-L431 PolarHBondContact O-N 3.47Å; R429-L431 PolarHBondContact O-N 2.93Å; L431-V433 VanDerWaalsContact C-N 3.3Å; L431-V433 PolarHBondContact O-N 2.82Å; L431-Q434 WeakPolarHBondContact O-CB 3.49Å; L431-Q434 PolarHBondContact O-N 3.24Å; L431-C435 PolarHBondContact O-N 3.45Å; L431-L443 HydrophobicContact CD2-CD2 4Å; L431-L443 HydrophobicContact CG-CD2 4.47Å; L431-L454 HydrophobicContact CD2-CB 3.89Å; L431-L454 HydrophobicContact CD2-CD1 4.47Å; L431-A456 HydrophobicContact CB-CB 3.82Å; L431-A456 HydrophobicContact CD2-CB 4.16Å; L431-A456 WeakPolarHBondContact O-CB 3.41Å; L431-L496 HydrophobicContact CB-CD2 4.1Å; L431-V498 HydrophobicContact CD1-CG1 4.11Å; L431-V498 HydrophobicContact CD1-CG2 4.01Å; L431-V498 HydrophobicContact CD2-CG1 4.41Å |
| 432 | L | 75.3 | Confident | 66.3 | Low | 68 Ų | 68 | 67.5 Ų | 67.5 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 172.5 | -76.2 | 167.4 | 0 | 0 | 0 | 111.6 | R428 R429 Q434 C435 F436 L496 | R428-L432 HydrophobicContact CG-CD1 4.12Å; R428-L432 WeakPolarHBondContact O-CB 3.01Å; R428-L432 VanDerWaalsContact O-CG 3.28Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 2.82Å; R429-L432 PolarHBondContact O-N 3.26Å; L432-Q434 VanDerWaalsContact C-N 3.3Å; L432-Q434 PolarHBondContact O-N 3.01Å; L432-C435 WeakPolarHBondContact O-CB 3.33Å; L432-C435 PolarHBondContact O-N 2.76Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å; L432-F436 WeakPolarHBondContact O-CE2 3.39Å; L432-L496 HydrophobicContact CD2-CD1 4.03Å; L432-L496 HydrophobicContact CD2-CD2 4.37Å; L432-L496 HydrophobicContact CG-CD2 4.4Å |
| 433 | V | 73.5 | Confident | 67.5 | Low | 76 Ų | 76 | 63.8 Ų | 63.8 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 175.5 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | R429 Q430 L431 C435 F436 F437 | R429-V433 WeakPolarHBondContact O-CB 3.32Å; R429-V433 VanDerWaalsContact O-CG2 3.24Å; R429-V433 WeakPolarHBondContact O-CG2 3.33Å; R429-V433 PolarHBondContact O-N 2.88Å; Q430-V433 PolarHBondContact O-N 3.37Å; L431-V433 VanDerWaalsContact C-N 3.3Å; L431-V433 PolarHBondContact O-N 2.82Å; V433-C435 VanDerWaalsContact C-N 3.25Å; V433-C435 PolarHBondContact O-N 3.5Å; V433-F436 PolarHBondContact O-N 3.22Å; V433-F437 HydrophobicContact CG1-CD2 4.25Å; V433-F437 HydrophobicContact CG1-CE2 3.59Å; V433-F437 VanDerWaalsContact O-CD2 3.28Å; V433-F437 WeakPolarHBondContact O-CD2 3.37Å |
| 434 | Q | 73.9 | Confident | 68.3 | Low | 15 Ų | 15 | 67 Ų | 67 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.6 | -37.2 | 174.6 | -75.7 | -174 | -34.4 | 0 | 0 | 112.5 | Q430 L431 L432 F436 F437 P440 A441 L454 | Q430-Q434 PolarHBondContact O-N 3.18Å; Q430-Q434 VanDerWaalsContact O-N 3.1Å; L431-Q434 WeakPolarHBondContact O-CB 3.49Å; L431-Q434 PolarHBondContact O-N 3.24Å; L432-Q434 VanDerWaalsContact C-N 3.3Å; L432-Q434 PolarHBondContact O-N 3.01Å; Q434-F436 PolarHBondContact O-N 3.14Å; Q434-F436 VanDerWaalsContact O-N 3.1Å; Q434-F437 PolarHBondContact O-N 2.85Å; Q434-F437 VanDerWaalsContact O-N 3.1Å; Q434-P440 HydrophobicContact CB-CB 4.35Å; Q434-P440 HydrophobicContact CB-CG 3.94Å; Q434-P440 HydrophobicContact CG-CB 4.2Å; Q434-P440 HydrophobicContact CG-CG 4.25Å; Q434-P440 WeakPolarHBondContact O-CG 3.14Å; Q434-A441 PolarHBondContact NE2-O 3.17Å; Q434-L454 PolarHBondContact NE2-O 3.41Å; Q434-L454 PolarHBondContact OE1-O 2.91Å |
| 435 | C | 69.9 | Low | 68.6 | Low | 40 Ų | 40 | 66.7 Ų | 66.7 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.1 | -178.6 | -61 | 0 | 0 | 0 | 0 | 114.3 | L431 L432 V433 A456 K458 L496 | L431-C435 PolarHBondContact O-N 3.45Å; L432-C435 WeakPolarHBondContact O-CB 3.33Å; L432-C435 PolarHBondContact O-N 2.76Å; V433-C435 VanDerWaalsContact C-N 3.25Å; V433-C435 PolarHBondContact O-N 3.5Å; C435-A456 VanDerWaalsContact SG-C 3.58Å; C435-A456 PolarHBondContact SG-O 3.15Å; C435-K458 HydrophobicContact CB-CB 4.47Å; C435-L496 WeakPolarHBondContact SG-CD1 3.36Å |
| 436 | F | 66.1 | Low | 68.5 | Low | 175 Ų | 175 | 68.4 Ų | 68.4 | 77% | 0.768 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -9.6 | 178.1 | -63.7 | -79.3 | 0 | 0 | 0 | 113.7 | L432 V433 Q434 | L432-F436 WeakPolarHBondContact O-CD2 3.43Å; L432-F436 WeakPolarHBondContact O-CE2 3.39Å; V433-F436 PolarHBondContact O-N 3.22Å; Q434-F436 PolarHBondContact O-N 3.14Å; Q434-F436 VanDerWaalsContact O-N 3.1Å |
| 437 | F | 63.4 | Low | 68 | Low | 133 Ų | 133 | 64.2 Ų | 64.2 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -100.3 | 141.7 | -179.4 | -69.6 | -68.9 | 0 | 0 | 0 | 111 | V433 Q434 N439 P440 | V433-F437 HydrophobicContact CG1-CD2 4.25Å; V433-F437 HydrophobicContact CG1-CE2 3.59Å; V433-F437 VanDerWaalsContact O-CD2 3.28Å; V433-F437 WeakPolarHBondContact O-CD2 3.37Å; Q434-F437 PolarHBondContact O-N 2.85Å; Q434-F437 VanDerWaalsContact O-N 3.1Å; F437-N439 PolarHBondContact O-N 2.98Å; F437-P440 HydrophobicContact CB-CB 4.03Å; F437-P440 HydrophobicContact CB-CG 4.28Å; F437-P440 WeakPolarHBondContact O-CD 3.45Å |
| 438 | H | 58.7 | Low | 67.2 | Low | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -73.1 | 117.5 | 168.1 | -164.6 | -65.7 | 0 | 0 | 0 | 108.8 | ||
| 439 | N | 60.3 | Low | 66.3 | Low | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 49.2 | 54.9 | -179.9 | -152.2 | -0.2 | 0 | 0 | 0 | 116.6 | F437 R455 D569 | F437-N439 PolarHBondContact O-N 2.98Å; N439-R455 PolarHBondContact OD1-NH1 3.44Å; N439-D569 VanDerWaalsContact CG-CG 3.42Å; N439-D569 PolarHBondContact ND2-OD2 3.12Å; N439-D569 PolarHBondContact OD1-OD1 3.24Å; N439-D569 PolarHBondContact OD1-OD2 3.04Å |
| 440 | P | 66.6 | Low | 65.7 | Low | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.4 | 176.5 | 26.1 | -39.6 | 0 | 0 | 0 | 112.9 | Q434 F437 L442 R455 | Q434-P440 HydrophobicContact CB-CB 4.35Å; Q434-P440 HydrophobicContact CB-CG 3.94Å; Q434-P440 HydrophobicContact CG-CB 4.2Å; Q434-P440 HydrophobicContact CG-CG 4.25Å; Q434-P440 WeakPolarHBondContact O-CG 3.14Å; F437-P440 HydrophobicContact CB-CB 4.03Å; F437-P440 HydrophobicContact CB-CG 4.28Å; F437-P440 WeakPolarHBondContact O-CD 3.45Å; P440-L442 PolarHBondContact O-N 3.45Å; P440-R455 VanDerWaalsContact CG-CZ 3.49Å; P440-R455 VanDerWaalsContact N-NH1 3.18Å; P440-R455 PolarHBondContact O-NH1 3.26Å |
| 441 | A | 67.9 | Low | 65.3 | Low | 89 Ų | 89 | 59.7 Ų | 59.7 | 74% | 0.736 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 139.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q434 L443 | Q434-A441 PolarHBondContact NE2-O 3.17Å; A441-L443 PolarHBondContact O-N 3.21Å |
| 442 | L | 74.2 | Confident | 65 | Low | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 129.8 | 173.9 | -74.3 | 173.1 | 0 | 0 | 0 | 110.2 | P440 P444 R455 F501 T568 | P440-L442 PolarHBondContact O-N 3.45Å; L442-P444 VanDerWaalsContact O-CD 3.24Å; L442-P444 WeakPolarHBondContact O-CD 3.39Å; L442-R455 HydrophobicContact CD2-CB 3.91Å; L442-F501 HydrophobicContact CD1-CB 4.36Å; L442-F501 HydrophobicContact CD2-CD2 3.78Å; L442-F501 HydrophobicContact CD2-CE2 4.45Å; L442-T568 HydrophobicContact CD1-CG2 4.11Å; L442-T568 HydrophobicContact CD2-CG2 3.59Å; L442-T568 HydrophobicContact CG-CG2 3.83Å |
| 443 | L | 75.3 | Confident | 65.3 | Low | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 116.8 | 175.2 | -176.6 | 73.7 | 0 | 0 | 0 | 107.9 | L427 L431 A441 C445 G453 L454 | L427-L443 HydrophobicContact CD1-CD2 3.36Å; L431-L443 HydrophobicContact CD2-CD2 4Å; L431-L443 HydrophobicContact CG-CD2 4.47Å; A441-L443 PolarHBondContact O-N 3.21Å; L443-C445 PolarHBondContact O-N 2.8Å; L443-G453 WeakPolarHBondContact O-CA 3.29Å; L443-L454 HydrophobicContact CB-CB 4.24Å; L443-L454 HydrophobicContact CD2-CD1 4.41Å; L443-L454 PolarHBondContact N-O 3.26Å; L443-L454 PolarHBondContact O-N 3.29Å |
| 444 | P | 68.7 | Low | 65.7 | Low | 75 Ų | 75 | 53.2 Ų | 53.2 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126.4 | -177.7 | 28.9 | -33.7 | 0 | 0 | 0 | 110.6 | L442 A504 | L442-P444 VanDerWaalsContact O-CD 3.24Å; L442-P444 WeakPolarHBondContact O-CD 3.39Å; P444-A504 HydrophobicContact CB-CB 3.85Å |
| 445 | C | 63.5 | Low | 66.2 | Low | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 176 | 165.8 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | L443 V452 L454 | L443-C445 PolarHBondContact O-N 2.8Å; C445-V452 CarbonylContact C-O 3.48Å; C445-V452 PolarHBondContact N-O 3.39Å; C445-V452 PolarHBondContact O-N 2.65Å; C445-V452 WeakPolarHBondContact SG-CG2 3.4Å; C445-L454 HydrophobicContact CB-CD1 4.49Å; C445-L454 VanDerWaalsContact SG-CG 3.51Å |
| 446 | Y | 58.2 | Low | 66.9 | Low | 98 Ų | 98 | 51.1 Ų | 51.1 | 38% | 0.384 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.7 | 176 | -72 | -91 | 0 | 0 | 0 | 108.5 | V390 S450 P451 | V390-Y446 WeakPolarHBondContact CB-O 3.14Å; V390-Y446 WeakPolarHBondContact CG1-O 3.12Å; Y446-S450 CarbonylContact C-O 3.49Å; Y446-S450 WeakPolarHBondContact CA-O 3.2Å; Y446-P451 HydrophobicContact CD1-CB 4.41Å; Y446-P451 HydrophobicContact CE1-CB 4.14Å |
| 447 | L | 54.4 | Low | 67.8 | Low | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.3 | 172.2 | -174.3 | 80.9 | 0 | 0 | 0 | 107.5 | F396 G449 S450 V452 I488 V500 | F396-L447 HydrophobicContact CD2-CD1 3.88Å; F396-L447 HydrophobicContact CE2-CD1 3.7Å; F396-L447 HydrophobicContact CZ-CD1 4.25Å; L447-G449 PolarHBondContact O-N 2.7Å; L447-G449 VanDerWaalsContact O-N 3.11Å; L447-S450 PolarHBondContact N-O 3.34Å; L447-S450 WeakPolarHBondContact O-CB 3.13Å; L447-S450 PolarHBondContact O-N 3.13Å; L447-V452 HydrophobicContact CB-CB 4.27Å; L447-V452 HydrophobicContact CB-CG1 3.72Å; L447-V452 HydrophobicContact CB-CG2 3.51Å; L447-V452 HydrophobicContact CD2-CG1 4.47Å; L447-I488 HydrophobicContact CD2-CG2 3.72Å; L447-V500 HydrophobicContact CD2-CG1 4.44Å |
| 448 | H | 51.2 | Low | 68.8 | Low | 84 Ų | 84 | 41.6 Ų | 41.6 | 39% | 0.389 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 23.7 | -174.1 | -53.3 | -68.9 | 0 | 0 | 0 | 114.8 | K392 P393 S450 | K392-H448 VanDerWaalsContact CG-ND1 3.33Å; K392-H448 WeakPolarHBondContact CG-ND1 3.12Å; P393-H448 PolarHBondContact O-CE1 3.49Å; H448-S450 VanDerWaalsContact C-N 3.27Å |
| 449 | G | 49.5 | Very low | 70 | Confident | 53 Ų | 53 | 38.5 Ų | 38.5 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -8.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L447 | L447-G449 PolarHBondContact O-N 2.7Å; L447-G449 VanDerWaalsContact O-N 3.11Å |
| 450 | S | 57 | Low | 71.1 | Confident | 69 Ų | 69 | 39.6 Ų | 39.6 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137 | 172.1 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | Y446 L447 H448 V452 | Y446-S450 CarbonylContact C-O 3.49Å; Y446-S450 WeakPolarHBondContact CA-O 3.2Å; L447-S450 PolarHBondContact N-O 3.34Å; L447-S450 WeakPolarHBondContact O-CB 3.13Å; L447-S450 PolarHBondContact O-N 3.13Å; H448-S450 VanDerWaalsContact C-N 3.27Å; S450-V452 PolarHBondContact O-N 3.33Å |
| 451 | P | 65.4 | Low | 71.6 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.2 | 174 | 28.5 | -33.2 | 0 | 0 | 0 | 110.3 | Y446 G503 | Y446-P451 HydrophobicContact CD1-CB 4.41Å; Y446-P451 HydrophobicContact CE1-CB 4.14Å; P451-G503 PolarHBondContact O-N 3.32Å; P451-G503 VanDerWaalsContact O-N 3.09Å |
| 452 | V | 72.8 | Confident | 72.1 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152 | 179.1 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | C445 L447 S450 I488 V500 F501 A504 | C445-V452 CarbonylContact C-O 3.48Å; C445-V452 PolarHBondContact N-O 3.39Å; C445-V452 PolarHBondContact O-N 2.65Å; C445-V452 WeakPolarHBondContact SG-CG2 3.4Å; L447-V452 HydrophobicContact CB-CB 4.27Å; L447-V452 HydrophobicContact CB-CG1 3.72Å; L447-V452 HydrophobicContact CB-CG2 3.51Å; L447-V452 HydrophobicContact CD2-CG1 4.47Å; S450-V452 PolarHBondContact O-N 3.33Å; V452-I488 HydrophobicContact CB-CD1 4.17Å; V452-I488 HydrophobicContact CG1-CD1 3.32Å; V452-V500 HydrophobicContact CB-CG1 4.1Å; V452-V500 HydrophobicContact CG2-CG1 4Å; V452-F501 CarbonylContact C-O 3.59Å; V452-F501 WeakPolarHBondContact CA-O 3.29Å; V452-F501 WeakPolarHBondContact CB-O 3.43Å; V452-A504 WeakPolarHBondContact O-CB 3.4Å |
| 453 | G | 80.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L443 F501 | L443-G453 WeakPolarHBondContact O-CA 3.29Å; G453-F501 PolarHBondContact N-O 2.85Å; G453-F501 PolarHBondContact O-N 3.1Å |
| 454 | L | 82.5 | Confident | 72.7 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.5 | 171.1 | -53 | 174.8 | 0 | 0 | 0 | 110 | L427 L431 Q434 L443 C445 V498 A499 V500 | L427-L454 HydrophobicContact CD1-CD1 4.39Å; L431-L454 HydrophobicContact CD2-CB 3.89Å; L431-L454 HydrophobicContact CD2-CD1 4.47Å; Q434-L454 PolarHBondContact NE2-O 3.41Å; Q434-L454 PolarHBondContact OE1-O 2.91Å; L443-L454 HydrophobicContact CB-CB 4.24Å; L443-L454 HydrophobicContact CD2-CD1 4.41Å; L443-L454 PolarHBondContact N-O 3.26Å; L443-L454 PolarHBondContact O-N 3.29Å; C445-L454 HydrophobicContact CB-CD1 4.49Å; C445-L454 VanDerWaalsContact SG-CG 3.51Å; L454-V498 HydrophobicContact CB-CG1 4.21Å; L454-V498 HydrophobicContact CD2-CG1 4.37Å; L454-A499 WeakPolarHBondContact CA-O 3.33Å; L454-V500 HydrophobicContact CD2-CB 4.24Å; L454-V500 HydrophobicContact CD2-CG1 4.05Å; L454-V500 HydrophobicContact CD2-CG2 3.74Å |
| 455 | R | 84.6 | Confident | 73.1 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.5 | 168.3 | -178.5 | 58.2 | 175.4 | -102.1 | -21.8 | 109.3 | N439 P440 L442 F457 V498 A499 F501 D569 | N439-R455 PolarHBondContact OD1-NH1 3.44Å; P440-R455 VanDerWaalsContact CG-CZ 3.49Å; P440-R455 VanDerWaalsContact N-NH1 3.18Å; P440-R455 PolarHBondContact O-NH1 3.26Å; L442-R455 HydrophobicContact CD2-CB 3.91Å; R455-F457 HydrophobicContact CB-CE2 4.1Å; R455-F457 HydrophobicContact CB-CZ 4.33Å; R455-F457 HydrophobicContact CG-CD2 4.33Å; R455-F457 HydrophobicContact CG-CE1 4.08Å; R455-F457 HydrophobicContact CG-CE2 3.59Å; R455-F457 HydrophobicContact CG-CZ 3.46Å; R455-F457 VanDerWaalsContact CG-CZ 3.46Å; R455-V498 CarbonylContact O-C 3.41Å; R455-V498 WeakPolarHBondContact O-CA 3.29Å; R455-A499 PolarHBondContact N-O 2.94Å; R455-A499 PolarHBondContact O-N 2.89Å; R455-F501 HydrophobicContact CB-CD2 4.34Å; R455-F501 HydrophobicContact CB-CE2 3.95Å; R455-D569 IonicContact CZ-OD1 3.67Å; R455-D569 IonicContact NH1-OD1 3.69Å; R455-D569 IonicContact NH2-OD1 2.72Å; R455-D569 PolarHBondContact NH2-OD1 3.5Å; R455-D569 VanDerWaalsContact NH2-OD1 3.1Å |
| 456 | A | 84.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L431 C435 L496 Y497 V498 | L431-A456 HydrophobicContact CB-CB 3.82Å; L431-A456 HydrophobicContact CD2-CB 4.16Å; L431-A456 WeakPolarHBondContact O-CB 3.41Å; C435-A456 VanDerWaalsContact SG-C 3.58Å; C435-A456 PolarHBondContact SG-O 3.15Å; A456-L496 HydrophobicContact CB-CD1 3.8Å; A456-L496 HydrophobicContact CB-CD2 4.48Å; A456-L496 HydrophobicContact CB-CG 4.2Å; A456-Y497 CarbonylContact C-O 3.43Å; A456-Y497 WeakPolarHBondContact CA-O 3.43Å; A456-V498 HydrophobicContact CB-CG2 4.09Å |
| 457 | F | 84.5 | Confident | 75 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.6 | 178.8 | -54.3 | -91.7 | 0 | 0 | 0 | 108.7 | R455 L496 Y497 A499 T568 L573 C577 L579 | R455-F457 HydrophobicContact CB-CE2 4.1Å; R455-F457 HydrophobicContact CB-CZ 4.33Å; R455-F457 HydrophobicContact CG-CD2 4.33Å; R455-F457 HydrophobicContact CG-CE1 4.08Å; R455-F457 HydrophobicContact CG-CE2 3.59Å; R455-F457 HydrophobicContact CG-CZ 3.46Å; R455-F457 VanDerWaalsContact CG-CZ 3.46Å; F457-L496 CarbonylContact O-C 3.58Å; F457-L496 WeakPolarHBondContact O-CA 3.47Å; F457-Y497 HydrophobicContact CB-CD1 4.29Å; F457-Y497 AromaticContact CD2-CD1 3.6Å; F457-Y497 HydrophobicContact CD2-CD1 3.6Å; F457-Y497 HydrophobicContact CD2-CE1 4.09Å; F457-Y497 HydrophobicContact CE2-CD1 4.31Å; F457-Y497 HydrophobicContact CE2-CE1 4.36Å; F457-Y497 HydrophobicContact CG-CD1 4.28Å; F457-Y497 PolarHBondContact N-O 3.08Å; F457-Y497 PolarHBondContact O-N 3.46Å; F457-A499 HydrophobicContact CE2-CB 3.94Å; F457-T568 WeakPolarHBondContact CE1-O 3.46Å; F457-T568 WeakPolarHBondContact CZ-O 3.19Å; F457-L573 HydrophobicContact CD2-CD1 4.49Å; F457-L573 HydrophobicContact CE2-CD1 4.35Å; F457-L573 HydrophobicContact CZ-CD1 4.39Å; F457-C577 HydrophobicContact CB-CB 4.07Å; F457-L579 HydrophobicContact CD1-CD1 4.12Å; F457-L579 HydrophobicContact CD1-CD2 3.9Å; F457-L579 HydrophobicContact CD1-CG 4.14Å; F457-L579 HydrophobicContact CE1-CD1 4.38Å; F457-L579 HydrophobicContact CE1-CD2 3.94Å |
| 458 | K | 84.5 | Confident | 76.3 | Confident | 102 Ų | 102 | 55.1 Ų | 55.1 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.9 | 173.5 | -178.8 | 176.2 | 171.1 | -120.7 | 0 | 108.6 | C435 C577 D578 | C435-K458 HydrophobicContact CB-CB 4.47Å; K458-C577 CarbonylContact O-C 3.29Å; K458-C577 WeakPolarHBondContact O-CA 3.14Å; K458-C577 WeakPolarHBondContact O-CB 3.33Å; K458-D578 HydrophobicContact CB-CB 4.24Å; K458-D578 VanDerWaalsContact CD-OD2 3.29Å; K458-D578 WeakPolarHBondContact CD-OD2 3.43Å; K458-D578 VanDerWaalsContact CE-OD2 3.32Å; K458-D578 WeakPolarHBondContact CE-OD2 3.1Å; K458-D578 HydrophobicContact CG-CB 4.48Å; K458-D578 WeakPolarHBondContact CG-OD2 3.21Å; K458-D578 IonicContact NZ-OD2 3.83Å; K458-D578 PolarHBondContact NZ-OD2 2.97Å; K458-D578 PolarHBondContact O-N 3Å |
| 459 | M | 83.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 142.8 | 178.3 | -63.9 | 177.1 | 62.9 | 0 | 0 | 111.1 | T463 R465 L468 L492 R495 | M459-T463 WeakPolarHBondContact CE-OG1 3.27Å; M459-R465 HydrophobicContact CE-CG 3.96Å; M459-L468 HydrophobicContact CE-CD2 3.73Å; M459-L468 HydrophobicContact CG-CD2 4.09Å; M459-L468 HydrophobicContact SD-CD2 4Å; M459-L492 HydrophobicContact CE-CD1 4.4Å; M459-L492 HydrophobicContact SD-CD1 3.8Å; M459-L492 HydrophobicContact SD-CG 4.3Å; M459-R495 PolarHBondContact N-O 2.88Å |
| 460 | Q | 83.7 | Confident | 79.3 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 152 | 173.5 | -75.8 | 173.7 | 20.5 | 0 | 0 | 111.4 | G462 T463 A574 F576 C577 D578 | Q460-G462 PolarHBondContact O-N 3.24Å; Q460-T463 HydrophobicContact CB-CG2 3.69Å; Q460-T463 PolarHBondContact O-N 2.97Å; Q460-T463 PolarHBondContact O-OG1 3.39Å; Q460-A574 PolarHBondContact NE2-O 2.92Å; Q460-F576 PolarHBondContact N-O 3.47Å; Q460-C577 PolarHBondContact NE2-O 3.33Å; Q460-D578 WeakPolarHBondContact CG-OD1 3.41Å |
| 461 | D | 78.5 | Confident | 80.5 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 66% | 0.658 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 128.1 | 176.8 | -72.2 | -41.4 | 0 | 0 | 0 | 110.7 | R495 | D461-R495 IonicContact OD1-CZ 2.65Å; D461-R495 VanDerWaalsContact OD1-CZ 3.23Å; D461-R495 IonicContact OD1-NH1 3.21Å; D461-R495 PolarHBondContact OD1-NH1 3.26Å; D461-R495 IonicContact OD1-NH2 3.92Å; D461-R495 PolarHBondContact OD1-NH2 3.42Å; D461-R495 IonicContact OD2-NH1 3.34Å |
| 462 | G | 77.5 | Confident | 81.3 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 91% | 0.907 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | -6.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q460 S464 | Q460-G462 PolarHBondContact O-N 3.24Å; G462-S464 PolarHBondContact O-N 3.35Å |
| 463 | T | 80.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -68.5 | 130.2 | -179.3 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | M459 Q460 R465 F576 | M459-T463 WeakPolarHBondContact CE-OG1 3.27Å; Q460-T463 HydrophobicContact CB-CG2 3.69Å; Q460-T463 PolarHBondContact O-N 2.97Å; Q460-T463 PolarHBondContact O-OG1 3.39Å; T463-R465 PolarHBondContact O-N 2.96Å; T463-F576 WeakPolarHBondContact CG2-O 3.42Å | ||
| 464 | S | 81 | Confident | 81.8 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | trans | -69.7 | 116.9 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | G462 R466 E467 L468 | G462-S464 PolarHBondContact O-N 3.35Å; S464-R466 PolarHBondContact O-N 3.36Å; S464-R466 PolarHBondContact OG-N 3.01Å; S464-E467 VanDerWaalsContact CB-CD 3.46Å; S464-E467 PolarHBondContact O-N 2.84Å; S464-E467 PolarHBondContact OG-N 2.85Å; S464-L468 PolarHBondContact O-N 3.42Å; S464-L468 VanDerWaalsContact O-N 3.09Å | ||
| 465 | R | 79 | Confident | 81.8 | Confident | 120 Ų | 120 | 59 Ų | 59 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.7 | -37.2 | 174 | -68.8 | 175.5 | 177.3 | 168 | 5.3 | 111.7 | M459 T463 L469 L492 R494 | M459-R465 HydrophobicContact CE-CG 3.96Å; T463-R465 PolarHBondContact O-N 2.96Å; R465-L469 VanDerWaalsContact O-CB 3.31Å; R465-L469 WeakPolarHBondContact O-CB 3.48Å; R465-L469 WeakPolarHBondContact O-CD1 3.32Å; R465-L469 WeakPolarHBondContact O-CG 3.23Å; R465-L469 PolarHBondContact O-N 2.83Å; R465-L492 HydrophobicContact CB-CD1 4.42Å; R465-L492 HydrophobicContact CG-CD1 4.28Å; R465-L492 HydrophobicContact CG-CD2 3.95Å; R465-R494 PolarHBondContact NE-O 2.93Å; R465-R494 PolarHBondContact NH2-O 3.16Å |
| 466 | R | 78.5 | Confident | 81.6 | Confident | 180 Ų | 180 | 61.6 Ų | 61.6 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.7 | -47 | -178.9 | -177.1 | 176.5 | 174.7 | 170.6 | -0.5 | 111.4 | S464 L469 E470 | S464-R466 PolarHBondContact O-N 3.36Å; S464-R466 PolarHBondContact OG-N 3.01Å; R466-L469 PolarHBondContact O-N 3.46Å; R466-E470 HydrophobicContact CG-CG 4.37Å; R466-E470 WeakPolarHBondContact CG-OE1 3.38Å; R466-E470 IonicContact CZ-OE1 3.63Å; R466-E470 IonicContact NE-OE1 3.66Å; R466-E470 PolarHBondContact NE-OE1 2.87Å; R466-E470 IonicContact NH2-OE1 2.74Å; R466-E470 PolarHBondContact NH2-OE1 3.21Å; R466-E470 WeakPolarHBondContact O-CB 3.09Å; R466-E470 WeakPolarHBondContact O-CG 3.11Å; R466-E470 PolarHBondContact O-N 3.06Å |
| 467 | E | 81.7 | Confident | 81.4 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 178.3 | -70.3 | 168.3 | -163.7 | 0 | 0 | 111.8 | S464 L469 E470 R471 F576 | S464-E467 VanDerWaalsContact CB-CD 3.46Å; S464-E467 PolarHBondContact O-N 2.84Å; S464-E467 PolarHBondContact OG-N 2.85Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.84Å; E467-E470 PolarHBondContact O-N 2.99Å; E467-R471 VanDerWaalsContact O-CB 3.28Å; E467-R471 WeakPolarHBondContact O-CB 3.39Å; E467-R471 PolarHBondContact O-N 3.31Å; E467-F576 HydrophobicContact CB-CE1 4.06Å |
| 468 | L | 82.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 175.2 | 171.4 | 59.3 | 0 | 0 | 0 | 111 | M459 S464 R471 M472 L492 Y497 L573 F576 | M459-L468 HydrophobicContact CE-CD2 3.73Å; M459-L468 HydrophobicContact CG-CD2 4.09Å; M459-L468 HydrophobicContact SD-CD2 4Å; S464-L468 PolarHBondContact O-N 3.42Å; S464-L468 VanDerWaalsContact O-N 3.09Å; L468-R471 PolarHBondContact O-N 3.49Å; L468-M472 HydrophobicContact CD1-CG 3.99Å; L468-M472 WeakPolarHBondContact O-CB 3.3Å; L468-M472 VanDerWaalsContact O-CG 3.25Å; L468-M472 WeakPolarHBondContact O-CG 3.39Å; L468-M472 PolarHBondContact O-N 2.86Å; L468-L492 HydrophobicContact CD2-CD1 4.41Å; L468-Y497 HydrophobicContact CD2-CD2 3.88Å; L468-Y497 HydrophobicContact CD2-CG 4.01Å; L468-Y497 HydrophobicContact CG-CD2 4.29Å; L468-L573 HydrophobicContact CD1-CD2 3.44Å; L468-L573 VanDerWaalsContact CD1-CD2 3.44Å; L468-F576 HydrophobicContact CB-CB 4.44Å; L468-F576 HydrophobicContact CB-CD1 4.21Å; L468-F576 HydrophobicContact CB-CG 4.33Å; L468-F576 HydrophobicContact CD1-CB 3.74Å; L468-F576 HydrophobicContact CD1-CD2 4.2Å; L468-F576 HydrophobicContact CD1-CG 3.97Å; L468-F576 HydrophobicContact CG-CB 4.47Å |
| 469 | L | 80.8 | Confident | 80.9 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -42.1 | -178.3 | -74 | 170.4 | 0 | 0 | 0 | 112.5 | L398 R465 R466 E467 R471 M472 E473 L492 Y497 | L398-L469 HydrophobicContact CD2-CB 3.59Å; L398-L469 HydrophobicContact CD2-CD1 4.02Å; L398-L469 HydrophobicContact CD2-CD2 4.06Å; L398-L469 HydrophobicContact CD2-CG 4.08Å; L398-L469 HydrophobicContact CG-CD2 4.3Å; R465-L469 VanDerWaalsContact O-CB 3.31Å; R465-L469 WeakPolarHBondContact O-CB 3.48Å; R465-L469 WeakPolarHBondContact O-CD1 3.32Å; R465-L469 WeakPolarHBondContact O-CG 3.23Å; R465-L469 PolarHBondContact O-N 2.83Å; R466-L469 PolarHBondContact O-N 3.46Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.84Å; L469-R471 VanDerWaalsContact C-N 3.35Å; L469-M472 PolarHBondContact O-N 2.68Å; L469-E473 VanDerWaalsContact O-CB 3.31Å; L469-E473 WeakPolarHBondContact O-CB 3.42Å; L469-E473 PolarHBondContact O-N 3.13Å; L469-L492 HydrophobicContact CD1-CD1 4.4Å; L469-L492 HydrophobicContact CD2-CD1 4.47Å; L469-L492 HydrophobicContact CG-CD1 4.4Å; L469-Y497 HydrophobicContact CD2-CE2 4.46Å |
| 470 | E | 82 | Confident | 80.9 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.4 | -75.2 | 174.3 | -177.9 | 0 | 0 | 111.2 | R466 E467 E473 A474 | R466-E470 HydrophobicContact CG-CG 4.37Å; R466-E470 WeakPolarHBondContact CG-OE1 3.38Å; R466-E470 IonicContact CZ-OE1 3.63Å; R466-E470 IonicContact NE-OE1 3.66Å; R466-E470 PolarHBondContact NE-OE1 2.87Å; R466-E470 IonicContact NH2-OE1 2.74Å; R466-E470 PolarHBondContact NH2-OE1 3.21Å; R466-E470 WeakPolarHBondContact O-CB 3.09Å; R466-E470 WeakPolarHBondContact O-CG 3.11Å; R466-E470 PolarHBondContact O-N 3.06Å; E467-E470 PolarHBondContact O-N 2.99Å; E470-E473 PolarHBondContact O-N 2.77Å; E470-A474 WeakPolarHBondContact O-CB 3.39Å; E470-A474 PolarHBondContact O-N 3.07Å |
| 471 | R | 81.8 | Confident | 81.1 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 39% | 0.389 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.7 | -174.6 | 64.3 | 174.9 | 174.9 | 3.4 | 111.8 | E467 L468 L469 A474 I475 F576 | E467-R471 VanDerWaalsContact O-CB 3.28Å; E467-R471 WeakPolarHBondContact O-CB 3.39Å; E467-R471 PolarHBondContact O-N 3.31Å; L468-R471 PolarHBondContact O-N 3.49Å; L469-R471 VanDerWaalsContact C-N 3.35Å; R471-A474 PolarHBondContact O-N 3.22Å; R471-I475 HydrophobicContact CG-CD1 4.16Å; R471-I475 VanDerWaalsContact O-CG1 3.31Å; R471-I475 WeakPolarHBondContact O-CG1 3.02Å; R471-I475 PolarHBondContact O-N 3.1Å; R471-F576 HydrophobicContact CB-CE2 4.32Å; R471-F576 HydrophobicContact CB-CZ 4.46Å; R471-F576 HydrophobicContact CG-CE2 4.04Å |
| 472 | M | 82.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | -179.9 | -72.6 | -56.5 | -68.3 | 0 | 0 | 112.8 | L468 L469 I475 R476 L487 Y497 F570 L573 | L468-M472 HydrophobicContact CD1-CG 3.99Å; L468-M472 WeakPolarHBondContact O-CB 3.3Å; L468-M472 VanDerWaalsContact O-CG 3.25Å; L468-M472 WeakPolarHBondContact O-CG 3.39Å; L468-M472 PolarHBondContact O-N 2.86Å; L469-M472 PolarHBondContact O-N 2.68Å; M472-I475 PolarHBondContact O-N 2.92Å; M472-I475 HydrophobicContact SD-CD1 3.89Å; M472-R476 VanDerWaalsContact O-CB 3.25Å; M472-R476 WeakPolarHBondContact O-CB 3.23Å; M472-R476 PolarHBondContact O-N 2.74Å; M472-L487 HydrophobicContact CE-CD2 3.53Å; M472-Y497 WeakPolarHBondContact CB-OH 3.26Å; M472-Y497 HydrophobicContact CE-CE1 4.03Å; M472-Y497 WeakPolarHBondContact CE-OH 3.22Å; M472-Y497 HydrophobicContact CG-CE1 4.3Å; M472-Y497 HydrophobicContact CG-CE2 4.2Å; M472-Y497 VanDerWaalsContact CG-OH 3.25Å; M472-Y497 WeakPolarHBondContact CG-OH 3.44Å; M472-F570 HydrophobicContact CE-CD2 3.95Å; M472-F570 HydrophobicContact CE-CE2 3.67Å; M472-F570 HydrophobicContact CE-CZ 4.27Å; M472-L573 HydrophobicContact CE-CD1 4.16Å; M472-L573 HydrophobicContact CG-CD2 4.02Å; M472-L573 HydrophobicContact SD-CD1 3.98Å; M472-L573 HydrophobicContact SD-CD2 3.46Å; M472-L573 WeakPolarHBondContact SD-CD2 3.41Å; M472-L573 HydrophobicContact SD-CG 3.91Å |
| 473 | E | 81.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 172.8 | -175.9 | 64.4 | -177.5 | 0 | 0 | 111.5 | L398 L469 E470 I475 R476 A477 | L398-E473 HydrophobicContact CD1-CB 4.36Å; L398-E473 HydrophobicContact CD1-CG 4.28Å; L469-E473 VanDerWaalsContact O-CB 3.31Å; L469-E473 WeakPolarHBondContact O-CB 3.42Å; L469-E473 PolarHBondContact O-N 3.13Å; E470-E473 PolarHBondContact O-N 2.77Å; E473-I475 VanDerWaalsContact C-N 3.34Å; E473-I475 PolarHBondContact O-N 3.3Å; E473-R476 VanDerWaalsContact CD-NH2 3.31Å; E473-R476 PolarHBondContact O-N 3.11Å; E473-R476 IonicContact OE1-CZ 3.5Å; E473-R476 IonicContact OE1-NE 3.98Å; E473-R476 IonicContact OE1-NH2 3.14Å; E473-R476 PolarHBondContact OE1-NH2 2.93Å; E473-R476 IonicContact OE2-CZ 3.61Å; E473-R476 IonicContact OE2-NE 2.81Å; E473-R476 PolarHBondContact OE2-NE 3.4Å; E473-R476 IonicContact OE2-NH2 3.39Å; E473-R476 PolarHBondContact OE2-NH2 3.47Å; E473-A477 WeakPolarHBondContact O-CB 3.47Å; E473-A477 PolarHBondContact O-N 2.92Å |
| 474 | A | 81.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E470 R471 G478 | E470-A474 WeakPolarHBondContact O-CB 3.39Å; E470-A474 PolarHBondContact O-N 3.07Å; R471-A474 PolarHBondContact O-N 3.22Å; A474-G478 PolarHBondContact O-N 3.17Å |
| 475 | I | 82 | Confident | 82.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 174.7 | -73.2 | 169.6 | 0 | 0 | 0 | 110.8 | R471 M472 E473 A477 G478 L479 L487 I544 F570 | R471-I475 HydrophobicContact CG-CD1 4.16Å; R471-I475 VanDerWaalsContact O-CG1 3.31Å; R471-I475 WeakPolarHBondContact O-CG1 3.02Å; R471-I475 PolarHBondContact O-N 3.1Å; M472-I475 PolarHBondContact O-N 2.92Å; M472-I475 HydrophobicContact SD-CD1 3.89Å; E473-I475 VanDerWaalsContact C-N 3.34Å; E473-I475 PolarHBondContact O-N 3.3Å; I475-A477 PolarHBondContact O-N 3.31Å; I475-G478 PolarHBondContact O-N 3.03Å; I475-L479 HydrophobicContact CG2-CD1 3.59Å; I475-L479 HydrophobicContact CG2-CG 4.18Å; I475-L479 VanDerWaalsContact O-CB 3.28Å; I475-L479 WeakPolarHBondContact O-CB 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.46Å; I475-L479 PolarHBondContact O-N 3.44Å; I475-L487 HydrophobicContact CG2-CD2 4.42Å; I475-I544 HydrophobicContact CG1-CD1 4.38Å; I475-I544 HydrophobicContact CG1-CG1 4.32Å; I475-I544 HydrophobicContact CG2-CD1 3.88Å; I475-F570 HydrophobicContact CG2-CE1 3.82Å; I475-F570 HydrophobicContact CG2-CZ 3.9Å |
| 476 | R | 82.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 179.4 | -168.5 | -173.1 | 67.6 | 74.1 | -0.4 | 112.3 | M472 E473 L487 | M472-R476 VanDerWaalsContact O-CB 3.25Å; M472-R476 WeakPolarHBondContact O-CB 3.23Å; M472-R476 PolarHBondContact O-N 2.74Å; E473-R476 VanDerWaalsContact CD-NH2 3.31Å; E473-R476 PolarHBondContact O-N 3.11Å; E473-R476 IonicContact OE1-CZ 3.5Å; E473-R476 IonicContact OE1-NE 3.98Å; E473-R476 IonicContact OE1-NH2 3.14Å; E473-R476 PolarHBondContact OE1-NH2 2.93Å; E473-R476 IonicContact OE2-CZ 3.61Å; E473-R476 IonicContact OE2-NE 2.81Å; E473-R476 PolarHBondContact OE2-NE 3.4Å; E473-R476 IonicContact OE2-NH2 3.39Å; E473-R476 PolarHBondContact OE2-NH2 3.47Å; R476-L487 HydrophobicContact CB-CD2 3.95Å; R476-L487 HydrophobicContact CB-CG 4.38Å; R476-L487 HydrophobicContact CG-CB 4.35Å; R476-L487 HydrophobicContact CG-CD2 4.29Å; R476-L487 HydrophobicContact CG-CG 4.18Å; R476-L487 VanDerWaalsContact CG-O 3.26Å; R476-L487 WeakPolarHBondContact CG-O 3.09Å |
| 477 | A | 78.5 | Confident | 83.5 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 62% | 0.62 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -71.2 | -32.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E473 I475 | E473-A477 WeakPolarHBondContact O-CB 3.47Å; E473-A477 PolarHBondContact O-N 2.92Å; I475-A477 PolarHBondContact O-N 3.31Å |
| 478 | G | 78.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.6 | -30.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A474 I475 D480 F538 | A474-G478 PolarHBondContact O-N 3.17Å; I475-G478 PolarHBondContact O-N 3.03Å; G478-D480 PolarHBondContact O-N 3.19Å; G478-F538 WeakPolarHBondContact O-CZ 3.36Å |
| 479 | L | 81 | Confident | 83.4 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -96.5 | 74 | -173.7 | -70.4 | -177.7 | 0 | 0 | 0 | 114 | I475 F538 I544 L567 F570 | I475-L479 HydrophobicContact CG2-CD1 3.59Å; I475-L479 HydrophobicContact CG2-CG 4.18Å; I475-L479 VanDerWaalsContact O-CB 3.28Å; I475-L479 WeakPolarHBondContact O-CB 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.46Å; I475-L479 PolarHBondContact O-N 3.44Å; L479-F538 HydrophobicContact CD2-CD1 4.43Å; L479-F538 HydrophobicContact CD2-CE1 3.93Å; L479-I544 HydrophobicContact CD1-CD1 3.35Å; L479-I544 HydrophobicContact CD2-CD1 3.67Å; L479-I544 HydrophobicContact CD2-CG1 4.41Å; L479-I544 HydrophobicContact CG-CD1 3.66Å; L479-L567 HydrophobicContact CD1-CD1 3.23Å; L479-L567 HydrophobicContact CG-CD1 4.45Å; L479-F570 HydrophobicContact CD1-CE1 4.09Å; L479-F570 HydrophobicContact CD1-CZ 4.3Å | ||
| 480 | D | 84.1 | Confident | 83.4 | Confident | 105 Ų | 105 | 40.3 Ų | 40.3 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | trans | -121.2 | 100 | 167 | -155.6 | -1.5 | 0 | 0 | 0 | 109.9 | G478 K486 | G478-D480 PolarHBondContact O-N 3.19Å; D480-K486 IonicContact OD1-NZ 2.7Å; D480-K486 PolarHBondContact OD1-NZ 3.5Å; D480-K486 IonicContact OD2-NZ 3.23Å; D480-K486 PolarHBondContact OD2-NZ 2.88Å | ||
| 481 | H | 87.8 | Confident | 83.1 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 17% | 0.167 | 20% | 0.198 | C | C | . | . | trans | -143.3 | 140.8 | 179.1 | -172.8 | -94.4 | 0 | 0 | 0 | 110.6 | N483 V484 F538 | H481-N483 PolarHBondContact CE1-OD1 3.43Å; H481-N483 VanDerWaalsContact CE1-OD1 3.3Å; H481-N483 PolarHBondContact ND1-N 3.42Å; H481-N483 PolarHBondContact O-N 3.42Å; H481-N483 VanDerWaalsContact O-N 3.11Å; H481-V484 HydrophobicContact CB-CB 4.08Å; H481-V484 HydrophobicContact CB-CG2 3.97Å; H481-V484 PolarHBondContact O-N 2.91Å; H481-V484 VanDerWaalsContact O-N 3.12Å; H481-V484 VanDerWaalsContact O-O 3.05Å; H481-F538 HydrophobicContact CB-CD1 3.58Å; H481-F538 HydrophobicContact CB-CD2 4.19Å; H481-F538 HydrophobicContact CB-CE1 3.67Å; H481-F538 HydrophobicContact CB-CE2 4.27Å; H481-F538 HydrophobicContact CB-CG 3.84Å; H481-F538 HydrophobicContact CB-CZ 4.02Å; H481-F538 AromaticContact CD2-CD2 3.74Å; H481-F538 AromaticContact CD2-CG 3.77Å; H481-F538 AromaticContact CG-CG 3.8Å | ||
| 482 | P | 84.9 | Confident | 82.8 | Confident | 55 Ų | 55 | 30.6 Ų | 30.6 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.1 | -179.1 | 21.6 | -35.2 | 0 | 0 | 0 | 114.5 | K564 | P482-K564 WeakPolarHBondContact O-CE 3.38Å; P482-K564 WeakPolarHBondContact O-CG 3.36Å |
| 483 | N | 90.3 | Very high | 82.3 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 11.8 | -179.7 | -54.6 | 101.3 | 0 | 0 | 0 | 114.3 | H481 D531 V563 K564 I565 | H481-N483 PolarHBondContact CE1-OD1 3.43Å; H481-N483 VanDerWaalsContact CE1-OD1 3.3Å; H481-N483 PolarHBondContact ND1-N 3.42Å; H481-N483 PolarHBondContact O-N 3.42Å; H481-N483 VanDerWaalsContact O-N 3.11Å; N483-D531 WeakPolarHBondContact CB-O 3.49Å; N483-D531 VanDerWaalsContact CG-O 3.31Å; N483-D531 WeakPolarHBondContact ND2-CB 3.44Å; N483-D531 PolarHBondContact ND2-OD1 2.91Å; N483-V563 WeakPolarHBondContact CA-O 3.27Å; N483-V563 WeakPolarHBondContact CB-O 3.13Å; N483-V563 PolarHBondContact ND2-O 3.33Å; N483-K564 WeakPolarHBondContact O-CA 3.37Å; N483-I565 PolarHBondContact O-N 3.05Å |
| 484 | V | 90.2 | Very high | 81.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -122.1 | 140.7 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | H481 K486 F538 I539 L567 | H481-V484 HydrophobicContact CB-CB 4.08Å; H481-V484 HydrophobicContact CB-CG2 3.97Å; H481-V484 PolarHBondContact O-N 2.91Å; H481-V484 VanDerWaalsContact O-N 3.12Å; H481-V484 VanDerWaalsContact O-O 3.05Å; V484-K486 PolarHBondContact O-N 2.73Å; V484-F538 HydrophobicContact CG2-CD1 4.12Å; V484-I539 HydrophobicContact CG1-CD1 4.38Å; V484-I539 HydrophobicContact CG1-CG1 4.42Å; V484-I539 HydrophobicContact CG2-CD1 4.03Å; V484-I539 HydrophobicContact CG2-CG1 3.97Å; V484-L567 HydrophobicContact CG1-CD1 3.46Å; V484-L567 VanDerWaalsContact CG1-CD1 3.46Å; V484-L567 HydrophobicContact CG1-CG 4.14Å |
| 485 | Q | 88.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -65.4 | 121.7 | 177.3 | -177.8 | 167.9 | 47.6 | 0 | 0 | 110.6 | L487 F501 E502 Y556 I565 S566 | Q485-L487 PolarHBondContact O-N 3.23Å; Q485-F501 HydrophobicContact CG-CB 4.02Å; Q485-F501 HydrophobicContact CG-CD1 3.87Å; Q485-F501 HydrophobicContact CG-CG 4.33Å; Q485-E502 HydrophobicContact CG-CG 4Å; Q485-E502 PolarHBondContact NE2-O 3.34Å; Q485-Y556 WeakPolarHBondContact CA-OH 3.42Å; Q485-Y556 HydrophobicContact CB-CE1 3.91Å; Q485-Y556 WeakPolarHBondContact CB-OH 3.29Å; Q485-Y556 HydrophobicContact CG-CE1 4.12Å; Q485-Y556 WeakPolarHBondContact CG-OH 3.13Å; Q485-I565 VanDerWaalsContact CB-O 3.25Å; Q485-I565 WeakPolarHBondContact CB-O 2.96Å; Q485-I565 PolarHBondContact N-O 3.12Å; Q485-S566 PolarHBondContact OE1-OG 3.17Å; Q485-S566 VanDerWaalsContact OE1-OG 3.11Å | ||
| 486 | K | 85.9 | Confident | 81.7 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | trans | -68.2 | 123 | 176.6 | -168.2 | 162.9 | -172.5 | 148.8 | 0 | 111.3 | D480 V484 I488 E502 | D480-K486 IonicContact OD1-NZ 2.7Å; D480-K486 PolarHBondContact OD1-NZ 3.5Å; D480-K486 IonicContact OD2-NZ 3.23Å; D480-K486 PolarHBondContact OD2-NZ 2.88Å; V484-K486 PolarHBondContact O-N 2.73Å; K486-I488 PolarHBondContact O-N 2.83Å; K486-E502 HydrophobicContact CB-CB 4.39Å; K486-E502 VanDerWaalsContact CB-CD 3.46Å; K486-E502 HydrophobicContact CB-CG 3.88Å; K486-E502 PolarHBondContact N-OE1 3.01Å; K486-E502 PolarHBondContact O-N 2.96Å | ||
| 487 | L | 85.5 | Confident | 81.7 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 114.3 | 162.3 | -179.3 | 64.8 | 0 | 0 | 0 | 107.8 | M472 I475 R476 Q485 A499 F501 F570 | M472-L487 HydrophobicContact CE-CD2 3.53Å; I475-L487 HydrophobicContact CG2-CD2 4.42Å; R476-L487 HydrophobicContact CB-CD2 3.95Å; R476-L487 HydrophobicContact CB-CG 4.38Å; R476-L487 HydrophobicContact CG-CB 4.35Å; R476-L487 HydrophobicContact CG-CD2 4.29Å; R476-L487 HydrophobicContact CG-CG 4.18Å; R476-L487 VanDerWaalsContact CG-O 3.26Å; R476-L487 WeakPolarHBondContact CG-O 3.09Å; Q485-L487 PolarHBondContact O-N 3.23Å; L487-A499 HydrophobicContact CD1-CB 3.94Å; L487-F501 HydrophobicContact CB-CE1 4.48Å; L487-F501 HydrophobicContact CD1-CD1 4.17Å; L487-F501 HydrophobicContact CD1-CE1 3.97Å; L487-F501 HydrophobicContact CD1-CZ 4.31Å; L487-F570 HydrophobicContact CD2-CE2 4.39Å; L487-F570 HydrophobicContact CD2-CZ 4.38Å |
| 488 | I | 81.7 | Confident | 82 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 27% | 0.272 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -39.6 | -177.6 | -63.4 | 173.6 | 0 | 0 | 0 | 110.5 | L447 V452 K486 V500 E502 | L447-I488 HydrophobicContact CD2-CG2 3.72Å; V452-I488 HydrophobicContact CB-CD1 4.17Å; V452-I488 HydrophobicContact CG1-CD1 3.32Å; K486-I488 PolarHBondContact O-N 2.83Å; I488-V500 HydrophobicContact CB-CB 4.48Å; I488-V500 HydrophobicContact CB-CG1 4.27Å; I488-V500 WeakPolarHBondContact CB-O 3.2Å; I488-V500 PolarHBondContact N-O 2.93Å; I488-E502 HydrophobicContact CD1-CB 3.98Å; I488-E502 HydrophobicContact CG1-CB 4.38Å |
| 489 | G | 80.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -173.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | V500 | G489-V500 PolarHBondContact N-O 2.93Å; G489-V500 WeakPolarHBondContact O-CB 3.22Å; G489-V500 PolarHBondContact O-N 2.82Å |
| 490 | S | 81.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.5 | 179.8 | 65 | 0 | 0 | 0 | 0 | 112.1 | Y497 V498 | S490-Y497 VanDerWaalsContact CB-CE2 3.46Å; S490-Y497 WeakPolarHBondContact CB-OH 3.47Å; S490-V498 CarbonylContact C-O 3.42Å; S490-V498 VanDerWaalsContact CA-O 3.28Å; S490-V498 WeakPolarHBondContact CA-O 3.18Å |
| 491 | M | 75.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.4 | 176.1 | -65 | 170.8 | 48.5 | 0 | 0 | 108.7 | F396 F402 V406 I409 V498 | F396-M491 HydrophobicContact CE1-CG 3.76Å; F396-M491 HydrophobicContact CE1-SD 3.79Å; F396-M491 HydrophobicContact CZ-CG 4.33Å; F396-M491 HydrophobicContact CZ-SD 3.86Å; F402-M491 HydrophobicContact CD2-CB 4.43Å; F402-M491 HydrophobicContact CD2-CE 3.41Å; F402-M491 VanDerWaalsContact CD2-CE 3.41Å; F402-M491 HydrophobicContact CE2-CE 3.75Å; F402-M491 HydrophobicContact CG-CE 4.14Å; V406-M491 HydrophobicContact CG2-CE 3.66Å; I409-M491 HydrophobicContact CD1-CE 4.34Å; I409-M491 HydrophobicContact CD1-SD 3.85Å; M491-V498 HydrophobicContact CB-CB 4.19Å; M491-V498 PolarHBondContact N-O 2.67Å; M491-V498 PolarHBondContact O-N 3.44Å |
| 492 | L | 74.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131 | 178.1 | -161.5 | 126.7 | 0 | 0 | 0 | 109.7 | M399 E400 F402 M459 R465 L468 L469 Y497 | M399-L492 PolarHBondContact O-N 3.29Å; E400-L492 CarbonylContact C-O 3.54Å; F402-L492 WeakPolarHBondContact CB-O 3.29Å; F402-L492 PolarHBondContact N-O 2.81Å; M459-L492 HydrophobicContact CE-CD1 4.4Å; M459-L492 HydrophobicContact SD-CD1 3.8Å; M459-L492 HydrophobicContact SD-CG 4.3Å; R465-L492 HydrophobicContact CB-CD1 4.42Å; R465-L492 HydrophobicContact CG-CD1 4.28Å; R465-L492 HydrophobicContact CG-CD2 3.95Å; L468-L492 HydrophobicContact CD2-CD1 4.41Å; L469-L492 HydrophobicContact CD1-CD1 4.4Å; L469-L492 HydrophobicContact CD2-CD1 4.47Å; L469-L492 HydrophobicContact CG-CD1 4.4Å; L492-Y497 HydrophobicContact CD1-CD2 4.48Å |
| 493 | D | 71.9 | Confident | 81.4 | Confident | 14 Ų | 14 | 25.9 Ų | 25.9 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 98.6 | 174 | -168.1 | 14.7 | 0 | 0 | 0 | 110.9 | F402 R428 R495 L496 | F402-D493 HydrophobicContact CB-CB 3.24Å; F402-D493 HydrophobicContact CD1-CB 4.03Å; F402-D493 HydrophobicContact CD2-CB 3.95Å; F402-D493 HydrophobicContact CG-CB 3.5Å; F402-D493 VanDerWaalsContact CG-CB 3.5Å; R428-D493 VanDerWaalsContact CD-OD2 3.26Å; R428-D493 WeakPolarHBondContact CD-OD2 3.21Å; R428-D493 IonicContact CZ-OD2 2.8Å; R428-D493 IonicContact NE-OD2 3.56Å; R428-D493 PolarHBondContact NE-OD2 2.85Å; D493-R495 PolarHBondContact O-N 2.79Å; D493-L496 HydrophobicContact CB-CB 4.15Å; D493-L496 PolarHBondContact N-O 3.34Å; D493-L496 WeakPolarHBondContact O-CB 3.25Å; D493-L496 PolarHBondContact O-N 3.5Å |
| 494 | R | 73.5 | Confident | 79.8 | Confident | 170 Ų | 170 | 26 Ų | 26 | 64% | 0.642 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -86 | -179.9 | -57.5 | -179.1 | 179.3 | -168.9 | -2.2 | 113.9 | R465 | R465-R494 PolarHBondContact NE-O 2.93Å; R465-R494 PolarHBondContact NH2-O 3.16Å |
| 495 | R | 78.3 | Confident | 78.2 | Confident | 151 Ų | 151 | 29.5 Ų | 29.5 | 57% | 0.57 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 9.1 | 177.9 | -62.1 | -173.4 | -179 | -157.1 | -5.6 | 112.6 | M459 D461 D493 | M459-R495 PolarHBondContact N-O 2.88Å; D461-R495 IonicContact OD1-CZ 2.65Å; D461-R495 VanDerWaalsContact OD1-CZ 3.23Å; D461-R495 IonicContact OD1-NH1 3.21Å; D461-R495 PolarHBondContact OD1-NH1 3.26Å; D461-R495 IonicContact OD1-NH2 3.92Å; D461-R495 PolarHBondContact OD1-NH2 3.42Å; D461-R495 IonicContact OD2-NH1 3.34Å; D493-R495 PolarHBondContact O-N 2.79Å |
| 496 | L | 80.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.6 | -177.5 | -171.5 | 73.1 | 0 | 0 | 0 | 108.5 | L431 L432 C435 A456 F457 D493 V498 | L431-L496 HydrophobicContact CB-CD2 4.1Å; L432-L496 HydrophobicContact CD2-CD1 4.03Å; L432-L496 HydrophobicContact CD2-CD2 4.37Å; L432-L496 HydrophobicContact CG-CD2 4.4Å; C435-L496 WeakPolarHBondContact SG-CD1 3.36Å; A456-L496 HydrophobicContact CB-CD1 3.8Å; A456-L496 HydrophobicContact CB-CD2 4.48Å; A456-L496 HydrophobicContact CB-CG 4.2Å; F457-L496 CarbonylContact O-C 3.58Å; F457-L496 WeakPolarHBondContact O-CA 3.47Å; D493-L496 HydrophobicContact CB-CB 4.15Å; D493-L496 PolarHBondContact N-O 3.34Å; D493-L496 WeakPolarHBondContact O-CB 3.25Å; D493-L496 PolarHBondContact O-N 3.5Å; L496-V498 HydrophobicContact CD2-CG2 4.01Å; L496-V498 HydrophobicContact CG-CG2 3.96Å |
| 497 | Y | 84.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.1 | 170.6 | 174.9 | -104.8 | 0 | 0 | 0 | 109 | A456 F457 L468 L469 M472 S490 L492 A499 L573 | A456-Y497 CarbonylContact C-O 3.43Å; A456-Y497 WeakPolarHBondContact CA-O 3.43Å; F457-Y497 HydrophobicContact CB-CD1 4.29Å; F457-Y497 AromaticContact CD2-CD1 3.6Å; F457-Y497 HydrophobicContact CD2-CD1 3.6Å; F457-Y497 HydrophobicContact CD2-CE1 4.09Å; F457-Y497 HydrophobicContact CE2-CD1 4.31Å; F457-Y497 HydrophobicContact CE2-CE1 4.36Å; F457-Y497 HydrophobicContact CG-CD1 4.28Å; F457-Y497 PolarHBondContact N-O 3.08Å; F457-Y497 PolarHBondContact O-N 3.46Å; L468-Y497 HydrophobicContact CD2-CD2 3.88Å; L468-Y497 HydrophobicContact CD2-CG 4.01Å; L468-Y497 HydrophobicContact CG-CD2 4.29Å; L469-Y497 HydrophobicContact CD2-CE2 4.46Å; M472-Y497 WeakPolarHBondContact CB-OH 3.26Å; M472-Y497 HydrophobicContact CE-CE1 4.03Å; M472-Y497 WeakPolarHBondContact CE-OH 3.22Å; M472-Y497 HydrophobicContact CG-CE1 4.3Å; M472-Y497 HydrophobicContact CG-CE2 4.2Å; M472-Y497 VanDerWaalsContact CG-OH 3.25Å; M472-Y497 WeakPolarHBondContact CG-OH 3.44Å; S490-Y497 VanDerWaalsContact CB-CE2 3.46Å; S490-Y497 WeakPolarHBondContact CB-OH 3.47Å; L492-Y497 HydrophobicContact CD1-CD2 4.48Å; Y497-A499 HydrophobicContact CE1-CB 4.09Å; Y497-L573 HydrophobicContact CD1-CD1 4.27Å; Y497-L573 HydrophobicContact CE1-CD1 3.93Å |
| 498 | V | 83.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 112.9 | -177.2 | -177 | 0 | 0 | 0 | 0 | 109 | F402 L431 L454 R455 A456 S490 M491 L496 | F402-V498 HydrophobicContact CD2-CG2 4.37Å; F402-V498 HydrophobicContact CE2-CG2 4.13Å; L431-V498 HydrophobicContact CD1-CG1 4.11Å; L431-V498 HydrophobicContact CD1-CG2 4.01Å; L431-V498 HydrophobicContact CD2-CG1 4.41Å; L454-V498 HydrophobicContact CB-CG1 4.21Å; L454-V498 HydrophobicContact CD2-CG1 4.37Å; R455-V498 CarbonylContact O-C 3.41Å; R455-V498 WeakPolarHBondContact O-CA 3.29Å; A456-V498 HydrophobicContact CB-CG2 4.09Å; S490-V498 CarbonylContact C-O 3.42Å; S490-V498 VanDerWaalsContact CA-O 3.28Å; S490-V498 WeakPolarHBondContact CA-O 3.18Å; M491-V498 HydrophobicContact CB-CB 4.19Å; M491-V498 PolarHBondContact N-O 2.67Å; M491-V498 PolarHBondContact O-N 3.44Å; L496-V498 HydrophobicContact CD2-CG2 4.01Å; L496-V498 HydrophobicContact CG-CG2 3.96Å |
| 499 | A | 85.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L454 R455 F457 L487 Y497 F501 | L454-A499 WeakPolarHBondContact CA-O 3.33Å; R455-A499 PolarHBondContact N-O 2.94Å; R455-A499 PolarHBondContact O-N 2.89Å; F457-A499 HydrophobicContact CE2-CB 3.94Å; L487-A499 HydrophobicContact CD1-CB 3.94Å; Y497-A499 HydrophobicContact CE1-CB 4.09Å; A499-F501 HydrophobicContact CB-CD2 4.22Å; A499-F501 HydrophobicContact CB-CE2 3.57Å; A499-F501 HydrophobicContact CB-CZ 3.98Å |
| 500 | V | 83.1 | Confident | 76.6 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.2 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | F396 L447 V452 L454 I488 G489 | F396-V500 HydrophobicContact CE1-CG2 4.36Å; L447-V500 HydrophobicContact CD2-CG1 4.44Å; V452-V500 HydrophobicContact CB-CG1 4.1Å; V452-V500 HydrophobicContact CG2-CG1 4Å; L454-V500 HydrophobicContact CD2-CB 4.24Å; L454-V500 HydrophobicContact CD2-CG1 4.05Å; L454-V500 HydrophobicContact CD2-CG2 3.74Å; I488-V500 HydrophobicContact CB-CB 4.48Å; I488-V500 HydrophobicContact CB-CG1 4.27Å; I488-V500 WeakPolarHBondContact CB-O 3.2Å; I488-V500 PolarHBondContact N-O 2.93Å; G489-V500 PolarHBondContact N-O 2.93Å; G489-V500 WeakPolarHBondContact O-CB 3.22Å; G489-V500 PolarHBondContact O-N 2.82Å |
| 501 | F | 85.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 154.8 | -179.2 | -65.9 | -80.4 | 0 | 0 | 0 | 112.1 | L442 V452 G453 R455 Q485 L487 A499 L567 T568 F570 | L442-F501 HydrophobicContact CD1-CB 4.36Å; L442-F501 HydrophobicContact CD2-CD2 3.78Å; L442-F501 HydrophobicContact CD2-CE2 4.45Å; V452-F501 CarbonylContact C-O 3.59Å; V452-F501 WeakPolarHBondContact CA-O 3.29Å; V452-F501 WeakPolarHBondContact CB-O 3.43Å; G453-F501 PolarHBondContact N-O 2.85Å; G453-F501 PolarHBondContact O-N 3.1Å; R455-F501 HydrophobicContact CB-CD2 4.34Å; R455-F501 HydrophobicContact CB-CE2 3.95Å; Q485-F501 HydrophobicContact CG-CB 4.02Å; Q485-F501 HydrophobicContact CG-CD1 3.87Å; Q485-F501 HydrophobicContact CG-CG 4.33Å; L487-F501 HydrophobicContact CB-CE1 4.48Å; L487-F501 HydrophobicContact CD1-CD1 4.17Å; L487-F501 HydrophobicContact CD1-CE1 3.97Å; L487-F501 HydrophobicContact CD1-CZ 4.31Å; A499-F501 HydrophobicContact CB-CD2 4.22Å; A499-F501 HydrophobicContact CB-CE2 3.57Å; A499-F501 HydrophobicContact CB-CZ 3.98Å; F501-L567 HydrophobicContact CE1-CB 4.28Å; F501-T568 HydrophobicContact CD2-CG2 4.42Å; F501-T568 HydrophobicContact CE2-CG2 4.22Å; F501-F570 AromaticContact CE1-CE2 3.65Å; F501-F570 HydrophobicContact CE1-CE2 3.65Å; F501-F570 HydrophobicContact CE1-CZ 4.12Å; F501-F570 AromaticContact CZ-CD2 3.99Å; F501-F570 HydrophobicContact CZ-CD2 3.99Å; F501-F570 AromaticContact CZ-CE2 3.49Å; F501-F570 HydrophobicContact CZ-CE2 3.49Å; F501-F570 VanDerWaalsContact CZ-CE2 3.49Å; F501-F570 HydrophobicContact CZ-CZ 4.38Å |
| 502 | E | 82.8 | Confident | 76.4 | Confident | 39 Ų | 39 | 34 Ų | 34 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 151.5 | 168 | 68.2 | 174.9 | 177 | 0 | 0 | 112.6 | Q485 K486 I488 K564 | Q485-E502 HydrophobicContact CG-CG 4Å; Q485-E502 PolarHBondContact NE2-O 3.34Å; K486-E502 HydrophobicContact CB-CB 4.39Å; K486-E502 VanDerWaalsContact CB-CD 3.46Å; K486-E502 HydrophobicContact CB-CG 3.88Å; K486-E502 PolarHBondContact N-OE1 3.01Å; K486-E502 PolarHBondContact O-N 2.96Å; I488-E502 HydrophobicContact CD1-CB 3.98Å; I488-E502 HydrophobicContact CG1-CB 4.38Å; E502-K564 VanDerWaalsContact OE1-CD 3.29Å; E502-K564 WeakPolarHBondContact OE1-CD 3.37Å; E502-K564 WeakPolarHBondContact OE1-CE 3.26Å; E502-K564 IonicContact OE1-NZ 3.44Å; E502-K564 PolarHBondContact OE1-NZ 3.24Å; E502-K564 IonicContact OE2-NZ 3.95Å; E502-K564 PolarHBondContact OE2-NZ 2.92Å |
| 503 | G | 67.8 | Low | 76.7 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | trans | 80.7 | 42.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | P451 | P451-G503 PolarHBondContact O-N 3.32Å; P451-G503 VanDerWaalsContact O-N 3.09Å | ||
| 504 | A | 55.8 | Low | 76.8 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 146.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P444 V452 R506 | P444-A504 HydrophobicContact CB-CB 3.85Å; V452-A504 WeakPolarHBondContact O-CB 3.4Å; A504-R506 VanDerWaalsContact C-N 3.3Å; A504-R506 PolarHBondContact O-N 3.26Å |
| 505 | G | 57.4 | Low | 76.3 | Confident | 75 Ų | 75 | 30.5 Ų | 30.5 | 77% | 0.773 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 15.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 506 | R | 66.2 | Low | 75.3 | Confident | 72 Ų | 72 | 23.9 Ų | 23.9 | 27% | 0.272 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -86.1 | 139.1 | 173 | -60.7 | -169.5 | -176.4 | 157.4 | -0.6 | 109.7 | A504 C508 Y556 F557 D558 | A504-R506 VanDerWaalsContact C-N 3.3Å; A504-R506 PolarHBondContact O-N 3.26Å; R506-C508 PolarHBondContact O-N 2.97Å; R506-Y556 HydrophobicContact CB-CD2 4.3Å; R506-F557 WeakPolarHBondContact CD-O 3.42Å; R506-D558 VanDerWaalsContact NH1-CB 3.34Å |
| 507 | A | 65.9 | Low | 74.3 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 132.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E511 F512 | A507-E511 WeakPolarHBondContact CA-OE2 3.28Å; A507-E511 HydrophobicContact CB-CB 4.23Å; A507-E511 WeakPolarHBondContact CB-OE2 3.38Å; A507-F512 HydrophobicContact CB-CD2 3.91Å; A507-F512 HydrophobicContact CB-CE2 3.45Å; A507-F512 VanDerWaalsContact CB-CE2 3.45Å; A507-F512 HydrophobicContact CB-CZ 4.26Å; A507-F512 WeakPolarHBondContact O-CE2 3.26Å |
| 508 | C | 82.6 | Confident | 73.4 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 161.4 | 174.7 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | R506 R510 E511 F512 S553 C555 | R506-C508 PolarHBondContact O-N 2.97Å; C508-R510 PolarHBondContact O-N 3.41Å; C508-R510 VanDerWaalsContact O-N 3.15Å; C508-E511 WeakPolarHBondContact O-CB 2.91Å; C508-E511 PolarHBondContact O-N 3.12Å; C508-F512 WeakPolarHBondContact O-CD2 3.45Å; C508-F512 PolarHBondContact O-N 2.82Å; C508-F512 VanDerWaalsContact O-N 3.17Å; C508-S553 WeakPolarHBondContact CB-O 3.29Å; C508-C555 CarbonylContact C-O 3.51Å; C508-C555 WeakPolarHBondContact CA-O 3.47Å; C508-C555 WeakPolarHBondContact CB-O 3.48Å |
| 509 | L | 86.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -32.7 | -176.9 | -168.4 | 63.3 | 0 | 0 | 0 | 111.4 | F512 L513 W520 V528 L532 T552 C555 F557 I619 I623 | L509-F512 WeakPolarHBondContact O-CB 3.23Å; L509-F512 PolarHBondContact O-N 2.98Å; L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CG 3.35Å; L509-L513 PolarHBondContact O-N 2.78Å; L509-W520 HydrophobicContact CD1-CH2 3.61Å; L509-W520 HydrophobicContact CD1-CZ3 4.25Å; L509-W520 HydrophobicContact CG-CH2 4.46Å; L509-V528 HydrophobicContact CD1-CG1 4.15Å; L509-V528 HydrophobicContact CD2-CG1 4.19Å; L509-L532 HydrophobicContact CD2-CD1 4.28Å; L509-T552 WeakPolarHBondContact CB-O 3.47Å; L509-T552 HydrophobicContact CD2-CG2 4.2Å; L509-T552 HydrophobicContact CG-CG2 4.46Å; L509-T552 PolarHBondContact N-O 3.08Å; L509-C555 HydrophobicContact CB-CB 3.99Å; L509-C555 HydrophobicContact CD2-CB 4.19Å; L509-C555 PolarHBondContact N-O 3.42Å; L509-F557 HydrophobicContact CD1-CE2 3.54Å; L509-F557 HydrophobicContact CD1-CZ 3.78Å; L509-I619 HydrophobicContact CD2-CG2 4.31Å; L509-I623 HydrophobicContact CD2-CD1 4.01Å |
| 510 | R | 85.3 | Confident | 72.4 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.2 | -176.5 | 55 | 173.7 | -135.3 | -9.3 | 112.6 | C508 F512 L513 D514 T552 E622 P629 | C508-R510 PolarHBondContact O-N 3.41Å; C508-R510 VanDerWaalsContact O-N 3.15Å; R510-F512 VanDerWaalsContact C-N 3.29Å; R510-F512 PolarHBondContact O-N 2.9Å; R510-L513 PolarHBondContact O-N 3.29Å; R510-D514 IonicContact NE-OD1 3.69Å; R510-D514 IonicContact NE-OD2 3.28Å; R510-D514 PolarHBondContact NE-OD2 3.47Å; R510-D514 VanDerWaalsContact O-CB 3.29Å; R510-D514 WeakPolarHBondContact O-CB 3.49Å; R510-D514 PolarHBondContact O-N 3.44Å; R510-T552 PolarHBondContact N-O 3.06Å; R510-E622 IonicContact CZ-OE1 3.56Å; R510-E622 IonicContact NE-OE1 2.64Å; R510-E622 IonicContact NH1-OE1 2.76Å; R510-E622 PolarHBondContact NH1-OE1 3.21Å; R510-E622 IonicContact NH1-OE2 3.56Å; R510-P629 VanDerWaalsContact NH1-CG 3.34Å |
| 511 | E | 77.3 | Confident | 72 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 176.1 | -70.9 | 177.5 | 175.8 | 0 | 0 | 111.6 | A507 C508 V515 | A507-E511 WeakPolarHBondContact CA-OE2 3.28Å; A507-E511 HydrophobicContact CB-CB 4.23Å; A507-E511 WeakPolarHBondContact CB-OE2 3.38Å; C508-E511 WeakPolarHBondContact O-CB 2.91Å; C508-E511 PolarHBondContact O-N 3.12Å; E511-V515 WeakPolarHBondContact O-CB 3.47Å; E511-V515 WeakPolarHBondContact O-CG2 3.31Å; E511-V515 PolarHBondContact O-N 3.28Å |
| 512 | F | 76 | Confident | 71.8 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.1 | -84.4 | -89.9 | 0 | 0 | 0 | 112.4 | A507 C508 L509 R510 I516 W520 F557 L728 | A507-F512 HydrophobicContact CB-CD2 3.91Å; A507-F512 HydrophobicContact CB-CE2 3.45Å; A507-F512 VanDerWaalsContact CB-CE2 3.45Å; A507-F512 HydrophobicContact CB-CZ 4.26Å; A507-F512 WeakPolarHBondContact O-CE2 3.26Å; C508-F512 WeakPolarHBondContact O-CD2 3.45Å; C508-F512 PolarHBondContact O-N 2.82Å; C508-F512 VanDerWaalsContact O-N 3.17Å; L509-F512 WeakPolarHBondContact O-CB 3.23Å; L509-F512 PolarHBondContact O-N 2.98Å; R510-F512 VanDerWaalsContact C-N 3.29Å; R510-F512 PolarHBondContact O-N 2.9Å; F512-I516 HydrophobicContact CD1-CD1 3.66Å; F512-I516 HydrophobicContact CE1-CD1 4.32Å; F512-I516 VanDerWaalsContact O-CB 3.27Å; F512-I516 WeakPolarHBondContact O-CB 3.31Å; F512-I516 WeakPolarHBondContact O-CG1 3.12Å; F512-I516 PolarHBondContact O-N 3.36Å; F512-I516 VanDerWaalsContact O-N 3.09Å; F512-W520 HydrophobicContact CB-CZ2 4.34Å; F512-F557 HydrophobicContact CB-CE2 4.36Å; F512-F557 HydrophobicContact CD1-CD2 4.32Å; F512-F557 HydrophobicContact CD1-CE2 4.18Å; F512-F557 AromaticContact CD2-CD2 3.6Å; F512-F557 HydrophobicContact CD2-CD2 3.6Å; F512-F557 AromaticContact CD2-CE2 3.88Å; F512-F557 HydrophobicContact CD2-CE2 3.88Å; F512-F557 HydrophobicContact CE1-CD2 4.24Å; F512-F557 HydrophobicContact CE1-CE2 4.48Å; F512-F557 HydrophobicContact CE2-CB 4.49Å; F512-F557 AromaticContact CE2-CD2 3.47Å; F512-F557 HydrophobicContact CE2-CD2 3.47Å; F512-F557 VanDerWaalsContact CE2-CD2 3.47Å; F512-F557 HydrophobicContact CE2-CE2 4.18Å; F512-F557 HydrophobicContact CE2-CG 4.41Å; F512-F557 HydrophobicContact CG-CD2 4.04Å; F512-F557 AromaticContact CG-CE2 3.89Å; F512-F557 HydrophobicContact CG-CE2 3.89Å; F512-F557 AromaticContact CZ-CD2 3.82Å; F512-F557 HydrophobicContact CZ-CD2 3.82Å; F512-F557 HydrophobicContact CZ-CE2 4.48Å; F512-L728 HydrophobicContact CZ-CD2 4.29Å |
| 513 | L | 80.8 | Confident | 71.6 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 177.7 | -71.9 | 162.3 | 0 | 0 | 0 | 112.1 | L509 R510 W520 T552 E622 Q626 | L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CG 3.35Å; L509-L513 PolarHBondContact O-N 2.78Å; R510-L513 PolarHBondContact O-N 3.29Å; L513-W520 HydrophobicContact CD2-CH2 3.6Å; L513-W520 HydrophobicContact CD2-CZ2 3.61Å; L513-W520 HydrophobicContact CD2-CZ3 4.18Å; L513-W520 HydrophobicContact CG-CH2 3.9Å; L513-W520 HydrophobicContact CG-CZ2 3.98Å; L513-T552 HydrophobicContact CD1-CG2 3.9Å; L513-E622 HydrophobicContact CD1-CG 3.85Å; L513-Q626 HydrophobicContact CD2-CG 4.28Å |
| 514 | D | 74.6 | Confident | 72 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.7 | -39.1 | -179.2 | -83.1 | -23.8 | 0 | 0 | 0 | 113.5 | R510 H644 R645 | R510-D514 IonicContact NE-OD1 3.69Å; R510-D514 IonicContact NE-OD2 3.28Å; R510-D514 PolarHBondContact NE-OD2 3.47Å; R510-D514 VanDerWaalsContact O-CB 3.29Å; R510-D514 WeakPolarHBondContact O-CB 3.49Å; R510-D514 PolarHBondContact O-N 3.44Å; D514-H644 IonicContact OD1-CD2 2.75Å; D514-H644 IonicContact OD1-CE1 3.71Å; D514-H644 IonicContact OD1-NE2 2.71Å; D514-H644 PolarHBondContact OD1-NE2 3.1Å; D514-R645 VanDerWaalsContact CB-NH2 3.26Å; D514-R645 IonicContact OD1-NH2 3.39Å; D514-R645 PolarHBondContact OD1-NH2 3.22Å; D514-R645 IonicContact OD2-CZ 2.67Å; D514-R645 VanDerWaalsContact OD2-CZ 3.28Å; D514-R645 IonicContact OD2-NH1 2.68Å; D514-R645 PolarHBondContact OD2-NH1 3.39Å; D514-R645 IonicContact OD2-NH2 3.16Å; D514-R645 PolarHBondContact OD2-NH2 2.89Å |
| 515 | V | 61.3 | Low | 73.4 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -82.5 | -39 | -175.1 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | E511 N517 R734 | E511-V515 WeakPolarHBondContact O-CB 3.47Å; E511-V515 WeakPolarHBondContact O-CG2 3.31Å; E511-V515 PolarHBondContact O-N 3.28Å; V515-N517 PolarHBondContact O-N 3.25Å; V515-R734 PolarHBondContact O-NH1 3.42Å |
| 516 | I | 58.8 | Low | 74.7 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | trans | -95 | 95.5 | -170.7 | -51 | -177.5 | 0 | 0 | 0 | 109.5 | F512 V518 L727 | F512-I516 HydrophobicContact CD1-CD1 3.66Å; F512-I516 HydrophobicContact CE1-CD1 4.32Å; F512-I516 VanDerWaalsContact O-CB 3.27Å; F512-I516 WeakPolarHBondContact O-CB 3.31Å; F512-I516 WeakPolarHBondContact O-CG1 3.12Å; F512-I516 PolarHBondContact O-N 3.36Å; F512-I516 VanDerWaalsContact O-N 3.09Å; I516-V518 HydrophobicContact CG2-CB 3.63Å; I516-V518 HydrophobicContact CG2-CG2 3.69Å; I516-V518 PolarHBondContact O-N 2.78Å; I516-L727 HydrophobicContact CB-CD2 4.38Å; I516-L727 HydrophobicContact CD1-CB 3.88Å; I516-L727 HydrophobicContact CD1-CD2 3.56Å; I516-L727 HydrophobicContact CD1-CG 4.26Å; I516-L727 HydrophobicContact CG1-CD2 4.47Å; I516-L727 HydrophobicContact CG2-CD2 3.4Å | ||
| 517 | N | 59.7 | Low | 75.5 | Confident | 167 Ų | 167 | 45.1 Ų | 45.1 | 89% | 0.893 | 22% | 0.222 | S | C | * | . | trans | -72.6 | 28.6 | 174.5 | -147.3 | 21.9 | 0 | 0 | 0 | 113.3 | V515 | V515-N517 PolarHBondContact O-N 3.25Š| ||
| 518 | V | 63.9 | Low | 76.5 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -105.4 | 129.7 | -178.4 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | I516 W520 Q626 | I516-V518 HydrophobicContact CG2-CB 3.63Å; I516-V518 HydrophobicContact CG2-CG2 3.69Å; I516-V518 PolarHBondContact O-N 2.78Å; V518-W520 VanDerWaalsContact O-CD1 3.3Å; V518-W520 PolarHBondContact O-N 3.42Å; V518-Q626 PolarHBondContact O-NE2 3.14Å |
| 519 | R | 72.1 | Confident | 76.9 | Confident | 215 Ų | 215 | 43.4 Ų | 43.4 | 81% | 0.811 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -61 | 123.7 | 172.6 | -73.4 | -174.2 | 177.9 | -173.1 | -0.7 | 109.8 | Q626 | R519-Q626 VanDerWaalsContact CA-OE1 3.28Š|
| 520 | W | 77.8 | Confident | 77 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 134.9 | 175.7 | -67.1 | 5.9 | 0 | 0 | 0 | 109.6 | L509 F512 L513 V518 F524 K525 V528 I623 | L509-W520 HydrophobicContact CD1-CH2 3.61Å; L509-W520 HydrophobicContact CD1-CZ3 4.25Å; L509-W520 HydrophobicContact CG-CH2 4.46Å; F512-W520 HydrophobicContact CB-CZ2 4.34Å; L513-W520 HydrophobicContact CD2-CH2 3.6Å; L513-W520 HydrophobicContact CD2-CZ2 3.61Å; L513-W520 HydrophobicContact CD2-CZ3 4.18Å; L513-W520 HydrophobicContact CG-CH2 3.9Å; L513-W520 HydrophobicContact CG-CZ2 3.98Å; V518-W520 VanDerWaalsContact O-CD1 3.3Å; V518-W520 PolarHBondContact O-N 3.42Å; W520-F524 HydrophobicContact CB-CD1 3.99Å; W520-F524 AromaticContact CD2-CD1 3.57Å; W520-F524 HydrophobicContact CD2-CD1 3.57Å; W520-F524 AromaticContact CD2-CE1 3.51Å; W520-F524 HydrophobicContact CD2-CE1 3.51Å; W520-F524 AromaticContact CE2-CE1 3.83Å; W520-F524 AromaticContact CE3-CD1 3.57Å; W520-F524 HydrophobicContact CE3-CD1 3.57Å; W520-F524 AromaticContact CE3-CE1 3.5Å; W520-F524 HydrophobicContact CE3-CE1 3.5Å; W520-F524 AromaticContact CG-CD1 3.73Å; W520-F524 HydrophobicContact CG-CD1 3.73Å; W520-F524 HydrophobicContact CG-CE1 4.07Å; W520-F524 HydrophobicContact CH2-CE1 4.18Å; W520-F524 HydrophobicContact CZ2-CE1 4.17Å; W520-F524 HydrophobicContact CZ3-CD1 4.32Å; W520-F524 AromaticContact CZ3-CE1 3.85Å; W520-F524 HydrophobicContact CZ3-CE1 3.85Å; W520-K525 HydrophobicContact CB-CD 4.47Å; W520-K525 HydrophobicContact CB-CG 3.8Å; W520-K525 HydrophobicContact CE3-CG 4.34Å; W520-K525 WeakPolarHBondContact O-CE 3.31Å; W520-V528 HydrophobicContact CZ3-CG1 4.32Å; W520-V528 HydrophobicContact CZ3-CG2 4.43Å; W520-I623 HydrophobicContact CE3-CG2 3.92Å; W520-I623 HydrophobicContact CZ3-CD1 4.49Å; W520-I623 HydrophobicContact CZ3-CG1 4.11Å; W520-I623 HydrophobicContact CZ3-CG2 3.97Å |
| 521 | D | 74.9 | Confident | 77.1 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 148 | 172.3 | -63.7 | -27.9 | 0 | 0 | 0 | 110.5 | F524 K525 H723 | D521-F524 WeakPolarHBondContact O-CB 3.2Å; D521-F524 PolarHBondContact O-N 2.88Å; D521-K525 PolarHBondContact O-N 2.7Å; D521-H723 IonicContact OD2-CD2 3.81Å; D521-H723 IonicContact OD2-CE1 2.84Å; D521-H723 IonicContact OD2-NE2 2.8Å |
| 522 | W | 81.2 | Confident | 77.9 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 24% | 0.242 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -50.6 | -47.2 | 179.1 | -80.1 | 111.2 | 0 | 0 | 0 | 113.8 | F524 K525 L526 F624 K676 H677 | W522-F524 VanDerWaalsContact C-N 3.25Å; W522-F524 PolarHBondContact O-N 3.19Å; W522-K525 HydrophobicContact CD2-CD 4.46Å; W522-K525 HydrophobicContact CE3-CB 4.49Å; W522-K525 HydrophobicContact CE3-CD 4.06Å; W522-K525 HydrophobicContact CZ3-CD 4.28Å; W522-K525 PolarHBondContact O-N 3.29Å; W522-K525 VanDerWaalsContact O-N 3.14Å; W522-L526 VanDerWaalsContact O-CG 3.29Å; W522-L526 WeakPolarHBondContact O-CG 3.43Å; W522-L526 PolarHBondContact O-N 2.89Å; W522-F624 HydrophobicContact CH2-CD1 4.27Å; W522-F624 HydrophobicContact CH2-CD2 4.29Å; W522-F624 HydrophobicContact CH2-CE1 4.38Å; W522-F624 HydrophobicContact CH2-CE2 4.41Å; W522-F624 HydrophobicContact CH2-CG 4.19Å; W522-F624 HydrophobicContact CH2-CZ 4.43Å; W522-F624 AromaticContact CZ3-CD1 3.83Å; W522-F624 HydrophobicContact CZ3-CD1 3.83Å; W522-F624 HydrophobicContact CZ3-CD2 4.45Å; W522-F624 AromaticContact CZ3-CE1 3.63Å; W522-F624 HydrophobicContact CZ3-CE1 3.63Å; W522-F624 HydrophobicContact CZ3-CE2 4.29Å; W522-F624 HydrophobicContact CZ3-CG 4.21Å; W522-F624 AromaticContact CZ3-CZ 3.87Å; W522-F624 HydrophobicContact CZ3-CZ 3.87Å; W522-K676 HydrophobicContact CG-CD 4.44Å; W522-H677 AromaticContact CD2-CD2 3.63Å; W522-H677 AromaticContact CD2-NE2 3.99Å; W522-H677 AromaticContact CE3-CD2 3.48Å; W522-H677 VanDerWaalsContact CE3-CD2 3.48Å; W522-H677 AromaticContact CG-NE2 3.9Å; W522-H677 AromaticContact CZ3-CD2 3.96Å |
| 523 | P | 77.2 | Confident | 78.7 | Confident | 41 Ų | 41 | 39 Ų | 39 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -48.2 | -43.8 | 171.8 | -35.1 | 40.4 | 0 | 0 | 0 | 114.6 | V527 L714 N720 | P523-V527 WeakPolarHBondContact O-CG2 3.33Å; P523-V527 PolarHBondContact O-N 3.43Å; P523-V527 VanDerWaalsContact O-N 3.14Å; P523-L714 HydrophobicContact CB-CD2 3.66Å; P523-L714 HydrophobicContact CG-CD2 4.2Å; P523-N720 VanDerWaalsContact CB-OD1 3.23Å; P523-N720 WeakPolarHBondContact CB-OD1 3.27Å |
| 524 | F | 77.2 | Confident | 79.2 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.4 | -44.2 | -179.7 | -176.9 | -114.1 | 0 | 0 | 0 | 111.4 | W520 D521 W522 L526 V527 V528 F557 R724 L727 | W520-F524 HydrophobicContact CB-CD1 3.99Å; W520-F524 AromaticContact CD2-CD1 3.57Å; W520-F524 HydrophobicContact CD2-CD1 3.57Å; W520-F524 AromaticContact CD2-CE1 3.51Å; W520-F524 HydrophobicContact CD2-CE1 3.51Å; W520-F524 AromaticContact CE2-CE1 3.83Å; W520-F524 AromaticContact CE3-CD1 3.57Å; W520-F524 HydrophobicContact CE3-CD1 3.57Å; W520-F524 AromaticContact CE3-CE1 3.5Å; W520-F524 HydrophobicContact CE3-CE1 3.5Å; W520-F524 AromaticContact CG-CD1 3.73Å; W520-F524 HydrophobicContact CG-CD1 3.73Å; W520-F524 HydrophobicContact CG-CE1 4.07Å; W520-F524 HydrophobicContact CH2-CE1 4.18Å; W520-F524 HydrophobicContact CZ2-CE1 4.17Å; W520-F524 HydrophobicContact CZ3-CD1 4.32Å; W520-F524 AromaticContact CZ3-CE1 3.85Å; W520-F524 HydrophobicContact CZ3-CE1 3.85Å; D521-F524 WeakPolarHBondContact O-CB 3.2Å; D521-F524 PolarHBondContact O-N 2.88Å; W522-F524 VanDerWaalsContact C-N 3.25Å; W522-F524 PolarHBondContact O-N 3.19Å; F524-L526 VanDerWaalsContact C-N 3.3Å; F524-L526 PolarHBondContact O-N 3.38Å; F524-V527 PolarHBondContact O-N 2.91Å; F524-V528 HydrophobicContact CD1-CG2 4.45Å; F524-V528 HydrophobicContact CD2-CG2 4.3Å; F524-V528 HydrophobicContact CE1-CG2 4.05Å; F524-V528 HydrophobicContact CE2-CG2 3.85Å; F524-V528 HydrophobicContact CZ-CG2 3.73Å; F524-V528 VanDerWaalsContact O-CG2 3.31Å; F524-V528 WeakPolarHBondContact O-CG2 3.36Å; F524-V528 PolarHBondContact O-N 3.2Å; F524-V528 VanDerWaalsContact O-N 3.09Å; F524-F557 HydrophobicContact CE2-CE1 4.48Å; F524-F557 HydrophobicContact CZ-CE1 4.15Å; F524-F557 AromaticContact CZ-CZ 3.78Å; F524-F557 HydrophobicContact CZ-CZ 3.78Å; F524-R724 HydrophobicContact CD2-CG 3.89Å; F524-R724 HydrophobicContact CE2-CG 3.49Å; F524-R724 VanDerWaalsContact CE2-CG 3.49Å; F524-R724 HydrophobicContact CZ-CG 4.5Å; F524-L727 HydrophobicContact CD1-CD1 4.25Å; F524-L727 HydrophobicContact CE1-CD1 3.74Å; F524-L727 HydrophobicContact CZ-CD1 3.91Å |
| 525 | K | 84.8 | Confident | 80 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 174.7 | -65 | -178 | 177 | 173.2 | 0 | 111.6 | W520 D521 W522 V528 L529 I623 F624 | W520-K525 HydrophobicContact CB-CD 4.47Å; W520-K525 HydrophobicContact CB-CG 3.8Å; W520-K525 HydrophobicContact CE3-CG 4.34Å; W520-K525 WeakPolarHBondContact O-CE 3.31Å; D521-K525 PolarHBondContact O-N 2.7Å; W522-K525 HydrophobicContact CD2-CD 4.46Å; W522-K525 HydrophobicContact CE3-CB 4.49Å; W522-K525 HydrophobicContact CE3-CD 4.06Å; W522-K525 HydrophobicContact CZ3-CD 4.28Å; W522-K525 PolarHBondContact O-N 3.29Å; W522-K525 VanDerWaalsContact O-N 3.14Å; K525-V528 PolarHBondContact O-N 2.71Å; K525-L529 WeakPolarHBondContact O-CB 3.29Å; K525-L529 WeakPolarHBondContact O-CG 3.4Å; K525-L529 PolarHBondContact O-N 3.15Å; K525-I623 HydrophobicContact CB-CG2 3.76Å; K525-I623 HydrophobicContact CD-CG2 4.21Å; K525-I623 WeakPolarHBondContact CE-O 3.29Å; K525-I623 HydrophobicContact CG-CG2 3.67Å; K525-F624 HydrophobicContact CD-CD1 4.47Å; K525-F624 PolarHBondContact NZ-O 2.79Å |
| 526 | L | 85.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | -178.9 | -67.7 | 177.7 | 0 | 0 | 0 | 112.1 | W522 F524 L529 H530 L680 F705 E708 V709 | W522-L526 VanDerWaalsContact O-CG 3.29Å; W522-L526 WeakPolarHBondContact O-CG 3.43Å; W522-L526 PolarHBondContact O-N 2.89Å; F524-L526 VanDerWaalsContact C-N 3.3Å; F524-L526 PolarHBondContact O-N 3.38Å; L526-L529 PolarHBondContact O-N 3.02Å; L526-H530 WeakPolarHBondContact O-CB 3.27Å; L526-H530 PolarHBondContact O-N 3.09Å; L526-L680 HydrophobicContact CD2-CD1 3.23Å; L526-F705 HydrophobicContact CD2-CD1 4.14Å; L526-F705 HydrophobicContact CD2-CE1 4.08Å; L526-E708 HydrophobicContact CD1-CG 4.36Å; L526-V709 HydrophobicContact CB-CG2 4.19Å |
| 527 | V | 82.2 | Confident | 83 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | P523 F524 L529 H530 D531 R724 | P523-V527 WeakPolarHBondContact O-CG2 3.33Å; P523-V527 PolarHBondContact O-N 3.43Å; P523-V527 VanDerWaalsContact O-N 3.14Å; F524-V527 PolarHBondContact O-N 2.91Å; V527-L529 VanDerWaalsContact C-N 3.35Å; V527-L529 PolarHBondContact O-N 3.18Å; V527-H530 PolarHBondContact O-N 3.36Å; V527-D531 WeakPolarHBondContact O-CB 3.39Å; V527-D531 PolarHBondContact O-N 3Å; V527-R724 VanDerWaalsContact CB-NH2 3.3Å |
| 528 | V | 87 | Confident | 84.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | L509 W520 F524 K525 L532 F557 V563 I623 | L509-V528 HydrophobicContact CD1-CG1 4.15Å; L509-V528 HydrophobicContact CD2-CG1 4.19Å; W520-V528 HydrophobicContact CZ3-CG1 4.32Å; W520-V528 HydrophobicContact CZ3-CG2 4.43Å; F524-V528 HydrophobicContact CD1-CG2 4.45Å; F524-V528 HydrophobicContact CD2-CG2 4.3Å; F524-V528 HydrophobicContact CE1-CG2 4.05Å; F524-V528 HydrophobicContact CE2-CG2 3.85Å; F524-V528 HydrophobicContact CZ-CG2 3.73Å; F524-V528 VanDerWaalsContact O-CG2 3.31Å; F524-V528 WeakPolarHBondContact O-CG2 3.36Å; F524-V528 PolarHBondContact O-N 3.2Å; F524-V528 VanDerWaalsContact O-N 3.09Å; K525-V528 PolarHBondContact O-N 2.71Å; V528-L532 HydrophobicContact CG1-CD1 4.5Å; V528-L532 WeakPolarHBondContact O-CG 3.46Å; V528-L532 PolarHBondContact O-N 3.45Å; V528-F557 HydrophobicContact CG2-CE1 3.99Å; V528-F557 HydrophobicContact CG2-CZ 3.9Å; V528-V563 HydrophobicContact CB-CG2 4.07Å; V528-V563 HydrophobicContact CG1-CG2 3.73Å; V528-V563 HydrophobicContact CG2-CG2 4.12Å; V528-I623 HydrophobicContact CG1-CD1 3.75Å |
| 529 | L | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.1 | -36 | -179.9 | -76.1 | 165.5 | 0 | 0 | 0 | 113.5 | K525 L526 V527 L532 A533 F616 M620 I623 F624 F705 | K525-L529 WeakPolarHBondContact O-CB 3.29Å; K525-L529 WeakPolarHBondContact O-CG 3.4Å; K525-L529 PolarHBondContact O-N 3.15Å; L526-L529 PolarHBondContact O-N 3.02Å; V527-L529 VanDerWaalsContact C-N 3.35Å; V527-L529 PolarHBondContact O-N 3.18Å; L529-L532 PolarHBondContact O-N 3.44Å; L529-A533 WeakPolarHBondContact O-CB 3.21Å; L529-A533 PolarHBondContact O-N 3.5Å; L529-F616 HydrophobicContact CD2-CE2 4.17Å; L529-F616 HydrophobicContact CD2-CZ 4.07Å; L529-M620 HydrophobicContact CD1-CB 4.44Å; L529-M620 HydrophobicContact CD1-CG 3.88Å; L529-M620 HydrophobicContact CD2-CB 3.91Å; L529-M620 HydrophobicContact CD2-CG 4.18Å; L529-I623 HydrophobicContact CD1-CG2 4.29Å; L529-I623 HydrophobicContact CD2-CD1 3.82Å; L529-I623 HydrophobicContact CG-CD1 3.94Å; L529-F624 HydrophobicContact CD1-CD1 4Å; L529-F624 HydrophobicContact CD1-CE1 3.39Å; L529-F624 HydrophobicContact CD1-CZ 4.23Å; L529-F705 HydrophobicContact CB-CD1 4.31Å; L529-F705 HydrophobicContact CB-CE1 3.58Å; L529-F705 HydrophobicContact CB-CE2 4.35Å; L529-F705 HydrophobicContact CB-CZ 3.61Å; L529-F705 HydrophobicContact CD1-CE1 4.08Å; L529-F705 HydrophobicContact CD1-CZ 4.09Å; L529-F705 HydrophobicContact CG-CE1 4.46Å; L529-F705 HydrophobicContact CG-CZ 4.33Å |
| 530 | H | 88.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 20.8 Ų | 20.8 | 10% | 0.102 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.3 | 176.3 | -85.5 | 0 | 0 | 0 | 111.5 | L526 V527 L532 A533 H534 F705 | L526-H530 WeakPolarHBondContact O-CB 3.27Å; L526-H530 PolarHBondContact O-N 3.09Å; V527-H530 PolarHBondContact O-N 3.36Å; H530-L532 VanDerWaalsContact C-N 3.32Å; H530-L532 PolarHBondContact O-N 3.09Å; H530-A533 PolarHBondContact O-N 2.85Å; H530-H534 AromaticContact CE1-CD2 3.23Å; H530-H534 PolarHBondContact CE1-CD2 2.8Å; H530-H534 AromaticContact CE1-NE2 3.35Å; H530-H534 PolarHBondContact CE1-NE2 2.84Å; H530-H534 AromaticContact ND1-CD2 3.69Å; H530-H534 AromaticContact NE2-CD2 3.61Å; H530-H534 AromaticContact NE2-NE2 3.37Å; H530-H534 PolarHBondContact NE2-NE2 2.9Å; H530-H534 PolarHBondContact O-N 2.81Å; H530-H534 VanDerWaalsContact O-N 3.09Å; H530-F705 HydrophobicContact CB-CB 4.2Å |
| 531 | D | 88.8 | Confident | 87 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.08 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.1 | -83.4 | -6.5 | 0 | 0 | 0 | 111.7 | N483 V527 G535 R562 V563 | N483-D531 WeakPolarHBondContact CB-O 3.49Å; N483-D531 VanDerWaalsContact CG-O 3.31Å; N483-D531 WeakPolarHBondContact ND2-CB 3.44Å; N483-D531 PolarHBondContact ND2-OD1 2.91Å; V527-D531 WeakPolarHBondContact O-CB 3.39Å; V527-D531 PolarHBondContact O-N 3Å; D531-G535 PolarHBondContact O-N 2.98Å; D531-R562 WeakPolarHBondContact OD2-CA 3.3Å; D531-V563 HydrophobicContact CB-CB 3.93Å; D531-V563 HydrophobicContact CB-CG2 4.24Å; D531-V563 PolarHBondContact OD2-N 3.16Å; D531-V563 VanDerWaalsContact OD2-N 3.15Å |
| 532 | L | 92.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 176.7 | -74.5 | 172.7 | 0 | 0 | 0 | 112.7 | L509 V528 L529 H530 G535 M536 C555 V563 I565 F616 I619 | L509-L532 HydrophobicContact CD2-CD1 4.28Å; V528-L532 HydrophobicContact CG1-CD1 4.5Å; V528-L532 WeakPolarHBondContact O-CG 3.46Å; V528-L532 PolarHBondContact O-N 3.45Å; L529-L532 PolarHBondContact O-N 3.44Å; H530-L532 VanDerWaalsContact C-N 3.32Å; H530-L532 PolarHBondContact O-N 3.09Å; L532-G535 PolarHBondContact O-N 3.46Å; L532-M536 PolarHBondContact O-N 3.45Å; L532-C555 HydrophobicContact CD2-CB 4.01Å; L532-C555 WeakPolarHBondContact CD2-SG 3.5Å; L532-V563 HydrophobicContact CD1-CG1 4.38Å; L532-V563 HydrophobicContact CD2-CB 4.35Å; L532-V563 HydrophobicContact CD2-CG1 3.42Å; L532-V563 VanDerWaalsContact CD2-CG1 3.42Å; L532-V563 HydrophobicContact CG-CB 4.29Å; L532-V563 HydrophobicContact CG-CG1 3.73Å; L532-I565 HydrophobicContact CD2-CD1 4.32Å; L532-I565 HydrophobicContact CD2-CG1 3.76Å; L532-F616 HydrophobicContact CB-CD2 4.32Å; L532-F616 HydrophobicContact CB-CE2 3.8Å; L532-I619 HydrophobicContact CD1-CG2 3.94Å |
| 533 | A | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L529 H530 M536 E537 F616 I701 A702 F705 | L529-A533 WeakPolarHBondContact O-CB 3.21Å; L529-A533 PolarHBondContact O-N 3.5Å; H530-A533 PolarHBondContact O-N 2.85Å; A533-M536 PolarHBondContact O-N 3.25Å; A533-E537 WeakPolarHBondContact O-CB 3.31Å; A533-E537 PolarHBondContact O-N 2.89Å; A533-F616 HydrophobicContact CB-CE2 4.29Å; A533-F616 HydrophobicContact CB-CZ 4.11Å; A533-I701 HydrophobicContact CB-CG2 3.98Å; A533-A702 HydrophobicContact CB-CB 4.34Å; A533-F705 HydrophobicContact CB-CD2 4.22Å |
| 534 | H | 91.2 | Very high | 86.1 | Confident | 53 Ų | 53 | 27.7 Ų | 27.7 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 175.5 | -85.4 | -57.3 | 0 | 0 | 0 | 113.2 | H530 M536 E537 F538 | H530-H534 AromaticContact CE1-CD2 3.23Å; H530-H534 PolarHBondContact CE1-CD2 2.8Å; H530-H534 AromaticContact CE1-NE2 3.35Å; H530-H534 PolarHBondContact CE1-NE2 2.84Å; H530-H534 AromaticContact ND1-CD2 3.69Å; H530-H534 AromaticContact NE2-CD2 3.61Å; H530-H534 AromaticContact NE2-NE2 3.37Å; H530-H534 PolarHBondContact NE2-NE2 2.9Å; H530-H534 PolarHBondContact O-N 2.81Å; H530-H534 VanDerWaalsContact O-N 3.09Å; H534-M536 VanDerWaalsContact C-N 3.33Å; H534-M536 PolarHBondContact O-N 3.09Å; H534-E537 IonicContact CE1-OE2 2.85Å; H534-E537 IonicContact ND1-OE2 3.56Å; H534-E537 PolarHBondContact ND1-OE2 3.12Å; H534-F538 WeakPolarHBondContact O-CB 3.47Å; H534-F538 PolarHBondContact O-N 2.92Å |
| 535 | G | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D531 L532 I539 | D531-G535 PolarHBondContact O-N 2.98Å; L532-G535 PolarHBondContact O-N 3.46Å; G535-I539 WeakPolarHBondContact O-CG1 3.46Å; G535-I539 PolarHBondContact O-N 3.37Å; G535-I539 VanDerWaalsContact O-N 3.14Å |
| 536 | M | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.4 | -38.7 | 178.1 | -76.8 | -54.7 | -50.9 | 0 | 0 | 113.5 | L532 A533 H534 F538 I539 H540 H547 L550 I565 D612 F698 | L532-M536 PolarHBondContact O-N 3.45Å; A533-M536 PolarHBondContact O-N 3.25Å; H534-M536 VanDerWaalsContact C-N 3.33Å; H534-M536 PolarHBondContact O-N 3.09Å; M536-F538 VanDerWaalsContact C-N 3.26Å; M536-F538 PolarHBondContact O-N 2.71Å; M536-I539 PolarHBondContact O-N 3.23Å; M536-I539 VanDerWaalsContact O-N 3.16Å; M536-I539 HydrophobicContact SD-CD1 3.93Å; M536-H540 WeakPolarHBondContact CE-NE2 3.2Å; M536-H540 PolarHBondContact O-N 3.3Å; M536-H547 HydrophobicContact CE-CB 3.83Å; M536-H547 HydrophobicContact SD-CB 4.05Å; M536-L550 HydrophobicContact CE-CD2 4.43Å; M536-L550 HydrophobicContact CG-CD2 3.94Å; M536-L550 HydrophobicContact SD-CD1 3.94Å; M536-L550 HydrophobicContact SD-CD2 3.88Å; M536-L550 HydrophobicContact SD-CG 4.45Å; M536-I565 HydrophobicContact CB-CD1 4.46Å; M536-I565 HydrophobicContact CG-CD1 3.67Å; M536-I565 HydrophobicContact SD-CD1 3.8Å; M536-D612 HydrophobicContact CE-CB 3.68Å; M536-D612 WeakPolarHBondContact CE-OD2 3.28Å; M536-F698 HydrophobicContact CB-CD1 3.44Å; M536-F698 VanDerWaalsContact CB-CD1 3.44Å; M536-F698 HydrophobicContact CB-CD2 3.98Å; M536-F698 HydrophobicContact CB-CE1 3.32Å; M536-F698 HydrophobicContact CB-CE2 3.85Å; M536-F698 HydrophobicContact CB-CG 3.76Å; M536-F698 HydrophobicContact CB-CZ 3.52Å; M536-F698 HydrophobicContact CE-CE2 4.02Å; M536-F698 HydrophobicContact CE-CZ 4.18Å; M536-F698 HydrophobicContact CG-CD1 4.37Å; M536-F698 HydrophobicContact CG-CE1 3.75Å; M536-F698 HydrophobicContact CG-CE2 4.34Å; M536-F698 HydrophobicContact CG-CZ 3.72Å |
| 537 | E | 91.8 | Very high | 86.4 | Confident | 36 Ų | 36 | 31.9 Ų | 31.9 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.8 | -48.2 | 170.9 | -179.9 | -176.2 | -154.1 | 0 | 0 | 110.5 | A533 H534 I539 H540 M541 F698 Q699 | A533-E537 WeakPolarHBondContact O-CB 3.31Å; A533-E537 PolarHBondContact O-N 2.89Å; H534-E537 IonicContact CE1-OE2 2.85Å; H534-E537 IonicContact ND1-OE2 3.56Å; H534-E537 PolarHBondContact ND1-OE2 3.12Å; E537-I539 PolarHBondContact O-N 2.88Å; E537-H540 PolarHBondContact O-N 3.06Å; E537-M541 HydrophobicContact CG-SD 4.08Å; E537-M541 WeakPolarHBondContact O-CB 3.31Å; E537-M541 WeakPolarHBondContact O-CG 3.43Å; E537-M541 PolarHBondContact O-N 2.66Å; E537-F698 HydrophobicContact CB-CB 3.94Å; E537-Q699 WeakPolarHBondContact OE1-CA 3.36Å |
| 538 | F | 91.2 | Very high | 86.5 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.8 | -178.4 | -95.7 | 0 | 0 | 0 | 112.4 | G478 L479 H481 V484 H534 M536 H540 M541 K542 | G478-F538 WeakPolarHBondContact O-CZ 3.36Å; L479-F538 HydrophobicContact CD2-CD1 4.43Å; L479-F538 HydrophobicContact CD2-CE1 3.93Å; H481-F538 HydrophobicContact CB-CD1 3.58Å; H481-F538 HydrophobicContact CB-CD2 4.19Å; H481-F538 HydrophobicContact CB-CE1 3.67Å; H481-F538 HydrophobicContact CB-CE2 4.27Å; H481-F538 HydrophobicContact CB-CG 3.84Å; H481-F538 HydrophobicContact CB-CZ 4.02Å; H481-F538 AromaticContact CD2-CD2 3.74Å; H481-F538 AromaticContact CD2-CG 3.77Å; H481-F538 AromaticContact CG-CG 3.8Å; V484-F538 HydrophobicContact CG2-CD1 4.12Å; H534-F538 WeakPolarHBondContact O-CB 3.47Å; H534-F538 PolarHBondContact O-N 2.92Å; M536-F538 VanDerWaalsContact C-N 3.26Å; M536-F538 PolarHBondContact O-N 2.71Å; F538-H540 VanDerWaalsContact C-N 3.34Å; F538-H540 PolarHBondContact O-N 3.15Å; F538-M541 PolarHBondContact O-N 3.31Å; F538-K542 HydrophobicContact CD2-CG 4.19Å; F538-K542 HydrophobicContact CE1-CB 4.28Å; F538-K542 HydrophobicContact CE1-CG 4.44Å; F538-K542 HydrophobicContact CE2-CB 4.41Å; F538-K542 HydrophobicContact CE2-CD 4.4Å; F538-K542 HydrophobicContact CE2-CG 3.73Å; F538-K542 HydrophobicContact CZ-CB 4.2Å; F538-K542 HydrophobicContact CZ-CD 4.35Å; F538-K542 HydrophobicContact CZ-CG 3.88Å; F538-K542 WeakPolarHBondContact O-CB 3.39Å; F538-K542 PolarHBondContact O-N 2.86Å |
| 539 | I | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 178.9 | -70 | 164.5 | 0 | 0 | 0 | 111.6 | V484 G535 M536 E537 G545 I565 L567 | V484-I539 HydrophobicContact CG1-CD1 4.38Å; V484-I539 HydrophobicContact CG1-CG1 4.42Å; V484-I539 HydrophobicContact CG2-CD1 4.03Å; V484-I539 HydrophobicContact CG2-CG1 3.97Å; G535-I539 WeakPolarHBondContact O-CG1 3.46Å; G535-I539 PolarHBondContact O-N 3.37Å; G535-I539 VanDerWaalsContact O-N 3.14Å; M536-I539 PolarHBondContact O-N 3.23Å; M536-I539 VanDerWaalsContact O-N 3.16Å; M536-I539 HydrophobicContact SD-CD1 3.93Å; E537-I539 PolarHBondContact O-N 2.88Å; I539-G545 PolarHBondContact O-N 2.89Å; I539-I565 HydrophobicContact CD1-CB 4.41Å; I539-I565 HydrophobicContact CD1-CD1 4.17Å; I539-I565 HydrophobicContact CD1-CG2 4.09Å; I539-L567 HydrophobicContact CD1-CD2 4.08Å |
| 540 | H | 90.2 | Very high | 86.3 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70 | -36.5 | 179.4 | -73.6 | -169.1 | 0 | 0 | 0 | 112.5 | M536 E537 F538 G545 D609 D612 F698 | M536-H540 WeakPolarHBondContact CE-NE2 3.2Å; M536-H540 PolarHBondContact O-N 3.3Å; E537-H540 PolarHBondContact O-N 3.06Å; F538-H540 VanDerWaalsContact C-N 3.34Å; F538-H540 PolarHBondContact O-N 3.15Å; H540-G545 PolarHBondContact CD2-O 3.46Å; H540-G545 VanDerWaalsContact CD2-O 3.24Å; H540-D609 PolarHBondContact CE1-O 3.42Å; H540-D612 IonicContact CD2-OD2 3.63Å; H540-D612 IonicContact CE1-OD2 2.67Å; H540-D612 IonicContact NE2-OD2 3.57Å; H540-D612 PolarHBondContact NE2-OD2 3.44Å; H540-F698 AromaticContact CE1-CD2 3.3Å; H540-F698 WeakPolarHBondContact CE1-CD2 3.47Å; H540-F698 AromaticContact CE1-CE2 3.31Å; H540-F698 WeakPolarHBondContact CE1-CE2 3.37Å; H540-F698 AromaticContact ND1-CD2 3.29Å; H540-F698 VanDerWaalsContact ND1-CD2 3.29Å; H540-F698 WeakPolarHBondContact ND1-CD2 3.34Å; H540-F698 AromaticContact ND1-CE2 3.83Å |
| 541 | M | 86 | Confident | 86.4 | Confident | 143 Ų | 143 | 33.9 Ų | 33.9 | 70% | 0.704 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -78.3 | -36.9 | 178.4 | -69 | -177.3 | 76 | 0 | 0 | 113.4 | E537 F538 G543 | E537-M541 HydrophobicContact CG-SD 4.08Å; E537-M541 WeakPolarHBondContact O-CB 3.31Å; E537-M541 WeakPolarHBondContact O-CG 3.43Å; E537-M541 PolarHBondContact O-N 2.66Å; F538-M541 PolarHBondContact O-N 3.31Å; M541-G543 PolarHBondContact O-N 3.24Å |
| 542 | K | 72.8 | Confident | 86.5 | Confident | 114 Ų | 114 | 33.2 Ų | 33.2 | 50% | 0.496 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 80.9 | -174 | -84.4 | -95.6 | -176.3 | 172.9 | 0 | 112.4 | F538 I544 | F538-K542 HydrophobicContact CD2-CG 4.19Å; F538-K542 HydrophobicContact CE1-CB 4.28Å; F538-K542 HydrophobicContact CE1-CG 4.44Å; F538-K542 HydrophobicContact CE2-CB 4.41Å; F538-K542 HydrophobicContact CE2-CD 4.4Å; F538-K542 HydrophobicContact CE2-CG 3.73Å; F538-K542 HydrophobicContact CZ-CB 4.2Å; F538-K542 HydrophobicContact CZ-CD 4.35Å; F538-K542 HydrophobicContact CZ-CG 3.88Å; F538-K542 WeakPolarHBondContact O-CB 3.39Å; F538-K542 PolarHBondContact O-N 2.86Å; K542-I544 PolarHBondContact O-N 3.48Å |
| 543 | G | 65 | Low | 86.2 | Confident | 68 Ų | 68 | 36 Ų | 36 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -24.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | M541 | M541-G543 PolarHBondContact O-N 3.24Š|
| 544 | I | 75.8 | Confident | 85.9 | Confident | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -83.1 | -31 | 174.2 | -54.8 | -174.6 | 0 | 0 | 0 | 110.5 | I475 L479 K542 Y546 F570 C572 | I475-I544 HydrophobicContact CG1-CD1 4.38Å; I475-I544 HydrophobicContact CG1-CG1 4.32Å; I475-I544 HydrophobicContact CG2-CD1 3.88Å; L479-I544 HydrophobicContact CD1-CD1 3.35Å; L479-I544 HydrophobicContact CD2-CD1 3.67Å; L479-I544 HydrophobicContact CD2-CG1 4.41Å; L479-I544 HydrophobicContact CG-CD1 3.66Å; K542-I544 PolarHBondContact O-N 3.48Å; I544-Y546 WeakPolarHBondContact CG2-O 3.46Å; I544-Y546 PolarHBondContact O-N 3.27Å; I544-Y546 VanDerWaalsContact O-N 3.14Å; I544-F570 HydrophobicContact CD1-CE1 4.15Å; I544-C572 HydrophobicContact CG2-CB 4.1Å |
| 545 | G | 80.2 | Confident | 85.9 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | trans | 84.8 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I539 H540 | I539-G545 PolarHBondContact O-N 2.89Å; H540-G545 PolarHBondContact CD2-O 3.46Å; H540-G545 VanDerWaalsContact CD2-O 3.24Å | ||
| 546 | Y | 86.3 | Confident | 85.6 | Confident | 74 Ų | 74 | 34.1 Ų | 34.1 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | trans | -155.5 | 162.4 | -179.5 | 64.6 | -87.5 | 0 | 0 | 0 | 112.6 | I544 Q571 M608 D612 | I544-Y546 WeakPolarHBondContact CG2-O 3.46Å; I544-Y546 PolarHBondContact O-N 3.27Å; I544-Y546 VanDerWaalsContact O-N 3.14Å; Y546-Q571 HydrophobicContact CE2-CB 3.97Å; Y546-Q571 HydrophobicContact CE2-CG 4.15Å; Y546-M608 HydrophobicContact CD1-CB 3.71Å; Y546-M608 HydrophobicContact CD1-CG 4.39Å; Y546-M608 HydrophobicContact CD2-CB 3.4Å; Y546-M608 HydrophobicContact CD2-CG 3.96Å; Y546-M608 HydrophobicContact CE1-CB 4.13Å; Y546-M608 HydrophobicContact CE1-CG 4.31Å; Y546-M608 HydrophobicContact CE2-CB 3.83Å; Y546-M608 HydrophobicContact CE2-CG 3.85Å; Y546-M608 HydrophobicContact CG-CB 3.33Å; Y546-M608 HydrophobicContact CG-CG 4.23Å; Y546-D612 WeakPolarHBondContact CA-OD2 3.41Å; Y546-D612 WeakPolarHBondContact CB-OD2 3.38Å | ||
| 547 | H | 87.2 | Confident | 85 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -92.2 | -48.6 | 175.9 | -178.1 | -75.6 | 0 | 0 | 0 | 111.8 | M536 S549 L550 I565 S566 D612 | M536-H547 HydrophobicContact CE-CB 3.83Å; M536-H547 HydrophobicContact SD-CB 4.05Å; H547-S549 VanDerWaalsContact C-N 3.33Å; H547-S549 PolarHBondContact CE1-OG 3.22Å; H547-S549 PolarHBondContact ND1-N 2.89Å; H547-S549 PolarHBondContact O-N 2.89Å; H547-L550 PolarHBondContact ND1-N 3.36Å; H547-L550 VanDerWaalsContact ND1-N 3.14Å; H547-I565 VanDerWaalsContact CD2-CG2 3.46Å; H547-I565 WeakPolarHBondContact CD2-CG2 3.39Å; H547-S566 PolarHBondContact NE2-O 3.08Å; H547-D612 PolarHBondContact N-OD2 3.32Å | ||
| 548 | G | 83.5 | Confident | 84.2 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 87.7 | -30.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | D612 | G548-D612 PolarHBondContact N-OD1 2.94Š|
| 549 | S | 84.3 | Confident | 83 | Confident | 31 Ų | 31 | 38.3 Ų | 38.3 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | trans | -126.6 | 35.3 | 179.6 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | H547 S551 D569 | H547-S549 VanDerWaalsContact C-N 3.33Å; H547-S549 PolarHBondContact CE1-OG 3.22Å; H547-S549 PolarHBondContact ND1-N 2.89Å; H547-S549 PolarHBondContact O-N 2.89Å; S549-S551 PolarHBondContact O-N 3.2Å; S549-D569 WeakPolarHBondContact OG-CB 3.43Å; S549-D569 PolarHBondContact OG-OD2 3.17Å; S549-D569 VanDerWaalsContact OG-OD2 3.13Å | ||
| 550 | L | 90.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -65.6 | 123.3 | -173.9 | -175.1 | 67.5 | 0 | 0 | 0 | 111.3 | M536 H547 I565 S615 F616 I619 | M536-L550 HydrophobicContact CE-CD2 4.43Å; M536-L550 HydrophobicContact CG-CD2 3.94Å; M536-L550 HydrophobicContact SD-CD1 3.94Å; M536-L550 HydrophobicContact SD-CD2 3.88Å; M536-L550 HydrophobicContact SD-CG 4.45Å; H547-L550 PolarHBondContact ND1-N 3.36Å; H547-L550 VanDerWaalsContact ND1-N 3.14Å; L550-I565 HydrophobicContact CD1-CG2 4.15Å; L550-S615 WeakPolarHBondContact O-CB 3.41Å; L550-F616 HydrophobicContact CD2-CB 3.84Å; L550-I619 HydrophobicContact CD1-CD1 4.28Å; L550-I619 HydrophobicContact CD2-CD1 4.32Å; L550-I619 HydrophobicContact CG-CD1 3.81Å | ||
| 551 | S | 90.7 | Very high | 80.9 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -155.4 | 172.8 | -178.6 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | S549 S553 S554 C555 | S549-S551 PolarHBondContact O-N 3.2Å; S551-S553 PolarHBondContact O-N 3.25Å; S551-S553 PolarHBondContact OG-OG 3.11Å; S551-S554 PolarHBondContact N-OG 3.35Å; S551-S554 PolarHBondContact O-N 2.98Å; S551-S554 VanDerWaalsContact O-N 3.15Å; S551-S554 PolarHBondContact O-OG 2.96Å; S551-S554 PolarHBondContact OG-N 3.16Å; S551-C555 PolarHBondContact O-SG 3.07Å |
| 552 | T | 90.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.8 | 175.5 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | L509 R510 L513 W593 I619 E622 | L509-T552 WeakPolarHBondContact CB-O 3.47Å; L509-T552 HydrophobicContact CD2-CG2 4.2Å; L509-T552 HydrophobicContact CG-CG2 4.46Å; L509-T552 PolarHBondContact N-O 3.08Å; R510-T552 PolarHBondContact N-O 3.06Å; L513-T552 HydrophobicContact CD1-CG2 3.9Å; T552-W593 WeakPolarHBondContact OG1-CZ2 3.33Å; T552-I619 HydrophobicContact CG2-CB 4.31Å; T552-I619 HydrophobicContact CG2-CG1 3.99Å; T552-I619 HydrophobicContact CG2-CG2 3.88Å; T552-E622 HydrophobicContact CG2-CG 4.47Å; T552-E622 WeakPolarHBondContact CG2-OE2 3.34Å; T552-E622 PolarHBondContact OG1-OE1 2.76Å; T552-E622 PolarHBondContact OG1-OE2 3.46Å; T552-E622 VanDerWaalsContact OG1-OE2 3.04Å |
| 553 | S | 86.1 | Confident | 81.3 | Confident | 60 Ų | 60 | 34.9 Ų | 34.9 | 42% | 0.42 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -25.1 | 171.3 | 47 | 0 | 0 | 0 | 0 | 113.1 | C508 S551 C555 | C508-S553 WeakPolarHBondContact CB-O 3.29Å; S551-S553 PolarHBondContact O-N 3.25Å; S551-S553 PolarHBondContact OG-OG 3.11Å; S553-C555 PolarHBondContact O-N 3.09Å |
| 554 | S | 87 | Confident | 82.4 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -83.1 | 3.3 | 175.2 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | S551 S566 | S551-S554 PolarHBondContact N-OG 3.35Å; S551-S554 PolarHBondContact O-N 2.98Å; S551-S554 VanDerWaalsContact O-N 3.15Å; S551-S554 PolarHBondContact O-OG 2.96Å; S551-S554 PolarHBondContact OG-N 3.16Å; S554-S566 WeakPolarHBondContact O-CA 3.36Å; S554-S566 WeakPolarHBondContact O-CB 3.43Å; S554-S566 PolarHBondContact O-N 3.36Å |
| 555 | C | 90.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.3 | 180 | -60 | 0 | 0 | 0 | 0 | 109.4 | C508 L509 L532 S551 S553 V563 K564 | C508-C555 CarbonylContact C-O 3.51Å; C508-C555 WeakPolarHBondContact CA-O 3.47Å; C508-C555 WeakPolarHBondContact CB-O 3.48Å; L509-C555 HydrophobicContact CB-CB 3.99Å; L509-C555 HydrophobicContact CD2-CB 4.19Å; L509-C555 PolarHBondContact N-O 3.42Å; L532-C555 HydrophobicContact CD2-CB 4.01Å; L532-C555 WeakPolarHBondContact CD2-SG 3.5Å; S551-C555 PolarHBondContact O-SG 3.07Å; S553-C555 PolarHBondContact O-N 3.09Å; C555-V563 HydrophobicContact CB-CG1 4.04Å; C555-K564 WeakPolarHBondContact CA-O 3.11Å |
| 556 | Y | 85.2 | Confident | 83.5 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.5 | 178.5 | 65.5 | -87.7 | 0 | 0 | 0 | 111.9 | Q485 R506 V563 K564 | Q485-Y556 WeakPolarHBondContact CA-OH 3.42Å; Q485-Y556 HydrophobicContact CB-CE1 3.91Å; Q485-Y556 WeakPolarHBondContact CB-OH 3.29Å; Q485-Y556 HydrophobicContact CG-CE1 4.12Å; Q485-Y556 WeakPolarHBondContact CG-OH 3.13Å; R506-Y556 HydrophobicContact CB-CD2 4.3Å; Y556-V563 WeakPolarHBondContact O-CA 3.39Å; Y556-K564 HydrophobicContact CD1-CB 4.38Å; Y556-K564 WeakPolarHBondContact CD1-O 3.26Å; Y556-K564 HydrophobicContact CD2-CB 4.28Å; Y556-K564 HydrophobicContact CE1-CB 3.81Å; Y556-K564 HydrophobicContact CE2-CB 3.7Å; Y556-K564 HydrophobicContact CE2-CD 4.06Å; Y556-K564 HydrophobicContact CE2-CG 4.27Å; Y556-K564 VanDerWaalsContact CZ-CB 3.42Å; Y556-K564 PolarHBondContact N-O 3Å; Y556-K564 PolarHBondContact O-N 2.81Å; Y556-K564 WeakPolarHBondContact OH-CD 3.26Å |
| 557 | F | 81.2 | Confident | 83.1 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 136.9 | 173.7 | -73 | -77.6 | 0 | 0 | 0 | 111.3 | R506 L509 F512 F524 V528 M561 R562 V563 | R506-F557 WeakPolarHBondContact CD-O 3.42Å; L509-F557 HydrophobicContact CD1-CE2 3.54Å; L509-F557 HydrophobicContact CD1-CZ 3.78Å; F512-F557 HydrophobicContact CB-CE2 4.36Å; F512-F557 HydrophobicContact CD1-CD2 4.32Å; F512-F557 HydrophobicContact CD1-CE2 4.18Å; F512-F557 AromaticContact CD2-CD2 3.6Å; F512-F557 HydrophobicContact CD2-CD2 3.6Å; F512-F557 AromaticContact CD2-CE2 3.88Å; F512-F557 HydrophobicContact CD2-CE2 3.88Å; F512-F557 HydrophobicContact CE1-CD2 4.24Å; F512-F557 HydrophobicContact CE1-CE2 4.48Å; F512-F557 HydrophobicContact CE2-CB 4.49Å; F512-F557 AromaticContact CE2-CD2 3.47Å; F512-F557 HydrophobicContact CE2-CD2 3.47Å; F512-F557 VanDerWaalsContact CE2-CD2 3.47Å; F512-F557 HydrophobicContact CE2-CE2 4.18Å; F512-F557 HydrophobicContact CE2-CG 4.41Å; F512-F557 HydrophobicContact CG-CD2 4.04Å; F512-F557 AromaticContact CG-CE2 3.89Å; F512-F557 HydrophobicContact CG-CE2 3.89Å; F512-F557 AromaticContact CZ-CD2 3.82Å; F512-F557 HydrophobicContact CZ-CD2 3.82Å; F512-F557 HydrophobicContact CZ-CE2 4.48Å; F524-F557 HydrophobicContact CE2-CE1 4.48Å; F524-F557 HydrophobicContact CZ-CE1 4.15Å; F524-F557 AromaticContact CZ-CZ 3.78Å; F524-F557 HydrophobicContact CZ-CZ 3.78Å; V528-F557 HydrophobicContact CG2-CE1 3.99Å; V528-F557 HydrophobicContact CG2-CZ 3.9Å; F557-M561 HydrophobicContact CB-SD 4.15Å; F557-M561 HydrophobicContact CD1-CE 4.14Å; F557-M561 HydrophobicContact CD1-SD 4.24Å; F557-M561 HydrophobicContact CE1-CE 4.38Å; F557-M561 HydrophobicContact CG-CE 4.37Å; F557-M561 HydrophobicContact CG-SD 4.27Å; F557-R562 CarbonylContact C-O 3.49Å; F557-R562 WeakPolarHBondContact CA-O 3.37Å; F557-V563 HydrophobicContact CD1-CG2 4.18Å; F557-V563 HydrophobicContact CE1-CG2 3.71Å; F557-V563 HydrophobicContact CZ-CG2 4.26Å |
| 558 | D | 74.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 8% | 0.075 | 15% | 0.15 | C | C | . | . | trans | -83.5 | 178.4 | 168.5 | 85 | -10.1 | 0 | 0 | 0 | 113.2 | R506 H560 M561 R562 K564 | R506-D558 VanDerWaalsContact NH1-CB 3.34Å; D558-H560 PolarHBondContact O-N 2.89Å; D558-H560 VanDerWaalsContact OD1-CA 3.28Å; D558-H560 WeakPolarHBondContact OD1-CA 3.39Å; D558-H560 WeakPolarHBondContact OD1-CB 3.39Å; D558-H560 PolarHBondContact OD1-N 3.33Å; D558-H560 IonicContact OD2-ND1 2.8Å; D558-M561 PolarHBondContact O-N 2.82Å; D558-M561 PolarHBondContact OD1-N 3.35Å; D558-R562 PolarHBondContact N-O 3.37Å; D558-R562 PolarHBondContact OD1-N 2.87Å; D558-K564 HydrophobicContact CB-CD 4.14Å; D558-K564 HydrophobicContact CB-CG 4.28Å | ||
| 559 | L | 65.3 | Low | 81.4 | Confident | 140 Ų | 140 | 26.6 Ų | 26.6 | 73% | 0.733 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.2 | 177.6 | -75.5 | 166.2 | 0 | 0 | 0 | 113 | M561 | L559-M561 VanDerWaalsContact C-N 3.31Š|
| 560 | H | 66.8 | Low | 80.6 | Confident | 126 Ų | 126 | 25.5 Ų | 25.5 | 58% | 0.583 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 10.2 | 176.6 | -52.3 | 108.4 | 0 | 0 | 0 | 112 | D558 R562 | D558-H560 PolarHBondContact O-N 2.89Å; D558-H560 VanDerWaalsContact OD1-CA 3.28Å; D558-H560 WeakPolarHBondContact OD1-CA 3.39Å; D558-H560 WeakPolarHBondContact OD1-CB 3.39Å; D558-H560 PolarHBondContact OD1-N 3.33Å; D558-H560 IonicContact OD2-ND1 2.8Å; H560-R562 HydrophobicContact CB-CG 4.45Å; H560-R562 PolarHBondContact O-N 3.39Å |
| 561 | M | 70 | Confident | 79.7 | Confident | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.059 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 58.9 | 29 | -177.6 | -67.9 | -67.6 | -72.9 | 0 | 0 | 114.2 | F557 D558 L559 R724 L728 | F557-M561 HydrophobicContact CB-SD 4.15Å; F557-M561 HydrophobicContact CD1-CE 4.14Å; F557-M561 HydrophobicContact CD1-SD 4.24Å; F557-M561 HydrophobicContact CE1-CE 4.38Å; F557-M561 HydrophobicContact CG-CE 4.37Å; F557-M561 HydrophobicContact CG-SD 4.27Å; D558-M561 PolarHBondContact O-N 2.82Å; D558-M561 PolarHBondContact OD1-N 3.35Å; L559-M561 VanDerWaalsContact C-N 3.31Å; M561-R724 HydrophobicContact CB-CB 4.29Å; M561-R724 HydrophobicContact CB-CG 4.2Å; M561-R724 HydrophobicContact CE-CB 3.65Å; M561-R724 HydrophobicContact CE-CG 3.79Å; M561-R724 HydrophobicContact CG-CB 4.07Å; M561-R724 HydrophobicContact CG-CG 4.48Å; M561-R724 PolarHBondContact O-NH1 2.89Å; M561-L728 HydrophobicContact CE-CD1 4.12Å; M561-L728 HydrophobicContact CE-CG 4.03Å; M561-L728 HydrophobicContact CG-CD1 3.7Å; M561-L728 HydrophobicContact SD-CD1 3.26Å; M561-L728 WeakPolarHBondContact SD-CD1 3.38Å; M561-L728 HydrophobicContact SD-CD2 3.97Å; M561-L728 HydrophobicContact SD-CG 3.57Å; M561-L728 VanDerWaalsContact SD-CG 3.57Å |
| 562 | R | 78.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 27.2 Ų | 27.2 | 33% | 0.328 | 14% | 0.137 | S | C | . | . | trans | -86.3 | 144.8 | 166.4 | -61.5 | 179.5 | -176.1 | -179.1 | 1.8 | 109.3 | D531 F557 D558 H560 | D531-R562 WeakPolarHBondContact OD2-CA 3.3Å; F557-R562 CarbonylContact C-O 3.49Å; F557-R562 WeakPolarHBondContact CA-O 3.37Å; D558-R562 PolarHBondContact N-O 3.37Å; D558-R562 PolarHBondContact OD1-N 2.87Å; H560-R562 HydrophobicContact CB-CG 4.45Å; H560-R562 PolarHBondContact O-N 3.39Å | ||
| 563 | V | 87.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.8 | 171.9 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | N483 V528 D531 L532 C555 Y556 F557 | N483-V563 WeakPolarHBondContact CA-O 3.27Å; N483-V563 WeakPolarHBondContact CB-O 3.13Å; N483-V563 PolarHBondContact ND2-O 3.33Å; V528-V563 HydrophobicContact CB-CG2 4.07Å; V528-V563 HydrophobicContact CG1-CG2 3.73Å; V528-V563 HydrophobicContact CG2-CG2 4.12Å; D531-V563 HydrophobicContact CB-CB 3.93Å; D531-V563 HydrophobicContact CB-CG2 4.24Å; D531-V563 PolarHBondContact OD2-N 3.16Å; D531-V563 VanDerWaalsContact OD2-N 3.15Å; L532-V563 HydrophobicContact CD1-CG1 4.38Å; L532-V563 HydrophobicContact CD2-CB 4.35Å; L532-V563 HydrophobicContact CD2-CG1 3.42Å; L532-V563 VanDerWaalsContact CD2-CG1 3.42Å; L532-V563 HydrophobicContact CG-CB 4.29Å; L532-V563 HydrophobicContact CG-CG1 3.73Å; C555-V563 HydrophobicContact CB-CG1 4.04Å; Y556-V563 WeakPolarHBondContact O-CA 3.39Å; F557-V563 HydrophobicContact CD1-CG2 4.18Å; F557-V563 HydrophobicContact CE1-CG2 3.71Å; F557-V563 HydrophobicContact CZ-CG2 4.26Å |
| 564 | K | 89.3 | Confident | 77.6 | Confident | 20 Ų | 20 | 25.3 Ų | 25.3 | 9% | 0.087 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.3 | 171.6 | -66.8 | -163.1 | 177.7 | -143.6 | 0 | 110.3 | P482 N483 E502 C555 Y556 D558 | P482-K564 WeakPolarHBondContact O-CE 3.38Å; P482-K564 WeakPolarHBondContact O-CG 3.36Å; N483-K564 WeakPolarHBondContact O-CA 3.37Å; E502-K564 VanDerWaalsContact OE1-CD 3.29Å; E502-K564 WeakPolarHBondContact OE1-CD 3.37Å; E502-K564 WeakPolarHBondContact OE1-CE 3.26Å; E502-K564 IonicContact OE1-NZ 3.44Å; E502-K564 PolarHBondContact OE1-NZ 3.24Å; E502-K564 IonicContact OE2-NZ 3.95Å; E502-K564 PolarHBondContact OE2-NZ 2.92Å; C555-K564 WeakPolarHBondContact CA-O 3.11Å; Y556-K564 HydrophobicContact CD1-CB 4.38Å; Y556-K564 WeakPolarHBondContact CD1-O 3.26Å; Y556-K564 HydrophobicContact CD2-CB 4.28Å; Y556-K564 HydrophobicContact CE1-CB 3.81Å; Y556-K564 HydrophobicContact CE2-CB 3.7Å; Y556-K564 HydrophobicContact CE2-CD 4.06Å; Y556-K564 HydrophobicContact CE2-CG 4.27Å; Y556-K564 VanDerWaalsContact CZ-CB 3.42Å; Y556-K564 PolarHBondContact N-O 3Å; Y556-K564 PolarHBondContact O-N 2.81Å; Y556-K564 WeakPolarHBondContact OH-CD 3.26Å; D558-K564 HydrophobicContact CB-CD 4.14Å; D558-K564 HydrophobicContact CB-CG 4.28Å |
| 565 | I | 91.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.8 | 175.4 | -57.9 | 165 | 0 | 0 | 0 | 108.2 | N483 Q485 L532 M536 I539 H547 L550 | N483-I565 PolarHBondContact O-N 3.05Å; Q485-I565 VanDerWaalsContact CB-O 3.25Å; Q485-I565 WeakPolarHBondContact CB-O 2.96Å; Q485-I565 PolarHBondContact N-O 3.12Å; L532-I565 HydrophobicContact CD2-CD1 4.32Å; L532-I565 HydrophobicContact CD2-CG1 3.76Å; M536-I565 HydrophobicContact CB-CD1 4.46Å; M536-I565 HydrophobicContact CG-CD1 3.67Å; M536-I565 HydrophobicContact SD-CD1 3.8Å; I539-I565 HydrophobicContact CD1-CB 4.41Å; I539-I565 HydrophobicContact CD1-CD1 4.17Å; I539-I565 HydrophobicContact CD1-CG2 4.09Å; H547-I565 VanDerWaalsContact CD2-CG2 3.46Å; H547-I565 WeakPolarHBondContact CD2-CG2 3.39Å; L550-I565 HydrophobicContact CD1-CG2 4.15Å |
| 566 | S | 86.7 | Confident | 76.6 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | trans | -71.4 | 130.4 | 174 | -177.9 | 0 | 0 | 0 | 0 | 110 | Q485 H547 S554 T568 | Q485-S566 PolarHBondContact OE1-OG 3.17Å; Q485-S566 VanDerWaalsContact OE1-OG 3.11Å; H547-S566 PolarHBondContact NE2-O 3.08Å; S554-S566 WeakPolarHBondContact O-CA 3.36Å; S554-S566 WeakPolarHBondContact O-CB 3.43Å; S554-S566 PolarHBondContact O-N 3.36Å; S566-T568 WeakPolarHBondContact OG-CG2 3.43Å; S566-T568 PolarHBondContact OG-OG1 3.46Å | ||
| 567 | L | 78.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | trans | -103.8 | 27.7 | 177.7 | -66.6 | 166.6 | 0 | 0 | 0 | 111.8 | L479 V484 F501 I539 D569 F570 | L479-L567 HydrophobicContact CD1-CD1 3.23Å; L479-L567 HydrophobicContact CG-CD1 4.45Å; V484-L567 HydrophobicContact CG1-CD1 3.46Å; V484-L567 VanDerWaalsContact CG1-CD1 3.46Å; V484-L567 HydrophobicContact CG1-CG 4.14Å; F501-L567 HydrophobicContact CE1-CB 4.28Å; I539-L567 HydrophobicContact CD1-CD2 4.08Å; L567-D569 PolarHBondContact O-N 3.21Å; L567-D569 VanDerWaalsContact O-N 3.14Å; L567-F570 HydrophobicContact CB-CD1 4.07Å; L567-F570 HydrophobicContact CB-CE1 3.62Å; L567-F570 HydrophobicContact CB-CE2 4.22Å; L567-F570 HydrophobicContact CB-CZ 3.69Å; L567-F570 HydrophobicContact CD1-CE1 3.88Å; L567-F570 HydrophobicContact CD1-CZ 4.09Å; L567-F570 HydrophobicContact CD2-CE1 4.41Å; L567-F570 HydrophobicContact CG-CE1 4.21Å; L567-F570 WeakPolarHBondContact O-CD2 3.26Å; L567-F570 VanDerWaalsContact O-CG 3.27Å; L567-F570 WeakPolarHBondContact O-CG 3.22Å; L567-F570 PolarHBondContact O-N 3.29Å | ||
| 568 | T | 67.4 | Low | 76.3 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | -173.3 | 40 | 0 | 0 | 0 | 0 | 114.8 | L442 F457 F501 S566 | L442-T568 HydrophobicContact CD1-CG2 4.11Å; L442-T568 HydrophobicContact CD2-CG2 3.59Å; L442-T568 HydrophobicContact CG-CG2 3.83Å; F457-T568 WeakPolarHBondContact CE1-O 3.46Å; F457-T568 WeakPolarHBondContact CZ-O 3.19Å; F501-T568 HydrophobicContact CD2-CG2 4.42Å; F501-T568 HydrophobicContact CE2-CG2 4.22Å; S566-T568 WeakPolarHBondContact OG-CG2 3.43Å; S566-T568 PolarHBondContact OG-OG1 3.46Å |
| 569 | D | 66.6 | Low | 76.2 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3.4 | -178.6 | -62.3 | -37.9 | 0 | 0 | 0 | 113.7 | N439 R455 S549 L567 Q571 | N439-D569 VanDerWaalsContact CG-CG 3.42Å; N439-D569 PolarHBondContact ND2-OD2 3.12Å; N439-D569 PolarHBondContact OD1-OD1 3.24Å; N439-D569 PolarHBondContact OD1-OD2 3.04Å; R455-D569 IonicContact CZ-OD1 3.67Å; R455-D569 IonicContact NH1-OD1 3.69Å; R455-D569 IonicContact NH2-OD1 2.72Å; R455-D569 PolarHBondContact NH2-OD1 3.5Å; R455-D569 VanDerWaalsContact NH2-OD1 3.1Å; S549-D569 WeakPolarHBondContact OG-CB 3.43Å; S549-D569 PolarHBondContact OG-OD2 3.17Å; S549-D569 VanDerWaalsContact OG-OD2 3.13Å; L567-D569 PolarHBondContact O-N 3.21Å; L567-D569 VanDerWaalsContact O-N 3.14Å; D569-Q571 VanDerWaalsContact C-N 3.32Å; D569-Q571 WeakPolarHBondContact O-CA 3.05Å; D569-Q571 PolarHBondContact O-N 3.06Å |
| 570 | F | 68.6 | Low | 76.1 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | 0.9 | 80.3 | -178.7 | -84.5 | -55.9 | 0 | 0 | 0 | 112.8 | M472 I475 L479 L487 F501 I544 L567 C572 L573 | M472-F570 HydrophobicContact CE-CD2 3.95Å; M472-F570 HydrophobicContact CE-CE2 3.67Å; M472-F570 HydrophobicContact CE-CZ 4.27Å; I475-F570 HydrophobicContact CG2-CE1 3.82Å; I475-F570 HydrophobicContact CG2-CZ 3.9Å; L479-F570 HydrophobicContact CD1-CE1 4.09Å; L479-F570 HydrophobicContact CD1-CZ 4.3Å; L487-F570 HydrophobicContact CD2-CE2 4.39Å; L487-F570 HydrophobicContact CD2-CZ 4.38Å; F501-F570 AromaticContact CE1-CE2 3.65Å; F501-F570 HydrophobicContact CE1-CE2 3.65Å; F501-F570 HydrophobicContact CE1-CZ 4.12Å; F501-F570 AromaticContact CZ-CD2 3.99Å; F501-F570 HydrophobicContact CZ-CD2 3.99Å; F501-F570 AromaticContact CZ-CE2 3.49Å; F501-F570 HydrophobicContact CZ-CE2 3.49Å; F501-F570 VanDerWaalsContact CZ-CE2 3.49Å; F501-F570 HydrophobicContact CZ-CZ 4.38Å; I544-F570 HydrophobicContact CD1-CE1 4.15Å; L567-F570 HydrophobicContact CB-CD1 4.07Å; L567-F570 HydrophobicContact CB-CE1 3.62Å; L567-F570 HydrophobicContact CB-CE2 4.22Å; L567-F570 HydrophobicContact CB-CZ 3.69Å; L567-F570 HydrophobicContact CD1-CE1 3.88Å; L567-F570 HydrophobicContact CD1-CZ 4.09Å; L567-F570 HydrophobicContact CD2-CE1 4.41Å; L567-F570 HydrophobicContact CG-CE1 4.21Å; L567-F570 WeakPolarHBondContact O-CD2 3.26Å; L567-F570 VanDerWaalsContact O-CG 3.27Å; L567-F570 WeakPolarHBondContact O-CG 3.22Å; L567-F570 PolarHBondContact O-N 3.29Å; F570-C572 PolarHBondContact O-N 2.69Å; F570-L573 HydrophobicContact CB-CB 4.12Å; F570-L573 HydrophobicContact CB-CD1 3.75Å; F570-L573 HydrophobicContact CB-CG 3.79Å; F570-L573 HydrophobicContact CD2-CD1 4.04Å; F570-L573 HydrophobicContact CG-CD1 4.25Å; F570-L573 HydrophobicContact CG-CG 4.46Å; F570-L573 WeakPolarHBondContact O-CA 3.38Å; F570-L573 VanDerWaalsContact O-CB 3.29Å; F570-L573 WeakPolarHBondContact O-CB 3.41Å; F570-L573 PolarHBondContact O-N 3.01Å | ||
| 571 | Q | 70.6 | Confident | 75.8 | Confident | 35 Ų | 35 | 30.4 Ų | 30.4 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -62.4 | -21.7 | -176 | -162 | 64.2 | 20.4 | 0 | 0 | 110.8 | Y546 D569 L573 A574 P580 T581 | Y546-Q571 HydrophobicContact CE2-CB 3.97Å; Y546-Q571 HydrophobicContact CE2-CG 4.15Å; D569-Q571 VanDerWaalsContact C-N 3.32Å; D569-Q571 WeakPolarHBondContact O-CA 3.05Å; D569-Q571 PolarHBondContact O-N 3.06Å; Q571-L573 PolarHBondContact O-N 2.62Å; Q571-A574 WeakPolarHBondContact O-CB 3.35Å; Q571-A574 PolarHBondContact O-N 3.45Å; Q571-P580 PolarHBondContact NE2-O 3.17Å; Q571-T581 VanDerWaalsContact NE2-CA 3.34Å; Q571-T581 PolarHBondContact NE2-O 3.44Å |
| 572 | C | 72.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 33 Ų | 33 | 10% | 0.101 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -62.1 | -19.8 | 169.7 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | I544 F570 A574 | I544-C572 HydrophobicContact CG2-CB 4.1Å; F570-C572 PolarHBondContact O-N 2.69Å; C572-A574 VanDerWaalsContact C-N 3.33Å |
| 573 | L | 76.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -82 | -7.7 | 172.4 | -76.5 | 180 | 0 | 0 | 0 | 113.1 | F457 L468 M472 Y497 F570 Q571 Q575 F576 C577 L579 | F457-L573 HydrophobicContact CD2-CD1 4.49Å; F457-L573 HydrophobicContact CE2-CD1 4.35Å; F457-L573 HydrophobicContact CZ-CD1 4.39Å; L468-L573 HydrophobicContact CD1-CD2 3.44Å; L468-L573 VanDerWaalsContact CD1-CD2 3.44Å; M472-L573 HydrophobicContact CE-CD1 4.16Å; M472-L573 HydrophobicContact CG-CD2 4.02Å; M472-L573 HydrophobicContact SD-CD1 3.98Å; M472-L573 HydrophobicContact SD-CD2 3.46Å; M472-L573 WeakPolarHBondContact SD-CD2 3.41Å; M472-L573 HydrophobicContact SD-CG 3.91Å; Y497-L573 HydrophobicContact CD1-CD1 4.27Å; Y497-L573 HydrophobicContact CE1-CD1 3.93Å; F570-L573 HydrophobicContact CB-CB 4.12Å; F570-L573 HydrophobicContact CB-CD1 3.75Å; F570-L573 HydrophobicContact CB-CG 3.79Å; F570-L573 HydrophobicContact CD2-CD1 4.04Å; F570-L573 HydrophobicContact CG-CD1 4.25Å; F570-L573 HydrophobicContact CG-CG 4.46Å; F570-L573 WeakPolarHBondContact O-CA 3.38Å; F570-L573 VanDerWaalsContact O-CB 3.29Å; F570-L573 WeakPolarHBondContact O-CB 3.41Å; F570-L573 PolarHBondContact O-N 3.01Å; Q571-L573 PolarHBondContact O-N 2.62Å; L573-Q575 PolarHBondContact O-N 3.06Å; L573-F576 HydrophobicContact CD2-CD2 4.32Å; L573-F576 PolarHBondContact O-N 3.03Å; L573-C577 HydrophobicContact CB-CB 4.49Å; L573-C577 PolarHBondContact O-N 3.22Å; L573-L579 HydrophobicContact CB-CD1 3.51Å |
| 574 | A | 74.8 | Confident | 73.8 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -60.6 | -17.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q460 Q571 C572 F576 L579 | Q460-A574 PolarHBondContact NE2-O 2.92Å; Q571-A574 WeakPolarHBondContact O-CB 3.35Å; Q571-A574 PolarHBondContact O-N 3.45Å; C572-A574 VanDerWaalsContact C-N 3.33Å; A574-F576 VanDerWaalsContact C-N 3.35Å; A574-L579 HydrophobicContact CB-CB 4.25Å |
| 575 | Q | 76.2 | Confident | 72.7 | Confident | 147 Ų | 147 | 40.2 Ų | 40.2 | 69% | 0.687 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -75 | -20.9 | 171.8 | -65 | 178.6 | -6.3 | 0 | 0 | 113.7 | L573 | L573-Q575 PolarHBondContact O-N 3.06Š|
| 576 | F | 81.1 | Confident | 71.7 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -23.1 | -174.1 | -57.5 | -77.8 | 0 | 0 | 0 | 113.5 | Q460 T463 E467 L468 R471 L573 A574 | Q460-F576 PolarHBondContact N-O 3.47Å; T463-F576 WeakPolarHBondContact CG2-O 3.42Å; E467-F576 HydrophobicContact CB-CE1 4.06Å; L468-F576 HydrophobicContact CB-CB 4.44Å; L468-F576 HydrophobicContact CB-CD1 4.21Å; L468-F576 HydrophobicContact CB-CG 4.33Å; L468-F576 HydrophobicContact CD1-CB 3.74Å; L468-F576 HydrophobicContact CD1-CD2 4.2Å; L468-F576 HydrophobicContact CD1-CG 3.97Å; L468-F576 HydrophobicContact CG-CB 4.47Å; R471-F576 HydrophobicContact CB-CE2 4.32Å; R471-F576 HydrophobicContact CB-CZ 4.46Å; R471-F576 HydrophobicContact CG-CE2 4.04Å; L573-F576 HydrophobicContact CD2-CD2 4.32Å; L573-F576 PolarHBondContact O-N 3.03Å; A574-F576 VanDerWaalsContact C-N 3.35Å |
| 577 | C | 83 | Confident | 71.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -123.3 | 149.7 | -173.5 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | F457 K458 Q460 L573 L579 | F457-C577 HydrophobicContact CB-CB 4.07Å; K458-C577 CarbonylContact O-C 3.29Å; K458-C577 WeakPolarHBondContact O-CA 3.14Å; K458-C577 WeakPolarHBondContact O-CB 3.33Å; Q460-C577 PolarHBondContact NE2-O 3.33Å; L573-C577 HydrophobicContact CB-CB 4.49Å; L573-C577 PolarHBondContact O-N 3.22Å; C577-L579 HydrophobicContact CB-CD1 3.96Å; C577-L579 HydrophobicContact CB-CG 4.34Å; C577-L579 PolarHBondContact O-N 2.83Å |
| 578 | D | 76.8 | Confident | 71.7 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | trans | -68.2 | 79 | 168.6 | -67.1 | -12.2 | 0 | 0 | 0 | 108.1 | K458 Q460 | K458-D578 HydrophobicContact CB-CB 4.24Å; K458-D578 VanDerWaalsContact CD-OD2 3.29Å; K458-D578 WeakPolarHBondContact CD-OD2 3.43Å; K458-D578 VanDerWaalsContact CE-OD2 3.32Å; K458-D578 WeakPolarHBondContact CE-OD2 3.1Å; K458-D578 HydrophobicContact CG-CB 4.48Å; K458-D578 WeakPolarHBondContact CG-OD2 3.21Å; K458-D578 IonicContact NZ-OD2 3.83Å; K458-D578 PolarHBondContact NZ-OD2 2.97Å; K458-D578 PolarHBondContact O-N 3Å; Q460-D578 WeakPolarHBondContact CG-OD1 3.41Å | ||
| 579 | L | 72.1 | Confident | 72.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | trans | -106.9 | 136.1 | 173.1 | -84.7 | 150.9 | 0 | 0 | 0 | 108.4 | F457 L573 A574 C577 T581 | F457-L579 HydrophobicContact CD1-CD1 4.12Å; F457-L579 HydrophobicContact CD1-CD2 3.9Å; F457-L579 HydrophobicContact CD1-CG 4.14Å; F457-L579 HydrophobicContact CE1-CD1 4.38Å; F457-L579 HydrophobicContact CE1-CD2 3.94Å; L573-L579 HydrophobicContact CB-CD1 3.51Å; A574-L579 HydrophobicContact CB-CB 4.25Å; C577-L579 HydrophobicContact CB-CD1 3.96Å; C577-L579 HydrophobicContact CB-CG 4.34Å; C577-L579 PolarHBondContact O-N 2.83Å; L579-T581 PolarHBondContact O-N 2.83Å; L579-T581 VanDerWaalsContact O-N 3.13Å | ||
| 580 | P | 64.7 | Low | 73.5 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | trans | -58 | 121.5 | 169.7 | 19.9 | -25.8 | 0 | 0 | 0 | 109.1 | Q571 M582 | Q571-P580 PolarHBondContact NE2-O 3.17Å; P580-M582 PolarHBondContact O-N 2.86Å | ||
| 581 | T | 60 | Low | 74.5 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -69.5 | -17.8 | 177.5 | 47 | 0 | 0 | 0 | 0 | 112.5 | Q571 L579 S603 | Q571-T581 VanDerWaalsContact NE2-CA 3.34Å; Q571-T581 PolarHBondContact NE2-O 3.44Å; L579-T581 PolarHBondContact O-N 2.83Å; L579-T581 VanDerWaalsContact O-N 3.13Å; T581-S603 PolarHBondContact O-OG 3.29Å |
| 582 | M | 61.5 | Low | 75.5 | Confident | 65 Ų | 65 | 47 Ų | 47 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -143.6 | 147 | -176.9 | -66.1 | -67.6 | -70.8 | 0 | 0 | 109.1 | P580 D584 I598 | P580-M582 PolarHBondContact O-N 2.86Å; M582-D584 PolarHBondContact O-N 3.18Å; M582-I598 HydrophobicContact CE-CG2 3.68Å; M582-I598 WeakPolarHBondContact CE-O 3.16Å; M582-I598 HydrophobicContact SD-CG2 3.81Å |
| 583 | V | 64.7 | Low | 76.5 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | trans | -61.9 | 129.5 | 171.1 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | E585 A590 Q591 I594 | V583-E585 PolarHBondContact O-N 2.87Å; V583-A590 HydrophobicContact CG1-CB 3.57Å; V583-Q591 HydrophobicContact CB-CG 4.27Å; V583-Q591 HydrophobicContact CG1-CG 3.94Å; V583-Q591 PolarHBondContact O-NE2 3.21Å; V583-I594 HydrophobicContact CB-CD1 3.82Å; V583-I594 HydrophobicContact CG2-CD1 3.67Å | ||
| 584 | D | 67.3 | Low | 77.2 | Confident | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | trans | -46.3 | 130.2 | 176.6 | -81.9 | -24.5 | 0 | 0 | 0 | 111 | M582 S586 D587 | M582-D584 PolarHBondContact O-N 3.18Å; D584-S586 PolarHBondContact O-N 2.95Å; D584-D587 PolarHBondContact O-N 3.1Å | ||
| 585 | E | 66.2 | Low | 78.1 | Confident | 145 Ų | 145 | 47 Ų | 47 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16.1 | 174.2 | -64.6 | -162.1 | 137.1 | 0 | 0 | 113 | V583 K658 | V583-E585 PolarHBondContact O-N 2.87Å; E585-K658 IonicContact OE1-NZ 3.43Å |
| 586 | S | 70.6 | Confident | 78.8 | Confident | 77 Ų | 77 | 40 Ų | 40 | 54% | 0.538 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.9 | 173.9 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | D584 A588 | D584-S586 PolarHBondContact O-N 2.95Å; S586-A588 PolarHBondContact O-N 3.45Å |
| 587 | D | 79.7 | Confident | 79.1 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | trans | -101.2 | 71.1 | -178.8 | -163.9 | 2.6 | 0 | 0 | 0 | 112.4 | D584 I589 A590 Q591 | D584-D587 PolarHBondContact O-N 3.1Å; D587-I589 PolarHBondContact O-N 3.3Å; D587-I589 PolarHBondContact OD1-N 2.88Å; D587-A590 HydrophobicContact CB-CB 4.39Å; D587-A590 PolarHBondContact O-N 3.41Å; D587-A590 VanDerWaalsContact O-N 3.16Å; D587-Q591 PolarHBondContact O-N 3.47Å | ||
| 588 | A | 84.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S586 Q591 A650 R651 | S586-A588 PolarHBondContact O-N 3.45Å; A588-Q591 PolarHBondContact O-N 3.32Å; A588-A650 HydrophobicContact CB-CB 3.91Å; A588-A650 WeakPolarHBondContact O-CB 3.34Å; A588-R651 HydrophobicContact CB-CB 4.22Å; A588-R651 HydrophobicContact CB-CG 3.3Å |
| 589 | I | 87.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -47.6 | 178.7 | -62.5 | 172.4 | 0 | 0 | 0 | 109.5 | D587 Q591 L592 W593 R645 R647 A650 | D587-I589 PolarHBondContact O-N 3.3Å; D587-I589 PolarHBondContact OD1-N 2.88Å; I589-Q591 PolarHBondContact O-N 3.3Å; I589-L592 WeakPolarHBondContact O-CB 3.1Å; I589-L592 WeakPolarHBondContact O-CG 3.43Å; I589-L592 PolarHBondContact O-N 2.83Å; I589-L592 VanDerWaalsContact O-N 3.1Å; I589-W593 HydrophobicContact CG2-CZ3 4.29Å; I589-W593 WeakPolarHBondContact O-CZ3 3.4Å; I589-R645 WeakPolarHBondContact CD1-O 3.17Å; I589-R647 HydrophobicContact CD1-CG 4.02Å; I589-R647 HydrophobicContact CG1-CG 4.3Å; I589-A650 HydrophobicContact CB-CB 4.49Å; I589-A650 HydrophobicContact CG1-CB 3.87Å |
| 590 | A | 85.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.4 | -25.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V583 D587 L592 | V583-A590 HydrophobicContact CG1-CB 3.57Å; D587-A590 HydrophobicContact CB-CB 4.39Å; D587-A590 PolarHBondContact O-N 3.41Å; D587-A590 VanDerWaalsContact O-N 3.16Å; A590-L592 VanDerWaalsContact C-N 3.27Å; A590-L592 PolarHBondContact O-N 3.08Å |
| 591 | Q | 89.5 | Confident | 81.1 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -71.7 | -13.6 | 176.3 | -65.3 | -172.9 | -26.8 | 0 | 0 | 114.8 | V583 D587 A588 I589 W593 I594 L599 V654 | V583-Q591 HydrophobicContact CB-CG 4.27Å; V583-Q591 HydrophobicContact CG1-CG 3.94Å; V583-Q591 PolarHBondContact O-NE2 3.21Å; D587-Q591 PolarHBondContact O-N 3.47Å; A588-Q591 PolarHBondContact O-N 3.32Å; I589-Q591 PolarHBondContact O-N 3.3Å; Q591-W593 PolarHBondContact O-N 3.34Å; Q591-I594 HydrophobicContact CB-CD1 4.17Å; Q591-I594 HydrophobicContact CG-CD1 4.01Å; Q591-I594 WeakPolarHBondContact O-CB 3.21Å; Q591-I594 PolarHBondContact O-N 3.41Å; Q591-I594 VanDerWaalsContact O-N 3.1Å; Q591-L599 HydrophobicContact CB-CD2 4.21Å; Q591-V654 HydrophobicContact CB-CG2 3.74Å |
| 592 | L | 92.7 | Very high | 81.8 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -68 | -20.1 | -176.9 | -66.9 | 174.6 | 0 | 0 | 0 | 114.4 | I589 A590 P629 F630 A650 I653 V654 | I589-L592 WeakPolarHBondContact O-CB 3.1Å; I589-L592 WeakPolarHBondContact O-CG 3.43Å; I589-L592 PolarHBondContact O-N 2.83Å; I589-L592 VanDerWaalsContact O-N 3.1Å; A590-L592 VanDerWaalsContact C-N 3.27Å; A590-L592 PolarHBondContact O-N 3.08Å; L592-P629 HydrophobicContact CB-CB 4.42Å; L592-P629 HydrophobicContact CD1-CB 4.33Å; L592-P629 HydrophobicContact CD1-CG 3.74Å; L592-F630 HydrophobicContact CB-CB 4.44Å; L592-F630 HydrophobicContact CD2-CB 4.22Å; L592-A650 HydrophobicContact CD1-CB 3.92Å; L592-A650 HydrophobicContact CD2-CB 4.3Å; L592-A650 HydrophobicContact CG-CB 4.19Å; L592-I653 HydrophobicContact CD2-CB 3.86Å; L592-I653 HydrophobicContact CD2-CD1 4.35Å; L592-I653 HydrophobicContact CD2-CG2 3.56Å; L592-V654 HydrophobicContact CD2-CG2 4.09Å |
| 593 | W | 93.2 | Very high | 82.1 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -92.7 | -8.8 | 175.2 | -65.3 | -94.3 | 0 | 0 | 0 | 112.9 | T552 I589 Q591 S615 I618 E622 P629 | T552-W593 WeakPolarHBondContact OG1-CZ2 3.33Å; I589-W593 HydrophobicContact CG2-CZ3 4.29Å; I589-W593 WeakPolarHBondContact O-CZ3 3.4Å; Q591-W593 PolarHBondContact O-N 3.34Å; W593-S615 WeakPolarHBondContact O-CA 3.43Å; W593-S615 WeakPolarHBondContact O-CB 3.29Å; W593-S615 PolarHBondContact O-OG 3.38Å; W593-I618 HydrophobicContact CG-CB 4.48Å; W593-I618 HydrophobicContact CG-CG2 4.12Å; W593-E622 WeakPolarHBondContact CZ2-OE2 3.24Å; W593-P629 HydrophobicContact CD2-CB 4.49Å; W593-P629 HydrophobicContact CH2-CB 3.78Å; W593-P629 HydrophobicContact CH2-CG 3.73Å; W593-P629 HydrophobicContact CZ2-CB 3.39Å; W593-P629 HydrophobicContact CZ2-CG 3.84Å; W593-P629 HydrophobicContact CZ3-CB 4.45Å; W593-P629 HydrophobicContact CZ3-CG 4.42Å |
| 594 | I | 90.8 | Very high | 82 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -78.7 | 135.5 | -175.3 | -56.2 | 179.1 | 0 | 0 | 0 | 109.7 | V583 Q591 I598 L599 Y614 | V583-I594 HydrophobicContact CB-CD1 3.82Å; V583-I594 HydrophobicContact CG2-CD1 3.67Å; Q591-I594 HydrophobicContact CB-CD1 4.17Å; Q591-I594 HydrophobicContact CG-CD1 4.01Å; Q591-I594 WeakPolarHBondContact O-CB 3.21Å; Q591-I594 PolarHBondContact O-N 3.41Å; Q591-I594 VanDerWaalsContact O-N 3.1Å; I594-I598 HydrophobicContact CG2-CB 3.72Å; I594-I598 HydrophobicContact CG2-CG2 3.53Å; I594-L599 HydrophobicContact CB-CD2 3.86Å; I594-L599 HydrophobicContact CB-CG 3.98Å; I594-L599 HydrophobicContact CD1-CD2 4.21Å; I594-L599 HydrophobicContact CG2-CD2 3.83Å; I594-L599 HydrophobicContact CG2-CG 3.77Å; I594-Y614 WeakPolarHBondContact O-CE1 3.33Å |
| 595 | A | 92 | Very high | 81.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -64.3 | 147 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E597 I598 L599 A611 Y614 | A595-E597 VanDerWaalsContact C-N 3.27Å; A595-E597 VanDerWaalsContact CB-CD 3.46Å; A595-E597 WeakPolarHBondContact CB-OE1 3.22Å; A595-E597 WeakPolarHBondContact CB-OE2 3.35Å; A595-E597 PolarHBondContact O-N 3.45Å; A595-I598 PolarHBondContact O-N 3.01Å; A595-I598 VanDerWaalsContact O-N 3.13Å; A595-L599 PolarHBondContact O-N 3.09Å; A595-A611 HydrophobicContact CB-CB 3.83Å; A595-Y614 HydrophobicContact CB-CD1 3.99Å; A595-Y614 HydrophobicContact CB-CG 3.93Å | ||
| 596 | P | 90.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -32.8 | -174.4 | 22.2 | -32.9 | 0 | 0 | 0 | 113.7 | L599 R600 Y614 V657 | P596-L599 PolarHBondContact O-N 3.34Å; P596-R600 VanDerWaalsContact O-CG 3.27Å; P596-R600 WeakPolarHBondContact O-CG 3.46Å; P596-R600 PolarHBondContact O-N 3.05Å; P596-Y614 HydrophobicContact CG-CE2 4.47Å; P596-V657 HydrophobicContact CB-CG1 3.85Å |
| 597 | E | 87.9 | Confident | 81.3 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -37.3 | 177.5 | 65 | -82 | -168.7 | 0 | 0 | 112.9 | A595 R600 C601 Q606 P692 R695 | A595-E597 VanDerWaalsContact C-N 3.27Å; A595-E597 VanDerWaalsContact CB-CD 3.46Å; A595-E597 WeakPolarHBondContact CB-OE1 3.22Å; A595-E597 WeakPolarHBondContact CB-OE2 3.35Å; A595-E597 PolarHBondContact O-N 3.45Å; E597-R600 PolarHBondContact O-N 3.45Å; E597-C601 PolarHBondContact O-N 3.23Å; E597-C601 VanDerWaalsContact O-N 3.09Å; E597-Q606 VanDerWaalsContact CB-OE1 3.24Å; E597-Q606 PolarHBondContact O-NE2 3Å; E597-Q606 VanDerWaalsContact O-NE2 3.12Å; E597-Q606 PolarHBondContact O-OE1 3.17Å; E597-P692 HydrophobicContact CG-CG 4Å; E597-R695 VanDerWaalsContact CD-NH2 3.3Å; E597-R695 IonicContact OE1-CZ 2.69Å; E597-R695 IonicContact OE1-NH1 3.51Å; E597-R695 PolarHBondContact OE1-NH1 3.49Å; E597-R695 IonicContact OE1-NH2 3.77Å; E597-R695 PolarHBondContact OE1-NH2 3.12Å; E597-R695 IonicContact OE2-CZ 3.58Å; E597-R695 IonicContact OE2-NH1 3.72Å; E597-R695 IonicContact OE2-NH2 3.42Å; E597-R695 PolarHBondContact OE2-NH2 2.75Å |
| 598 | I | 88.1 | Confident | 81.5 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.2 | -42.6 | 176.2 | -65.1 | -177.3 | 0 | 0 | 0 | 109.7 | M582 I594 A595 R600 G602 M608 A611 | M582-I598 HydrophobicContact CE-CG2 3.68Å; M582-I598 WeakPolarHBondContact CE-O 3.16Å; M582-I598 HydrophobicContact SD-CG2 3.81Å; I594-I598 HydrophobicContact CG2-CB 3.72Å; I594-I598 HydrophobicContact CG2-CG2 3.53Å; A595-I598 PolarHBondContact O-N 3.01Å; A595-I598 VanDerWaalsContact O-N 3.13Å; I598-R600 PolarHBondContact O-N 3.47Å; I598-G602 WeakPolarHBondContact O-CA 3.48Å; I598-G602 PolarHBondContact O-N 3.07Å; I598-M608 HydrophobicContact CD1-CE 3.8Å; I598-M608 HydrophobicContact CD1-SD 3.53Å; I598-M608 VanDerWaalsContact CD1-SD 3.53Å; I598-M608 HydrophobicContact CG1-CE 4.12Å; I598-M608 HydrophobicContact CG1-SD 4.46Å; I598-A611 HydrophobicContact CD1-CB 3.26Å; I598-A611 HydrophobicContact CG1-CB 4.18Å |
| 599 | L | 87.4 | Confident | 81.7 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -26.6 | 177.1 | -72.3 | 175.4 | 0 | 0 | 0 | 113.7 | Q591 I594 A595 P596 V654 V657 K658 | Q591-L599 HydrophobicContact CB-CD2 4.21Å; I594-L599 HydrophobicContact CB-CD2 3.86Å; I594-L599 HydrophobicContact CB-CG 3.98Å; I594-L599 HydrophobicContact CD1-CD2 4.21Å; I594-L599 HydrophobicContact CG2-CD2 3.83Å; I594-L599 HydrophobicContact CG2-CG 3.77Å; A595-L599 PolarHBondContact O-N 3.09Å; P596-L599 PolarHBondContact O-N 3.34Å; L599-V654 HydrophobicContact CD1-CG1 4.36Å; L599-V654 HydrophobicContact CD2-CG1 4.31Å; L599-V657 HydrophobicContact CD1-CG1 3.99Å; L599-K658 HydrophobicContact CB-CG 4.01Å; L599-K658 VanDerWaalsContact O-CE 3.27Å; L599-K658 WeakPolarHBondContact O-CE 3.34Å |
| 600 | R | 86.5 | Confident | 82 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -94 | -44.9 | -177.6 | -70.1 | 176.5 | -160.8 | 144.5 | -1.3 | 113.8 | P596 E597 I598 V657 K658 R660 E690 | P596-R600 VanDerWaalsContact O-CG 3.27Å; P596-R600 WeakPolarHBondContact O-CG 3.46Å; P596-R600 PolarHBondContact O-N 3.05Å; E597-R600 PolarHBondContact O-N 3.45Å; I598-R600 PolarHBondContact O-N 3.47Å; R600-V657 PolarHBondContact NH2-O 2.69Å; R600-K658 WeakPolarHBondContact CD-O 3.44Å; R600-K658 PolarHBondContact NE-O 3.12Å; R600-R660 VanDerWaalsContact CZ-CG 3.48Å; R600-E690 IonicContact CZ-OE1 3.55Å; R600-E690 IonicContact NH1-OE1 3.46Å; R600-E690 PolarHBondContact NH1-OE1 2.95Å; R600-E690 IonicContact NH2-OE1 2.7Å; R600-E690 PolarHBondContact NH2-OE1 2.92Å; R600-E690 IonicContact NH2-OE2 3.3Å |
| 601 | C | 77.5 | Confident | 82.3 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 66% | 0.655 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -116.1 | 1.5 | -168.1 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | E597 | E597-C601 PolarHBondContact O-N 3.23Å; E597-C601 VanDerWaalsContact O-N 3.09Å |
| 602 | G | 74.2 | Confident | 82.4 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | trans | 76.2 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I598 | I598-G602 WeakPolarHBondContact O-CA 3.48Å; I598-G602 PolarHBondContact O-N 3.07Å | ||
| 603 | S | 68.7 | Low | 82.6 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -92.9 | -12.5 | -169.6 | 50.5 | 0 | 0 | 0 | 0 | 115.8 | T581 N605 M608 | T581-S603 PolarHBondContact O-OG 3.29Å; S603-N605 VanDerWaalsContact C-N 3.31Å; S603-N605 PolarHBondContact O-N 3.41Å; S603-N605 VanDerWaalsContact O-N 3.08Å; S603-M608 WeakPolarHBondContact O-CE 3.34Å |
| 604 | E | 60.9 | Low | 82.7 | Confident | 174 Ų | 174 | 39.7 Ų | 39.7 | 81% | 0.813 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19 | -159.9 | -67.9 | -177.2 | 166.5 | 0 | 0 | 116.2 | ||
| 605 | N | 53.6 | Low | 82.9 | Confident | 161 Ų | 161 | 38.9 Ų | 38.9 | 86% | 0.861 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | 29.4 | -174.6 | -78.9 | -46.9 | 0 | 0 | 0 | 115.2 | S603 | S603-N605 VanDerWaalsContact C-N 3.31Å; S603-N605 PolarHBondContact O-N 3.41Å; S603-N605 VanDerWaalsContact O-N 3.08Å |
| 606 | Q | 64.1 | Low | 83.1 | Confident | 58 Ų | 58 | 39 Ų | 39 | 27% | 0.271 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -117.3 | 155.4 | -175.4 | -66.2 | -172.9 | -2.5 | 0 | 0 | 113.9 | E597 M608 | E597-Q606 VanDerWaalsContact CB-OE1 3.24Å; E597-Q606 PolarHBondContact O-NE2 3Å; E597-Q606 VanDerWaalsContact O-NE2 3.12Å; E597-Q606 PolarHBondContact O-OE1 3.17Å; Q606-M608 VanDerWaalsContact C-N 3.29Å; Q606-M608 HydrophobicContact CB-CE 4.41Å; Q606-M608 PolarHBondContact O-N 3.49Å |
| 607 | A | 72.4 | Confident | 83.3 | Confident | 47 Ų | 47 | 39 Ų | 39 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | trans | -64.5 | 83.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D609 K610 A611 | A607-D609 VanDerWaalsContact C-OD1 3.25Å; A607-D609 WeakPolarHBondContact CA-OD1 3.44Å; A607-D609 WeakPolarHBondContact CB-OD1 3.38Å; A607-D609 PolarHBondContact O-N 2.96Å; A607-K610 HydrophobicContact CB-CB 4.13Å; A607-K610 HydrophobicContact CB-CG 4.04Å; A607-K610 WeakPolarHBondContact O-CB 3.44Å; A607-K610 PolarHBondContact O-N 2.86Å; A607-A611 PolarHBondContact O-N 3.46Å; A607-A611 VanDerWaalsContact O-N 3.16Å | ||
| 608 | M | 84.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -30.8 | -178 | -71.8 | -66.2 | 150.5 | 0 | 0 | 113.1 | Y546 I598 S603 Q606 K610 A611 D612 | Y546-M608 HydrophobicContact CD1-CB 3.71Å; Y546-M608 HydrophobicContact CD1-CG 4.39Å; Y546-M608 HydrophobicContact CD2-CB 3.4Å; Y546-M608 HydrophobicContact CD2-CG 3.96Å; Y546-M608 HydrophobicContact CE1-CB 4.13Å; Y546-M608 HydrophobicContact CE1-CG 4.31Å; Y546-M608 HydrophobicContact CE2-CB 3.83Å; Y546-M608 HydrophobicContact CE2-CG 3.85Å; Y546-M608 HydrophobicContact CG-CB 3.33Å; Y546-M608 HydrophobicContact CG-CG 4.23Å; I598-M608 HydrophobicContact CD1-CE 3.8Å; I598-M608 HydrophobicContact CD1-SD 3.53Å; I598-M608 VanDerWaalsContact CD1-SD 3.53Å; I598-M608 HydrophobicContact CG1-CE 4.12Å; I598-M608 HydrophobicContact CG1-SD 4.46Å; S603-M608 WeakPolarHBondContact O-CE 3.34Å; Q606-M608 VanDerWaalsContact C-N 3.29Å; Q606-M608 HydrophobicContact CB-CE 4.41Å; Q606-M608 PolarHBondContact O-N 3.49Å; M608-K610 VanDerWaalsContact C-N 3.3Å; M608-K610 PolarHBondContact O-N 2.87Å; M608-A611 WeakPolarHBondContact O-CB 3.35Å; M608-A611 PolarHBondContact O-N 3.47Å; M608-A611 VanDerWaalsContact O-N 3.17Å; M608-D612 PolarHBondContact O-N 3.28Å |
| 609 | D | 88.6 | Confident | 84 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 31% | 0.31 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 171.4 | 65.9 | -45.5 | 0 | 0 | 0 | 111 | H540 A607 A611 D612 V613 | H540-D609 PolarHBondContact CE1-O 3.42Å; A607-D609 VanDerWaalsContact C-OD1 3.25Å; A607-D609 WeakPolarHBondContact CA-OD1 3.44Å; A607-D609 WeakPolarHBondContact CB-OD1 3.38Å; A607-D609 PolarHBondContact O-N 2.96Å; D609-A611 VanDerWaalsContact C-N 3.32Å; D609-A611 PolarHBondContact O-N 2.9Å; D609-D612 WeakPolarHBondContact O-CB 3.29Å; D609-D612 PolarHBondContact O-N 3.4Å; D609-V613 PolarHBondContact O-N 3.04Å |
| 610 | K | 93.2 | Very high | 84.3 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.5 | -23.9 | 176.5 | -62.1 | -58.6 | -173.6 | 170.7 | 0 | 113.3 | A607 M608 Y614 P692 R695 | A607-K610 HydrophobicContact CB-CB 4.13Å; A607-K610 HydrophobicContact CB-CG 4.04Å; A607-K610 WeakPolarHBondContact O-CB 3.44Å; A607-K610 PolarHBondContact O-N 2.86Å; M608-K610 VanDerWaalsContact C-N 3.3Å; M608-K610 PolarHBondContact O-N 2.87Å; K610-Y614 PolarHBondContact O-N 3Å; K610-P692 HydrophobicContact CB-CB 3.73Å; K610-P692 WeakPolarHBondContact CD-O 3.12Å; K610-P692 HydrophobicContact CG-CB 4.3Å; K610-P692 WeakPolarHBondContact CG-O 3.34Å; K610-R695 HydrophobicContact CD-CB 4.42Å; K610-R695 PolarHBondContact NZ-O 2.94Å; K610-R695 PolarHBondContact O-NH1 2.68Å |
| 611 | A | 91.1 | Very high | 84.6 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A595 I598 A607 M608 D609 V613 Y614 S615 | A595-A611 HydrophobicContact CB-CB 3.83Å; I598-A611 HydrophobicContact CD1-CB 3.26Å; I598-A611 HydrophobicContact CG1-CB 4.18Å; A607-A611 PolarHBondContact O-N 3.46Å; A607-A611 VanDerWaalsContact O-N 3.16Å; M608-A611 WeakPolarHBondContact O-CB 3.35Å; M608-A611 PolarHBondContact O-N 3.47Å; M608-A611 VanDerWaalsContact O-N 3.17Å; D609-A611 VanDerWaalsContact C-N 3.32Å; D609-A611 PolarHBondContact O-N 2.9Å; A611-V613 PolarHBondContact O-N 3.29Å; A611-Y614 WeakPolarHBondContact O-CA 3.15Å; A611-Y614 VanDerWaalsContact O-CB 3.32Å; A611-Y614 WeakPolarHBondContact O-CB 3.4Å; A611-Y614 PolarHBondContact O-N 3.31Å; A611-S615 PolarHBondContact O-N 3.39Å; A611-S615 PolarHBondContact O-OG 3.19Å |
| 612 | D | 92.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | 173.7 | -68.5 | -33.1 | 0 | 0 | 0 | 112.1 | M536 H540 Y546 H547 G548 M608 D609 Y614 S615 F616 F698 | M536-D612 HydrophobicContact CE-CB 3.68Å; M536-D612 WeakPolarHBondContact CE-OD2 3.28Å; H540-D612 IonicContact CD2-OD2 3.63Å; H540-D612 IonicContact CE1-OD2 2.67Å; H540-D612 IonicContact NE2-OD2 3.57Å; H540-D612 PolarHBondContact NE2-OD2 3.44Å; Y546-D612 WeakPolarHBondContact CA-OD2 3.41Å; Y546-D612 WeakPolarHBondContact CB-OD2 3.38Å; H547-D612 PolarHBondContact N-OD2 3.32Å; G548-D612 PolarHBondContact N-OD1 2.94Å; M608-D612 PolarHBondContact O-N 3.28Å; D609-D612 WeakPolarHBondContact O-CB 3.29Å; D609-D612 PolarHBondContact O-N 3.4Å; D612-Y614 VanDerWaalsContact C-N 3.29Å; D612-Y614 PolarHBondContact O-N 3.5Å; D612-S615 PolarHBondContact O-N 3.46Å; D612-F616 WeakPolarHBondContact O-CB 3.37Å; D612-F616 PolarHBondContact O-N 2.95Å; D612-F698 HydrophobicContact CB-CE2 4.1Å; D612-F698 HydrophobicContact CB-CZ 4.49Å |
| 613 | V | 95.6 | Very high | 86 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.1 | 176 | 0 | 0 | 0 | 0 | 111 | D609 A611 S617 C687 R695 P696 F698 I701 | D609-V613 PolarHBondContact O-N 3.04Å; A611-V613 PolarHBondContact O-N 3.29Å; V613-S617 PolarHBondContact O-N 2.96Å; V613-C687 HydrophobicContact CG1-CB 3.85Å; V613-R695 HydrophobicContact CG1-CB 4.11Å; V613-P696 HydrophobicContact CG1-CG 4.39Å; V613-F698 HydrophobicContact CB-CE2 4.34Å; V613-F698 HydrophobicContact CG2-CD2 3.8Å; V613-F698 HydrophobicContact CG2-CE2 3.53Å; V613-F698 HydrophobicContact CG2-CZ 4.26Å; V613-I701 HydrophobicContact CG1-CD1 3.98Å |
| 614 | Y | 95.7 | Very high | 87 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 173.6 | -176.2 | -87.3 | 0 | 0 | 0 | 110.7 | I594 A595 P596 K610 A611 D612 F616 S617 I618 F630 W688 | I594-Y614 WeakPolarHBondContact O-CE1 3.33Å; A595-Y614 HydrophobicContact CB-CD1 3.99Å; A595-Y614 HydrophobicContact CB-CG 3.93Å; P596-Y614 HydrophobicContact CG-CE2 4.47Å; K610-Y614 PolarHBondContact O-N 3Å; A611-Y614 WeakPolarHBondContact O-CA 3.15Å; A611-Y614 VanDerWaalsContact O-CB 3.32Å; A611-Y614 WeakPolarHBondContact O-CB 3.4Å; A611-Y614 PolarHBondContact O-N 3.31Å; D612-Y614 VanDerWaalsContact C-N 3.29Å; D612-Y614 PolarHBondContact O-N 3.5Å; Y614-F616 VanDerWaalsContact C-N 3.3Å; Y614-F616 PolarHBondContact O-N 2.94Å; Y614-S617 PolarHBondContact O-N 3.42Å; Y614-S617 PolarHBondContact O-OG 3.11Å; Y614-I618 HydrophobicContact CD1-CG1 4.14Å; Y614-I618 HydrophobicContact CE1-CD1 4Å; Y614-I618 HydrophobicContact CE1-CG1 3.81Å; Y614-I618 PolarHBondContact O-N 3.47Å; Y614-I618 VanDerWaalsContact O-N 3.16Å; Y614-F630 WeakPolarHBondContact OH-CE2 3.18Å; Y614-W688 HydrophobicContact CE2-CB 4.37Å; Y614-W688 AromaticContact CE2-CD1 3.91Å; Y614-W688 HydrophobicContact CE2-CG 4.41Å |
| 615 | S | 94.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | L550 W593 A611 D612 S617 I618 I619 | L550-S615 WeakPolarHBondContact O-CB 3.41Å; W593-S615 WeakPolarHBondContact O-CA 3.43Å; W593-S615 WeakPolarHBondContact O-CB 3.29Å; W593-S615 PolarHBondContact O-OG 3.38Å; A611-S615 PolarHBondContact O-N 3.39Å; A611-S615 PolarHBondContact O-OG 3.19Å; D612-S615 PolarHBondContact O-N 3.46Å; S615-S617 VanDerWaalsContact C-N 3.31Å; S615-S617 PolarHBondContact O-N 3.16Å; S615-I618 PolarHBondContact O-N 3.4Å; S615-I619 PolarHBondContact O-N 2.91Å; S615-I619 VanDerWaalsContact O-N 3.15Å |
| 616 | F | 96 | Very high | 89.8 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 174.1 | 172.5 | -96.3 | 0 | 0 | 0 | 112 | L529 L532 A533 L550 D612 Y614 I618 I619 M620 F698 I701 F705 | L529-F616 HydrophobicContact CD2-CE2 4.17Å; L529-F616 HydrophobicContact CD2-CZ 4.07Å; L532-F616 HydrophobicContact CB-CD2 4.32Å; L532-F616 HydrophobicContact CB-CE2 3.8Å; A533-F616 HydrophobicContact CB-CE2 4.29Å; A533-F616 HydrophobicContact CB-CZ 4.11Å; L550-F616 HydrophobicContact CD2-CB 3.84Å; D612-F616 WeakPolarHBondContact O-CB 3.37Å; D612-F616 PolarHBondContact O-N 2.95Å; Y614-F616 VanDerWaalsContact C-N 3.3Å; Y614-F616 PolarHBondContact O-N 2.94Å; F616-I618 VanDerWaalsContact C-N 3.32Å; F616-I618 PolarHBondContact O-N 2.73Å; F616-I619 WeakPolarHBondContact O-CB 3.34Å; F616-I619 PolarHBondContact O-N 2.99Å; F616-I619 VanDerWaalsContact O-N 3.16Å; F616-M620 HydrophobicContact CE1-SD 4.34Å; F616-M620 PolarHBondContact O-N 3.09Å; F616-F698 HydrophobicContact CB-CE1 3.84Å; F616-F698 HydrophobicContact CB-CZ 3.69Å; F616-F698 HydrophobicContact CD1-CE1 4.08Å; F616-F698 AromaticContact CD2-CE1 3.82Å; F616-F698 HydrophobicContact CD2-CE1 3.82Å; F616-F698 HydrophobicContact CD2-CZ 4.46Å; F616-F698 HydrophobicContact CE2-CE1 4.41Å; F616-F698 AromaticContact CG-CE1 3.63Å; F616-F698 HydrophobicContact CG-CE1 3.63Å; F616-F698 HydrophobicContact CG-CZ 4.03Å; F616-I701 HydrophobicContact CD1-CG2 4.44Å; F616-I701 HydrophobicContact CE1-CG2 3.63Å; F616-I701 HydrophobicContact CZ-CG2 4.01Å; F616-F705 HydrophobicContact CE1-CE2 4.05Å; F616-F705 AromaticContact CZ-CE2 3.77Å; F616-F705 HydrophobicContact CZ-CE2 3.77Å; F616-F705 HydrophobicContact CZ-CZ 4.29Å |
| 617 | S | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.2 | -28.3 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | V613 Y614 S615 M620 Q621 W688 | V613-S617 PolarHBondContact O-N 2.96Å; Y614-S617 PolarHBondContact O-N 3.42Å; Y614-S617 PolarHBondContact O-OG 3.11Å; S615-S617 VanDerWaalsContact C-N 3.31Å; S615-S617 PolarHBondContact O-N 3.16Å; S617-M620 WeakPolarHBondContact O-CB 3.29Å; S617-M620 PolarHBondContact O-N 3.04Å; S617-Q621 WeakPolarHBondContact O-CB 3.48Å; S617-Q621 PolarHBondContact O-N 3.02Å; S617-W688 PolarHBondContact OG-NE1 3.02Å |
| 618 | I | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 170.4 | -58.2 | -57.1 | 0 | 0 | 0 | 110.4 | W593 Y614 S615 F616 M620 Q621 E622 P629 F630 P668 | W593-I618 HydrophobicContact CG-CB 4.48Å; W593-I618 HydrophobicContact CG-CG2 4.12Å; Y614-I618 HydrophobicContact CD1-CG1 4.14Å; Y614-I618 HydrophobicContact CE1-CD1 4Å; Y614-I618 HydrophobicContact CE1-CG1 3.81Å; Y614-I618 PolarHBondContact O-N 3.47Å; Y614-I618 VanDerWaalsContact O-N 3.16Å; S615-I618 PolarHBondContact O-N 3.4Å; F616-I618 VanDerWaalsContact C-N 3.32Å; F616-I618 PolarHBondContact O-N 2.73Å; I618-M620 VanDerWaalsContact C-N 3.33Å; I618-Q621 PolarHBondContact O-N 3.09Å; I618-E622 WeakPolarHBondContact O-CB 3.17Å; I618-E622 PolarHBondContact O-N 2.81Å; I618-P629 HydrophobicContact CG2-CB 4.42Å; I618-F630 HydrophobicContact CD1-CD2 3.9Å; I618-F630 HydrophobicContact CD1-CE2 4.25Å; I618-P668 HydrophobicContact CD1-CG 3.56Å |
| 619 | I | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.3 | -63.2 | 169.7 | 0 | 0 | 0 | 110.7 | L509 L532 L550 T552 S615 F616 Q621 E622 I623 | L509-I619 HydrophobicContact CD2-CG2 4.31Å; L532-I619 HydrophobicContact CD1-CG2 3.94Å; L550-I619 HydrophobicContact CD1-CD1 4.28Å; L550-I619 HydrophobicContact CD2-CD1 4.32Å; L550-I619 HydrophobicContact CG-CD1 3.81Å; T552-I619 HydrophobicContact CG2-CB 4.31Å; T552-I619 HydrophobicContact CG2-CG1 3.99Å; T552-I619 HydrophobicContact CG2-CG2 3.88Å; S615-I619 PolarHBondContact O-N 2.91Å; S615-I619 VanDerWaalsContact O-N 3.15Å; F616-I619 WeakPolarHBondContact O-CB 3.34Å; F616-I619 PolarHBondContact O-N 2.99Å; F616-I619 VanDerWaalsContact O-N 3.16Å; I619-Q621 VanDerWaalsContact C-N 3.33Å; I619-Q621 PolarHBondContact O-N 3.5Å; I619-E622 PolarHBondContact O-N 3.27Å; I619-I623 HydrophobicContact CG2-CD1 3.82Å; I619-I623 HydrophobicContact CG2-CG1 4.42Å; I619-I623 WeakPolarHBondContact O-CG1 3.27Å; I619-I623 PolarHBondContact O-N 3.04Å |
| 620 | M | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 175.6 | -174.2 | 172 | -177.6 | 0 | 0 | 111.9 | L529 F616 S617 I618 I623 F624 L680 M684 F705 | L529-M620 HydrophobicContact CD1-CB 4.44Å; L529-M620 HydrophobicContact CD1-CG 3.88Å; L529-M620 HydrophobicContact CD2-CB 3.91Å; L529-M620 HydrophobicContact CD2-CG 4.18Å; F616-M620 HydrophobicContact CE1-SD 4.34Å; F616-M620 PolarHBondContact O-N 3.09Å; S617-M620 WeakPolarHBondContact O-CB 3.29Å; S617-M620 PolarHBondContact O-N 3.04Å; I618-M620 VanDerWaalsContact C-N 3.33Å; M620-I623 PolarHBondContact O-N 3.2Å; M620-F624 HydrophobicContact CE-CE1 4.22Å; M620-F624 HydrophobicContact CE-CE2 3.54Å; M620-F624 HydrophobicContact CE-CZ 3.28Å; M620-F624 HydrophobicContact CG-CD1 4.37Å; M620-F624 HydrophobicContact CG-CD2 4.38Å; M620-F624 HydrophobicContact CG-CE1 4.03Å; M620-F624 HydrophobicContact CG-CE2 4.03Å; M620-F624 HydrophobicContact CG-CZ 3.86Å; M620-F624 WeakPolarHBondContact O-CB 3.49Å; M620-F624 WeakPolarHBondContact O-CD1 3.27Å; M620-F624 VanDerWaalsContact O-CG 3.27Å; M620-F624 WeakPolarHBondContact O-CG 3.47Å; M620-F624 PolarHBondContact O-N 3.43Å; M620-F624 HydrophobicContact SD-CZ 4.43Å; M620-L680 HydrophobicContact CE-CB 3.73Å; M620-L680 WeakPolarHBondContact CE-O 2.92Å; M620-M684 HydrophobicContact CB-CG 4.41Å; M620-M684 HydrophobicContact CB-SD 4.28Å; M620-M684 HydrophobicContact CE-CB 4.07Å; M620-M684 HydrophobicContact CG-CB 4.47Å; M620-M684 HydrophobicContact CG-CG 4.2Å; M620-M684 HydrophobicContact CG-SD 3.96Å; M620-M684 HydrophobicContact SD-CB 3.75Å; M620-M684 HydrophobicContact SD-CG 4.01Å; M620-M684 HydrophobicContact SD-SD 4.47Å; M620-F705 HydrophobicContact CE-CE1 4.31Å; M620-F705 HydrophobicContact CE-CE2 4.48Å; M620-F705 HydrophobicContact CE-CZ 3.65Å; M620-F705 HydrophobicContact SD-CZ 4Å |
| 621 | Q | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.3 | -161.5 | -98.6 | -5.5 | 0 | 0 | 112.2 | S617 I618 I619 I623 F624 Y625 Y631 P668 Y669 M684 W688 | S617-Q621 WeakPolarHBondContact O-CB 3.48Å; S617-Q621 PolarHBondContact O-N 3.02Å; I618-Q621 PolarHBondContact O-N 3.09Å; I619-Q621 VanDerWaalsContact C-N 3.33Å; I619-Q621 PolarHBondContact O-N 3.5Å; Q621-I623 VanDerWaalsContact C-N 3.31Å; Q621-I623 PolarHBondContact O-N 3.43Å; Q621-F624 PolarHBondContact O-N 3.02Å; Q621-Y625 HydrophobicContact CG-CD2 3.83Å; Q621-Y625 HydrophobicContact CG-CE2 4.02Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.34Å; Q621-Y625 PolarHBondContact O-N 2.88Å; Q621-Y631 PolarHBondContact NE2-O 2.69Å; Q621-P668 HydrophobicContact CG-CB 4.03Å; Q621-Y669 PolarHBondContact NE2-O 3.26Å; Q621-M684 HydrophobicContact CB-SD 3.81Å; Q621-M684 HydrophobicContact CG-SD 4.22Å; Q621-W688 HydrophobicContact CB-CZ2 4.17Å; Q621-W688 HydrophobicContact CG-CH2 4.25Å; Q621-W688 HydrophobicContact CG-CZ2 4.05Å |
| 622 | E | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 176.7 | -170.8 | 177.4 | 175.8 | 0 | 0 | 111.4 | R510 L513 T552 W593 I618 I619 Q626 | R510-E622 IonicContact CZ-OE1 3.56Å; R510-E622 IonicContact NE-OE1 2.64Å; R510-E622 IonicContact NH1-OE1 2.76Å; R510-E622 PolarHBondContact NH1-OE1 3.21Å; R510-E622 IonicContact NH1-OE2 3.56Å; L513-E622 HydrophobicContact CD1-CG 3.85Å; T552-E622 HydrophobicContact CG2-CG 4.47Å; T552-E622 WeakPolarHBondContact CG2-OE2 3.34Å; T552-E622 PolarHBondContact OG1-OE1 2.76Å; T552-E622 PolarHBondContact OG1-OE2 3.46Å; T552-E622 VanDerWaalsContact OG1-OE2 3.04Å; W593-E622 WeakPolarHBondContact CZ2-OE2 3.24Å; I618-E622 WeakPolarHBondContact O-CB 3.17Å; I618-E622 PolarHBondContact O-N 2.81Å; I619-E622 PolarHBondContact O-N 3.27Å; E622-Q626 WeakPolarHBondContact O-CA 3.37Å; E622-Q626 PolarHBondContact O-N 3.27Å |
| 623 | I | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74 | -38.8 | 177.2 | -68.1 | 170.5 | 0 | 0 | 0 | 112 | L509 W520 K525 V528 L529 I619 M620 Q621 | L509-I623 HydrophobicContact CD2-CD1 4.01Å; W520-I623 HydrophobicContact CE3-CG2 3.92Å; W520-I623 HydrophobicContact CZ3-CD1 4.49Å; W520-I623 HydrophobicContact CZ3-CG1 4.11Å; W520-I623 HydrophobicContact CZ3-CG2 3.97Å; K525-I623 HydrophobicContact CB-CG2 3.76Å; K525-I623 HydrophobicContact CD-CG2 4.21Å; K525-I623 WeakPolarHBondContact CE-O 3.29Å; K525-I623 HydrophobicContact CG-CG2 3.67Å; V528-I623 HydrophobicContact CG1-CD1 3.75Å; L529-I623 HydrophobicContact CD1-CG2 4.29Å; L529-I623 HydrophobicContact CD2-CD1 3.82Å; L529-I623 HydrophobicContact CG-CD1 3.94Å; I619-I623 HydrophobicContact CG2-CD1 3.82Å; I619-I623 HydrophobicContact CG2-CG1 4.42Å; I619-I623 WeakPolarHBondContact O-CG1 3.27Å; I619-I623 PolarHBondContact O-N 3.04Å; M620-I623 PolarHBondContact O-N 3.2Å; Q621-I623 VanDerWaalsContact C-N 3.31Å; Q621-I623 PolarHBondContact O-N 3.43Å |
| 624 | F | 89.3 | Confident | 90.2 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -48.5 | -178.4 | -80.3 | 10.3 | 0 | 0 | 0 | 111.5 | W522 K525 L529 M620 Q621 L680 V681 M684 | W522-F624 HydrophobicContact CH2-CD1 4.27Å; W522-F624 HydrophobicContact CH2-CD2 4.29Å; W522-F624 HydrophobicContact CH2-CE1 4.38Å; W522-F624 HydrophobicContact CH2-CE2 4.41Å; W522-F624 HydrophobicContact CH2-CG 4.19Å; W522-F624 HydrophobicContact CH2-CZ 4.43Å; W522-F624 AromaticContact CZ3-CD1 3.83Å; W522-F624 HydrophobicContact CZ3-CD1 3.83Å; W522-F624 HydrophobicContact CZ3-CD2 4.45Å; W522-F624 AromaticContact CZ3-CE1 3.63Å; W522-F624 HydrophobicContact CZ3-CE1 3.63Å; W522-F624 HydrophobicContact CZ3-CE2 4.29Å; W522-F624 HydrophobicContact CZ3-CG 4.21Å; W522-F624 AromaticContact CZ3-CZ 3.87Å; W522-F624 HydrophobicContact CZ3-CZ 3.87Å; K525-F624 HydrophobicContact CD-CD1 4.47Å; K525-F624 PolarHBondContact NZ-O 2.79Å; L529-F624 HydrophobicContact CD1-CD1 4Å; L529-F624 HydrophobicContact CD1-CE1 3.39Å; L529-F624 HydrophobicContact CD1-CZ 4.23Å; M620-F624 HydrophobicContact CE-CE1 4.22Å; M620-F624 HydrophobicContact CE-CE2 3.54Å; M620-F624 HydrophobicContact CE-CZ 3.28Å; M620-F624 HydrophobicContact CG-CD1 4.37Å; M620-F624 HydrophobicContact CG-CD2 4.38Å; M620-F624 HydrophobicContact CG-CE1 4.03Å; M620-F624 HydrophobicContact CG-CE2 4.03Å; M620-F624 HydrophobicContact CG-CZ 3.86Å; M620-F624 WeakPolarHBondContact O-CB 3.49Å; M620-F624 WeakPolarHBondContact O-CD1 3.27Å; M620-F624 VanDerWaalsContact O-CG 3.27Å; M620-F624 WeakPolarHBondContact O-CG 3.47Å; M620-F624 PolarHBondContact O-N 3.43Å; M620-F624 HydrophobicContact SD-CZ 4.43Å; Q621-F624 PolarHBondContact O-N 3.02Å; F624-L680 HydrophobicContact CZ-CB 4.31Å; F624-V681 HydrophobicContact CD2-CG2 4.43Å; F624-V681 HydrophobicContact CE2-CG2 4.11Å; F624-M684 HydrophobicContact CD2-CE 4.37Å; F624-M684 HydrophobicContact CD2-SD 4.1Å; F624-M684 HydrophobicContact CE2-SD 4.44Å |
| 625 | Y | 87.7 | Confident | 89.3 | Confident | 48 Ų | 48 | 26.2 Ų | 26.2 | 19% | 0.188 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -99.1 | -24.3 | -174.3 | -59.5 | -69.1 | 0 | 0 | 0 | 113.6 | Q621 H627 Y631 Y669 D671 M684 | Q621-Y625 HydrophobicContact CG-CD2 3.83Å; Q621-Y625 HydrophobicContact CG-CE2 4.02Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.34Å; Q621-Y625 PolarHBondContact O-N 2.88Å; Y625-H627 PolarHBondContact O-CE1 3.1Å; Y625-H627 PolarHBondContact O-N 3.34Å; Y625-H627 PolarHBondContact O-ND1 2.88Å; Y625-Y631 HydrophobicContact CG-CD1 4.33Å; Y625-Y669 HydrophobicContact CD1-CD1 4.49Å; Y625-Y669 HydrophobicContact CD1-CE1 4.46Å; Y625-Y669 HydrophobicContact CE1-CD1 4.15Å; Y625-Y669 AromaticContact CE1-CE1 3.95Å; Y625-Y669 HydrophobicContact CE1-CE1 3.95Å; Y625-Y669 HydrophobicContact CE2-CD1 4.38Å; Y625-Y669 WeakPolarHBondContact CE2-O 3.46Å; Y625-D671 PolarHBondContact OH-N 3.39Å; Y625-M684 HydrophobicContact CE2-CE 4.4Å |
| 626 | Q | 85.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | trans | 56.4 | 32.9 | -177.6 | -56.1 | 179.8 | -52.1 | 0 | 0 | 114.4 | L513 V518 R519 E622 | L513-Q626 HydrophobicContact CD2-CG 4.28Å; V518-Q626 PolarHBondContact O-NE2 3.14Å; R519-Q626 VanDerWaalsContact CA-OE1 3.28Å; E622-Q626 WeakPolarHBondContact O-CA 3.37Å; E622-Q626 PolarHBondContact O-N 3.27Å | ||
| 627 | H | 86 | Confident | 87.7 | Confident | 100 Ų | 100 | 30.4 Ų | 30.4 | 46% | 0.463 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -107 | 24.3 | 178.5 | -74.7 | 78 | 0 | 0 | 0 | 112.9 | Y625 Y631 | Y625-H627 PolarHBondContact O-CE1 3.1Å; Y625-H627 PolarHBondContact O-N 3.34Å; Y625-H627 PolarHBondContact O-ND1 2.88Å; H627-Y631 HydrophobicContact CB-CD1 4.26Å; H627-Y631 HydrophobicContact CB-CD2 3.29Å; H627-Y631 HydrophobicContact CB-CE2 3.87Å; H627-Y631 HydrophobicContact CB-CG 3.52Å; H627-Y631 AromaticContact CD2-CE2 3.78Å; H627-Y631 AromaticContact CG-CD2 3.8Å; H627-Y631 AromaticContact CG-CE2 3.84Å |
| 628 | G | 88.4 | Confident | 86.8 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | trans | 77 | -176.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 629 | P | 91.3 | Very high | 86 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -77.2 | 144.1 | -173.4 | 33 | -27.8 | 0 | 0 | 0 | 109.7 | R510 L592 W593 I618 Y631 | R510-P629 VanDerWaalsContact NH1-CG 3.34Å; L592-P629 HydrophobicContact CB-CB 4.42Å; L592-P629 HydrophobicContact CD1-CB 4.33Å; L592-P629 HydrophobicContact CD1-CG 3.74Å; W593-P629 HydrophobicContact CD2-CB 4.49Å; W593-P629 HydrophobicContact CH2-CB 3.78Å; W593-P629 HydrophobicContact CH2-CG 3.73Å; W593-P629 HydrophobicContact CZ2-CB 3.39Å; W593-P629 HydrophobicContact CZ2-CG 3.84Å; W593-P629 HydrophobicContact CZ3-CB 4.45Å; W593-P629 HydrophobicContact CZ3-CG 4.42Å; I618-P629 HydrophobicContact CG2-CB 4.42Å; P629-Y631 PolarHBondContact O-N 3.31Å |
| 630 | F | 92 | Very high | 85 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 52.6 | 56.9 | 179.2 | -147.1 | -66.8 | 0 | 0 | 0 | 111.4 | L592 Y614 I618 V632 R649 I653 V657 F666 P668 | L592-F630 HydrophobicContact CB-CB 4.44Å; L592-F630 HydrophobicContact CD2-CB 4.22Å; Y614-F630 WeakPolarHBondContact OH-CE2 3.18Å; I618-F630 HydrophobicContact CD1-CD2 3.9Å; I618-F630 HydrophobicContact CD1-CE2 4.25Å; F630-V632 HydrophobicContact CD1-CG2 3.8Å; F630-V632 HydrophobicContact CE1-CG2 4.06Å; F630-R649 PolarHBondContact O-NH2 2.93Å; F630-I653 HydrophobicContact CB-CG2 4.27Å; F630-I653 HydrophobicContact CD1-CD1 4.45Å; F630-I653 HydrophobicContact CD1-CG2 3.44Å; F630-I653 VanDerWaalsContact CD1-CG2 3.44Å; F630-I653 HydrophobicContact CD2-CG2 4.06Å; F630-I653 HydrophobicContact CE1-CG2 3.67Å; F630-I653 HydrophobicContact CE2-CG2 4.25Å; F630-I653 HydrophobicContact CG-CG2 3.66Å; F630-I653 HydrophobicContact CZ-CG2 4.08Å; F630-V657 HydrophobicContact CE1-CG2 4.27Å; F630-V657 HydrophobicContact CE2-CG2 3.61Å; F630-V657 HydrophobicContact CZ-CG2 3.37Å; F630-F666 HydrophobicContact CE1-CD1 4.1Å; F630-F666 AromaticContact CE1-CE1 3.79Å; F630-F666 HydrophobicContact CE1-CE1 3.79Å; F630-F666 HydrophobicContact CZ-CD1 4.28Å; F630-F666 HydrophobicContact CZ-CE1 4.4Å; F630-P668 HydrophobicContact CD1-CB 4.25Å; F630-P668 HydrophobicContact CD1-CG 4.02Å; F630-P668 HydrophobicContact CD2-CG 3.9Å; F630-P668 HydrophobicContact CE1-CB 4.33Å; F630-P668 HydrophobicContact CE1-CG 3.93Å; F630-P668 HydrophobicContact CE2-CG 3.81Å; F630-P668 HydrophobicContact CG-CG 4.01Å; F630-P668 HydrophobicContact CZ-CG 3.81Å |
| 631 | Y | 88.9 | Confident | 84 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 14% | 0.137 | 24% | 0.243 | C | C | . | . | trans | -69.8 | 135.6 | 175.3 | 167.5 | -107.4 | 0 | 0 | 0 | 110.7 | Q621 Y625 H627 P629 Q640 Y669 | Q621-Y631 PolarHBondContact NE2-O 2.69Å; Y625-Y631 HydrophobicContact CG-CD1 4.33Å; H627-Y631 HydrophobicContact CB-CD1 4.26Å; H627-Y631 HydrophobicContact CB-CD2 3.29Å; H627-Y631 HydrophobicContact CB-CE2 3.87Å; H627-Y631 HydrophobicContact CB-CG 3.52Å; H627-Y631 AromaticContact CD2-CE2 3.78Å; H627-Y631 AromaticContact CG-CD2 3.8Å; H627-Y631 AromaticContact CG-CE2 3.84Å; P629-Y631 PolarHBondContact O-N 3.31Å; Y631-Q640 VanDerWaalsContact CD2-NE2 3.29Å; Y631-Y669 AromaticContact CD1-CD1 3.87Å; Y631-Y669 HydrophobicContact CD1-CD1 3.87Å; Y631-Y669 HydrophobicContact CD1-CG 4.35Å; Y631-Y669 AromaticContact CE1-CD1 3.54Å; Y631-Y669 HydrophobicContact CE1-CD1 3.54Å; Y631-Y669 HydrophobicContact CE1-CE1 4.2Å; Y631-Y669 HydrophobicContact CE1-CG 4.13Å; Y631-Y669 WeakPolarHBondContact O-CB 3.25Å; Y631-Y669 PolarHBondContact O-N 3.36Å | ||
| 632 | V | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -130 | 149.8 | -177.9 | -173.2 | 0 | 0 | 0 | 0 | 107.2 | F630 Q636 Q640 F666 | F630-V632 HydrophobicContact CD1-CG2 3.8Å; F630-V632 HydrophobicContact CE1-CG2 4.06Å; V632-Q636 HydrophobicContact CG1-CB 3.63Å; V632-Q636 HydrophobicContact CG1-CG 4.41Å; V632-Q640 VanDerWaalsContact O-CD 3.25Å; V632-Q640 PolarHBondContact O-NE2 3.3Å; V632-Q640 VanDerWaalsContact O-NE2 3.14Å; V632-F666 HydrophobicContact CG1-CE2 4.35Å; V632-F666 HydrophobicContact CG1-CZ 4.03Å; V632-F666 HydrophobicContact CG2-CE1 4.42Å; V632-F666 HydrophobicContact CG2-CZ 4.01Å | ||
| 633 | Q | 81.9 | Confident | 82.5 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | trans | -65.4 | 150.2 | 176.7 | -65.3 | -178.4 | -53.3 | 0 | 0 | 111.7 | D635 Q636 Y669 | Q633-D635 WeakPolarHBondContact CB-OD1 3.32Å; Q633-D635 PolarHBondContact O-N 2.95Å; Q633-D635 VanDerWaalsContact O-N 3.17Å; Q633-Q636 HydrophobicContact CB-CG 4.45Å; Q633-Q636 PolarHBondContact O-N 3.44Å; Q633-Q636 VanDerWaalsContact O-N 3.17Å; Q633-Y669 HydrophobicContact CG-CD2 3.26Å; Q633-Y669 HydrophobicContact CG-CE2 3.52Å; Q633-Y669 HydrophobicContact CG-CG 3.83Å | ||
| 634 | P | 73.1 | Confident | 82 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.8 | -174.9 | -23.2 | 33.5 | 0 | 0 | 0 | 115.5 | ||
| 635 | D | 78.4 | Confident | 81.5 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.7 | 179.8 | 58.3 | -40.1 | 0 | 0 | 0 | 113.4 | Q633 | Q633-D635 WeakPolarHBondContact CB-OD1 3.32Å; Q633-D635 PolarHBondContact O-N 2.95Å; Q633-D635 VanDerWaalsContact O-N 3.17Å |
| 636 | Q | 77.7 | Confident | 81.4 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -22.2 | -174.2 | -63.5 | 179 | -8.3 | 0 | 0 | 113.8 | V632 Q633 | V632-Q636 HydrophobicContact CG1-CB 3.63Å; V632-Q636 HydrophobicContact CG1-CG 4.41Å; Q633-Q636 HydrophobicContact CB-CG 4.45Å; Q633-Q636 PolarHBondContact O-N 3.44Å; Q633-Q636 VanDerWaalsContact O-N 3.17Å |
| 637 | L | 78.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | trans | -141.9 | 115.5 | -179.4 | -171.2 | 73.2 | 0 | 0 | 0 | 111.1 | E639 Q640 R649 A652 I653 L656 | L637-E639 WeakPolarHBondContact CD1-OE2 3.34Å; L637-E639 HydrophobicContact CD2-CB 4.15Å; L637-E639 HydrophobicContact CG-CB 4.1Å; L637-E639 VanDerWaalsContact CG-OE2 3.29Å; L637-E639 WeakPolarHBondContact CG-OE2 3.17Å; L637-E639 PolarHBondContact O-N 2.88Å; L637-Q640 HydrophobicContact CB-CB 4.38Å; L637-Q640 WeakPolarHBondContact O-CB 3.24Å; L637-Q640 PolarHBondContact O-N 2.78Å; L637-R649 HydrophobicContact CD2-CG 4.39Å; L637-A652 HydrophobicContact CD1-CB 4.39Å; L637-I653 HydrophobicContact CD2-CD1 4.19Å; L637-I653 HydrophobicContact CD2-CG1 3.65Å; L637-L656 HydrophobicContact CD1-CD1 3.66Å | ||
| 638 | P | 76.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -55.8 | -37.6 | 176.7 | -23.7 | 31.7 | 0 | 0 | 0 | 113.6 | Q640 R641 | P638-Q640 PolarHBondContact O-N 2.91Å; P638-R641 PolarHBondContact O-N 3.01Å |
| 639 | E | 78.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -69.5 | -6.7 | 179.1 | -60.8 | 84.6 | 169.5 | 0 | 0 | 112.9 | L637 R641 L642 R649 A652 | L637-E639 WeakPolarHBondContact CD1-OE2 3.34Å; L637-E639 HydrophobicContact CD2-CB 4.15Å; L637-E639 HydrophobicContact CG-CB 4.1Å; L637-E639 VanDerWaalsContact CG-OE2 3.29Å; L637-E639 WeakPolarHBondContact CG-OE2 3.17Å; L637-E639 PolarHBondContact O-N 2.88Å; E639-R641 PolarHBondContact O-N 2.95Å; E639-L642 HydrophobicContact CB-CD1 4.07Å; E639-L642 HydrophobicContact CG-CD1 4.39Å; E639-L642 WeakPolarHBondContact O-CB 3.21Å; E639-L642 WeakPolarHBondContact O-CG 3.46Å; E639-L642 PolarHBondContact O-N 3.5Å; E639-R649 HydrophobicContact CB-CB 4.41Å; E639-A652 HydrophobicContact CG-CB 4.17Å |
| 640 | Q | 74.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -62.5 | -22.5 | 174 | -168.8 | 62.8 | 15.3 | 0 | 0 | 112.3 | Y631 V632 L637 P638 L642 | Y631-Q640 VanDerWaalsContact CD2-NE2 3.29Å; V632-Q640 VanDerWaalsContact O-CD 3.25Å; V632-Q640 PolarHBondContact O-NE2 3.3Å; V632-Q640 VanDerWaalsContact O-NE2 3.14Å; L637-Q640 HydrophobicContact CB-CB 4.38Å; L637-Q640 WeakPolarHBondContact O-CB 3.24Å; L637-Q640 PolarHBondContact O-N 2.78Å; P638-Q640 PolarHBondContact O-N 2.91Å; Q640-L642 PolarHBondContact O-N 3.1Å |
| 641 | R | 72.6 | Confident | 81.3 | Confident | 227 Ų | 227 | 75.2 Ų | 75.2 | 86% | 0.857 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.9 | 169.9 | -73.5 | -172.6 | -92.3 | -171.2 | -8.7 | 112.8 | P638 E639 | P638-R641 PolarHBondContact O-N 3.01Å; E639-R641 PolarHBondContact O-N 2.95Å |
| 642 | L | 76.5 | Confident | 81.3 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -78.5 | 134.3 | 173.9 | -53.4 | 170.6 | 0 | 0 | 0 | 108.9 | E639 Q640 E648 R649 | E639-L642 HydrophobicContact CB-CD1 4.07Å; E639-L642 HydrophobicContact CG-CD1 4.39Å; E639-L642 WeakPolarHBondContact O-CB 3.21Å; E639-L642 WeakPolarHBondContact O-CG 3.46Å; E639-L642 PolarHBondContact O-N 3.5Å; Q640-L642 PolarHBondContact O-N 3.1Å; L642-E648 HydrophobicContact CD1-CB 4.11Å; L642-R649 HydrophobicContact CB-CB 4.21Å; L642-R649 VanDerWaalsContact O-CD 3.29Å; L642-R649 WeakPolarHBondContact O-CD 3.38Å |
| 643 | G | 76.7 | Confident | 81.5 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | trans | -55 | 157.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R645 S646 | G643-R645 PolarHBondContact O-N 3.15Å; G643-S646 WeakPolarHBondContact O-CB 3.28Å; G643-S646 PolarHBondContact O-N 3.36Å | ||
| 644 | H | 79.4 | Confident | 81.9 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9 | -177.9 | 69.3 | -62.5 | 0 | 0 | 0 | 115.6 | D514 | D514-H644 IonicContact OD1-CD2 2.75Å; D514-H644 IonicContact OD1-CE1 3.71Å; D514-H644 IonicContact OD1-NE2 2.71Å; D514-H644 PolarHBondContact OD1-NE2 3.1Å |
| 645 | R | 78.9 | Confident | 82.7 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 59% | 0.592 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.7 | 170.9 | -60.4 | -174.4 | -171.6 | -100.9 | -3.9 | 113.5 | D514 I589 G643 R647 | D514-R645 VanDerWaalsContact CB-NH2 3.26Å; D514-R645 IonicContact OD1-NH2 3.39Å; D514-R645 PolarHBondContact OD1-NH2 3.22Å; D514-R645 IonicContact OD2-CZ 2.67Å; D514-R645 VanDerWaalsContact OD2-CZ 3.28Å; D514-R645 IonicContact OD2-NH1 2.68Å; D514-R645 PolarHBondContact OD2-NH1 3.39Å; D514-R645 IonicContact OD2-NH2 3.16Å; D514-R645 PolarHBondContact OD2-NH2 2.89Å; I589-R645 WeakPolarHBondContact CD1-O 3.17Å; G643-R645 PolarHBondContact O-N 3.15Å; R645-R647 PolarHBondContact O-N 2.92Å |
| 646 | S | 85.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | trans | -73 | 121 | 179.3 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | G643 E648 R649 A650 | G643-S646 WeakPolarHBondContact O-CB 3.28Å; G643-S646 PolarHBondContact O-N 3.36Å; S646-E648 PolarHBondContact O-N 3.27Å; S646-E648 PolarHBondContact OG-N 2.95Å; S646-R649 PolarHBondContact O-N 3.45Å; S646-R649 PolarHBondContact OG-N 3.16Å; S646-A650 PolarHBondContact O-N 3.23Å; S646-A650 VanDerWaalsContact O-N 3.16Å | ||
| 647 | R | 86.1 | Confident | 83.8 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -32.1 | 173.2 | -72.5 | -178.5 | 174.3 | 168.2 | -3.8 | 112 | I589 R645 A650 R651 | I589-R647 HydrophobicContact CD1-CG 4.02Å; I589-R647 HydrophobicContact CG1-CG 4.3Å; R645-R647 PolarHBondContact O-N 2.92Å; R647-A650 PolarHBondContact O-N 2.93Å; R647-R651 WeakPolarHBondContact O-CG 3.23Å; R647-R651 PolarHBondContact O-N 3.41Å |
| 648 | E | 86.1 | Confident | 84.2 | Confident | 124 Ų | 124 | 65 Ų | 65 | 58% | 0.579 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | 178.9 | -67.3 | 171.2 | -176.4 | 0 | 0 | 111.4 | L642 S646 A650 R651 A652 | L642-E648 HydrophobicContact CD1-CB 4.11Å; S646-E648 PolarHBondContact O-N 3.27Å; S646-E648 PolarHBondContact OG-N 2.95Å; E648-A650 VanDerWaalsContact C-N 3.28Å; E648-A650 PolarHBondContact O-N 2.71Å; E648-R651 PolarHBondContact O-N 3.06Å; E648-A652 PolarHBondContact O-N 2.96Å |
| 649 | R | 89.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 172.8 | 177.3 | 179.8 | 166.2 | -142.7 | -17 | 110.8 | F630 L637 E639 L642 S646 A652 I653 | F630-R649 PolarHBondContact O-NH2 2.93Å; L637-R649 HydrophobicContact CD2-CG 4.39Å; E639-R649 HydrophobicContact CB-CB 4.41Å; L642-R649 HydrophobicContact CB-CB 4.21Å; L642-R649 VanDerWaalsContact O-CD 3.29Å; L642-R649 WeakPolarHBondContact O-CD 3.38Å; S646-R649 PolarHBondContact O-N 3.45Å; S646-R649 PolarHBondContact OG-N 3.16Å; R649-A652 PolarHBondContact O-N 3.14Å; R649-I653 HydrophobicContact CG-CD1 3.92Å; R649-I653 WeakPolarHBondContact O-CG1 3.33Å; R649-I653 PolarHBondContact O-N 2.81Å |
| 650 | A | 90.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | A588 I589 L592 S646 R647 E648 A652 I653 V654 | A588-A650 HydrophobicContact CB-CB 3.91Å; A588-A650 WeakPolarHBondContact O-CB 3.34Å; I589-A650 HydrophobicContact CB-CB 4.49Å; I589-A650 HydrophobicContact CG1-CB 3.87Å; L592-A650 HydrophobicContact CD1-CB 3.92Å; L592-A650 HydrophobicContact CD2-CB 4.3Å; L592-A650 HydrophobicContact CG-CB 4.19Å; S646-A650 PolarHBondContact O-N 3.23Å; S646-A650 VanDerWaalsContact O-N 3.16Å; R647-A650 PolarHBondContact O-N 2.93Å; E648-A650 VanDerWaalsContact C-N 3.28Å; E648-A650 PolarHBondContact O-N 2.71Å; A650-A652 PolarHBondContact O-N 3.44Å; A650-I653 PolarHBondContact O-N 3.21Å; A650-V654 VanDerWaalsContact O-CG2 3.26Å; A650-V654 WeakPolarHBondContact O-CG2 3.5Å; A650-V654 PolarHBondContact O-N 3.09Å |
| 651 | R | 90.4 | Very high | 84.3 | Confident | 113 Ų | 113 | 76 Ų | 76 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.3 | -74.4 | 177.4 | -169.7 | 147.7 | 0.8 | 112.3 | A588 R647 E648 I653 V654 N655 | A588-R651 HydrophobicContact CB-CB 4.22Å; A588-R651 HydrophobicContact CB-CG 3.3Å; R647-R651 WeakPolarHBondContact O-CG 3.23Å; R647-R651 PolarHBondContact O-N 3.41Å; E648-R651 PolarHBondContact O-N 3.06Å; R651-I653 PolarHBondContact O-N 2.77Å; R651-V654 PolarHBondContact O-N 2.94Å; R651-N655 WeakPolarHBondContact O-CB 3.24Å; R651-N655 VanDerWaalsContact O-CG 3.24Å; R651-N655 PolarHBondContact O-N 2.79Å; R651-N655 PolarHBondContact O-ND2 3.21Å |
| 652 | A | 88.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L637 E639 E648 R649 A650 N655 L656 | L637-A652 HydrophobicContact CD1-CB 4.39Å; E639-A652 HydrophobicContact CG-CB 4.17Å; E648-A652 PolarHBondContact O-N 2.96Å; R649-A652 PolarHBondContact O-N 3.14Å; A650-A652 PolarHBondContact O-N 3.44Å; A652-N655 PolarHBondContact O-N 2.67Å; A652-L656 WeakPolarHBondContact O-CG 3.32Å; A652-L656 PolarHBondContact O-N 3.12Å; A652-L656 VanDerWaalsContact O-N 3.09Å |
| 653 | I | 91.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 176 | -68.2 | 168.4 | 0 | 0 | 0 | 110.9 | L592 F630 L637 R649 A650 R651 N655 L656 V657 F666 | L592-I653 HydrophobicContact CD2-CB 3.86Å; L592-I653 HydrophobicContact CD2-CD1 4.35Å; L592-I653 HydrophobicContact CD2-CG2 3.56Å; F630-I653 HydrophobicContact CB-CG2 4.27Å; F630-I653 HydrophobicContact CD1-CD1 4.45Å; F630-I653 HydrophobicContact CD1-CG2 3.44Å; F630-I653 VanDerWaalsContact CD1-CG2 3.44Å; F630-I653 HydrophobicContact CD2-CG2 4.06Å; F630-I653 HydrophobicContact CE1-CG2 3.67Å; F630-I653 HydrophobicContact CE2-CG2 4.25Å; F630-I653 HydrophobicContact CG-CG2 3.66Å; F630-I653 HydrophobicContact CZ-CG2 4.08Å; L637-I653 HydrophobicContact CD2-CD1 4.19Å; L637-I653 HydrophobicContact CD2-CG1 3.65Å; R649-I653 HydrophobicContact CG-CD1 3.92Å; R649-I653 WeakPolarHBondContact O-CG1 3.33Å; R649-I653 PolarHBondContact O-N 2.81Å; A650-I653 PolarHBondContact O-N 3.21Å; R651-I653 PolarHBondContact O-N 2.77Å; I653-N655 VanDerWaalsContact C-N 3.3Å; I653-N655 PolarHBondContact O-N 3.13Å; I653-L656 PolarHBondContact O-N 3.36Å; I653-L656 VanDerWaalsContact O-N 3.1Å; I653-V657 HydrophobicContact CG2-CG2 4.24Å; I653-V657 WeakPolarHBondContact O-CG2 3.15Å; I653-V657 PolarHBondContact O-N 2.91Å; I653-F666 HydrophobicContact CG2-CE1 4.33Å |
| 654 | V | 90.2 | Very high | 83.7 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.9 | -43.7 | -179.4 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | Q591 L592 L599 A650 R651 L656 V657 K658 | Q591-V654 HydrophobicContact CB-CG2 3.74Å; L592-V654 HydrophobicContact CD2-CG2 4.09Å; L599-V654 HydrophobicContact CD1-CG1 4.36Å; L599-V654 HydrophobicContact CD2-CG1 4.31Å; A650-V654 VanDerWaalsContact O-CG2 3.26Å; A650-V654 WeakPolarHBondContact O-CG2 3.5Å; A650-V654 PolarHBondContact O-N 3.09Å; R651-V654 PolarHBondContact O-N 2.94Å; V654-L656 VanDerWaalsContact C-N 3.33Å; V654-L656 PolarHBondContact O-N 2.81Å; V654-V657 PolarHBondContact O-N 2.84Å; V654-K658 HydrophobicContact CG1-CD 4.39Å; V654-K658 WeakPolarHBondContact O-CG 3.42Å; V654-K658 PolarHBondContact O-N 3.08Å |
| 655 | N | 89.7 | Confident | 84 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.3 | -73.6 | -18.5 | 0 | 0 | 0 | 112.3 | R651 A652 I653 Q659 | R651-N655 WeakPolarHBondContact O-CB 3.24Å; R651-N655 VanDerWaalsContact O-CG 3.24Å; R651-N655 PolarHBondContact O-N 2.79Å; R651-N655 PolarHBondContact O-ND2 3.21Å; A652-N655 PolarHBondContact O-N 2.67Å; I653-N655 VanDerWaalsContact C-N 3.3Å; I653-N655 PolarHBondContact O-N 3.13Å; N655-Q659 WeakPolarHBondContact O-CG 3.29Å; N655-Q659 PolarHBondContact O-N 3.34Å |
| 656 | L | 89.9 | Confident | 84.5 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 176 | -70.3 | 171 | 0 | 0 | 0 | 112.6 | L637 A652 I653 V654 Q659 F666 | L637-L656 HydrophobicContact CD1-CD1 3.66Å; A652-L656 WeakPolarHBondContact O-CG 3.32Å; A652-L656 PolarHBondContact O-N 3.12Å; A652-L656 VanDerWaalsContact O-N 3.09Å; I653-L656 PolarHBondContact O-N 3.36Å; I653-L656 VanDerWaalsContact O-N 3.1Å; V654-L656 VanDerWaalsContact C-N 3.33Å; V654-L656 PolarHBondContact O-N 2.81Å; L656-Q659 PolarHBondContact O-N 3.05Å; L656-F666 HydrophobicContact CB-CB 4.3Å; L656-F666 HydrophobicContact CB-CD1 3.51Å; L656-F666 HydrophobicContact CB-CE1 3.89Å; L656-F666 HydrophobicContact CB-CG 3.89Å; L656-F666 HydrophobicContact CD1-CD1 4.3Å; L656-F666 HydrophobicContact CD1-CE1 3.91Å; L656-F666 HydrophobicContact CD1-CE2 4.24Å; L656-F666 HydrophobicContact CD1-CZ 3.88Å |
| 657 | V | 90.2 | Very high | 84.8 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | P596 L599 R600 F630 I653 V654 Q659 F666 | P596-V657 HydrophobicContact CB-CG1 3.85Å; L599-V657 HydrophobicContact CD1-CG1 3.99Å; R600-V657 PolarHBondContact NH2-O 2.69Å; F630-V657 HydrophobicContact CE1-CG2 4.27Å; F630-V657 HydrophobicContact CE2-CG2 3.61Å; F630-V657 HydrophobicContact CZ-CG2 3.37Å; I653-V657 HydrophobicContact CG2-CG2 4.24Å; I653-V657 WeakPolarHBondContact O-CG2 3.15Å; I653-V657 PolarHBondContact O-N 2.91Å; V654-V657 PolarHBondContact O-N 2.84Å; V657-Q659 PolarHBondContact O-N 2.91Å; V657-F666 HydrophobicContact CG2-CD1 4Å |
| 658 | K | 87.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -33.6 | 173.2 | -76.9 | -176.7 | 179.4 | -170.1 | 0 | 111.6 | E585 L599 R600 V654 R660 | E585-K658 IonicContact OE1-NZ 3.43Å; L599-K658 HydrophobicContact CB-CG 4.01Å; L599-K658 VanDerWaalsContact O-CE 3.27Å; L599-K658 WeakPolarHBondContact O-CE 3.34Å; R600-K658 WeakPolarHBondContact CD-O 3.44Å; R600-K658 PolarHBondContact NE-O 3.12Å; V654-K658 HydrophobicContact CG1-CD 4.39Å; V654-K658 WeakPolarHBondContact O-CG 3.42Å; V654-K658 PolarHBondContact O-N 3.08Å; K658-R660 PolarHBondContact O-N 3.12Å |
| 659 | Q | 85.8 | Confident | 85.2 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -72 | 126.5 | 178.4 | -67.9 | 169.1 | 20.9 | 0 | 0 | 111.7 | N655 L656 V657 R661 | N655-Q659 WeakPolarHBondContact O-CG 3.29Å; N655-Q659 PolarHBondContact O-N 3.34Å; L656-Q659 PolarHBondContact O-N 3.05Å; V657-Q659 PolarHBondContact O-N 2.91Å; Q659-R661 HydrophobicContact CB-CG 4.08Å; Q659-R661 PolarHBondContact O-N 3.49Å |
| 660 | R | 76 | Confident | 85.1 | Confident | 193 Ų | 193 | 64.8 Ų | 64.8 | 73% | 0.728 | 31% | 0.309 | S | S | * | . | trans | -76.1 | 62.8 | 167.5 | -73.3 | -173.9 | 176.8 | -175.9 | 1.4 | 110.7 | R600 K658 R662 | R600-R660 VanDerWaalsContact CZ-CG 3.48Å; K658-R660 PolarHBondContact O-N 3.12Å; R660-R662 PolarHBondContact O-N 3.44Å | ||
| 661 | R | 69.2 | Low | 84.6 | Confident | 138 Ų | 138 | 66 Ų | 66 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | trans | -62 | 136.5 | 176.2 | -75.3 | -168.6 | 173 | -160 | -4.4 | 110.3 | Q659 A664 | Q659-R661 HydrophobicContact CB-CG 4.08Å; Q659-R661 PolarHBondContact O-N 3.49Å; R661-A664 CarbonylContact O-C 3.46Å | ||
| 662 | R | 57.7 | Low | 83.6 | Confident | 235 Ų | 235 | 66.9 Ų | 66.9 | 89% | 0.887 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -108.9 | 148 | 170.3 | -73.6 | -175.8 | 175.3 | 178.6 | -1.3 | 108.5 | R660 | R660-R662 PolarHBondContact O-N 3.44Š|
| 663 | P | 74.1 | Confident | 82.1 | Confident | 142 Ų | 142 | 74 Ų | 74 | 92% | 0.922 | 36% | 0.357 | S | S | * | . | S | Bend | cis | -80.5 | -23.4 | 9.9 | 30.5 | -34.5 | 0 | 0 | 0 | 114.7 | ||
| 664 | A | 80.7 | Confident | 80.3 | Confident | 65 Ų | 65 | 81.9 Ų | 81.9 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -124.7 | 142.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R661 | R661-A664 CarbonylContact O-C 3.46Š|
| 665 | P | 86.1 | Confident | 78.8 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | trans | -70.5 | 150.5 | 179.4 | 32.8 | -37.2 | 0 | 0 | 0 | 110.9 | R667 | P665-R667 PolarHBondContact O-N 3.5Š| ||
| 666 | F | 89.9 | Confident | 77.8 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 13% | 0.127 | 41% | 0.409 | C | S | . | . | trans | -68.1 | 126.1 | 179.3 | -171.3 | -111.2 | 0 | 0 | 0 | 110.5 | F630 V632 I653 L656 V657 | F630-F666 HydrophobicContact CE1-CD1 4.1Å; F630-F666 AromaticContact CE1-CE1 3.79Å; F630-F666 HydrophobicContact CE1-CE1 3.79Å; F630-F666 HydrophobicContact CZ-CD1 4.28Å; F630-F666 HydrophobicContact CZ-CE1 4.4Å; V632-F666 HydrophobicContact CG1-CE2 4.35Å; V632-F666 HydrophobicContact CG1-CZ 4.03Å; V632-F666 HydrophobicContact CG2-CE1 4.42Å; V632-F666 HydrophobicContact CG2-CZ 4.01Å; I653-F666 HydrophobicContact CG2-CE1 4.33Å; L656-F666 HydrophobicContact CB-CB 4.3Å; L656-F666 HydrophobicContact CB-CD1 3.51Å; L656-F666 HydrophobicContact CB-CE1 3.89Å; L656-F666 HydrophobicContact CB-CG 3.89Å; L656-F666 HydrophobicContact CD1-CD1 4.3Å; L656-F666 HydrophobicContact CD1-CE1 3.91Å; L656-F666 HydrophobicContact CD1-CE2 4.24Å; L656-F666 HydrophobicContact CD1-CZ 3.88Å; V657-F666 HydrophobicContact CG2-CD1 4Å | ||
| 667 | R | 92 | Very high | 77.3 | Confident | 34 Ų | 34 | 85.6 Ų | 85.6 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | trans | -140.3 | 159.8 | -173.4 | -70.5 | -56.6 | -175.1 | -95.1 | -2.4 | 111.9 | P665 W688 E690 | P665-R667 PolarHBondContact O-N 3.5Å; R667-W688 HydrophobicContact CB-CE3 4.15Å; R667-W688 HydrophobicContact CG-CB 4.37Å; R667-W688 VanDerWaalsContact CZ-O 3.28Å; R667-W688 PolarHBondContact NE-O 3.35Å; R667-W688 PolarHBondContact NH2-O 2.72Å; R667-E690 IonicContact CZ-OE2 3.28Å; R667-E690 IonicContact NH1-OE2 3.43Å; R667-E690 IonicContact NH2-OE2 2.75Å; R667-E690 PolarHBondContact NH2-OE2 3.49Å | ||
| 668 | P | 91.6 | Very high | 76.9 | Confident | 8 Ų | 8 | 93 Ų | 93 | 5% | 0.052 | 44% | 0.435 | C | S | . | . | trans | -61.4 | 160.1 | 175.7 | -16.5 | 28.9 | 0 | 0 | 0 | 112 | I618 Q621 F630 A670 W688 | I618-P668 HydrophobicContact CD1-CG 3.56Å; Q621-P668 HydrophobicContact CG-CB 4.03Å; F630-P668 HydrophobicContact CD1-CB 4.25Å; F630-P668 HydrophobicContact CD1-CG 4.02Å; F630-P668 HydrophobicContact CD2-CG 3.9Å; F630-P668 HydrophobicContact CE1-CB 4.33Å; F630-P668 HydrophobicContact CE1-CG 3.93Å; F630-P668 HydrophobicContact CE2-CG 3.81Å; F630-P668 HydrophobicContact CG-CG 4.01Å; F630-P668 HydrophobicContact CZ-CG 3.81Å; P668-A670 PolarHBondContact O-N 3.19Å; P668-W688 HydrophobicContact CB-CH2 3.74Å; P668-W688 HydrophobicContact CB-CZ2 3.83Å; P668-W688 HydrophobicContact CB-CZ3 4.34Å; P668-W688 HydrophobicContact CG-CD2 4.41Å; P668-W688 HydrophobicContact CG-CH2 4.06Å; P668-W688 HydrophobicContact CG-CZ2 3.74Å; P668-W688 VanDerWaalsContact O-CZ3 3.29Å; P668-W688 WeakPolarHBondContact O-CZ3 3.21Å | ||
| 669 | Y | 89.4 | Confident | 76.9 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 18% | 0.18 | 45% | 0.447 | C | S | . | . | trans | -64.5 | 133.6 | 172.7 | 175.3 | -109.8 | 0 | 0 | 0 | 111.2 | Q621 Y625 Y631 Q633 D671 | Q621-Y669 PolarHBondContact NE2-O 3.26Å; Y625-Y669 HydrophobicContact CD1-CD1 4.49Å; Y625-Y669 HydrophobicContact CD1-CE1 4.46Å; Y625-Y669 HydrophobicContact CE1-CD1 4.15Å; Y625-Y669 AromaticContact CE1-CE1 3.95Å; Y625-Y669 HydrophobicContact CE1-CE1 3.95Å; Y625-Y669 HydrophobicContact CE2-CD1 4.38Å; Y625-Y669 WeakPolarHBondContact CE2-O 3.46Å; Y631-Y669 AromaticContact CD1-CD1 3.87Å; Y631-Y669 HydrophobicContact CD1-CD1 3.87Å; Y631-Y669 HydrophobicContact CD1-CG 4.35Å; Y631-Y669 AromaticContact CE1-CD1 3.54Å; Y631-Y669 HydrophobicContact CE1-CD1 3.54Å; Y631-Y669 HydrophobicContact CE1-CE1 4.2Å; Y631-Y669 HydrophobicContact CE1-CG 4.13Å; Y631-Y669 WeakPolarHBondContact O-CB 3.25Å; Y631-Y669 PolarHBondContact O-N 3.36Å; Q633-Y669 HydrophobicContact CG-CD2 3.26Å; Q633-Y669 HydrophobicContact CG-CE2 3.52Å; Q633-Y669 HydrophobicContact CG-CG 3.83Å; Y669-D671 HydrophobicContact CE1-CB 4.26Å; Y669-D671 PolarHBondContact OH-OD2 2.68Å | ||
| 670 | A | 86.1 | Confident | 77 | Confident | 24 Ų | 24 | 90 Ų | 90 | 20% | 0.198 | 43% | 0.428 | C | S | . | . | trans | -140.9 | 124.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P668 V681 M684 I685 W688 | P668-A670 PolarHBondContact O-N 3.19Å; A670-V681 HydrophobicContact CB-CG1 4.16Å; A670-M684 HydrophobicContact CB-CE 3.85Å; A670-I685 HydrophobicContact CB-CD1 3.81Å; A670-I685 HydrophobicContact CB-CG1 3.81Å; A670-W688 HydrophobicContact CB-CH2 3.85Å; A670-W688 HydrophobicContact CB-CZ3 3.75Å | ||
| 671 | D | 80.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 80.9 Ų | 80.9 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | trans | -88.6 | 113.3 | 173.1 | -164.6 | -23.5 | 0 | 0 | 0 | 110.5 | Y625 Y669 L673 E674 | Y625-D671 PolarHBondContact OH-N 3.39Å; Y669-D671 HydrophobicContact CE1-CB 4.26Å; Y669-D671 PolarHBondContact OH-OD2 2.68Å; D671-L673 PolarHBondContact OD1-N 3.16Å; D671-E674 HydrophobicContact CB-CB 4.5Å; D671-E674 PolarHBondContact OD1-N 2.76Å; D671-E674 WeakPolarHBondContact OD2-CB 3.37Å; D671-E674 VanDerWaalsContact OD2-CG 3.25Å; D671-E674 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 672 | K | 69.6 | Low | 78.7 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -79.4 | -19.5 | 177.9 | -65.7 | -178.2 | -179.7 | 177.8 | 0 | 113.2 | I685 | K672-I685 HydrophobicContact CD-CD1 4.41Å; K672-I685 HydrophobicContact CG-CD1 3.98Å |
| 673 | L | 56.6 | Low | 80.3 | Confident | 170 Ų | 170 | 67.1 Ų | 67.1 | 89% | 0.89 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -96 | -37.4 | -173 | -86.6 | 133.3 | 0 | 0 | 0 | 112.8 | D671 | D671-L673 PolarHBondContact OD1-N 3.16Š|
| 674 | E | 53.2 | Low | 81.2 | Confident | 165 Ų | 165 | 60.4 Ų | 60.4 | 77% | 0.771 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -92.8 | -7.8 | -171.7 | -71.5 | -166 | 161.9 | 0 | 0 | 116 | D671 K676 | D671-E674 HydrophobicContact CB-CB 4.5Å; D671-E674 PolarHBondContact OD1-N 2.76Å; D671-E674 WeakPolarHBondContact OD2-CB 3.37Å; D671-E674 VanDerWaalsContact OD2-CG 3.25Å; D671-E674 WeakPolarHBondContact OD2-CG 3.42Å; E674-K676 PolarHBondContact O-N 3.33Å; E674-K676 VanDerWaalsContact O-N 3.13Å |
| 675 | A | 59 | Low | 81.8 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | trans | -78.8 | 111 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H677 R678 V681 | A675-H677 CarbonylContact O-C 3.6Å; A675-H677 PolarHBondContact O-N 2.83Å; A675-R678 PolarHBondContact O-N 3.07Å; A675-R678 VanDerWaalsContact O-N 3.08Å; A675-V681 HydrophobicContact CB-CB 4.25Å; A675-V681 HydrophobicContact CB-CG2 3.24Å | ||
| 676 | K | 68.2 | Low | 82.2 | Confident | 158 Ų | 158 | 63.2 Ų | 63.2 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.2 | -25.9 | 164.2 | -170.5 | 177.7 | -179.3 | 178.7 | 0 | 113.8 | W522 E674 | W522-K676 HydrophobicContact CG-CD 4.44Å; E674-K676 PolarHBondContact O-N 3.33Å; E674-K676 VanDerWaalsContact O-N 3.13Å |
| 677 | H | 79.2 | Confident | 82.4 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 67.2 | 176.1 | -55.5 | -74.4 | 0 | 0 | 0 | 111.4 | W522 A675 T679 L680 V681 E708 | W522-H677 AromaticContact CD2-CD2 3.63Å; W522-H677 AromaticContact CD2-NE2 3.99Å; W522-H677 AromaticContact CE3-CD2 3.48Å; W522-H677 VanDerWaalsContact CE3-CD2 3.48Å; W522-H677 AromaticContact CG-NE2 3.9Å; W522-H677 AromaticContact CZ3-CD2 3.96Å; A675-H677 CarbonylContact O-C 3.6Å; A675-H677 PolarHBondContact O-N 2.83Å; H677-T679 VanDerWaalsContact C-N 3.28Å; H677-T679 PolarHBondContact O-N 3.46Å; H677-L680 HydrophobicContact CB-CB 4.18Å; H677-L680 HydrophobicContact CB-CD1 3.9Å; H677-L680 HydrophobicContact CB-CG 4.19Å; H677-L680 PolarHBondContact O-N 3.4Å; H677-L680 VanDerWaalsContact O-N 3.08Å; H677-V681 PolarHBondContact O-N 3.26Å; H677-E708 IonicContact CE1-OE1 2.7Å; H677-E708 IonicContact CG-OE1 3.96Å; H677-E708 VanDerWaalsContact ND1-CD 3.35Å; H677-E708 WeakPolarHBondContact ND1-CG 2.98Å; H677-E708 IonicContact ND1-OE1 3.55Å; H677-E708 PolarHBondContact ND1-OE1 2.9Å |
| 678 | R | 83.2 | Confident | 82.5 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.3 | -41 | -177.2 | 179.5 | 178 | 168.4 | 171 | 1 | 113.2 | A675 L680 V681 E682 | A675-R678 PolarHBondContact O-N 3.07Å; A675-R678 VanDerWaalsContact O-N 3.08Å; R678-L680 VanDerWaalsContact C-N 3.27Å; R678-L680 PolarHBondContact O-N 3.36Å; R678-V681 PolarHBondContact O-N 3.27Å; R678-V681 VanDerWaalsContact O-N 3.16Å; R678-E682 HydrophobicContact CG-CG 4.44Å; R678-E682 IonicContact CZ-OE1 3.74Å; R678-E682 IonicContact NE-OE1 3.79Å; R678-E682 PolarHBondContact NE-OE1 3.4Å; R678-E682 IonicContact NH2-OE1 3.49Å; R678-E682 PolarHBondContact NH2-OE1 3.05Å; R678-E682 WeakPolarHBondContact O-CG 3.38Å; R678-E682 PolarHBondContact O-N 3.01Å |
| 679 | T | 86.6 | Confident | 82.6 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.5 | -43.1 | 175.9 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | H677 L683 E708 | H677-T679 VanDerWaalsContact C-N 3.28Å; H677-T679 PolarHBondContact O-N 3.46Å; T679-L683 WeakPolarHBondContact O-CB 3.43Å; T679-L683 PolarHBondContact O-N 3.4Å; T679-E708 PolarHBondContact OG1-OE2 3.02Å |
| 680 | L | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.6 | -34.1 | 179.6 | -65.5 | -178.2 | 0 | 0 | 0 | 112.5 | L526 M620 F624 H677 R678 L683 M684 A704 F705 E708 | L526-L680 HydrophobicContact CD2-CD1 3.23Å; M620-L680 HydrophobicContact CE-CB 3.73Å; M620-L680 WeakPolarHBondContact CE-O 2.92Å; F624-L680 HydrophobicContact CZ-CB 4.31Å; H677-L680 HydrophobicContact CB-CB 4.18Å; H677-L680 HydrophobicContact CB-CD1 3.9Å; H677-L680 HydrophobicContact CB-CG 4.19Å; H677-L680 PolarHBondContact O-N 3.4Å; H677-L680 VanDerWaalsContact O-N 3.08Å; R678-L680 VanDerWaalsContact C-N 3.27Å; R678-L680 PolarHBondContact O-N 3.36Å; L680-L683 HydrophobicContact CD2-CD2 4.37Å; L680-L683 WeakPolarHBondContact O-CB 3.24Å; L680-L683 PolarHBondContact O-N 2.74Å; L680-M684 WeakPolarHBondContact O-CB 3.4Å; L680-M684 PolarHBondContact O-N 2.96Å; L680-A704 HydrophobicContact CD2-CB 4.39Å; L680-F705 HydrophobicContact CD1-CD1 4.05Å; L680-F705 HydrophobicContact CD1-CE1 3.86Å; L680-F705 HydrophobicContact CD2-CD1 4.02Å; L680-F705 HydrophobicContact CD2-CE1 4.03Å; L680-F705 HydrophobicContact CD2-CG 4.32Å; L680-F705 HydrophobicContact CD2-CZ 4.32Å; L680-E708 HydrophobicContact CD1-CB 4.28Å; L680-E708 HydrophobicContact CD1-CG 3.98Å; L680-E708 HydrophobicContact CG-CG 4.47Å |
| 681 | V | 89.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 173.2 | 178 | 0 | 0 | 0 | 0 | 111.2 | F624 A670 A675 H677 R678 L683 M684 I685 | F624-V681 HydrophobicContact CD2-CG2 4.43Å; F624-V681 HydrophobicContact CE2-CG2 4.11Å; A670-V681 HydrophobicContact CB-CG1 4.16Å; A675-V681 HydrophobicContact CB-CB 4.25Å; A675-V681 HydrophobicContact CB-CG2 3.24Å; H677-V681 PolarHBondContact O-N 3.26Å; R678-V681 PolarHBondContact O-N 3.27Å; R678-V681 VanDerWaalsContact O-N 3.16Å; V681-L683 VanDerWaalsContact C-N 3.29Å; V681-L683 PolarHBondContact O-N 3.4Å; V681-M684 HydrophobicContact CG1-CE 4.16Å; V681-M684 WeakPolarHBondContact O-CB 3.4Å; V681-M684 PolarHBondContact O-N 3.37Å; V681-I685 HydrophobicContact CG1-CD1 4.1Å; V681-I685 WeakPolarHBondContact O-CG1 3.48Å; V681-I685 PolarHBondContact O-N 3.33Å |
| 682 | E | 90.7 | Very high | 83.2 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 174 | -71.8 | 178 | -174.4 | 0 | 0 | 111.4 | R678 I685 R686 | R678-E682 HydrophobicContact CG-CG 4.44Å; R678-E682 IonicContact CZ-OE1 3.74Å; R678-E682 IonicContact NE-OE1 3.79Å; R678-E682 PolarHBondContact NE-OE1 3.4Å; R678-E682 IonicContact NH2-OE1 3.49Å; R678-E682 PolarHBondContact NH2-OE1 3.05Å; R678-E682 WeakPolarHBondContact O-CG 3.38Å; R678-E682 PolarHBondContact O-N 3.01Å; E682-I685 PolarHBondContact O-N 3.25Å; E682-R686 WeakPolarHBondContact O-CG 3.42Å; E682-R686 PolarHBondContact O-N 2.95Å |
| 683 | L | 91.9 | Very high | 84.2 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 172.7 | -177.1 | 69.3 | 0 | 0 | 0 | 112.2 | T679 L680 V681 I685 R686 C687 P696 I701 A704 | T679-L683 WeakPolarHBondContact O-CB 3.43Å; T679-L683 PolarHBondContact O-N 3.4Å; L680-L683 HydrophobicContact CD2-CD2 4.37Å; L680-L683 WeakPolarHBondContact O-CB 3.24Å; L680-L683 PolarHBondContact O-N 2.74Å; V681-L683 VanDerWaalsContact C-N 3.29Å; V681-L683 PolarHBondContact O-N 3.4Å; L683-I685 VanDerWaalsContact C-N 3.32Å; L683-I685 PolarHBondContact O-N 3.39Å; L683-R686 PolarHBondContact O-N 2.83Å; L683-C687 PolarHBondContact O-N 3.45Å; L683-C687 PolarHBondContact O-SG 2.94Å; L683-P696 HydrophobicContact CD1-CB 4.21Å; L683-P696 HydrophobicContact CD1-CG 3.94Å; L683-I701 HydrophobicContact CD1-CG1 4.17Å; L683-I701 HydrophobicContact CD2-CB 4.37Å; L683-I701 HydrophobicContact CD2-CG1 4.2Å; L683-I701 HydrophobicContact CD2-CG2 4.21Å; L683-I701 HydrophobicContact CG-CG1 4.39Å; L683-A704 HydrophobicContact CD2-CB 3.67Å |
| 684 | M | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 175.9 | -174.9 | 179.8 | 63.4 | 0 | 0 | 111.2 | M620 Q621 F624 Y625 A670 L680 V681 C687 W688 | M620-M684 HydrophobicContact CB-CG 4.41Å; M620-M684 HydrophobicContact CB-SD 4.28Å; M620-M684 HydrophobicContact CE-CB 4.07Å; M620-M684 HydrophobicContact CG-CB 4.47Å; M620-M684 HydrophobicContact CG-CG 4.2Å; M620-M684 HydrophobicContact CG-SD 3.96Å; M620-M684 HydrophobicContact SD-CB 3.75Å; M620-M684 HydrophobicContact SD-CG 4.01Å; M620-M684 HydrophobicContact SD-SD 4.47Å; Q621-M684 HydrophobicContact CB-SD 3.81Å; Q621-M684 HydrophobicContact CG-SD 4.22Å; F624-M684 HydrophobicContact CD2-CE 4.37Å; F624-M684 HydrophobicContact CD2-SD 4.1Å; F624-M684 HydrophobicContact CE2-SD 4.44Å; Y625-M684 HydrophobicContact CE2-CE 4.4Å; A670-M684 HydrophobicContact CB-CE 3.85Å; L680-M684 WeakPolarHBondContact O-CB 3.4Å; L680-M684 PolarHBondContact O-N 2.96Å; V681-M684 HydrophobicContact CG1-CE 4.16Å; V681-M684 WeakPolarHBondContact O-CB 3.4Å; V681-M684 PolarHBondContact O-N 3.37Å; M684-C687 WeakPolarHBondContact O-CB 3.35Å; M684-C687 PolarHBondContact O-N 3.22Å; M684-W688 HydrophobicContact CE-CH2 3.79Å; M684-W688 HydrophobicContact CE-CZ2 4.08Å; M684-W688 HydrophobicContact CG-CH2 4.26Å; M684-W688 HydrophobicContact CG-CZ2 3.69Å; M684-W688 HydrophobicContact SD-CH2 4.29Å; M684-W688 HydrophobicContact SD-CZ2 3.96Å |
| 685 | I | 92.9 | Very high | 87.9 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 177.1 | -65.2 | 168 | 0 | 0 | 0 | 111.2 | A670 K672 V681 E682 L683 C687 W688 | A670-I685 HydrophobicContact CB-CD1 3.81Å; A670-I685 HydrophobicContact CB-CG1 3.81Å; K672-I685 HydrophobicContact CD-CD1 4.41Å; K672-I685 HydrophobicContact CG-CD1 3.98Å; V681-I685 HydrophobicContact CG1-CD1 4.1Å; V681-I685 WeakPolarHBondContact O-CG1 3.48Å; V681-I685 PolarHBondContact O-N 3.33Å; E682-I685 PolarHBondContact O-N 3.25Å; L683-I685 VanDerWaalsContact C-N 3.32Å; L683-I685 PolarHBondContact O-N 3.39Å; I685-C687 PolarHBondContact O-N 2.95Å; I685-W688 HydrophobicContact CB-CE3 4.42Å; I685-W688 HydrophobicContact CG1-CE3 4.15Å; I685-W688 HydrophobicContact CG1-CZ3 3.97Å; I685-W688 WeakPolarHBondContact O-CB 3.37Å; I685-W688 PolarHBondContact O-N 3.33Å |
| 686 | R | 93.8 | Very high | 89.6 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -28.1 | 175.2 | -74.6 | 179.1 | -177.1 | -175.2 | 3.1 | 113 | E682 L683 W688 L689 | E682-R686 WeakPolarHBondContact O-CG 3.42Å; E682-R686 PolarHBondContact O-N 2.95Å; L683-R686 PolarHBondContact O-N 2.83Å; R686-W688 PolarHBondContact O-N 3.19Å; R686-L689 WeakPolarHBondContact O-CD1 3.29Å; R686-L689 VanDerWaalsContact O-CG 3.26Å; R686-L689 WeakPolarHBondContact O-CG 3.15Å; R686-L689 PolarHBondContact O-N 3.48Å |
| 687 | C | 94.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.1 | 173.3 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | V613 L683 M684 I685 R695 | V613-C687 HydrophobicContact CG1-CB 3.85Å; L683-C687 PolarHBondContact O-N 3.45Å; L683-C687 PolarHBondContact O-SG 2.94Å; M684-C687 WeakPolarHBondContact O-CB 3.35Å; M684-C687 PolarHBondContact O-N 3.22Å; I685-C687 PolarHBondContact O-N 2.95Å; C687-R695 VanDerWaalsContact O-CD 3.31Å; C687-R695 WeakPolarHBondContact O-CD 3.44Å |
| 688 | W | 93.9 | Very high | 91.5 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.045 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.3 | 177.7 | -61.4 | -22.5 | 0 | 0 | 0 | 114.5 | Y614 S617 Q621 R667 P668 A670 M684 I685 R686 E690 | Y614-W688 HydrophobicContact CE2-CB 4.37Å; Y614-W688 AromaticContact CE2-CD1 3.91Å; Y614-W688 HydrophobicContact CE2-CG 4.41Å; S617-W688 PolarHBondContact OG-NE1 3.02Å; Q621-W688 HydrophobicContact CB-CZ2 4.17Å; Q621-W688 HydrophobicContact CG-CH2 4.25Å; Q621-W688 HydrophobicContact CG-CZ2 4.05Å; R667-W688 HydrophobicContact CB-CE3 4.15Å; R667-W688 HydrophobicContact CG-CB 4.37Å; R667-W688 VanDerWaalsContact CZ-O 3.28Å; R667-W688 PolarHBondContact NE-O 3.35Å; R667-W688 PolarHBondContact NH2-O 2.72Å; P668-W688 HydrophobicContact CB-CH2 3.74Å; P668-W688 HydrophobicContact CB-CZ2 3.83Å; P668-W688 HydrophobicContact CB-CZ3 4.34Å; P668-W688 HydrophobicContact CG-CD2 4.41Å; P668-W688 HydrophobicContact CG-CH2 4.06Å; P668-W688 HydrophobicContact CG-CZ2 3.74Å; P668-W688 VanDerWaalsContact O-CZ3 3.29Å; P668-W688 WeakPolarHBondContact O-CZ3 3.21Å; A670-W688 HydrophobicContact CB-CH2 3.85Å; A670-W688 HydrophobicContact CB-CZ3 3.75Å; M684-W688 HydrophobicContact CE-CH2 3.79Å; M684-W688 HydrophobicContact CE-CZ2 4.08Å; M684-W688 HydrophobicContact CG-CH2 4.26Å; M684-W688 HydrophobicContact CG-CZ2 3.69Å; M684-W688 HydrophobicContact SD-CH2 4.29Å; M684-W688 HydrophobicContact SD-CZ2 3.96Å; I685-W688 HydrophobicContact CB-CE3 4.42Å; I685-W688 HydrophobicContact CG1-CE3 4.15Å; I685-W688 HydrophobicContact CG1-CZ3 3.97Å; I685-W688 WeakPolarHBondContact O-CB 3.37Å; I685-W688 PolarHBondContact O-N 3.33Å; R686-W688 PolarHBondContact O-N 3.19Å; W688-E690 PolarHBondContact O-N 3.49Å |
| 689 | L | 92.9 | Very high | 91.8 | Very high | 61 Ų | 61 | 47 Ų | 47 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | trans | -55.9 | 140.5 | -177.6 | -71.5 | 171.4 | 0 | 0 | 0 | 111.4 | R686 I691 E694 R695 | R686-L689 WeakPolarHBondContact O-CD1 3.29Å; R686-L689 VanDerWaalsContact O-CG 3.26Å; R686-L689 WeakPolarHBondContact O-CG 3.15Å; R686-L689 PolarHBondContact O-N 3.48Å; L689-I691 VanDerWaalsContact C-N 3.28Å; L689-I691 PolarHBondContact O-N 2.98Å; L689-E694 HydrophobicContact CB-CB 4.49Å; L689-E694 HydrophobicContact CD1-CB 3.78Å; L689-R695 HydrophobicContact CB-CG 4.21Å; L689-R695 PolarHBondContact O-NE 3.01Å; L689-R695 PolarHBondContact O-NH2 3.31Å | ||
| 690 | E | 89.1 | Confident | 92.1 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -65.4 | -35.1 | -176.5 | -172.2 | 69.7 | -176.6 | 0 | 0 | 111.6 | R600 R667 W688 P692 | R600-E690 IonicContact CZ-OE1 3.55Å; R600-E690 IonicContact NH1-OE1 3.46Å; R600-E690 PolarHBondContact NH1-OE1 2.95Å; R600-E690 IonicContact NH2-OE1 2.7Å; R600-E690 PolarHBondContact NH2-OE1 2.92Å; R600-E690 IonicContact NH2-OE2 3.3Å; R667-E690 IonicContact CZ-OE2 3.28Å; R667-E690 IonicContact NH1-OE2 3.43Å; R667-E690 IonicContact NH2-OE2 2.75Å; R667-E690 PolarHBondContact NH2-OE2 3.49Å; W688-E690 PolarHBondContact O-N 3.49Å; E690-P692 WeakPolarHBondContact O-CD 3.02Å |
| 691 | I | 89.4 | Confident | 92.3 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -86.5 | 116.2 | 176.7 | -61.3 | 170.3 | 0 | 0 | 0 | 108.4 | L689 S693 E694 | L689-I691 VanDerWaalsContact C-N 3.28Å; L689-I691 PolarHBondContact O-N 2.98Å; I691-S693 VanDerWaalsContact C-N 3.31Å; I691-S693 WeakPolarHBondContact CG2-OG 3.24Å; I691-S693 PolarHBondContact O-N 3.28Å; I691-E694 HydrophobicContact CB-CB 4.45Å; I691-E694 HydrophobicContact CB-CG 4Å; I691-E694 WeakPolarHBondContact CD1-OE1 3.5Å; I691-E694 HydrophobicContact CG2-CG 3.9Å; I691-E694 PolarHBondContact O-N 3.19Å |
| 692 | P | 90.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 50 Ų | 50 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.5 | -34.8 | -175.9 | -25.2 | 35.2 | 0 | 0 | 0 | 114 | E597 K610 E690 E694 R695 | E597-P692 HydrophobicContact CG-CG 4Å; K610-P692 HydrophobicContact CB-CB 3.73Å; K610-P692 WeakPolarHBondContact CD-O 3.12Å; K610-P692 HydrophobicContact CG-CB 4.3Å; K610-P692 WeakPolarHBondContact CG-O 3.34Å; E690-P692 WeakPolarHBondContact O-CD 3.02Å; P692-E694 VanDerWaalsContact C-N 3.26Å; P692-E694 PolarHBondContact O-N 2.87Å; P692-R695 WeakPolarHBondContact O-CB 3.12Å; P692-R695 PolarHBondContact O-N 3.45Å |
| 693 | S | 90.7 | Very high | 92.1 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 67% | 0.671 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -67 | -24.2 | -179.7 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | I691 R695 | I691-S693 VanDerWaalsContact C-N 3.31Å; I691-S693 WeakPolarHBondContact CG2-OG 3.24Å; I691-S693 PolarHBondContact O-N 3.28Å; S693-R695 VanDerWaalsContact C-N 3.32Å |
| 694 | E | 92.7 | Very high | 91.9 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -81.1 | -14 | 177.5 | -63.6 | -178.6 | 171.8 | 0 | 0 | 112.8 | L689 I691 P692 | L689-E694 HydrophobicContact CB-CB 4.49Å; L689-E694 HydrophobicContact CD1-CB 3.78Å; I691-E694 HydrophobicContact CB-CB 4.45Å; I691-E694 HydrophobicContact CB-CG 4Å; I691-E694 WeakPolarHBondContact CD1-OE1 3.5Å; I691-E694 HydrophobicContact CG2-CG 3.9Å; I691-E694 PolarHBondContact O-N 3.19Å; P692-E694 VanDerWaalsContact C-N 3.26Å; P692-E694 PolarHBondContact O-N 2.87Å |
| 695 | R | 95.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -68.6 | 141.3 | 177.5 | -60.9 | 178.2 | -168.3 | 152.6 | 8.4 | 110.1 | E597 K610 V613 C687 L689 P692 S693 | E597-R695 VanDerWaalsContact CD-NH2 3.3Å; E597-R695 IonicContact OE1-CZ 2.69Å; E597-R695 IonicContact OE1-NH1 3.51Å; E597-R695 PolarHBondContact OE1-NH1 3.49Å; E597-R695 IonicContact OE1-NH2 3.77Å; E597-R695 PolarHBondContact OE1-NH2 3.12Å; E597-R695 IonicContact OE2-CZ 3.58Å; E597-R695 IonicContact OE2-NH1 3.72Å; E597-R695 IonicContact OE2-NH2 3.42Å; E597-R695 PolarHBondContact OE2-NH2 2.75Å; K610-R695 HydrophobicContact CD-CB 4.42Å; K610-R695 PolarHBondContact NZ-O 2.94Å; K610-R695 PolarHBondContact O-NH1 2.68Å; V613-R695 HydrophobicContact CG1-CB 4.11Å; C687-R695 VanDerWaalsContact O-CD 3.31Å; C687-R695 WeakPolarHBondContact O-CD 3.44Å; L689-R695 HydrophobicContact CB-CG 4.21Å; L689-R695 PolarHBondContact O-NE 3.01Å; L689-R695 PolarHBondContact O-NH2 3.31Å; P692-R695 WeakPolarHBondContact O-CB 3.12Å; P692-R695 PolarHBondContact O-N 3.45Å; S693-R695 VanDerWaalsContact C-N 3.32Å |
| 696 | P | 94.7 | Very high | 91 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.7 | 179.6 | 27.8 | -35.4 | 0 | 0 | 0 | 111.9 | V613 L683 I701 | V613-P696 HydrophobicContact CG1-CG 4.39Å; L683-P696 HydrophobicContact CD1-CB 4.21Å; L683-P696 HydrophobicContact CD1-CG 3.94Å; P696-I701 HydrophobicContact CB-CG1 4.25Å; P696-I701 HydrophobicContact CG-CD1 4.13Å; P696-I701 HydrophobicContact CG-CG1 4.09Å |
| 697 | T | 93.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 156.1 | 169.6 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | Q699 R700 I701 | T697-Q699 PolarHBondContact O-N 3.46Å; T697-R700 PolarHBondContact O-N 3.04Å; T697-R700 VanDerWaalsContact O-N 3.12Å; T697-I701 WeakPolarHBondContact O-CG1 3.1Å; T697-I701 PolarHBondContact O-N 2.91Å |
| 698 | F | 93.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -29.2 | 175.1 | -85.9 | -79.4 | 0 | 0 | 0 | 113.2 | M536 E537 H540 D612 V613 F616 I701 A702 | M536-F698 HydrophobicContact CB-CD1 3.44Å; M536-F698 VanDerWaalsContact CB-CD1 3.44Å; M536-F698 HydrophobicContact CB-CD2 3.98Å; M536-F698 HydrophobicContact CB-CE1 3.32Å; M536-F698 HydrophobicContact CB-CE2 3.85Å; M536-F698 HydrophobicContact CB-CG 3.76Å; M536-F698 HydrophobicContact CB-CZ 3.52Å; M536-F698 HydrophobicContact CE-CE2 4.02Å; M536-F698 HydrophobicContact CE-CZ 4.18Å; M536-F698 HydrophobicContact CG-CD1 4.37Å; M536-F698 HydrophobicContact CG-CE1 3.75Å; M536-F698 HydrophobicContact CG-CE2 4.34Å; M536-F698 HydrophobicContact CG-CZ 3.72Å; E537-F698 HydrophobicContact CB-CB 3.94Å; H540-F698 AromaticContact CE1-CD2 3.3Å; H540-F698 WeakPolarHBondContact CE1-CD2 3.47Å; H540-F698 AromaticContact CE1-CE2 3.31Å; H540-F698 WeakPolarHBondContact CE1-CE2 3.37Å; H540-F698 AromaticContact ND1-CD2 3.29Å; H540-F698 VanDerWaalsContact ND1-CD2 3.29Å; H540-F698 WeakPolarHBondContact ND1-CD2 3.34Å; H540-F698 AromaticContact ND1-CE2 3.83Å; D612-F698 HydrophobicContact CB-CE2 4.1Å; D612-F698 HydrophobicContact CB-CZ 4.49Å; V613-F698 HydrophobicContact CB-CE2 4.34Å; V613-F698 HydrophobicContact CG2-CD2 3.8Å; V613-F698 HydrophobicContact CG2-CE2 3.53Å; V613-F698 HydrophobicContact CG2-CZ 4.26Å; F616-F698 HydrophobicContact CB-CE1 3.84Å; F616-F698 HydrophobicContact CB-CZ 3.69Å; F616-F698 HydrophobicContact CD1-CE1 4.08Å; F616-F698 AromaticContact CD2-CE1 3.82Å; F616-F698 HydrophobicContact CD2-CE1 3.82Å; F616-F698 HydrophobicContact CD2-CZ 4.46Å; F616-F698 HydrophobicContact CE2-CE1 4.41Å; F616-F698 AromaticContact CG-CE1 3.63Å; F616-F698 HydrophobicContact CG-CE1 3.63Å; F616-F698 HydrophobicContact CG-CZ 4.03Å; F698-I701 HydrophobicContact CD1-CD1 4.15Å; F698-I701 HydrophobicContact CE1-CD1 4.42Å; F698-I701 HydrophobicContact CG-CD1 4.44Å; F698-I701 PolarHBondContact O-N 2.88Å; F698-A702 WeakPolarHBondContact O-CB 3.49Å; F698-A702 PolarHBondContact O-N 3.18Å |
| 699 | Q | 91 | Very high | 88.4 | Confident | 103 Ų | 103 | 52.9 Ų | 52.9 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 170.4 | -175.4 | -176.5 | -3.2 | 0 | 0 | 111.5 | E537 T697 I701 A702 E703 | E537-Q699 WeakPolarHBondContact OE1-CA 3.36Å; T697-Q699 PolarHBondContact O-N 3.46Å; Q699-I701 VanDerWaalsContact C-N 3.28Å; Q699-I701 PolarHBondContact O-N 2.83Å; Q699-A702 PolarHBondContact O-N 2.85Å; Q699-E703 PolarHBondContact NE2-OE1 2.95Å; Q699-E703 WeakPolarHBondContact O-CB 3.46Å; Q699-E703 WeakPolarHBondContact O-CG 3.43Å; Q699-E703 PolarHBondContact O-N 3.38Å |
| 700 | R | 92.3 | Very high | 86.8 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | 177.9 | -170.6 | 173.3 | -175.6 | 168.3 | 5.4 | 112.4 | T697 A704 | T697-R700 PolarHBondContact O-N 3.04Å; T697-R700 VanDerWaalsContact O-N 3.12Å; R700-A704 WeakPolarHBondContact O-CB 3.48Å; R700-A704 PolarHBondContact O-N 3.27Å; R700-A704 VanDerWaalsContact O-N 3.08Å |
| 701 | I | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 175.4 | -67.4 | 162 | 0 | 0 | 0 | 110.4 | A533 V613 F616 L683 P696 T697 F698 Q699 E703 A704 F705 | A533-I701 HydrophobicContact CB-CG2 3.98Å; V613-I701 HydrophobicContact CG1-CD1 3.98Å; F616-I701 HydrophobicContact CD1-CG2 4.44Å; F616-I701 HydrophobicContact CE1-CG2 3.63Å; F616-I701 HydrophobicContact CZ-CG2 4.01Å; L683-I701 HydrophobicContact CD1-CG1 4.17Å; L683-I701 HydrophobicContact CD2-CB 4.37Å; L683-I701 HydrophobicContact CD2-CG1 4.2Å; L683-I701 HydrophobicContact CD2-CG2 4.21Å; L683-I701 HydrophobicContact CG-CG1 4.39Å; P696-I701 HydrophobicContact CB-CG1 4.25Å; P696-I701 HydrophobicContact CG-CD1 4.13Å; P696-I701 HydrophobicContact CG-CG1 4.09Å; T697-I701 WeakPolarHBondContact O-CG1 3.1Å; T697-I701 PolarHBondContact O-N 2.91Å; F698-I701 HydrophobicContact CD1-CD1 4.15Å; F698-I701 HydrophobicContact CE1-CD1 4.42Å; F698-I701 HydrophobicContact CG-CD1 4.44Å; F698-I701 PolarHBondContact O-N 2.88Å; Q699-I701 VanDerWaalsContact C-N 3.28Å; Q699-I701 PolarHBondContact O-N 2.83Å; I701-E703 PolarHBondContact O-N 3.39Å; I701-A704 PolarHBondContact O-N 3.24Å; I701-F705 HydrophobicContact CG2-CD2 3.79Å; I701-F705 HydrophobicContact CG2-CE2 3.67Å; I701-F705 VanDerWaalsContact O-CD2 3.24Å; I701-F705 WeakPolarHBondContact O-CD2 3.23Å; I701-F705 PolarHBondContact O-N 3.04Å |
| 702 | A | 88.2 | Confident | 83 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | A533 F698 Q699 A704 F705 A706 | A533-A702 HydrophobicContact CB-CB 4.34Å; F698-A702 WeakPolarHBondContact O-CB 3.49Å; F698-A702 PolarHBondContact O-N 3.18Å; Q699-A702 PolarHBondContact O-N 2.85Å; A702-A704 VanDerWaalsContact C-N 3.35Å; A702-A704 PolarHBondContact O-N 3.08Å; A702-F705 PolarHBondContact O-N 3.24Å; A702-A706 VanDerWaalsContact O-CB 3.28Å; A702-A706 WeakPolarHBondContact O-CB 3.31Å; A702-A706 PolarHBondContact O-N 2.92Å |
| 703 | E | 88.6 | Confident | 80.7 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 173.3 | -74.5 | 169.7 | -173.5 | 0 | 0 | 112.4 | Q699 I701 A706 A707 | Q699-E703 PolarHBondContact NE2-OE1 2.95Å; Q699-E703 WeakPolarHBondContact O-CB 3.46Å; Q699-E703 WeakPolarHBondContact O-CG 3.43Å; Q699-E703 PolarHBondContact O-N 3.38Å; I701-E703 PolarHBondContact O-N 3.39Å; E703-A706 PolarHBondContact O-N 3.03Å; E703-A707 WeakPolarHBondContact O-CB 3.45Å; E703-A707 PolarHBondContact O-N 3.46Å |
| 704 | A | 87.8 | Confident | 78.7 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L680 L683 R700 I701 A702 A707 E708 | L680-A704 HydrophobicContact CD2-CB 4.39Å; L683-A704 HydrophobicContact CD2-CB 3.67Å; R700-A704 WeakPolarHBondContact O-CB 3.48Å; R700-A704 PolarHBondContact O-N 3.27Å; R700-A704 VanDerWaalsContact O-N 3.08Å; I701-A704 PolarHBondContact O-N 3.24Å; A702-A704 VanDerWaalsContact C-N 3.35Å; A702-A704 PolarHBondContact O-N 3.08Å; A704-A707 PolarHBondContact O-N 2.74Å; A704-E708 PolarHBondContact O-N 3.08Å |
| 705 | F | 85.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 172.3 | -79.3 | -74.2 | 0 | 0 | 0 | 111.6 | L526 L529 H530 A533 F616 M620 L680 I701 A702 A707 E708 V709 | L526-F705 HydrophobicContact CD2-CD1 4.14Å; L526-F705 HydrophobicContact CD2-CE1 4.08Å; L529-F705 HydrophobicContact CB-CD1 4.31Å; L529-F705 HydrophobicContact CB-CE1 3.58Å; L529-F705 HydrophobicContact CB-CE2 4.35Å; L529-F705 HydrophobicContact CB-CZ 3.61Å; L529-F705 HydrophobicContact CD1-CE1 4.08Å; L529-F705 HydrophobicContact CD1-CZ 4.09Å; L529-F705 HydrophobicContact CG-CE1 4.46Å; L529-F705 HydrophobicContact CG-CZ 4.33Å; H530-F705 HydrophobicContact CB-CB 4.2Å; A533-F705 HydrophobicContact CB-CD2 4.22Å; F616-F705 HydrophobicContact CE1-CE2 4.05Å; F616-F705 AromaticContact CZ-CE2 3.77Å; F616-F705 HydrophobicContact CZ-CE2 3.77Å; F616-F705 HydrophobicContact CZ-CZ 4.29Å; M620-F705 HydrophobicContact CE-CE1 4.31Å; M620-F705 HydrophobicContact CE-CE2 4.48Å; M620-F705 HydrophobicContact CE-CZ 3.65Å; M620-F705 HydrophobicContact SD-CZ 4Å; L680-F705 HydrophobicContact CD1-CD1 4.05Å; L680-F705 HydrophobicContact CD1-CE1 3.86Å; L680-F705 HydrophobicContact CD2-CD1 4.02Å; L680-F705 HydrophobicContact CD2-CE1 4.03Å; L680-F705 HydrophobicContact CD2-CG 4.32Å; L680-F705 HydrophobicContact CD2-CZ 4.32Å; I701-F705 HydrophobicContact CG2-CD2 3.79Å; I701-F705 HydrophobicContact CG2-CE2 3.67Å; I701-F705 VanDerWaalsContact O-CD2 3.24Å; I701-F705 WeakPolarHBondContact O-CD2 3.23Å; I701-F705 PolarHBondContact O-N 3.04Å; A702-F705 PolarHBondContact O-N 3.24Å; F705-A707 VanDerWaalsContact C-N 3.35Å; F705-E708 PolarHBondContact O-N 3.24Å; F705-V709 WeakPolarHBondContact O-CB 3.39Å; F705-V709 WeakPolarHBondContact O-CG2 3.33Å; F705-V709 PolarHBondContact O-N 3.45Å |
| 706 | A | 80.8 | Confident | 74.1 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A702 E703 G710 | A702-A706 VanDerWaalsContact O-CB 3.28Å; A702-A706 WeakPolarHBondContact O-CB 3.31Å; A702-A706 PolarHBondContact O-N 2.92Å; E703-A706 PolarHBondContact O-N 3.03Å; A706-G710 VanDerWaalsContact O-CA 3.22Å; A706-G710 WeakPolarHBondContact O-CA 3.38Å; A706-G710 PolarHBondContact O-N 2.91Å |
| 707 | A | 81.4 | Confident | 71.9 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E703 A704 F705 | E703-A707 WeakPolarHBondContact O-CB 3.45Å; E703-A707 PolarHBondContact O-N 3.46Å; A704-A707 PolarHBondContact O-N 2.74Å; F705-A707 VanDerWaalsContact C-N 3.35Å |
| 708 | E | 76.2 | Confident | 69.6 | Low | 58 Ų | 58 | 71.6 Ų | 71.6 | 27% | 0.271 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.5 | -35.4 | 179.6 | -154.2 | 68.9 | -155.9 | 0 | 0 | 112.5 | L526 H677 T679 L680 A704 F705 | L526-E708 HydrophobicContact CD1-CG 4.36Å; H677-E708 IonicContact CE1-OE1 2.7Å; H677-E708 IonicContact CG-OE1 3.96Å; H677-E708 VanDerWaalsContact ND1-CD 3.35Å; H677-E708 WeakPolarHBondContact ND1-CG 2.98Å; H677-E708 IonicContact ND1-OE1 3.55Å; H677-E708 PolarHBondContact ND1-OE1 2.9Å; T679-E708 PolarHBondContact OG1-OE2 3.02Å; L680-E708 HydrophobicContact CD1-CB 4.28Å; L680-E708 HydrophobicContact CD1-CG 3.98Å; L680-E708 HydrophobicContact CG-CG 4.47Å; A704-E708 PolarHBondContact O-N 3.08Å; F705-E708 PolarHBondContact O-N 3.24Å |
| 709 | V | 70 | Confident | 67.4 | Low | 17 Ų | 17 | 73.8 Ų | 73.8 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -79.2 | -38.5 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L526 F705 G711 C712 L714 | L526-V709 HydrophobicContact CB-CG2 4.19Å; F705-V709 WeakPolarHBondContact O-CB 3.39Å; F705-V709 WeakPolarHBondContact O-CG2 3.33Å; F705-V709 PolarHBondContact O-N 3.45Å; V709-G711 PolarHBondContact O-N 2.9Å; V709-C712 CarbonylContact O-C 3.53Å; V709-C712 PolarHBondContact O-N 3.32Å; V709-L714 HydrophobicContact CG1-CB 4.12Å |
| 710 | G | 58.9 | Low | 65.5 | Low | 62 Ų | 62 | 69.8 Ų | 69.8 | 64% | 0.639 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.1 | -17 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | A706 C712 | A706-G710 VanDerWaalsContact O-CA 3.22Å; A706-G710 WeakPolarHBondContact O-CA 3.38Å; A706-G710 PolarHBondContact O-N 2.91Å; G710-C712 PolarHBondContact O-N 2.94Å |
| 711 | G | 53.3 | Low | 63.7 | Low | 70 Ų | 70 | 66.5 Ų | 66.5 | 72% | 0.722 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8 | 166 | 0 | 0 | 0 | 0 | 0 | 113.9 | V709 | V709-G711 PolarHBondContact O-N 2.9Š|
| 712 | C | 45.7 | Very low | 61.6 | Low | 66 Ų | 66 | 73.6 Ų | 73.6 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 143 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | V709 G710 L714 | V709-C712 CarbonylContact O-C 3.53Å; V709-C712 PolarHBondContact O-N 3.32Å; G710-C712 PolarHBondContact O-N 2.94Å; C712-L714 HydrophobicContact CB-CB 4.04Å; C712-L714 HydrophobicContact CB-CD1 3.35Å; C712-L714 HydrophobicContact CB-CG 3.35Å; C712-L714 PolarHBondContact O-N 3.17Å |
| 713 | N | 41.6 | Very low | 59.9 | Low | 152 Ų | 152 | 75.4 Ų | 75.4 | 81% | 0.813 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 46.3 | 167.6 | -80.8 | -27.9 | 0 | 0 | 0 | 112.1 | R715 N717 | N713-R715 PolarHBondContact O-N 3.15Å; N713-N717 PolarHBondContact O-OD1 3.45Å |
| 714 | L | 49 | Very low | 58.3 | Low | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.8 | -169.5 | -92.1 | 167.2 | 0 | 0 | 0 | 114.4 | P523 V709 C712 W716 N720 | P523-L714 HydrophobicContact CB-CD2 3.66Å; P523-L714 HydrophobicContact CG-CD2 4.2Å; V709-L714 HydrophobicContact CG1-CB 4.12Å; C712-L714 HydrophobicContact CB-CB 4.04Å; C712-L714 HydrophobicContact CB-CD1 3.35Å; C712-L714 HydrophobicContact CB-CG 3.35Å; C712-L714 PolarHBondContact O-N 3.17Å; L714-W716 PolarHBondContact O-N 2.83Å; L714-N720 VanDerWaalsContact CD2-ND2 3.25Å; L714-N720 WeakPolarHBondContact CD2-ND2 3.34Å; L714-N720 PolarHBondContact O-ND2 3.08Å |
| 715 | R | 49.2 | Very low | 56.9 | Low | 183 Ų | 183 | 74.9 Ų | 74.9 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.5 | 179.1 | -151.5 | 172.7 | -175.5 | 163.3 | 3.4 | 111 | N713 | N713-R715 PolarHBondContact O-N 3.15Š|
| 716 | W | 43.6 | Very low | 55.6 | Low | 155 Ų | 155 | 77.3 Ų | 77.3 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -147.1 | 29.3 | -178.3 | -62.9 | 107.1 | 0 | 0 | 0 | 116.1 | L714 I718 I721 | L714-W716 PolarHBondContact O-N 2.83Å; W716-I718 PolarHBondContact O-N 3.3Å; W716-I718 VanDerWaalsContact O-N 3.07Å; W716-I721 HydrophobicContact CE3-CD1 3.86Å; W716-I721 HydrophobicContact CE3-CG1 4.46Å; W716-I721 HydrophobicContact CZ3-CD1 4.35Å |
| 717 | N | 48.3 | Very low | 54.5 | Low | 75 Ų | 75 | 75.6 Ų | 75.6 | 40% | 0.401 | 42% | 0.419 | S | S | . | . | trans | -61.9 | 120.4 | 170.8 | -84.6 | -12.4 | 0 | 0 | 0 | 109.3 | N713 G719 N720 | N713-N717 PolarHBondContact O-OD1 3.45Å; N717-G719 PolarHBondContact O-N 3.39Å; N717-N720 WeakPolarHBondContact O-CB 3.36Å; N717-N720 PolarHBondContact O-N 3.4Å | ||
| 718 | I | 43.8 | Very low | 53.4 | Low | 144 Ų | 144 | 74.3 Ų | 74.3 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -47.4 | -32.9 | -177.9 | -64.7 | 162.4 | 0 | 0 | 0 | 111.8 | W716 N720 I721 Y722 | W716-I718 PolarHBondContact O-N 3.3Å; W716-I718 VanDerWaalsContact O-N 3.07Å; I718-N720 PolarHBondContact O-N 2.92Å; I718-I721 PolarHBondContact O-N 3.31Å; I718-Y722 PolarHBondContact O-N 2.89Å |
| 719 | G | 48.3 | Very low | 52.7 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N717 Y722 H723 | N717-G719 PolarHBondContact O-N 3.39Å; G719-Y722 PolarHBondContact O-N 2.93Å; G719-H723 PolarHBondContact O-N 2.89Å |
| 720 | N | 50.1 | Low | 52.1 | Low | 19 Ų | 19 | 80.2 Ų | 80.2 | 10% | 0.102 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 176 | -76.2 | -14.3 | 0 | 0 | 0 | 111.5 | P523 L714 N717 I718 H723 R724 | P523-N720 VanDerWaalsContact CB-OD1 3.23Å; P523-N720 WeakPolarHBondContact CB-OD1 3.27Å; L714-N720 VanDerWaalsContact CD2-ND2 3.25Å; L714-N720 WeakPolarHBondContact CD2-ND2 3.34Å; L714-N720 PolarHBondContact O-ND2 3.08Å; N717-N720 WeakPolarHBondContact O-CB 3.36Å; N717-N720 PolarHBondContact O-N 3.4Å; I718-N720 PolarHBondContact O-N 2.92Å; N720-H723 PolarHBondContact O-N 2.96Å; N720-R724 VanDerWaalsContact O-CB 3.3Å; N720-R724 WeakPolarHBondContact O-CB 3.35Å; N720-R724 VanDerWaalsContact O-CD 3.28Å; N720-R724 WeakPolarHBondContact O-CD 3.24Å; N720-R724 WeakPolarHBondContact O-CG 3.19Å; N720-R724 PolarHBondContact O-N 2.97Å |
| 721 | I | 55.1 | Low | 52.1 | Low | 76 Ų | 76 | 78.8 Ų | 78.8 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.7 | -55.5 | 173.4 | 0 | 0 | 0 | 110 | W716 I718 R724 L725 | W716-I721 HydrophobicContact CE3-CD1 3.86Å; W716-I721 HydrophobicContact CE3-CG1 4.46Å; W716-I721 HydrophobicContact CZ3-CD1 4.35Å; I718-I721 PolarHBondContact O-N 3.31Å; I721-R724 WeakPolarHBondContact O-CB 3.4Å; I721-R724 PolarHBondContact O-N 3.24Å; I721-L725 WeakPolarHBondContact O-CB 3.43Å; I721-L725 PolarHBondContact O-N 3.13Å |
| 722 | Y | 49.3 | Very low | 52.6 | Low | 149 Ų | 149 | 80.4 Ų | 80.4 | 58% | 0.584 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -47.1 | 175.4 | -178.9 | -98.1 | 0 | 0 | 0 | 111.6 | I718 G719 R724 L725 L726 | I718-Y722 PolarHBondContact O-N 2.89Å; G719-Y722 PolarHBondContact O-N 2.93Å; Y722-R724 VanDerWaalsContact C-N 3.31Å; Y722-R724 PolarHBondContact O-N 2.88Å; Y722-L725 PolarHBondContact O-N 3.26Å; Y722-L726 WeakPolarHBondContact O-CB 3.12Å; Y722-L726 PolarHBondContact O-N 3.42Å |
| 723 | H | 52.2 | Low | 53.5 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.9 | -130.5 | 66.7 | 0 | 0 | 0 | 111.3 | D521 G719 N720 L726 L727 | D521-H723 IonicContact OD2-CD2 3.81Å; D521-H723 IonicContact OD2-CE1 2.84Å; D521-H723 IonicContact OD2-NE2 2.8Å; G719-H723 PolarHBondContact O-N 2.89Å; N720-H723 PolarHBondContact O-N 2.96Å; H723-L726 PolarHBondContact O-N 2.94Å; H723-L727 WeakPolarHBondContact O-CG 3.32Å; H723-L727 PolarHBondContact O-N 2.99Å |
| 724 | R | 54 | Low | 54.3 | Low | 24 Ų | 24 | 81.3 Ų | 81.3 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 173.5 | -77 | 165.8 | -176 | -138.5 | -6 | 112.8 | F524 V527 M561 N720 I721 Y722 L727 L728 | F524-R724 HydrophobicContact CD2-CG 3.89Å; F524-R724 HydrophobicContact CE2-CG 3.49Å; F524-R724 VanDerWaalsContact CE2-CG 3.49Å; F524-R724 HydrophobicContact CZ-CG 4.5Å; V527-R724 VanDerWaalsContact CB-NH2 3.3Å; M561-R724 HydrophobicContact CB-CB 4.29Å; M561-R724 HydrophobicContact CB-CG 4.2Å; M561-R724 HydrophobicContact CE-CB 3.65Å; M561-R724 HydrophobicContact CE-CG 3.79Å; M561-R724 HydrophobicContact CG-CB 4.07Å; M561-R724 HydrophobicContact CG-CG 4.48Å; M561-R724 PolarHBondContact O-NH1 2.89Å; N720-R724 VanDerWaalsContact O-CB 3.3Å; N720-R724 WeakPolarHBondContact O-CB 3.35Å; N720-R724 VanDerWaalsContact O-CD 3.28Å; N720-R724 WeakPolarHBondContact O-CD 3.24Å; N720-R724 WeakPolarHBondContact O-CG 3.19Å; N720-R724 PolarHBondContact O-N 2.97Å; I721-R724 WeakPolarHBondContact O-CB 3.4Å; I721-R724 PolarHBondContact O-N 3.24Å; Y722-R724 VanDerWaalsContact C-N 3.31Å; Y722-R724 PolarHBondContact O-N 2.88Å; R724-L727 PolarHBondContact O-N 3.08Å; R724-L728 PolarHBondContact O-N 3.22Å |
| 725 | L | 58.1 | Low | 54.9 | Low | 103 Ų | 103 | 82.9 Ų | 82.9 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 178.6 | -166.1 | 75.1 | 0 | 0 | 0 | 111.2 | I721 Y722 L728 T729 | I721-L725 WeakPolarHBondContact O-CB 3.43Å; I721-L725 PolarHBondContact O-N 3.13Å; Y722-L725 PolarHBondContact O-N 3.26Å; L725-L728 PolarHBondContact O-N 2.93Å; L725-T729 VanDerWaalsContact O-CB 3.29Å; L725-T729 WeakPolarHBondContact O-CB 3.36Å; L725-T729 PolarHBondContact O-N 3.26Å; L725-T729 PolarHBondContact O-OG1 3.07Å |
| 726 | L | 58.4 | Low | 55.9 | Low | 52 Ų | 52 | 78.4 Ų | 78.4 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.2 | -163.7 | 79.3 | 0 | 0 | 0 | 111.5 | Y722 H723 T729 R730 | Y722-L726 WeakPolarHBondContact O-CB 3.12Å; Y722-L726 PolarHBondContact O-N 3.42Å; H723-L726 PolarHBondContact O-N 2.94Å; L726-T729 PolarHBondContact O-N 2.98Å; L726-R730 WeakPolarHBondContact O-CG 3.35Å; L726-R730 PolarHBondContact O-N 3.16Å |
| 727 | L | 57.5 | Low | 56.6 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.4 | -68.6 | 169.3 | 0 | 0 | 0 | 111.4 | I516 F524 H723 R724 R730 H731 | I516-L727 HydrophobicContact CB-CD2 4.38Å; I516-L727 HydrophobicContact CD1-CB 3.88Å; I516-L727 HydrophobicContact CD1-CD2 3.56Å; I516-L727 HydrophobicContact CD1-CG 4.26Å; I516-L727 HydrophobicContact CG1-CD2 4.47Å; I516-L727 HydrophobicContact CG2-CD2 3.4Å; F524-L727 HydrophobicContact CD1-CD1 4.25Å; F524-L727 HydrophobicContact CE1-CD1 3.74Å; F524-L727 HydrophobicContact CZ-CD1 3.91Å; H723-L727 WeakPolarHBondContact O-CG 3.32Å; H723-L727 PolarHBondContact O-N 2.99Å; R724-L727 PolarHBondContact O-N 3.08Å; L727-R730 PolarHBondContact O-N 3.49Å; L727-H731 PolarHBondContact O-N 2.93Å |
| 728 | L | 58 | Low | 57.3 | Low | 48 Ų | 48 | 79.2 Ų | 79.2 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.2 | -83.3 | 168.2 | 0 | 0 | 0 | 111.9 | F512 M561 R724 L725 R730 H731 L732 | F512-L728 HydrophobicContact CZ-CD2 4.29Å; M561-L728 HydrophobicContact CE-CD1 4.12Å; M561-L728 HydrophobicContact CE-CG 4.03Å; M561-L728 HydrophobicContact CG-CD1 3.7Å; M561-L728 HydrophobicContact SD-CD1 3.26Å; M561-L728 WeakPolarHBondContact SD-CD1 3.38Å; M561-L728 HydrophobicContact SD-CD2 3.97Å; M561-L728 HydrophobicContact SD-CG 3.57Å; M561-L728 VanDerWaalsContact SD-CG 3.57Å; R724-L728 PolarHBondContact O-N 3.22Å; L725-L728 PolarHBondContact O-N 2.93Å; L728-R730 VanDerWaalsContact C-N 3.29Å; L728-R730 PolarHBondContact O-N 2.96Å; L728-H731 PolarHBondContact O-N 3.07Å; L728-L732 WeakPolarHBondContact O-CB 3.44Å; L728-L732 VanDerWaalsContact O-CG 3.32Å; L728-L732 WeakPolarHBondContact O-CG 3.31Å; L728-L732 PolarHBondContact O-N 3.17Å |
| 729 | T | 62.9 | Low | 58.3 | Low | 78 Ų | 78 | 81 Ų | 81 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | -179.9 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | L725 L726 H733 | L725-T729 VanDerWaalsContact O-CB 3.29Å; L725-T729 WeakPolarHBondContact O-CB 3.36Å; L725-T729 PolarHBondContact O-N 3.26Å; L725-T729 PolarHBondContact O-OG1 3.07Å; L726-T729 PolarHBondContact O-N 2.98Å; T729-H733 WeakPolarHBondContact O-CB 3.29Å; T729-H733 PolarHBondContact O-N 2.87Å |
| 730 | R | 57.3 | Low | 59 | Low | 121 Ų | 121 | 83 Ų | 83 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 176.2 | -76.2 | 177.9 | 174.9 | 163 | -0.4 | 113.2 | L726 L727 L728 H733 R734 | L726-R730 WeakPolarHBondContact O-CG 3.35Å; L726-R730 PolarHBondContact O-N 3.16Å; L727-R730 PolarHBondContact O-N 3.49Å; L728-R730 VanDerWaalsContact C-N 3.29Å; L728-R730 PolarHBondContact O-N 2.96Å; R730-H733 PolarHBondContact O-N 3.38Å; R730-R734 PolarHBondContact O-N 2.92Å |
| 731 | H | 57.8 | Low | 59.5 | Low | 32 Ų | 32 | 84.2 Ų | 84.2 | 15% | 0.148 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.8 | 176.5 | 87.1 | 0 | 0 | 0 | 110.5 | L727 L728 H733 R734 T735 | L727-H731 PolarHBondContact O-N 2.93Å; L728-H731 PolarHBondContact O-N 3.07Å; H731-H733 VanDerWaalsContact C-N 3.33Å; H731-H733 PolarHBondContact O-N 3.34Å; H731-R734 PolarHBondContact O-N 2.95Å; H731-T735 PolarHBondContact NE2-OG1 3.24Å; H731-T735 WeakPolarHBondContact O-CB 3.1Å; H731-T735 PolarHBondContact O-N 2.82Å; H731-T735 PolarHBondContact O-OG1 3.27Å; H731-T735 VanDerWaalsContact O-OG1 3.08Å |
| 732 | L | 64.1 | Low | 60.1 | Low | 104 Ų | 104 | 83.3 Ų | 83.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 175.6 | -74.3 | 167.6 | 0 | 0 | 0 | 110.9 | L728 R734 T735 V736 | L728-L732 WeakPolarHBondContact O-CB 3.44Å; L728-L732 VanDerWaalsContact O-CG 3.32Å; L728-L732 WeakPolarHBondContact O-CG 3.31Å; L728-L732 PolarHBondContact O-N 3.17Å; L732-R734 PolarHBondContact O-N 2.86Å; L732-T735 PolarHBondContact O-N 3.48Å; L732-V736 VanDerWaalsContact O-CB 3.29Å; L732-V736 WeakPolarHBondContact O-CB 3.07Å; L732-V736 WeakPolarHBondContact O-CG2 3.35Å; L732-V736 PolarHBondContact O-N 2.89Å |
| 733 | H | 64.9 | Low | 61 | Low | 116 Ų | 116 | 81.5 Ų | 81.5 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 178.9 | -164.3 | 73.5 | 0 | 0 | 0 | 112 | T729 R730 H731 Q737 | T729-H733 WeakPolarHBondContact O-CB 3.29Å; T729-H733 PolarHBondContact O-N 2.87Å; R730-H733 PolarHBondContact O-N 3.38Å; H731-H733 VanDerWaalsContact C-N 3.33Å; H731-H733 PolarHBondContact O-N 3.34Å; H733-Q737 PolarHBondContact CD2-NE2 3.29Å; H733-Q737 PolarHBondContact NE2-NE2 3.45Å; H733-Q737 WeakPolarHBondContact O-CB 3.36Å; H733-Q737 WeakPolarHBondContact O-CG 3.47Å; H733-Q737 PolarHBondContact O-N 3.46Å |
| 734 | R | 57.9 | Low | 61.2 | Low | 121 Ų | 121 | 83.7 Ų | 83.7 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.6 | -79.4 | -173.8 | 176.3 | 174.5 | 2.2 | 113.5 | V515 R730 H731 L732 V736 Q737 K738 | V515-R734 PolarHBondContact O-NH1 3.42Å; R730-R734 PolarHBondContact O-N 2.92Å; H731-R734 PolarHBondContact O-N 2.95Å; L732-R734 PolarHBondContact O-N 2.86Å; R734-V736 VanDerWaalsContact C-N 3.33Å; R734-Q737 PolarHBondContact O-N 3.38Å; R734-K738 PolarHBondContact O-N 2.84Å |
| 735 | T | 63 | Low | 61.4 | Low | 46 Ų | 46 | 87 Ų | 87 | 28% | 0.282 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -40 | 178.4 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | H731 L732 R739 | H731-T735 PolarHBondContact NE2-OG1 3.24Å; H731-T735 WeakPolarHBondContact O-CB 3.1Å; H731-T735 PolarHBondContact O-N 2.82Å; H731-T735 PolarHBondContact O-OG1 3.27Å; H731-T735 VanDerWaalsContact O-OG1 3.08Å; L732-T735 PolarHBondContact O-N 3.48Å; T735-R739 WeakPolarHBondContact O-CG 3.26Å; T735-R739 PolarHBondContact O-N 2.97Å; T735-R739 VanDerWaalsContact O-N 3.15Å |
| 736 | V | 69.7 | Low | 61.8 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 172 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L732 R734 K738 R739 H740 | L732-V736 VanDerWaalsContact O-CB 3.29Å; L732-V736 WeakPolarHBondContact O-CB 3.07Å; L732-V736 WeakPolarHBondContact O-CG2 3.35Å; L732-V736 PolarHBondContact O-N 2.89Å; R734-V736 VanDerWaalsContact C-N 3.33Å; V736-K738 PolarHBondContact O-N 3.34Å; V736-R739 PolarHBondContact O-N 3.17Å; V736-H740 VanDerWaalsContact O-CB 3.26Å; V736-H740 WeakPolarHBondContact O-CB 3.11Å; V736-H740 PolarHBondContact O-N 2.97Å |
| 737 | Q | 58.3 | Low | 62.1 | Low | 91 Ų | 91 | 89.7 Ų | 89.7 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 176.6 | -79.6 | 175 | -12.8 | 0 | 0 | 112.6 | H733 R734 R739 H740 S741 | H733-Q737 PolarHBondContact CD2-NE2 3.29Å; H733-Q737 PolarHBondContact NE2-NE2 3.45Å; H733-Q737 WeakPolarHBondContact O-CB 3.36Å; H733-Q737 WeakPolarHBondContact O-CG 3.47Å; H733-Q737 PolarHBondContact O-N 3.46Å; R734-Q737 PolarHBondContact O-N 3.38Å; Q737-R739 VanDerWaalsContact C-N 3.34Å; Q737-R739 PolarHBondContact O-N 3.41Å; Q737-H740 PolarHBondContact O-N 3.38Å; Q737-S741 WeakPolarHBondContact O-CB 3.41Å; Q737-S741 PolarHBondContact O-N 3.46Å; Q737-S741 PolarHBondContact O-OG 2.9Å |
| 738 | K | 63.3 | Low | 62.1 | Low | 156 Ų | 156 | 92.9 Ų | 92.9 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 178.3 | -78.1 | -174 | 177.1 | -176 | 0 | 112.5 | R734 V736 S741 A742 | R734-K738 PolarHBondContact O-N 2.84Å; V736-K738 PolarHBondContact O-N 3.34Å; K738-S741 PolarHBondContact O-OG 3.36Å; K738-A742 WeakPolarHBondContact O-CB 3.43Å; K738-A742 PolarHBondContact O-N 3.22Å; K738-A742 VanDerWaalsContact O-N 3.11Å |
| 739 | R | 65.2 | Low | 62.4 | Low | 182 Ų | 182 | 97.5 Ų | 97.5 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.3 | -40.8 | 177.3 | -73.2 | -175.9 | 179.4 | 169.5 | 2.1 | 111.2 | T735 V736 Q737 A742 L743 | T735-R739 WeakPolarHBondContact O-CG 3.26Å; T735-R739 PolarHBondContact O-N 2.97Å; T735-R739 VanDerWaalsContact O-N 3.15Å; V736-R739 PolarHBondContact O-N 3.17Å; Q737-R739 VanDerWaalsContact C-N 3.34Å; Q737-R739 PolarHBondContact O-N 3.41Å; R739-A742 PolarHBondContact O-N 3.47Å; R739-L743 VanDerWaalsContact O-CB 3.31Å; R739-L743 WeakPolarHBondContact O-CB 3.32Å; R739-L743 PolarHBondContact O-N 3.47Å |
| 740 | H | 61.7 | Low | 62.5 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 177.8 | -162.5 | -72.5 | 0 | 0 | 0 | 111.8 | V736 Q737 F744 | V736-H740 VanDerWaalsContact O-CB 3.26Å; V736-H740 WeakPolarHBondContact O-CB 3.11Å; V736-H740 PolarHBondContact O-N 2.97Å; Q737-H740 PolarHBondContact O-N 3.38Å; H740-F744 WeakPolarHBondContact O-CB 3.32Å; H740-F744 PolarHBondContact O-N 3.02Å |
| 741 | S | 61.2 | Low | 62.9 | Low | 46 Ų | 46 | 94.8 Ų | 94.8 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 175.5 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | Q737 K738 F744 N745 | Q737-S741 WeakPolarHBondContact O-CB 3.41Å; Q737-S741 PolarHBondContact O-N 3.46Å; Q737-S741 PolarHBondContact O-OG 2.9Å; K738-S741 PolarHBondContact O-OG 3.36Å; S741-F744 PolarHBondContact O-N 2.96Å; S741-N745 WeakPolarHBondContact O-CB 3.26Å; S741-N745 VanDerWaalsContact O-CG 3.22Å; S741-N745 PolarHBondContact O-N 3.09Å; S741-N745 PolarHBondContact O-OD1 3.03Å |
| 742 | A | 66.9 | Low | 63.2 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K738 R739 F744 N745 E746 | K738-A742 WeakPolarHBondContact O-CB 3.43Å; K738-A742 PolarHBondContact O-N 3.22Å; K738-A742 VanDerWaalsContact O-N 3.11Å; R739-A742 PolarHBondContact O-N 3.47Å; A742-F744 VanDerWaalsContact C-N 3.3Å; A742-F744 PolarHBondContact O-N 3.4Å; A742-N745 PolarHBondContact O-N 2.87Å; A742-E746 PolarHBondContact O-N 3.47Å |
| 743 | L | 67.6 | Low | 63.4 | Low | 110 Ų | 110 | 95.8 Ų | 95.8 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.5 | -34.7 | 177.1 | -169.8 | 133.8 | 0 | 0 | 0 | 111.9 | R739 M747 | R739-L743 VanDerWaalsContact O-CB 3.31Å; R739-L743 WeakPolarHBondContact O-CB 3.32Å; R739-L743 PolarHBondContact O-N 3.47Å; L743-M747 VanDerWaalsContact O-CB 3.23Å; L743-M747 WeakPolarHBondContact O-CB 3.34Å; L743-M747 PolarHBondContact O-N 3.46Å |
| 744 | F | 57.6 | Low | 63.6 | Low | 87 Ų | 87 | 92.1 Ų | 92.1 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 174.9 | -175.3 | -96.4 | 0 | 0 | 0 | 112 | H740 S741 A742 M747 V748 | H740-F744 WeakPolarHBondContact O-CB 3.32Å; H740-F744 PolarHBondContact O-N 3.02Å; S741-F744 PolarHBondContact O-N 2.96Å; A742-F744 VanDerWaalsContact C-N 3.3Å; A742-F744 PolarHBondContact O-N 3.4Å; F744-M747 CarbonylContact O-C 3.54Å; F744-M747 WeakPolarHBondContact O-CB 3.4Å; F744-M747 PolarHBondContact O-N 3.43Å; F744-V748 HydrophobicContact CD1-CG2 3.87Å; F744-V748 HydrophobicContact CE1-CG2 3.44Å; F744-V748 VanDerWaalsContact CE1-CG2 3.44Å; F744-V748 HydrophobicContact CE2-CG2 4.28Å; F744-V748 HydrophobicContact CG-CG2 4.46Å; F744-V748 HydrophobicContact CZ-CG2 3.68Å; F744-V748 VanDerWaalsContact O-CG2 3.31Å; F744-V748 WeakPolarHBondContact O-CG2 3.42Å; F744-V748 PolarHBondContact O-N 3.47Å |
| 745 | N | 57.9 | Low | 64.1 | Low | 95 Ų | 95 | 90.9 Ų | 90.9 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.5 | -71.3 | -7.9 | 0 | 0 | 0 | 111.1 | S741 A742 M747 V748 E749 | S741-N745 WeakPolarHBondContact O-CB 3.26Å; S741-N745 VanDerWaalsContact O-CG 3.22Å; S741-N745 PolarHBondContact O-N 3.09Å; S741-N745 PolarHBondContact O-OD1 3.03Å; A742-N745 PolarHBondContact O-N 2.87Å; N745-M747 VanDerWaalsContact C-N 3.31Å; N745-M747 PolarHBondContact O-N 3.1Å; N745-V748 PolarHBondContact O-N 3.24Å; N745-E749 WeakPolarHBondContact O-CG 3.28Å; N745-E749 PolarHBondContact O-N 3.39Å |
| 746 | E | 66.2 | Low | 64.2 | Low | 128 Ų | 128 | 95.7 Ų | 95.7 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 174.8 | -171.9 | 176.2 | -175.3 | 0 | 0 | 111.2 | A742 E749 T750 | A742-E746 PolarHBondContact O-N 3.47Å; E746-E749 PolarHBondContact O-N 3.26Å; E746-T750 WeakPolarHBondContact O-CB 3.5Å; E746-T750 VanDerWaalsContact O-CG2 3.28Å; E746-T750 WeakPolarHBondContact O-CG2 3.3Å; E746-T750 PolarHBondContact O-N 2.99Å; E746-T750 PolarHBondContact O-OG1 2.88Å |
| 747 | M | 64.7 | Low | 64.3 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 40% | 0.404 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.3 | -176.8 | 177.8 | 170.3 | 0 | 0 | 112.5 | L743 F744 N745 T750 Q751 | L743-M747 VanDerWaalsContact O-CB 3.23Å; L743-M747 WeakPolarHBondContact O-CB 3.34Å; L743-M747 PolarHBondContact O-N 3.46Å; F744-M747 CarbonylContact O-C 3.54Å; F744-M747 WeakPolarHBondContact O-CB 3.4Å; F744-M747 PolarHBondContact O-N 3.43Å; N745-M747 VanDerWaalsContact C-N 3.31Å; N745-M747 PolarHBondContact O-N 3.1Å; M747-T750 VanDerWaalsContact CA-OG1 3.31Å; M747-T750 WeakPolarHBondContact CA-OG1 3.48Å; M747-T750 PolarHBondContact O-OG1 3.38Å; M747-Q751 HydrophobicContact CG-CG 4.31Å; M747-Q751 WeakPolarHBondContact O-CB 3.49Å; M747-Q751 WeakPolarHBondContact O-CG 3.49Å; M747-Q751 PolarHBondContact O-N 3.49Å |
| 748 | V | 57.3 | Low | 65.1 | Low | 71 Ų | 71 | 91.6 Ų | 91.6 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | F744 N745 Q751 G752 | F744-V748 HydrophobicContact CD1-CG2 3.87Å; F744-V748 HydrophobicContact CE1-CG2 3.44Å; F744-V748 VanDerWaalsContact CE1-CG2 3.44Å; F744-V748 HydrophobicContact CE2-CG2 4.28Å; F744-V748 HydrophobicContact CG-CG2 4.46Å; F744-V748 HydrophobicContact CZ-CG2 3.68Å; F744-V748 VanDerWaalsContact O-CG2 3.31Å; F744-V748 WeakPolarHBondContact O-CG2 3.42Å; F744-V748 PolarHBondContact O-N 3.47Å; N745-V748 PolarHBondContact O-N 3.24Å; V748-Q751 PolarHBondContact O-N 3.38Å; V748-G752 PolarHBondContact O-N 3Å |
| 749 | E | 64.6 | Low | 65.5 | Low | 146 Ų | 146 | 84.1 Ų | 84.1 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 176.6 | -74.3 | 176.2 | -177 | 0 | 0 | 111.2 | N745 E746 G752 F753 | N745-E749 WeakPolarHBondContact O-CG 3.28Å; N745-E749 PolarHBondContact O-N 3.39Å; E746-E749 PolarHBondContact O-N 3.26Å; E749-G752 PolarHBondContact O-N 3.45Å; E749-F753 WeakPolarHBondContact O-CB 3.19Å; E749-F753 PolarHBondContact O-N 3.3Å |
| 750 | T | 66 | Low | 65.7 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 177.9 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | E746 M747 L754 | E746-T750 WeakPolarHBondContact O-CB 3.5Å; E746-T750 VanDerWaalsContact O-CG2 3.28Å; E746-T750 WeakPolarHBondContact O-CG2 3.3Å; E746-T750 PolarHBondContact O-N 2.99Å; E746-T750 PolarHBondContact O-OG1 2.88Å; M747-T750 VanDerWaalsContact CA-OG1 3.31Å; M747-T750 WeakPolarHBondContact CA-OG1 3.48Å; M747-T750 PolarHBondContact O-OG1 3.38Å; T750-L754 PolarHBondContact O-N 3.29Å; T750-L754 VanDerWaalsContact O-N 3.09Å |
| 751 | Q | 64.3 | Low | 66.2 | Low | 58 Ų | 58 | 77.1 Ų | 77.1 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 174.5 | -76.7 | -173.3 | -24 | 0 | 0 | 112.1 | M747 V748 F753 L754 Y755 | M747-Q751 HydrophobicContact CG-CG 4.31Å; M747-Q751 WeakPolarHBondContact O-CB 3.49Å; M747-Q751 WeakPolarHBondContact O-CG 3.49Å; M747-Q751 PolarHBondContact O-N 3.49Å; V748-Q751 PolarHBondContact O-N 3.38Å; Q751-F753 VanDerWaalsContact C-N 3.3Å; Q751-F753 PolarHBondContact O-N 2.99Å; Q751-L754 WeakPolarHBondContact O-CB 3.23Å; Q751-L754 PolarHBondContact O-N 3.45Å; Q751-L754 VanDerWaalsContact O-N 3.09Å; Q751-Y755 HydrophobicContact CB-CE2 4.45Å; Q751-Y755 WeakPolarHBondContact O-CD2 3.42Å; Q751-Y755 PolarHBondContact O-N 2.82Å |
| 752 | G | 63.7 | Low | 66.9 | Low | 26 Ų | 26 | 75.2 Ų | 75.2 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | V748 E749 L754 Y755 H756 | V748-G752 PolarHBondContact O-N 3Å; E749-G752 PolarHBondContact O-N 3.45Å; G752-L754 VanDerWaalsContact C-N 3.3Å; G752-L754 PolarHBondContact O-N 3Å; G752-Y755 PolarHBondContact O-N 2.94Å; G752-Y755 VanDerWaalsContact O-N 3.17Å; G752-H756 PolarHBondContact O-CD2 3.49Å; G752-H756 PolarHBondContact O-N 3.28Å; G752-H756 VanDerWaalsContact O-N 3.12Å |
| 753 | F | 69.3 | Low | 67.2 | Low | 131 Ų | 131 | 72.5 Ų | 72.5 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.5 | -40.7 | 173 | -175.1 | -108.5 | 0 | 0 | 0 | 112.8 | E749 Q751 Y755 H756 L757 | E749-F753 WeakPolarHBondContact O-CB 3.19Å; E749-F753 PolarHBondContact O-N 3.3Å; Q751-F753 VanDerWaalsContact C-N 3.3Å; Q751-F753 PolarHBondContact O-N 2.99Å; F753-Y755 PolarHBondContact O-N 2.9Å; F753-H756 WeakPolarHBondContact O-CB 3.22Å; F753-H756 PolarHBondContact O-N 3.26Å; F753-L757 HydrophobicContact CD1-CD1 3.79Å; F753-L757 HydrophobicContact CD1-CG 4.33Å; F753-L757 HydrophobicContact CE1-CD1 3.22Å; F753-L757 HydrophobicContact CE1-CG 3.96Å; F753-L757 HydrophobicContact CE2-CD1 4.46Å; F753-L757 HydrophobicContact CE2-CG 4.4Å; F753-L757 HydrophobicContact CZ-CD1 3.61Å; F753-L757 HydrophobicContact CZ-CD2 4.22Å; F753-L757 HydrophobicContact CZ-CG 3.98Å; F753-L757 PolarHBondContact O-N 3.46Å |
| 754 | L | 69.8 | Low | 67.4 | Low | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.8 | -168.2 | 73.4 | 0 | 0 | 0 | 112.7 | T750 Q751 G752 H756 L757 F758 A763 I767 | T750-L754 PolarHBondContact O-N 3.29Å; T750-L754 VanDerWaalsContact O-N 3.09Å; Q751-L754 WeakPolarHBondContact O-CB 3.23Å; Q751-L754 PolarHBondContact O-N 3.45Å; Q751-L754 VanDerWaalsContact O-N 3.09Å; G752-L754 VanDerWaalsContact C-N 3.3Å; G752-L754 PolarHBondContact O-N 3Å; L754-H756 VanDerWaalsContact C-N 3.3Å; L754-H756 PolarHBondContact O-N 3.49Å; L754-L757 PolarHBondContact O-N 3.46Å; L754-F758 HydrophobicContact CD1-CD2 3.67Å; L754-F758 HydrophobicContact CD1-CE2 3.98Å; L754-F758 HydrophobicContact CG-CD2 4.31Å; L754-F758 PolarHBondContact O-N 2.94Å; L754-A763 HydrophobicContact CD2-CB 4.03Å; L754-A763 HydrophobicContact CG-CB 4.05Å; L754-I767 HydrophobicContact CD2-CD1 3.83Å; L754-I767 HydrophobicContact CD2-CG1 3.63Å |
| 755 | Y | 67.2 | Low | 68.3 | Low | 94 Ų | 94 | 69.1 Ų | 69.1 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.4 | -24.5 | 175.8 | -71.1 | -66.5 | 0 | 0 | 0 | 113.3 | Q751 G752 F753 F758 P760 A763 T764 | Q751-Y755 HydrophobicContact CB-CE2 4.45Å; Q751-Y755 WeakPolarHBondContact O-CD2 3.42Å; Q751-Y755 PolarHBondContact O-N 2.82Å; G752-Y755 PolarHBondContact O-N 2.94Å; G752-Y755 VanDerWaalsContact O-N 3.17Å; F753-Y755 PolarHBondContact O-N 2.9Å; Y755-F758 VanDerWaalsContact O-O 3.12Å; Y755-P760 HydrophobicContact CD1-CB 4.1Å; Y755-P760 HydrophobicContact CE1-CB 4.17Å; Y755-A763 HydrophobicContact CD1-CB 3.83Å; Y755-A763 HydrophobicContact CE1-CB 3.89Å; Y755-T764 HydrophobicContact CE1-CG2 4.42Å |
| 756 | H | 66.4 | Low | 69.2 | Low | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.685 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -74.7 | -34.6 | 169.8 | -69.1 | -60.1 | 0 | 0 | 0 | 111.9 | G752 F753 L754 | G752-H756 PolarHBondContact O-CD2 3.49Å; G752-H756 PolarHBondContact O-N 3.28Å; G752-H756 VanDerWaalsContact O-N 3.12Å; F753-H756 WeakPolarHBondContact O-CB 3.22Å; F753-H756 PolarHBondContact O-N 3.26Å; L754-H756 VanDerWaalsContact C-N 3.3Å; L754-H756 PolarHBondContact O-N 3.49Å |
| 757 | L | 70.3 | Confident | 69.5 | Low | 79 Ų | 79 | 64 Ų | 64 | 41% | 0.414 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.4 | -29.2 | -179.2 | -73.2 | -176.3 | 0 | 0 | 0 | 114.9 | F753 L754 Y823 | F753-L757 HydrophobicContact CD1-CD1 3.79Å; F753-L757 HydrophobicContact CD1-CG 4.33Å; F753-L757 HydrophobicContact CE1-CD1 3.22Å; F753-L757 HydrophobicContact CE1-CG 3.96Å; F753-L757 HydrophobicContact CE2-CD1 4.46Å; F753-L757 HydrophobicContact CE2-CG 4.4Å; F753-L757 HydrophobicContact CZ-CD1 3.61Å; F753-L757 HydrophobicContact CZ-CD2 4.22Å; F753-L757 HydrophobicContact CZ-CG 3.98Å; F753-L757 PolarHBondContact O-N 3.46Å; L754-L757 PolarHBondContact O-N 3.46Å; L757-Y823 PolarHBondContact O-OH 3.27Å |
| 758 | F | 75.7 | Confident | 69.8 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -135.3 | 150.4 | -176.4 | -62.3 | -63.5 | 0 | 0 | 0 | 112.1 | L754 Y755 L762 A763 L766 Y823 L899 P907 F909 | L754-F758 HydrophobicContact CD1-CD2 3.67Å; L754-F758 HydrophobicContact CD1-CE2 3.98Å; L754-F758 HydrophobicContact CG-CD2 4.31Å; L754-F758 PolarHBondContact O-N 2.94Å; Y755-F758 VanDerWaalsContact O-O 3.12Å; F758-L762 HydrophobicContact CB-CB 4.37Å; F758-L762 HydrophobicContact CB-CD2 4.13Å; F758-L762 HydrophobicContact CB-CG 4.38Å; F758-L762 HydrophobicContact CD1-CD2 3.77Å; F758-L762 HydrophobicContact CG-CD2 4.2Å; F758-A763 HydrophobicContact CB-CB 4.29Å; F758-L766 HydrophobicContact CB-CD1 4.4Å; F758-L766 HydrophobicContact CD1-CD1 4.36Å; F758-L766 HydrophobicContact CD2-CD1 3.54Å; F758-L766 HydrophobicContact CE2-CD1 3.92Å; F758-L766 HydrophobicContact CG-CD1 3.81Å; F758-L766 HydrophobicContact CZ-CD1 4.5Å; F758-Y823 VanDerWaalsContact CA-OH 3.26Å; F758-Y823 WeakPolarHBondContact CA-OH 3.33Å; F758-Y823 PolarHBondContact N-OH 3.15Å; F758-L899 HydrophobicContact CD1-CD1 3.92Å; F758-L899 HydrophobicContact CE1-CD1 3.38Å; F758-L899 HydrophobicContact CZ-CD1 4.09Å; F758-P907 HydrophobicContact CZ-CB 4.42Å; F758-P907 HydrophobicContact CZ-CG 3.91Å; F758-F909 HydrophobicContact CD1-CB 4.35Å |
| 759 | P | 72.1 | Confident | 69.9 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -54.6 | 147 | 172.2 | -21.6 | 31.6 | 0 | 0 | 0 | 110.9 | D761 L762 A763 Y823 L845 F909 | P759-D761 VanDerWaalsContact C-N 3.29Å; P759-D761 PolarHBondContact O-N 2.98Å; P759-L762 HydrophobicContact CB-CB 4.37Å; P759-L762 HydrophobicContact CG-CB 4.47Å; P759-L762 CarbonylContact O-C 3.57Å; P759-L762 WeakPolarHBondContact O-CA 3.4Å; P759-L762 WeakPolarHBondContact O-CB 3.23Å; P759-L762 PolarHBondContact O-N 3.28Å; P759-A763 PolarHBondContact O-N 2.92Å; P759-Y823 VanDerWaalsContact CD-CZ 3.43Å; P759-Y823 HydrophobicContact CG-CD1 3.77Å; P759-Y823 HydrophobicContact CG-CD2 4.35Å; P759-Y823 HydrophobicContact CG-CE1 3.6Å; P759-Y823 HydrophobicContact CG-CE2 4.24Å; P759-Y823 HydrophobicContact CG-CG 4.14Å; P759-L845 HydrophobicContact CB-CB 4.21Å; P759-L845 HydrophobicContact CB-CD1 4.19Å; P759-L845 HydrophobicContact CG-CD1 3.73Å; P759-F909 HydrophobicContact CG-CD1 4.04Å; P759-F909 HydrophobicContact CG-CE1 3.86Å; P759-F909 HydrophobicContact CG-CG 4.5Å; P759-F909 HydrophobicContact CG-CZ 4.16Å | ||
| 760 | P | 69.3 | Low | 69.9 | Low | 77 Ų | 77 | 63.9 Ų | 63.9 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | -173.3 | 19.6 | -31.5 | 0 | 0 | 0 | 114.1 | Y755 L762 T764 | Y755-P760 HydrophobicContact CD1-CB 4.1Å; Y755-P760 HydrophobicContact CE1-CB 4.17Å; P760-L762 VanDerWaalsContact C-N 3.32Å; P760-T764 WeakPolarHBondContact O-CG2 3.28Å; P760-T764 PolarHBondContact O-N 3.37Å; P760-T764 VanDerWaalsContact O-N 3.1Å; P760-T764 PolarHBondContact O-OG1 3.04Å |
| 761 | D | 71.9 | Confident | 70 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 173.5 | -172.8 | 44.4 | 0 | 0 | 0 | 112.1 | P759 T764 R765 K775 | P759-D761 VanDerWaalsContact C-N 3.29Å; P759-D761 PolarHBondContact O-N 2.98Å; D761-T764 PolarHBondContact O-OG1 3.29Å; D761-T764 VanDerWaalsContact O-OG1 3.08Å; D761-R765 WeakPolarHBondContact O-CD 3.23Å; D761-R765 WeakPolarHBondContact O-CG 3.45Å; D761-R765 PolarHBondContact O-N 2.76Å; D761-K775 IonicContact OD2-NZ 3.79Å; D761-K775 PolarHBondContact OD2-NZ 3.37Å |
| 762 | L | 75.3 | Confident | 70.4 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -78.1 | -43 | 177.3 | -173.6 | 66.1 | 0 | 0 | 0 | 111.5 | F758 P759 P760 T764 R765 L766 V772 L899 F909 | F758-L762 HydrophobicContact CB-CB 4.37Å; F758-L762 HydrophobicContact CB-CD2 4.13Å; F758-L762 HydrophobicContact CB-CG 4.38Å; F758-L762 HydrophobicContact CD1-CD2 3.77Å; F758-L762 HydrophobicContact CG-CD2 4.2Å; P759-L762 HydrophobicContact CB-CB 4.37Å; P759-L762 HydrophobicContact CG-CB 4.47Å; P759-L762 CarbonylContact O-C 3.57Å; P759-L762 WeakPolarHBondContact O-CA 3.4Å; P759-L762 WeakPolarHBondContact O-CB 3.23Å; P759-L762 PolarHBondContact O-N 3.28Å; P760-L762 VanDerWaalsContact C-N 3.32Å; L762-T764 VanDerWaalsContact C-N 3.35Å; L762-T764 PolarHBondContact O-N 2.89Å; L762-R765 CarbonylContact O-C 3.24Å; L762-R765 PolarHBondContact O-N 3.09Å; L762-R765 VanDerWaalsContact O-N 3.17Å; L762-L766 HydrophobicContact CG-CD1 4.18Å; L762-L766 HydrophobicContact CG-CG 4.45Å; L762-L766 WeakPolarHBondContact O-CG 3.45Å; L762-L766 PolarHBondContact O-N 3.18Å; L762-V772 HydrophobicContact CD1-CB 4.04Å; L762-V772 HydrophobicContact CD1-CG1 3.33Å; L762-V772 HydrophobicContact CD1-CG2 4.2Å; L762-L899 HydrophobicContact CD2-CD1 4.2Å; L762-F909 HydrophobicContact CD2-CB 4.47Å; L762-F909 HydrophobicContact CD2-CD2 3.43Å; L762-F909 VanDerWaalsContact CD2-CD2 3.43Å; L762-F909 HydrophobicContact CD2-CE2 3.89Å; L762-F909 HydrophobicContact CD2-CG 4.14Å |
| 763 | A | 74.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L754 Y755 F758 P759 R765 L766 I767 | L754-A763 HydrophobicContact CD2-CB 4.03Å; L754-A763 HydrophobicContact CG-CB 4.05Å; Y755-A763 HydrophobicContact CD1-CB 3.83Å; Y755-A763 HydrophobicContact CE1-CB 3.89Å; F758-A763 HydrophobicContact CB-CB 4.29Å; P759-A763 PolarHBondContact O-N 2.92Å; A763-R765 VanDerWaalsContact C-N 3.34Å; A763-R765 PolarHBondContact O-N 3.25Å; A763-L766 PolarHBondContact O-N 2.79Å; A763-I767 VanDerWaalsContact O-CG1 3.31Å; A763-I767 WeakPolarHBondContact O-CG1 3.38Å; A763-I767 PolarHBondContact O-N 3.11Å |
| 764 | T | 71.1 | Confident | 71.8 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | Y755 P760 D761 L762 T768 | Y755-T764 HydrophobicContact CE1-CG2 4.42Å; P760-T764 WeakPolarHBondContact O-CG2 3.28Å; P760-T764 PolarHBondContact O-N 3.37Å; P760-T764 VanDerWaalsContact O-N 3.1Å; P760-T764 PolarHBondContact O-OG1 3.04Å; D761-T764 PolarHBondContact O-OG1 3.29Å; D761-T764 VanDerWaalsContact O-OG1 3.08Å; L762-T764 VanDerWaalsContact C-N 3.35Å; L762-T764 PolarHBondContact O-N 2.89Å; T764-T768 WeakPolarHBondContact O-CG2 3.35Å; T764-T768 PolarHBondContact O-N 3.19Å; T764-T768 PolarHBondContact O-OG1 3.49Å |
| 765 | R | 76.2 | Confident | 72.4 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 25% | 0.253 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | 173.2 | -71.5 | 175.1 | 69.2 | -159.5 | 1.6 | 113 | D761 L762 A763 T768 S769 V772 P773 | D761-R765 WeakPolarHBondContact O-CD 3.23Å; D761-R765 WeakPolarHBondContact O-CG 3.45Å; D761-R765 PolarHBondContact O-N 2.76Å; L762-R765 CarbonylContact O-C 3.24Å; L762-R765 PolarHBondContact O-N 3.09Å; L762-R765 VanDerWaalsContact O-N 3.17Å; A763-R765 VanDerWaalsContact C-N 3.34Å; A763-R765 PolarHBondContact O-N 3.25Å; R765-T768 WeakPolarHBondContact CA-OG1 3.44Å; R765-T768 PolarHBondContact O-N 2.77Å; R765-T768 PolarHBondContact O-OG1 3.04Å; R765-T768 VanDerWaalsContact O-OG1 3.12Å; R765-S769 PolarHBondContact O-N 2.84Å; R765-S769 PolarHBondContact O-OG 3.25Å; R765-V772 HydrophobicContact CB-CG2 4.05Å; R765-P773 VanDerWaalsContact NH2-CD 3.33Å |
| 766 | L | 77.1 | Confident | 73.2 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 174.8 | -75.4 | 170.6 | 0 | 0 | 0 | 112 | F758 L762 A763 T768 V772 L899 L903 | F758-L766 HydrophobicContact CB-CD1 4.4Å; F758-L766 HydrophobicContact CD1-CD1 4.36Å; F758-L766 HydrophobicContact CD2-CD1 3.54Å; F758-L766 HydrophobicContact CE2-CD1 3.92Å; F758-L766 HydrophobicContact CG-CD1 3.81Å; F758-L766 HydrophobicContact CZ-CD1 4.5Å; L762-L766 HydrophobicContact CG-CD1 4.18Å; L762-L766 HydrophobicContact CG-CG 4.45Å; L762-L766 WeakPolarHBondContact O-CG 3.45Å; L762-L766 PolarHBondContact O-N 3.18Å; A763-L766 PolarHBondContact O-N 2.79Å; L766-T768 VanDerWaalsContact C-N 3.29Å; L766-T768 PolarHBondContact O-N 2.85Å; L766-V772 HydrophobicContact CD2-CG2 3.82Å; L766-V772 HydrophobicContact CG-CG2 4.14Å; L766-L899 HydrophobicContact CD2-CD2 4.23Å; L766-L903 HydrophobicContact CD2-CD2 3.85Å |
| 767 | I | 72.6 | Confident | 74 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 174.8 | -68.1 | 164.4 | 0 | 0 | 0 | 111.1 | L754 A763 | L754-I767 HydrophobicContact CD2-CD1 3.83Å; L754-I767 HydrophobicContact CD2-CG1 3.63Å; A763-I767 VanDerWaalsContact O-CG1 3.31Å; A763-I767 WeakPolarHBondContact O-CG1 3.38Å; A763-I767 PolarHBondContact O-N 3.11Å |
| 768 | T | 71 | Confident | 74.6 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 72% | 0.718 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -89.8 | -26.2 | -174.1 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | T764 R765 L766 | T764-T768 WeakPolarHBondContact O-CG2 3.35Å; T764-T768 PolarHBondContact O-N 3.19Å; T764-T768 PolarHBondContact O-OG1 3.49Å; R765-T768 WeakPolarHBondContact CA-OG1 3.44Å; R765-T768 PolarHBondContact O-N 2.77Å; R765-T768 PolarHBondContact O-OG1 3.04Å; R765-T768 VanDerWaalsContact O-OG1 3.12Å; L766-T768 VanDerWaalsContact C-N 3.29Å; L766-T768 PolarHBondContact O-N 2.85Å |
| 769 | S | 59.1 | Low | 74.9 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | trans | -139.7 | 145.4 | -170.7 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | R765 S771 | R765-S769 PolarHBondContact O-N 2.84Å; R765-S769 PolarHBondContact O-OG 3.25Å; S769-S771 VanDerWaalsContact C-N 3.31Å; S769-S771 PolarHBondContact O-N 3.36Å | ||
| 770 | V | 64.2 | Low | 75.6 | Confident | 134 Ų | 134 | 61.3 Ų | 61.3 | 81% | 0.812 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.4 | -19.5 | -177.1 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | L903 | V770-L903 VanDerWaalsContact O-CD1 3.31Å; V770-L903 WeakPolarHBondContact O-CD1 3.39Å |
| 771 | S | 68 | Low | 76.4 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 67% | 0.671 | 34% | 0.338 | S | S | * | . | trans | -144.7 | 129.2 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | S769 | S769-S771 VanDerWaalsContact C-N 3.31Å; S769-S771 PolarHBondContact O-N 3.36Å | ||
| 772 | V | 73.6 | Confident | 77.3 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | trans | -111.8 | 112.5 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | L762 R765 L766 | L762-V772 HydrophobicContact CD1-CB 4.04Å; L762-V772 HydrophobicContact CD1-CG1 3.33Å; L762-V772 HydrophobicContact CD1-CG2 4.2Å; R765-V772 HydrophobicContact CB-CG2 4.05Å; L766-V772 HydrophobicContact CD2-CG2 3.82Å; L766-V772 HydrophobicContact CG-CG2 4.14Å | ||
| 773 | P | 79.2 | Confident | 77.9 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | trans | -66.9 | 152.6 | 173 | 26.6 | -35.6 | 0 | 0 | 0 | 112.1 | R765 | R765-P773 VanDerWaalsContact NH2-CD 3.33Š| ||
| 774 | P | 82 | Confident | 78.5 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | trans | -60.3 | 146.7 | 177.8 | 25.5 | -33.4 | 0 | 0 | 0 | 111.6 | M896 G897 | P774-M896 HydrophobicContact CB-CG 4.34Å; P774-M896 HydrophobicContact CB-SD 4.17Å; P774-G897 WeakPolarHBondContact CA-O 3.01Å | ||
| 775 | K | 82.4 | Confident | 79.2 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 30% | 0.296 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.7 | -176.4 | -172.6 | 179.2 | -177.9 | -173 | 0 | 110 | D761 Y777 G897 | D761-K775 IonicContact OD2-NZ 3.79Å; D761-K775 PolarHBondContact OD2-NZ 3.37Å; K775-Y777 HydrophobicContact CB-CE2 4.19Å; K775-Y777 HydrophobicContact CD-CE1 3.87Å; K775-Y777 HydrophobicContact CG-CE1 4.44Å; K775-Y777 HydrophobicContact CG-CE2 4.48Å; K775-G897 PolarHBondContact N-O 3.38Å; K775-G897 PolarHBondContact O-N 3.39Å |
| 776 | V | 85 | Confident | 79.6 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128 | 170.1 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | M896 | V776-M896 HydrophobicContact CG2-CE 4.04Å; V776-M896 HydrophobicContact CG2-CG 4.36Å |
| 777 | Y | 83.5 | Confident | 79.9 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.5 | 173.6 | -61.6 | -84.8 | 0 | 0 | 0 | 108.6 | K775 T780 L845 T894 C895 F909 | K775-Y777 HydrophobicContact CB-CE2 4.19Å; K775-Y777 HydrophobicContact CD-CE1 3.87Å; K775-Y777 HydrophobicContact CG-CE1 4.44Å; K775-Y777 HydrophobicContact CG-CE2 4.48Å; Y777-T780 WeakPolarHBondContact CB-OG1 3.39Å; Y777-L845 HydrophobicContact CD1-CD2 4.01Å; Y777-L845 HydrophobicContact CD2-CD2 3.88Å; Y777-L845 HydrophobicContact CE1-CB 4.23Å; Y777-L845 HydrophobicContact CE1-CD2 3.81Å; Y777-L845 VanDerWaalsContact CE1-O 3.29Å; Y777-L845 WeakPolarHBondContact CE1-O 3.25Å; Y777-L845 HydrophobicContact CE2-CD2 3.68Å; Y777-L845 HydrophobicContact CG-CD2 4.04Å; Y777-T894 VanDerWaalsContact O-CA 3.32Å; Y777-T894 WeakPolarHBondContact O-CA 3.42Å; Y777-C895 PolarHBondContact N-O 3.23Å; Y777-C895 PolarHBondContact O-N 3.26Å; Y777-F909 HydrophobicContact CE2-CZ 4.2Å |
| 778 | N | 82 | Confident | 80.4 | Confident | 118 Ų | 118 | 47 Ų | 47 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -26.8 | -173.7 | -68.9 | -12.9 | 0 | 0 | 0 | 113.4 | T894 | N778-T894 WeakPolarHBondContact O-CG2 3.38Å |
| 779 | S | 82.6 | Confident | 80.9 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 91.4 | -174.1 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | P851 | S779-P851 WeakPolarHBondContact OG-CG 3.38Å |
| 780 | T | 86.1 | Confident | 82 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.6 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | Y777 I782 A842 S843 S892 G893 L915 | Y777-T780 WeakPolarHBondContact CB-OG1 3.39Å; T780-I782 HydrophobicContact CG2-CG1 4.16Å; T780-A842 HydrophobicContact CG2-CB 4.1Å; T780-S843 WeakPolarHBondContact CA-O 3.33Å; T780-S843 WeakPolarHBondContact CG2-O 3.29Å; T780-S892 CarbonylContact O-C 3.58Å; T780-S892 VanDerWaalsContact O-CA 3.29Å; T780-S892 WeakPolarHBondContact O-CA 3.23Å; T780-G893 PolarHBondContact N-O 2.94Å; T780-G893 PolarHBondContact O-N 2.96Å; T780-L915 WeakPolarHBondContact O-CD2 3.41Å |
| 781 | T | 86.9 | Confident | 82.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.4 | 171.1 | -57 | 0 | 0 | 0 | 0 | 108.2 | A842 S843 M858 I890 A891 S892 | T781-A842 WeakPolarHBondContact O-CA 3.48Å; T781-S843 PolarHBondContact N-O 3.39Å; T781-S843 PolarHBondContact O-N 3.4Å; T781-M858 HydrophobicContact CG2-CB 3.77Å; T781-M858 HydrophobicContact CG2-CG 3.88Å; T781-M858 WeakPolarHBondContact O-CE 3.25Å; T781-I890 HydrophobicContact CG2-CG2 3.48Å; T781-I890 VanDerWaalsContact CG2-CG2 3.48Å; T781-A891 WeakPolarHBondContact CA-O 3.05Å; T781-S892 WeakPolarHBondContact CG2-OG 3.37Å; T781-S892 PolarHBondContact OG1-OG 3.03Å |
| 782 | I | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.9 | 179.1 | -59.1 | -176.2 | 0 | 0 | 0 | 108.9 | T780 F784 Q840 L841 I890 A891 L911 L915 V916 A919 | T780-I782 HydrophobicContact CG2-CG1 4.16Å; I782-F784 HydrophobicContact CG2-CD2 3.92Å; I782-F784 HydrophobicContact CG2-CE2 3.64Å; I782-F784 HydrophobicContact CG2-CZ 4.24Å; I782-Q840 HydrophobicContact CG2-CG 4.11Å; I782-L841 CarbonylContact C-O 3.41Å; I782-L841 VanDerWaalsContact CA-O 3.31Å; I782-L841 WeakPolarHBondContact CA-O 3.49Å; I782-I890 WeakPolarHBondContact O-CA 3.4Å; I782-A891 PolarHBondContact N-O 3.06Å; I782-A891 PolarHBondContact O-N 3.39Å; I782-A891 VanDerWaalsContact O-N 3.1Å; I782-L911 HydrophobicContact CD1-CD1 3.98Å; I782-L911 HydrophobicContact CG1-CD1 4.33Å; I782-L915 HydrophobicContact CD1-CB 4.49Å; I782-L915 HydrophobicContact CD1-CD2 3.75Å; I782-L915 HydrophobicContact CD1-CG 3.83Å; I782-L915 HydrophobicContact CG1-CD2 3.86Å; I782-L915 HydrophobicContact CG1-CG 4.18Å; I782-V916 HydrophobicContact CD1-CG2 3.77Å; I782-A919 HydrophobicContact CB-CB 4.07Å; I782-A919 HydrophobicContact CG2-CB 3.94Å |
| 783 | Y | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.1 | 171.3 | 163.6 | -79.9 | 0 | 0 | 0 | 109.6 | S785 Q840 L841 M858 A862 V865 T888 G889 I890 | Y783-S785 WeakPolarHBondContact OH-CB 3.39Å; Y783-Q840 WeakPolarHBondContact O-CA 3.47Å; Y783-L841 HydrophobicContact CD1-CB 4.15Å; Y783-L841 HydrophobicContact CD1-CD1 3.54Å; Y783-L841 HydrophobicContact CD1-CG 3.83Å; Y783-L841 HydrophobicContact CE1-CD1 3.91Å; Y783-L841 HydrophobicContact CE1-CG 4.45Å; Y783-L841 HydrophobicContact CG-CD1 4.22Å; Y783-L841 PolarHBondContact N-O 2.94Å; Y783-L841 PolarHBondContact O-N 2.96Å; Y783-M858 WeakPolarHBondContact CB-SD 3.24Å; Y783-M858 HydrophobicContact CG-SD 4.06Å; Y783-A862 HydrophobicContact CD2-CB 3.97Å; Y783-A862 HydrophobicContact CE2-CB 3.67Å; Y783-V865 WeakPolarHBondContact OH-CG1 3.36Å; Y783-T888 HydrophobicContact CE2-CG2 3.77Å; Y783-T888 VanDerWaalsContact OH-CG2 3.23Å; Y783-T888 WeakPolarHBondContact OH-CG2 3.28Å; Y783-G889 WeakPolarHBondContact CA-O 3.37Å; Y783-I890 HydrophobicContact CD2-CD1 4.23Å; Y783-I890 HydrophobicContact CD2-CG1 3.97Å |
| 784 | F | 87.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.9 | 169 | -80.7 | -69 | 0 | 0 | 0 | 110.5 | I782 F839 Q840 T888 G889 V916 A919 Q920 E923 | I782-F784 HydrophobicContact CG2-CD2 3.92Å; I782-F784 HydrophobicContact CG2-CE2 3.64Å; I782-F784 HydrophobicContact CG2-CZ 4.24Å; F784-F839 WeakPolarHBondContact CA-O 3.45Å; F784-Q840 HydrophobicContact CD1-CB 4.24Å; F784-Q840 HydrophobicContact CD1-CG 4.45Å; F784-Q840 HydrophobicContact CE1-CB 3.68Å; F784-Q840 HydrophobicContact CE1-CG 3.71Å; F784-Q840 HydrophobicContact CZ-CB 4.28Å; F784-Q840 HydrophobicContact CZ-CG 3.79Å; F784-T888 WeakPolarHBondContact O-CA 3.33Å; F784-G889 PolarHBondContact N-O 3Å; F784-G889 PolarHBondContact O-N 3.15Å; F784-V916 HydrophobicContact CE2-CG1 4.04Å; F784-V916 HydrophobicContact CZ-CG1 3.84Å; F784-A919 HydrophobicContact CD2-CB 3.5Å; F784-A919 VanDerWaalsContact CD2-CB 3.5Å; F784-A919 HydrophobicContact CE2-CB 3.75Å; F784-Q920 HydrophobicContact CD2-CB 4.41Å; F784-Q920 HydrophobicContact CE2-CB 4.29Å; F784-E923 HydrophobicContact CB-CB 3.81Å; F784-E923 HydrophobicContact CB-CG 4.06Å |
| 785 | S | 85 | Confident | 83.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.4 | 169.3 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | Y783 L838 F839 R887 | Y783-S785 WeakPolarHBondContact OH-CB 3.39Å; S785-L838 WeakPolarHBondContact O-CB 3.41Å; S785-L838 PolarHBondContact O-N 3.25Å; S785-L838 VanDerWaalsContact O-N 3.1Å; S785-F839 PolarHBondContact N-O 3.15Å; S785-R887 VanDerWaalsContact CA-O 3.22Å; S785-R887 WeakPolarHBondContact CA-O 3.36Å |
| 786 | D | 85.5 | Confident | 84 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.7 | 175.4 | 178.7 | 32.8 | 0 | 0 | 0 | 110.6 | I886 R887 E923 | D786-I886 CarbonylContact O-C 3.54Å; D786-I886 WeakPolarHBondContact O-CA 3.42Å; D786-R887 PolarHBondContact N-O 2.95Å; D786-R887 PolarHBondContact O-N 3.37Å; D786-E923 HydrophobicContact CB-CG 4.23Å; D786-E923 VanDerWaalsContact CB-OE1 3.29Å; D786-E923 WeakPolarHBondContact CB-OE1 3.33Å |
| 787 | I | 83.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 115.7 | 171.5 | -61.9 | 176.9 | 0 | 0 | 0 | 108.4 | G789 F790 L838 L884 I886 | I787-G789 PolarHBondContact O-N 2.95Å; I787-F790 HydrophobicContact CB-CB 4.1Å; I787-F790 HydrophobicContact CD1-CD2 4.15Å; I787-F790 HydrophobicContact CG2-CB 4.13Å; I787-F790 HydrophobicContact CG2-CD2 4.44Å; I787-F790 PolarHBondContact O-N 3.24Å; I787-L838 HydrophobicContact CD1-CD1 3.42Å; I787-L838 VanDerWaalsContact CD1-CD1 3.42Å; I787-L838 HydrophobicContact CD1-CD2 3.85Å; I787-L838 HydrophobicContact CD1-CG 4.25Å; I787-L838 HydrophobicContact CG1-CD1 3.81Å; I787-L838 HydrophobicContact CG1-CD2 3.58Å; I787-L838 HydrophobicContact CG1-CG 4.22Å; I787-L884 HydrophobicContact CG2-CD2 4.01Å; I787-I886 HydrophobicContact CG1-CG2 4.28Å |
| 788 | V | 83.1 | Confident | 84 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 120 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | R885 R887 P928 | V788-R885 HydrophobicContact CB-CB 4.28Å; V788-R885 HydrophobicContact CG2-CB 4.42Å; V788-R885 PolarHBondContact N-O 2.97Å; V788-R887 HydrophobicContact CG2-CB 4.47Å; V788-R887 HydrophobicContact CG2-CG 3.59Å; V788-P928 HydrophobicContact CG1-CG 4.35Å; V788-P928 HydrophobicContact CG2-CB 4.04Å; V788-P928 HydrophobicContact CG2-CG 4.07Å |
| 789 | G | 81.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 22.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | I787 T791 D792 V793 | I787-G789 PolarHBondContact O-N 2.95Å; G789-T791 PolarHBondContact O-N 2.89Å; G789-D792 WeakPolarHBondContact O-CB 3.18Å; G789-D792 PolarHBondContact O-N 3.46Å; G789-V793 PolarHBondContact O-N 3.49Å |
| 790 | F | 80.4 | Confident | 84.3 | Confident | 41 Ų | 41 | 42 Ų | 42 | 18% | 0.18 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.6 | -36.5 | 176.8 | -177 | -102.1 | 0 | 0 | 0 | 113.2 | I787 D792 V793 S794 I802 M805 L806 | I787-F790 HydrophobicContact CB-CB 4.1Å; I787-F790 HydrophobicContact CD1-CD2 4.15Å; I787-F790 HydrophobicContact CG2-CB 4.13Å; I787-F790 HydrophobicContact CG2-CD2 4.44Å; I787-F790 PolarHBondContact O-N 3.24Å; F790-D792 VanDerWaalsContact C-N 3.3Å; F790-D792 PolarHBondContact O-N 3.4Å; F790-V793 PolarHBondContact O-N 2.92Å; F790-S794 WeakPolarHBondContact O-CB 3.39Å; F790-S794 PolarHBondContact O-N 3.23Å; F790-S794 PolarHBondContact O-OG 3.46Å; F790-I802 HydrophobicContact CE2-CG2 4.24Å; F790-I802 HydrophobicContact CZ-CG2 4.05Å; F790-M805 HydrophobicContact CD2-CE 4.24Å; F790-M805 HydrophobicContact CE2-CE 3.77Å; F790-L806 HydrophobicContact CE2-CD2 4.26Å |
| 791 | T | 80.5 | Confident | 84.3 | Confident | 62 Ų | 62 | 43.3 Ų | 43.3 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 174.3 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | G789 S794 S795 Y836 | G789-T791 PolarHBondContact O-N 2.89Å; T791-S794 WeakPolarHBondContact CA-OG 3.5Å; T791-S794 PolarHBondContact O-OG 3Å; T791-S795 WeakPolarHBondContact O-CB 3.31Å; T791-S795 PolarHBondContact O-N 2.79Å; T791-S795 PolarHBondContact O-OG 2.88Å; T791-S795 VanDerWaalsContact O-OG 3.09Å; T791-Y836 WeakPolarHBondContact OG1-CE1 3.47Å |
| 792 | D | 80.9 | Confident | 84.1 | Confident | 113 Ų | 113 | 44.2 Ų | 44.2 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71 | -39 | 178.9 | -53.8 | -32.7 | 0 | 0 | 0 | 110.1 | G789 F790 S795 V796 | G789-D792 WeakPolarHBondContact O-CB 3.18Å; G789-D792 PolarHBondContact O-N 3.46Å; F790-D792 VanDerWaalsContact C-N 3.3Å; F790-D792 PolarHBondContact O-N 3.4Å; D792-S795 PolarHBondContact O-OG 3.01Å; D792-V796 WeakPolarHBondContact O-CG2 3.18Å |
| 793 | V | 80.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | G789 F790 V796 N797 M805 L877 | G789-V793 PolarHBondContact O-N 3.49Å; F790-V793 PolarHBondContact O-N 2.92Å; V793-V796 PolarHBondContact O-N 2.85Å; V793-N797 WeakPolarHBondContact O-CB 3.47Å; V793-N797 PolarHBondContact O-N 3.1Å; V793-N797 VanDerWaalsContact O-N 3.16Å; V793-N797 PolarHBondContact O-ND2 3.03Å; V793-M805 HydrophobicContact CG1-CE 4.49Å; V793-M805 HydrophobicContact CG1-SD 4.27Å; V793-L877 HydrophobicContact CG1-CD1 4.37Å; V793-L877 HydrophobicContact CG1-CD2 4.45Å |
| 794 | S | 81.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.3 | -26.9 | -177.5 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | F790 T791 V796 | F790-S794 WeakPolarHBondContact O-CB 3.39Å; F790-S794 PolarHBondContact O-N 3.23Å; F790-S794 PolarHBondContact O-OG 3.46Å; T791-S794 WeakPolarHBondContact CA-OG 3.5Å; T791-S794 PolarHBondContact O-OG 3Å; S794-V796 VanDerWaalsContact C-N 3.33Å |
| 795 | S | 83.2 | Confident | 83.3 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.1 | -23.7 | 174.1 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | T791 D792 | T791-S795 WeakPolarHBondContact O-CB 3.31Å; T791-S795 PolarHBondContact O-N 2.79Å; T791-S795 PolarHBondContact O-OG 2.88Å; T791-S795 VanDerWaalsContact O-OG 3.09Å; D792-S795 PolarHBondContact O-OG 3.01Å |
| 796 | V | 84.9 | Confident | 83.2 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -98.5 | -26.6 | -176.5 | 177.4 | 0 | 0 | 0 | 0 | 112.9 | D792 V793 S794 K878 | D792-V796 WeakPolarHBondContact O-CG2 3.18Å; V793-V796 PolarHBondContact O-N 2.85Å; S794-V796 VanDerWaalsContact C-N 3.33Å; V796-K878 HydrophobicContact CG1-CB 4.3Å |
| 797 | N | 83.4 | Confident | 83 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -103.9 | 152.1 | -172.2 | -70.2 | -77 | 0 | 0 | 0 | 112.8 | V793 I802 L877 K878 | V793-N797 WeakPolarHBondContact O-CB 3.47Å; V793-N797 PolarHBondContact O-N 3.1Å; V793-N797 VanDerWaalsContact O-N 3.16Å; V793-N797 PolarHBondContact O-ND2 3.03Å; N797-I802 HydrophobicContact CB-CD1 4.43Å; N797-I802 HydrophobicContact CB-CG1 4.01Å; N797-L877 HydrophobicContact CB-CD2 4.23Å; N797-L877 WeakPolarHBondContact OD1-CA 3.2Å; N797-K878 PolarHBondContact ND2-O 2.89Å; N797-K878 PolarHBondContact OD1-N 2.96Å |
| 798 | E | 86.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 61.6 Ų | 61.6 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | trans | -66.8 | 147.8 | 173.6 | -67.9 | -63.8 | 153.9 | 0 | 0 | 110.6 | E800 D801 I802 | E798-E800 PolarHBondContact O-N 3.48Å; E798-D801 PolarHBondContact O-N 3.48Å; E798-I802 WeakPolarHBondContact O-CG1 3.47Å; E798-I802 PolarHBondContact O-N 3.49Å; E798-I802 VanDerWaalsContact O-N 3.08Å | ||
| 799 | P | 83.6 | Confident | 82.9 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.8 | -32.6 | 179.9 | 23.2 | -33 | 0 | 0 | 0 | 112.8 | I802 C803 | P799-I802 PolarHBondContact O-N 3.49Å; P799-C803 WeakPolarHBondContact O-CB 3.46Å; P799-C803 PolarHBondContact O-N 2.95Å; P799-C803 PolarHBondContact O-SG 2.98Å |
| 800 | E | 87 | Confident | 82.8 | Confident | 125 Ų | 125 | 60.5 Ų | 60.5 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 176.4 | -165.4 | -172.9 | 151.5 | 0 | 0 | 112.1 | E798 C803 K804 | E798-E800 PolarHBondContact O-N 3.48Å; E800-C803 PolarHBondContact O-N 2.84Å; E800-K804 WeakPolarHBondContact O-CG 3.44Å; E800-K804 PolarHBondContact O-N 3.49Å; E800-K804 VanDerWaalsContact OE1-CE 3.27Å; E800-K804 WeakPolarHBondContact OE1-CE 3.32Å; E800-K804 IonicContact OE1-NZ 2.76Å; E800-K804 PolarHBondContact OE1-NZ 2.85Å |
| 801 | D | 85 | Confident | 82.7 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.2 | -38 | 177.9 | -66.8 | -33.2 | 0 | 0 | 0 | 111.1 | E798 C803 K804 M805 F876 L877 | E798-D801 PolarHBondContact O-N 3.48Å; D801-C803 VanDerWaalsContact C-N 3.35Å; D801-K804 PolarHBondContact O-N 3.31Å; D801-M805 WeakPolarHBondContact O-CB 3.26Å; D801-M805 PolarHBondContact O-N 3.44Å; D801-F876 HydrophobicContact CB-CD2 4.07Å; D801-F876 HydrophobicContact CB-CE2 4.38Å; D801-F876 WeakPolarHBondContact O-CE2 3.4Å; D801-L877 HydrophobicContact CB-CD2 4.44Å |
| 802 | I | 84 | Confident | 82.6 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 173.3 | -60.3 | 165.8 | 0 | 0 | 0 | 110.1 | F790 N797 E798 P799 M805 L806 | F790-I802 HydrophobicContact CE2-CG2 4.24Å; F790-I802 HydrophobicContact CZ-CG2 4.05Å; N797-I802 HydrophobicContact CB-CD1 4.43Å; N797-I802 HydrophobicContact CB-CG1 4.01Å; E798-I802 WeakPolarHBondContact O-CG1 3.47Å; E798-I802 PolarHBondContact O-N 3.49Å; E798-I802 VanDerWaalsContact O-N 3.08Å; P799-I802 PolarHBondContact O-N 3.49Å; I802-M805 HydrophobicContact CG2-CE 4.32Å; I802-M805 PolarHBondContact O-N 2.85Å; I802-L806 HydrophobicContact CG2-CD1 4.02Å; I802-L806 HydrophobicContact CG2-CG 4.37Å; I802-L806 WeakPolarHBondContact O-CB 3.29Å; I802-L806 VanDerWaalsContact O-CG 3.3Å; I802-L806 WeakPolarHBondContact O-CG 3.35Å; I802-L806 PolarHBondContact O-N 2.88Å |
| 803 | C | 82.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 57% | 0.568 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 176.1 | -75.4 | 0 | 0 | 0 | 0 | 111.9 | P799 E800 D801 L806 D807 | P799-C803 WeakPolarHBondContact O-CB 3.46Å; P799-C803 PolarHBondContact O-N 2.95Å; P799-C803 PolarHBondContact O-SG 2.98Å; E800-C803 PolarHBondContact O-N 2.84Å; D801-C803 VanDerWaalsContact C-N 3.35Å; C803-L806 PolarHBondContact O-N 2.9Å; C803-D807 WeakPolarHBondContact O-CB 3.38Å; C803-D807 PolarHBondContact O-N 3.35Å |
| 804 | K | 83.6 | Confident | 82.1 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.8 | -72.7 | 170.4 | -173.5 | 161.2 | 0 | 112.3 | E800 D801 D807 I808 F876 | E800-K804 WeakPolarHBondContact O-CG 3.44Å; E800-K804 PolarHBondContact O-N 3.49Å; E800-K804 VanDerWaalsContact OE1-CE 3.27Å; E800-K804 WeakPolarHBondContact OE1-CE 3.32Å; E800-K804 IonicContact OE1-NZ 2.76Å; E800-K804 PolarHBondContact OE1-NZ 2.85Å; D801-K804 PolarHBondContact O-N 3.31Å; K804-D807 PolarHBondContact O-N 2.83Å; K804-I808 WeakPolarHBondContact O-CG1 3.42Å; K804-I808 PolarHBondContact O-N 3.17Å; K804-I808 VanDerWaalsContact O-N 3.09Å; K804-F876 HydrophobicContact CB-CE2 4.25Å; K804-F876 HydrophobicContact CB-CZ 4.19Å |
| 805 | M | 82.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.7 | 176.9 | -167.9 | 70.6 | 0 | 0 | 110.9 | F790 V793 D801 I802 L809 F874 F876 L877 L884 | F790-M805 HydrophobicContact CD2-CE 4.24Å; F790-M805 HydrophobicContact CE2-CE 3.77Å; V793-M805 HydrophobicContact CG1-CE 4.49Å; V793-M805 HydrophobicContact CG1-SD 4.27Å; D801-M805 WeakPolarHBondContact O-CB 3.26Å; D801-M805 PolarHBondContact O-N 3.44Å; I802-M805 HydrophobicContact CG2-CE 4.32Å; I802-M805 PolarHBondContact O-N 2.85Å; M805-L809 VanDerWaalsContact O-CB 3.29Å; M805-L809 WeakPolarHBondContact O-CB 3.49Å; M805-L809 PolarHBondContact O-N 3.21Å; M805-F874 HydrophobicContact CB-CD1 4.2Å; M805-F874 HydrophobicContact CB-CE1 4.2Å; M805-F874 HydrophobicContact CG-CD1 3.84Å; M805-F874 HydrophobicContact CG-CD2 4.45Å; M805-F874 HydrophobicContact CG-CE1 3.64Å; M805-F874 HydrophobicContact CG-CE2 4.32Å; M805-F874 HydrophobicContact CG-CG 4.22Å; M805-F874 HydrophobicContact CG-CZ 3.89Å; M805-F876 HydrophobicContact CB-CE2 4.09Å; M805-F876 HydrophobicContact CB-CZ 4.14Å; M805-L877 HydrophobicContact CG-CD1 4.28Å; M805-L877 HydrophobicContact SD-CD1 3.58Å; M805-L877 VanDerWaalsContact SD-CD1 3.58Å; M805-L877 HydrophobicContact SD-CD2 4.27Å; M805-L884 HydrophobicContact CG-CD1 4.13Å; M805-L884 HydrophobicContact SD-CD1 3.88Å; M805-L884 HydrophobicContact SD-CD2 4.01Å; M805-L884 HydrophobicContact SD-CG 4.41Å |
| 806 | L | 84.6 | Confident | 81.7 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.2 | -75.5 | 177.3 | 0 | 0 | 0 | 111.3 | F790 I802 C803 I808 L809 F810 L838 | F790-L806 HydrophobicContact CE2-CD2 4.26Å; I802-L806 HydrophobicContact CG2-CD1 4.02Å; I802-L806 HydrophobicContact CG2-CG 4.37Å; I802-L806 WeakPolarHBondContact O-CB 3.29Å; I802-L806 VanDerWaalsContact O-CG 3.3Å; I802-L806 WeakPolarHBondContact O-CG 3.35Å; I802-L806 PolarHBondContact O-N 2.88Å; C803-L806 PolarHBondContact O-N 2.9Å; L806-I808 PolarHBondContact O-N 3.35Å; L806-L809 CarbonylContact O-C 3.59Å; L806-L809 PolarHBondContact O-N 2.94Å; L806-F810 HydrophobicContact CB-CD2 3.96Å; L806-F810 HydrophobicContact CB-CE2 3.79Å; L806-F810 HydrophobicContact CD2-CE2 3.94Å; L806-F810 HydrophobicContact CD2-CZ 4.42Å; L806-F810 HydrophobicContact CG-CE2 4.29Å; L806-F810 WeakPolarHBondContact O-CB 3.34Å; L806-F810 WeakPolarHBondContact O-CD2 3.07Å; L806-F810 WeakPolarHBondContact O-CG 3.29Å; L806-F810 PolarHBondContact O-N 2.97Å; L806-L838 HydrophobicContact CD2-CD1 4.27Å |
| 807 | D | 80.1 | Confident | 81.2 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 179.1 | -172.4 | 52.2 | 0 | 0 | 0 | 112.8 | C803 K804 L809 F810 T811 | C803-D807 WeakPolarHBondContact O-CB 3.38Å; C803-D807 PolarHBondContact O-N 3.35Å; K804-D807 PolarHBondContact O-N 2.83Å; D807-L809 VanDerWaalsContact C-N 3.31Å; D807-L809 PolarHBondContact O-N 3.17Å; D807-F810 PolarHBondContact O-N 2.62Å; D807-T811 VanDerWaalsContact O-CB 3.28Å; D807-T811 WeakPolarHBondContact O-CB 3.2Å; D807-T811 PolarHBondContact O-N 3.13Å; D807-T811 PolarHBondContact O-OG1 3.28Å |
| 808 | I | 83 | Confident | 80.5 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.5 | -67.8 | 166.4 | 0 | 0 | 0 | 110.6 | K804 L806 G812 L872 F874 F876 | K804-I808 WeakPolarHBondContact O-CG1 3.42Å; K804-I808 PolarHBondContact O-N 3.17Å; K804-I808 VanDerWaalsContact O-N 3.09Å; L806-I808 PolarHBondContact O-N 3.35Å; I808-G812 PolarHBondContact O-N 3.32Å; I808-L872 HydrophobicContact CG2-CD1 4.44Å; I808-L872 HydrophobicContact CG2-CD2 4.01Å; I808-F874 HydrophobicContact CB-CE1 4.28Å; I808-F874 HydrophobicContact CD1-CE1 4.42Å; I808-F874 HydrophobicContact CG2-CE1 4.14Å; I808-F876 HydrophobicContact CD1-CE1 3.98Å; I808-F876 HydrophobicContact CD1-CZ 4.15Å |
| 809 | L | 82.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -54.2 | -180 | -175 | 118.5 | 0 | 0 | 0 | 110.1 | M805 L806 D807 T811 G812 Y813 L838 F839 V869 L884 | M805-L809 VanDerWaalsContact O-CB 3.29Å; M805-L809 WeakPolarHBondContact O-CB 3.49Å; M805-L809 PolarHBondContact O-N 3.21Å; L806-L809 CarbonylContact O-C 3.59Å; L806-L809 PolarHBondContact O-N 2.94Å; D807-L809 VanDerWaalsContact C-N 3.31Å; D807-L809 PolarHBondContact O-N 3.17Å; L809-T811 PolarHBondContact O-N 2.96Å; L809-G812 WeakPolarHBondContact O-CA 3.19Å; L809-G812 PolarHBondContact O-N 3.42Å; L809-Y813 HydrophobicContact CD1-CE2 4.1Å; L809-Y813 HydrophobicContact CD2-CD2 3.92Å; L809-Y813 HydrophobicContact CD2-CE2 3.59Å; L809-Y813 HydrophobicContact CG-CD2 3.89Å; L809-Y813 HydrophobicContact CG-CE2 3.61Å; L809-Y813 VanDerWaalsContact O-CD2 3.24Å; L809-Y813 WeakPolarHBondContact O-CD2 3.39Å; L809-Y813 PolarHBondContact O-N 3.16Å; L809-L838 HydrophobicContact CD2-CD1 4.06Å; L809-L838 HydrophobicContact CD2-CD2 3.53Å; L809-L838 HydrophobicContact CD2-CG 4.03Å; L809-F839 HydrophobicContact CD2-CE2 4.1Å; L809-V869 HydrophobicContact CD1-CG2 4.33Å; L809-L884 HydrophobicContact CD1-CD1 4.02Å |
| 810 | F | 79.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 18% | 0.184 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 178.3 | -75.4 | -61.1 | 0 | 0 | 0 | 112.1 | L806 D807 G812 Y813 D814 F839 | L806-F810 HydrophobicContact CB-CD2 3.96Å; L806-F810 HydrophobicContact CB-CE2 3.79Å; L806-F810 HydrophobicContact CD2-CE2 3.94Å; L806-F810 HydrophobicContact CD2-CZ 4.42Å; L806-F810 HydrophobicContact CG-CE2 4.29Å; L806-F810 WeakPolarHBondContact O-CB 3.34Å; L806-F810 WeakPolarHBondContact O-CD2 3.07Å; L806-F810 WeakPolarHBondContact O-CG 3.29Å; L806-F810 PolarHBondContact O-N 2.97Å; D807-F810 PolarHBondContact O-N 2.62Å; F810-G812 VanDerWaalsContact C-N 3.28Å; F810-G812 PolarHBondContact O-N 2.87Å; F810-Y813 PolarHBondContact O-N 3.21Å; F810-Y813 VanDerWaalsContact O-N 3.14Å; F810-D814 PolarHBondContact O-N 3.15Å; F810-F839 AromaticContact CD1-CE1 3.63Å; F810-F839 HydrophobicContact CD1-CE1 3.63Å; F810-F839 AromaticContact CD1-CE2 3.97Å; F810-F839 HydrophobicContact CD1-CE2 3.97Å; F810-F839 AromaticContact CD1-CZ 3.12Å; F810-F839 HydrophobicContact CD1-CZ 3.12Å; F810-F839 AromaticContact CE1-CE1 3.69Å; F810-F839 HydrophobicContact CE1-CE1 3.69Å; F810-F839 AromaticContact CE1-CE2 3.73Å; F810-F839 HydrophobicContact CE1-CE2 3.73Å; F810-F839 AromaticContact CE1-CZ 3.24Å; F810-F839 HydrophobicContact CE1-CZ 3.24Å; F810-F839 HydrophobicContact CG-CZ 4.28Å |
| 811 | T | 77.4 | Confident | 78.4 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | D807 L809 S815 | D807-T811 VanDerWaalsContact O-CB 3.28Å; D807-T811 WeakPolarHBondContact O-CB 3.2Å; D807-T811 PolarHBondContact O-N 3.13Å; D807-T811 PolarHBondContact O-OG1 3.28Å; L809-T811 PolarHBondContact O-N 2.96Å; T811-S815 WeakPolarHBondContact O-CB 3.5Å; T811-S815 PolarHBondContact O-N 3.32Å |
| 812 | G | 78 | Confident | 77.7 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I808 L809 F810 S815 I816 | I808-G812 PolarHBondContact O-N 3.32Å; L809-G812 WeakPolarHBondContact O-CA 3.19Å; L809-G812 PolarHBondContact O-N 3.42Å; F810-G812 VanDerWaalsContact C-N 3.28Å; F810-G812 PolarHBondContact O-N 2.87Å; G812-S815 PolarHBondContact O-N 2.88Å; G812-S815 PolarHBondContact O-OG 3.33Å; G812-I816 PolarHBondContact O-N 3.5Å |
| 813 | Y | 80.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 174.8 | -84.8 | -92.5 | 0 | 0 | 0 | 111.8 | L809 F810 S815 I816 L817 L838 F839 V865 M868 | L809-Y813 HydrophobicContact CD1-CE2 4.1Å; L809-Y813 HydrophobicContact CD2-CD2 3.92Å; L809-Y813 HydrophobicContact CD2-CE2 3.59Å; L809-Y813 HydrophobicContact CG-CD2 3.89Å; L809-Y813 HydrophobicContact CG-CE2 3.61Å; L809-Y813 VanDerWaalsContact O-CD2 3.24Å; L809-Y813 WeakPolarHBondContact O-CD2 3.39Å; L809-Y813 PolarHBondContact O-N 3.16Å; F810-Y813 PolarHBondContact O-N 3.21Å; F810-Y813 VanDerWaalsContact O-N 3.14Å; Y813-S815 PolarHBondContact O-N 3.13Å; Y813-I816 WeakPolarHBondContact O-CB 3.17Å; Y813-I816 PolarHBondContact O-N 2.93Å; Y813-L817 WeakPolarHBondContact O-CG 3.36Å; Y813-L817 PolarHBondContact O-N 3.35Å; Y813-L838 HydrophobicContact CE2-CD2 4.2Å; Y813-F839 AromaticContact CD1-CD2 3.99Å; Y813-F839 HydrophobicContact CD1-CD2 3.99Å; Y813-F839 HydrophobicContact CD1-CE1 4.35Å; Y813-F839 AromaticContact CD1-CE2 3.73Å; Y813-F839 HydrophobicContact CD1-CE2 3.73Å; Y813-F839 HydrophobicContact CD1-CG 4.4Å; Y813-F839 AromaticContact CD1-CZ 3.87Å; Y813-F839 HydrophobicContact CD1-CZ 3.87Å; Y813-F839 HydrophobicContact CD2-CD2 4.31Å; Y813-F839 AromaticContact CD2-CE2 3.37Å; Y813-F839 HydrophobicContact CD2-CE2 3.37Å; Y813-F839 AromaticContact CD2-CZ 3.56Å; Y813-F839 HydrophobicContact CD2-CZ 3.56Å; Y813-F839 AromaticContact CE1-CD2 3.73Å; Y813-F839 HydrophobicContact CE1-CD2 3.73Å; Y813-F839 AromaticContact CE1-CE2 3.76Å; Y813-F839 HydrophobicContact CE1-CE2 3.76Å; Y813-F839 HydrophobicContact CE1-CG 4.38Å; Y813-F839 HydrophobicContact CE1-CZ 4.37Å; Y813-F839 HydrophobicContact CE2-CD2 4.17Å; Y813-F839 AromaticContact CE2-CE2 3.5Å; Y813-F839 HydrophobicContact CE2-CE2 3.5Å; Y813-F839 VanDerWaalsContact CE2-CE2 3.5Å; Y813-F839 HydrophobicContact CE2-CZ 4.17Å; Y813-F839 HydrophobicContact CG-CD2 4.26Å; Y813-F839 HydrophobicContact CG-CE1 4.15Å; Y813-F839 AromaticContact CG-CE2 3.52Å; Y813-F839 HydrophobicContact CG-CE2 3.52Å; Y813-F839 AromaticContact CG-CZ 3.41Å; Y813-F839 HydrophobicContact CG-CZ 3.41Å; Y813-F839 VanDerWaalsContact CG-CZ 3.41Å; Y813-F839 AromaticContact CZ-CD2 3.84Å; Y813-F839 AromaticContact CZ-CE2 3.66Å; Y813-V865 HydrophobicContact CD1-CG1 4.22Å; Y813-V865 HydrophobicContact CD1-CG2 3.83Å; Y813-V865 HydrophobicContact CE1-CB 4.17Å; Y813-V865 HydrophobicContact CE1-CG1 3.31Å; Y813-V865 HydrophobicContact CE1-CG2 3.69Å; Y813-V865 HydrophobicContact CE2-CG1 4.3Å; Y813-V865 VanDerWaalsContact OH-CG1 3.24Å; Y813-V865 WeakPolarHBondContact OH-CG1 3.17Å; Y813-M868 HydrophobicContact CD2-CE 3.74Å; Y813-M868 HydrophobicContact CE2-CE 3.84Å; Y813-M868 HydrophobicContact CG-CE 4.2Å |
| 814 | D | 72.3 | Confident | 76.7 | Confident | 90 Ų | 90 | 52 Ų | 52 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -36.8 | -179.2 | -71.8 | -16.3 | 0 | 0 | 0 | 111.6 | F810 I816 L817 S818 | F810-D814 PolarHBondContact O-N 3.15Å; D814-I816 PolarHBondContact O-N 3.43Å; D814-L817 PolarHBondContact O-N 3.31Å; D814-S818 PolarHBondContact O-N 3.03Å; D814-S818 VanDerWaalsContact O-N 3.08Å |
| 815 | S | 77.6 | Confident | 75.9 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.9 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | T811 G812 Y813 S818 Y819 | T811-S815 WeakPolarHBondContact O-CB 3.5Å; T811-S815 PolarHBondContact O-N 3.32Å; G812-S815 PolarHBondContact O-N 2.88Å; G812-S815 PolarHBondContact O-OG 3.33Å; Y813-S815 PolarHBondContact O-N 3.13Å; S815-S818 PolarHBondContact O-OG 2.85Å; S815-Y819 WeakPolarHBondContact O-CD2 3.32Å; S815-Y819 WeakPolarHBondContact O-CE2 3.42Å |
| 816 | I | 77.5 | Confident | 74.7 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 177.7 | -67.9 | 166.9 | 0 | 0 | 0 | 110.2 | G812 Y813 D814 S818 Y819 Y820 V861 Q864 V865 M868 | G812-I816 PolarHBondContact O-N 3.5Å; Y813-I816 WeakPolarHBondContact O-CB 3.17Å; Y813-I816 PolarHBondContact O-N 2.93Å; D814-I816 PolarHBondContact O-N 3.43Å; I816-S818 PolarHBondContact O-N 2.8Å; I816-Y819 PolarHBondContact O-N 3.35Å; I816-Y820 HydrophobicContact CG2-CD2 4.39Å; I816-Y820 HydrophobicContact CG2-CE2 4.18Å; I816-Y820 VanDerWaalsContact O-CD2 3.28Å; I816-Y820 WeakPolarHBondContact O-CD2 3.49Å; I816-V861 HydrophobicContact CG2-CG1 4.24Å; I816-V861 HydrophobicContact CG2-CG2 4.36Å; I816-Q864 HydrophobicContact CD1-CB 4.15Å; I816-Q864 HydrophobicContact CG1-CB 4.47Å; I816-Q864 HydrophobicContact CG2-CB 4.14Å; I816-V865 HydrophobicContact CD1-CG2 3.91Å; I816-V865 HydrophobicContact CG2-CG2 4.44Å; I816-M868 HydrophobicContact CD1-CB 3.98Å; I816-M868 HydrophobicContact CD1-CE 4.04Å; I816-M868 HydrophobicContact CD1-CG 4.3Å |
| 817 | L | 74.3 | Confident | 73.2 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -31.2 | -178.1 | -68.8 | 175.1 | 0 | 0 | 0 | 112.7 | Y813 D814 Y819 Y820 V822 P824 L841 V861 | Y813-L817 WeakPolarHBondContact O-CG 3.36Å; Y813-L817 PolarHBondContact O-N 3.35Å; D814-L817 PolarHBondContact O-N 3.31Å; L817-Y819 PolarHBondContact O-N 3.33Å; L817-Y819 VanDerWaalsContact O-N 3.08Å; L817-Y820 PolarHBondContact O-N 3.48Å; L817-Y820 VanDerWaalsContact O-N 3.17Å; L817-Y820 VanDerWaalsContact O-O 3.11Å; L817-V822 HydrophobicContact CD2-CB 4.07Å; L817-V822 HydrophobicContact CD2-CG1 3.81Å; L817-P824 HydrophobicContact CD1-CB 4.39Å; L817-L841 HydrophobicContact CD1-CD2 3.86Å; L817-L841 HydrophobicContact CD2-CD1 3.77Å; L817-L841 HydrophobicContact CD2-CD2 3.82Å; L817-L841 HydrophobicContact CD2-CG 4.41Å; L817-L841 HydrophobicContact CG-CD2 4.5Å; L817-V861 HydrophobicContact CD2-CG1 4.36Å |
| 818 | S | 69.6 | Low | 71.7 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -23.7 | 179.5 | 76.4 | 0 | 0 | 0 | 0 | 114.4 | D814 S815 I816 | D814-S818 PolarHBondContact O-N 3.03Å; D814-S818 VanDerWaalsContact O-N 3.08Å; S815-S818 PolarHBondContact O-OG 2.85Å; I816-S818 PolarHBondContact O-N 2.8Å |
| 819 | Y | 72.6 | Confident | 69.6 | Low | 120 Ų | 120 | 56.4 Ų | 56.4 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.3 | -177.5 | -62.4 | -76.3 | 0 | 0 | 0 | 114.3 | S815 I816 L817 | S815-Y819 WeakPolarHBondContact O-CD2 3.32Å; S815-Y819 WeakPolarHBondContact O-CE2 3.42Å; I816-Y819 PolarHBondContact O-N 3.35Å; L817-Y819 PolarHBondContact O-N 3.33Å; L817-Y819 VanDerWaalsContact O-N 3.08Å |
| 820 | Y | 71.9 | Confident | 67.3 | Low | 46 Ų | 46 | 62.6 Ų | 62.6 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 156.6 | -172.8 | -60.7 | -78.4 | 0 | 0 | 0 | 111.9 | I816 L817 V822 E857 M860 V861 Q864 | I816-Y820 HydrophobicContact CG2-CD2 4.39Å; I816-Y820 HydrophobicContact CG2-CE2 4.18Å; I816-Y820 VanDerWaalsContact O-CD2 3.28Å; I816-Y820 WeakPolarHBondContact O-CD2 3.49Å; L817-Y820 PolarHBondContact O-N 3.48Å; L817-Y820 VanDerWaalsContact O-N 3.17Å; L817-Y820 VanDerWaalsContact O-O 3.11Å; Y820-V822 PolarHBondContact O-N 3.42Å; Y820-E857 HydrophobicContact CD1-CB 4.16Å; Y820-E857 HydrophobicContact CD1-CG 4.15Å; Y820-M860 HydrophobicContact CE1-CB 3.85Å; Y820-V861 HydrophobicContact CD1-CG2 4.37Å; Y820-V861 HydrophobicContact CD2-CG2 3.3Å; Y820-V861 HydrophobicContact CE2-CG2 3.83Å; Y820-V861 HydrophobicContact CG-CG2 3.62Å; Y820-Q864 VanDerWaalsContact OH-CD 3.29Å; Y820-Q864 PolarHBondContact OH-NE2 3.01Å; Y820-Q864 PolarHBondContact OH-OE1 2.94Å |
| 821 | Q | 68.1 | Low | 64.7 | Low | 124 Ų | 124 | 64.1 Ų | 64.1 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 55.8 | 172.7 | -60.9 | -166.3 | 1.6 | 0 | 0 | 110.7 | S843 L849 E857 | Q821-S843 PolarHBondContact O-OG 3.3Å; Q821-L849 VanDerWaalsContact OE1-CD1 3.22Å; Q821-E857 WeakPolarHBondContact CB-OE2 3.43Å; Q821-E857 PolarHBondContact N-OE2 2.96Å |
| 822 | V | 71.5 | Confident | 62.6 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127 | -179.1 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | L817 Y820 L841 E857 M858 V861 | L817-V822 HydrophobicContact CD2-CB 4.07Å; L817-V822 HydrophobicContact CD2-CG1 3.81Å; Y820-V822 PolarHBondContact O-N 3.42Å; V822-L841 HydrophobicContact CG1-CB 3.7Å; V822-L841 HydrophobicContact CG1-CD1 4.16Å; V822-L841 HydrophobicContact CG1-CD2 4.41Å; V822-L841 HydrophobicContact CG1-CG 4.31Å; V822-E857 HydrophobicContact CG2-CB 4.49Å; V822-M858 HydrophobicContact CG1-CE 3.76Å; V822-M858 HydrophobicContact CG1-SD 4.09Å; V822-M858 HydrophobicContact CG2-CE 4.39Å; V822-M858 HydrophobicContact CG2-SD 4.49Å; V822-V861 HydrophobicContact CG2-CG2 4.1Å |
| 823 | Y | 73.7 | Confident | 60.2 | Low | 25 Ų | 25 | 76.4 Ų | 76.4 | 10% | 0.098 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.8 | -178.1 | 175.3 | -95.2 | 0 | 0 | 0 | 110.3 | L757 F758 P759 V825 A842 L845 F909 | L757-Y823 PolarHBondContact O-OH 3.27Å; F758-Y823 VanDerWaalsContact CA-OH 3.26Å; F758-Y823 WeakPolarHBondContact CA-OH 3.33Å; F758-Y823 PolarHBondContact N-OH 3.15Å; P759-Y823 VanDerWaalsContact CD-CZ 3.43Å; P759-Y823 HydrophobicContact CG-CD1 3.77Å; P759-Y823 HydrophobicContact CG-CD2 4.35Å; P759-Y823 HydrophobicContact CG-CE1 3.6Å; P759-Y823 HydrophobicContact CG-CE2 4.24Å; P759-Y823 HydrophobicContact CG-CG 4.14Å; Y823-V825 HydrophobicContact CD1-CG2 4.1Å; Y823-V825 HydrophobicContact CE1-CG2 4.36Å; Y823-V825 PolarHBondContact O-N 2.94Å; Y823-A842 PolarHBondContact N-O 3.33Å; Y823-A842 PolarHBondContact O-N 3.02Å; Y823-L845 HydrophobicContact CD1-CD1 3.66Å; Y823-L845 HydrophobicContact CG-CD1 4.16Å; Y823-F909 HydrophobicContact CE1-CD1 4.1Å |
| 824 | P | 70.5 | Confident | 57.8 | Low | 48 Ų | 48 | 84.2 Ų | 84.2 | 31% | 0.312 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111 | 171.9 | 30 | -31.8 | 0 | 0 | 0 | 109.7 | L817 L841 | L817-P824 HydrophobicContact CD1-CB 4.39Å; P824-L841 HydrophobicContact CB-CD2 3.98Å |
| 825 | V | 66 | Low | 56 | Low | 5 Ų | 5 | 84.3 Ų | 84.3 | 3% | 0.03 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.9 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | Y823 R827 Q840 A842 F909 L911 | Y823-V825 HydrophobicContact CD1-CG2 4.1Å; Y823-V825 HydrophobicContact CE1-CG2 4.36Å; Y823-V825 PolarHBondContact O-N 2.94Å; V825-R827 PolarHBondContact O-N 2.94Å; V825-Q840 HydrophobicContact CB-CB 4.31Å; V825-Q840 HydrophobicContact CB-CG 4.08Å; V825-Q840 PolarHBondContact N-O 2.69Å; V825-A842 HydrophobicContact CG2-CB 3.59Å; V825-F909 HydrophobicContact CG1-CD1 4.22Å; V825-F909 VanDerWaalsContact CG1-O 3.27Å; V825-F909 WeakPolarHBondContact CG1-O 3.39Å; V825-F909 HydrophobicContact CG2-CD1 4.48Å; V825-L911 HydrophobicContact CG1-CG 4.19Å; V825-L911 HydrophobicContact CG2-CD1 3.8Å; V825-L911 HydrophobicContact CG2-CG 4.16Å |
| 826 | T | 58.6 | Low | 54.5 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | trans | -46.8 | 137.9 | -173.2 | -2.9 | 0 | 0 | 0 | 0 | 112.8 | I828 Q908 F909 | T826-I828 PolarHBondContact O-N 3.32Å; T826-Q908 HydrophobicContact CG2-CG 4.37Å; T826-F909 PolarHBondContact OG1-N 3.4Å; T826-F909 PolarHBondContact OG1-O 3.39Å | ||
| 827 | R | 53.3 | Low | 53.1 | Low | 175 Ų | 175 | 91 Ų | 91 | 66% | 0.66 | 46% | 0.461 | S | S | * | . | trans | -58.2 | 115.6 | -179.1 | -65.4 | 176.8 | -75.7 | -171.3 | -3.1 | 109.9 | V825 G829 | V825-R827 PolarHBondContact O-N 2.94Å; R827-G829 PolarHBondContact O-N 2.89Å; R827-G829 VanDerWaalsContact O-N 3.15Å | ||
| 828 | I | 47.8 | Very low | 52 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 55% | 0.554 | 46% | 0.462 | S | S | * | . | trans | -65.7 | 114 | 169.2 | -61.7 | 170.3 | 0 | 0 | 0 | 107.3 | T826 | T826-I828 PolarHBondContact O-N 3.32Š| ||
| 829 | G | 38.2 | Very low | 51.4 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 64% | 0.639 | 44% | 0.436 | S | S | * | . | trans | -173.9 | 46.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R827 | R827-G829 PolarHBondContact O-N 2.89Å; R827-G829 VanDerWaalsContact O-N 3.15Å | ||
| 830 | D | 34.1 | Very low | 50.9 | Low | 133 Ų | 133 | 82.6 Ų | 82.6 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | trans | -104.9 | 11.7 | -179.2 | -100 | -0.5 | 0 | 0 | 0 | 114.3 | Q908 | D830-Q908 PolarHBondContact OD1-NE2 3.45Å; D830-Q908 PolarHBondContact OD2-NE2 3.35Å | ||
| 831 | A | 25.8 | Very low | 50.8 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -132.2 | 138.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V833 | A831-V833 PolarHBondContact O-N 2.85Š|
| 832 | Y | 32.8 | Very low | 51 | Low | 253 Ų | 253 | 74.6 Ų | 74.6 | 99% | 0.992 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -54.3 | 9.3 | 170.6 | -92 | -94.7 | 0 | 0 | 0 | 114.7 | ||
| 833 | V | 28.9 | Very low | 50.9 | Low | 101 Ų | 101 | 74 Ų | 74 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -140.5 | 106.6 | -176.1 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | A831 | A831-V833 PolarHBondContact O-N 2.85Š|
| 834 | F | 28.2 | Very low | 50.4 | Low | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | trans | 122.4 | 67.5 | 168.3 | -69.3 | -69.8 | 0 | 0 | 0 | 114.7 | Y836 | F834-Y836 HydrophobicContact CB-CD2 4.45Å; F834-Y836 AromaticContact CD1-CD2 3.91Å; F834-Y836 HydrophobicContact CD1-CD2 3.91Å; F834-Y836 HydrophobicContact CD1-CE2 4.11Å; F834-Y836 PolarHBondContact O-N 3Å | ||
| 835 | P | 35.6 | Very low | 50.1 | Low | 92 Ų | 92 | 71.1 Ų | 71.1 | 60% | 0.597 | 36% | 0.362 | S | S | * | . | trans | -77.8 | 27.6 | 176.9 | 29.1 | -25.4 | 0 | 0 | 0 | 114.8 | ||||
| 836 | Y | 45.3 | Very low | 49.7 | Very low | 112 Ų | 112 | 73 Ų | 73 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | trans | -105.1 | 21.2 | -166.4 | -55.7 | -85.3 | 0 | 0 | 0 | 115.6 | T791 F834 | T791-Y836 WeakPolarHBondContact OG1-CE1 3.47Å; F834-Y836 HydrophobicContact CB-CD2 4.45Å; F834-Y836 AromaticContact CD1-CD2 3.91Å; F834-Y836 HydrophobicContact CD1-CD2 3.91Å; F834-Y836 HydrophobicContact CD1-CE2 4.11Å; F834-Y836 PolarHBondContact O-N 3Å | ||
| 837 | R | 48.9 | Very low | 49.6 | Very low | 100 Ų | 100 | 73.4 Ų | 73.4 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | trans | -141.9 | 137.7 | -179 | -72.5 | -165.6 | 179.8 | 139 | 19.8 | 114.8 | E923 | R837-E923 IonicContact NE-OE2 2.86Å; R837-E923 PolarHBondContact NE-OE2 3.45Å | ||
| 838 | L | 50.4 | Low | 49.9 | Very low | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | trans | -98.5 | -48.6 | -167.3 | -154 | 71.3 | 0 | 0 | 0 | 112.9 | S785 I787 L806 L809 Y813 | S785-L838 WeakPolarHBondContact O-CB 3.41Å; S785-L838 PolarHBondContact O-N 3.25Å; S785-L838 VanDerWaalsContact O-N 3.1Å; I787-L838 HydrophobicContact CD1-CD1 3.42Å; I787-L838 VanDerWaalsContact CD1-CD1 3.42Å; I787-L838 HydrophobicContact CD1-CD2 3.85Å; I787-L838 HydrophobicContact CD1-CG 4.25Å; I787-L838 HydrophobicContact CG1-CD1 3.81Å; I787-L838 HydrophobicContact CG1-CD2 3.58Å; I787-L838 HydrophobicContact CG1-CG 4.22Å; L806-L838 HydrophobicContact CD2-CD1 4.27Å; L809-L838 HydrophobicContact CD2-CD1 4.06Å; L809-L838 HydrophobicContact CD2-CD2 3.53Å; L809-L838 HydrophobicContact CD2-CG 4.03Å; Y813-L838 HydrophobicContact CE2-CD2 4.2Å | ||
| 839 | F | 57.7 | Low | 50.6 | Low | 20 Ų | 20 | 67.6 Ų | 67.6 | 9% | 0.088 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 140.1 | -176.2 | -68.7 | -90 | 0 | 0 | 0 | 113.5 | F784 S785 L809 F810 Y813 | F784-F839 WeakPolarHBondContact CA-O 3.45Å; S785-F839 PolarHBondContact N-O 3.15Å; L809-F839 HydrophobicContact CD2-CE2 4.1Å; F810-F839 AromaticContact CD1-CE1 3.63Å; F810-F839 HydrophobicContact CD1-CE1 3.63Å; F810-F839 AromaticContact CD1-CE2 3.97Å; F810-F839 HydrophobicContact CD1-CE2 3.97Å; F810-F839 AromaticContact CD1-CZ 3.12Å; F810-F839 HydrophobicContact CD1-CZ 3.12Å; F810-F839 AromaticContact CE1-CE1 3.69Å; F810-F839 HydrophobicContact CE1-CE1 3.69Å; F810-F839 AromaticContact CE1-CE2 3.73Å; F810-F839 HydrophobicContact CE1-CE2 3.73Å; F810-F839 AromaticContact CE1-CZ 3.24Å; F810-F839 HydrophobicContact CE1-CZ 3.24Å; F810-F839 HydrophobicContact CG-CZ 4.28Å; Y813-F839 AromaticContact CD1-CD2 3.99Å; Y813-F839 HydrophobicContact CD1-CD2 3.99Å; Y813-F839 HydrophobicContact CD1-CE1 4.35Å; Y813-F839 AromaticContact CD1-CE2 3.73Å; Y813-F839 HydrophobicContact CD1-CE2 3.73Å; Y813-F839 HydrophobicContact CD1-CG 4.4Å; Y813-F839 AromaticContact CD1-CZ 3.87Å; Y813-F839 HydrophobicContact CD1-CZ 3.87Å; Y813-F839 HydrophobicContact CD2-CD2 4.31Å; Y813-F839 AromaticContact CD2-CE2 3.37Å; Y813-F839 HydrophobicContact CD2-CE2 3.37Å; Y813-F839 AromaticContact CD2-CZ 3.56Å; Y813-F839 HydrophobicContact CD2-CZ 3.56Å; Y813-F839 AromaticContact CE1-CD2 3.73Å; Y813-F839 HydrophobicContact CE1-CD2 3.73Å; Y813-F839 AromaticContact CE1-CE2 3.76Å; Y813-F839 HydrophobicContact CE1-CE2 3.76Å; Y813-F839 HydrophobicContact CE1-CG 4.38Å; Y813-F839 HydrophobicContact CE1-CZ 4.37Å; Y813-F839 HydrophobicContact CE2-CD2 4.17Å; Y813-F839 AromaticContact CE2-CE2 3.5Å; Y813-F839 HydrophobicContact CE2-CE2 3.5Å; Y813-F839 VanDerWaalsContact CE2-CE2 3.5Å; Y813-F839 HydrophobicContact CE2-CZ 4.17Å; Y813-F839 HydrophobicContact CG-CD2 4.26Å; Y813-F839 HydrophobicContact CG-CE1 4.15Å; Y813-F839 AromaticContact CG-CE2 3.52Å; Y813-F839 HydrophobicContact CG-CE2 3.52Å; Y813-F839 AromaticContact CG-CZ 3.41Å; Y813-F839 HydrophobicContact CG-CZ 3.41Å; Y813-F839 VanDerWaalsContact CG-CZ 3.41Å; Y813-F839 AromaticContact CZ-CD2 3.84Å; Y813-F839 AromaticContact CZ-CE2 3.66Å |
| 840 | Q | 62.6 | Low | 52.2 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.2 | 158.9 | -174.6 | 177.6 | 6.7 | 0 | 0 | 108.2 | I782 Y783 F784 V825 | I782-Q840 HydrophobicContact CG2-CG 4.11Å; Y783-Q840 WeakPolarHBondContact O-CA 3.47Å; F784-Q840 HydrophobicContact CD1-CB 4.24Å; F784-Q840 HydrophobicContact CD1-CG 4.45Å; F784-Q840 HydrophobicContact CE1-CB 3.68Å; F784-Q840 HydrophobicContact CE1-CG 3.71Å; F784-Q840 HydrophobicContact CZ-CB 4.28Å; F784-Q840 HydrophobicContact CZ-CG 3.79Å; V825-Q840 HydrophobicContact CB-CB 4.31Å; V825-Q840 HydrophobicContact CB-CG 4.08Å; V825-Q840 PolarHBondContact N-O 2.69Å |
| 841 | L | 69.8 | Low | 54.2 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.5 | 173.4 | -55.3 | 174 | 0 | 0 | 0 | 109.3 | I782 Y783 L817 V822 P824 M858 V861 | I782-L841 CarbonylContact C-O 3.41Å; I782-L841 VanDerWaalsContact CA-O 3.31Å; I782-L841 WeakPolarHBondContact CA-O 3.49Å; Y783-L841 HydrophobicContact CD1-CB 4.15Å; Y783-L841 HydrophobicContact CD1-CD1 3.54Å; Y783-L841 HydrophobicContact CD1-CG 3.83Å; Y783-L841 HydrophobicContact CE1-CD1 3.91Å; Y783-L841 HydrophobicContact CE1-CG 4.45Å; Y783-L841 HydrophobicContact CG-CD1 4.22Å; Y783-L841 PolarHBondContact N-O 2.94Å; Y783-L841 PolarHBondContact O-N 2.96Å; L817-L841 HydrophobicContact CD1-CD2 3.86Å; L817-L841 HydrophobicContact CD2-CD1 3.77Å; L817-L841 HydrophobicContact CD2-CD2 3.82Å; L817-L841 HydrophobicContact CD2-CG 4.41Å; L817-L841 HydrophobicContact CG-CD2 4.5Å; V822-L841 HydrophobicContact CG1-CB 3.7Å; V822-L841 HydrophobicContact CG1-CD1 4.16Å; V822-L841 HydrophobicContact CG1-CD2 4.41Å; V822-L841 HydrophobicContact CG1-CG 4.31Å; P824-L841 HydrophobicContact CB-CD2 3.98Å; L841-M858 HydrophobicContact CB-CE 3.87Å; L841-M858 HydrophobicContact CB-SD 4.13Å; L841-M858 HydrophobicContact CD1-SD 4.41Å; L841-V861 HydrophobicContact CD1-CG1 3.97Å |
| 842 | A | 70.5 | Confident | 56.5 | Low | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T780 T781 Y823 V825 L845 L911 | T780-A842 HydrophobicContact CG2-CB 4.1Å; T781-A842 WeakPolarHBondContact O-CA 3.48Å; Y823-A842 PolarHBondContact N-O 3.33Å; Y823-A842 PolarHBondContact O-N 3.02Å; V825-A842 HydrophobicContact CG2-CB 3.59Å; A842-L845 HydrophobicContact CB-CD1 3.99Å; A842-L845 HydrophobicContact CB-CG 4.26Å; A842-L911 HydrophobicContact CB-CD1 3.64Å |
| 843 | S | 70.5 | Confident | 58.6 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.8 | 166.2 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | T780 T781 Q821 Y854 | T780-S843 WeakPolarHBondContact CA-O 3.33Å; T780-S843 WeakPolarHBondContact CG2-O 3.29Å; T781-S843 PolarHBondContact N-O 3.39Å; T781-S843 PolarHBondContact O-N 3.4Å; Q821-S843 PolarHBondContact O-OG 3.3Å; S843-Y854 WeakPolarHBondContact OG-CB 3.32Å; S843-Y854 WeakPolarHBondContact OG-CD1 3.44Å |
| 844 | G | 63.5 | Low | 61 | Low | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | 112.7 | -1.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117 | G846 G847 Y854 | G844-G846 PolarHBondContact O-N 3.43Å; G844-G846 VanDerWaalsContact O-N 3.16Å; G844-G847 PolarHBondContact O-N 2.99Å; G844-Y854 VanDerWaalsContact CA-CZ 3.48Å | ||
| 845 | L | 62.7 | Low | 63.7 | Low | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.9 | -174.7 | -63.7 | 172.8 | 0 | 0 | 0 | 114.7 | P759 Y777 Y823 A842 F909 L911 | P759-L845 HydrophobicContact CB-CB 4.21Å; P759-L845 HydrophobicContact CB-CD1 4.19Å; P759-L845 HydrophobicContact CG-CD1 3.73Å; Y777-L845 HydrophobicContact CD1-CD2 4.01Å; Y777-L845 HydrophobicContact CD2-CD2 3.88Å; Y777-L845 HydrophobicContact CE1-CB 4.23Å; Y777-L845 HydrophobicContact CE1-CD2 3.81Å; Y777-L845 VanDerWaalsContact CE1-O 3.29Å; Y777-L845 WeakPolarHBondContact CE1-O 3.25Å; Y777-L845 HydrophobicContact CE2-CD2 3.68Å; Y777-L845 HydrophobicContact CG-CD2 4.04Å; Y823-L845 HydrophobicContact CD1-CD1 3.66Å; Y823-L845 HydrophobicContact CG-CD1 4.16Å; A842-L845 HydrophobicContact CB-CD1 3.99Å; A842-L845 HydrophobicContact CB-CG 4.26Å; L845-F909 HydrophobicContact CD1-CE1 3.92Å; L845-F909 HydrophobicContact CD2-CE1 4.19Å; L845-F909 HydrophobicContact CD2-CZ 4.19Å; L845-L911 HydrophobicContact CD2-CD2 4.21Å |
| 846 | G | 58.2 | Low | 65.9 | Low | 44 Ų | 44 | 38.9 Ų | 38.9 | 45% | 0.454 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -20.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G844 S848 | G844-G846 PolarHBondContact O-N 3.43Å; G844-G846 VanDerWaalsContact O-N 3.16Å; G846-S848 PolarHBondContact O-N 3.48Å; G846-S848 VanDerWaalsContact O-N 3.17Å |
| 847 | G | 57.4 | Low | 67.7 | Low | 61 Ų | 61 | 34.9 Ų | 34.9 | 63% | 0.629 | 20% | 0.203 | S | C | * | . | trans | 65.6 | 7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | G844 | G844-G847 PolarHBondContact O-N 2.99Š| ||
| 848 | S | 58.4 | Low | 69.4 | Low | 95 Ų | 95 | 30.1 Ų | 30.1 | 66% | 0.664 | 19% | 0.185 | S | C | * | . | trans | -94.6 | -15.5 | -173.2 | 55.6 | 0 | 0 | 0 | 0 | 115.3 | G846 Y854 | G846-S848 PolarHBondContact O-N 3.48Å; G846-S848 VanDerWaalsContact O-N 3.17Å; S848-Y854 PolarHBondContact N-OH 3.12Å | ||
| 849 | L | 63.8 | Low | 71.1 | Confident | 66 Ų | 66 | 29.2 Ų | 29.2 | 35% | 0.346 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -112.6 | 160.6 | -175.1 | -60.3 | 166.9 | 0 | 0 | 0 | 111.9 | Q821 V853 Y854 | Q821-L849 VanDerWaalsContact OE1-CD1 3.22Å; L849-V853 HydrophobicContact CB-CB 4.44Å; L849-V853 HydrophobicContact CD1-CG1 4.18Å; L849-Y854 HydrophobicContact CB-CE1 3.76Å; L849-Y854 HydrophobicContact CB-CE2 4.13Å; L849-Y854 WeakPolarHBondContact CB-OH 3.35Å; L849-Y854 HydrophobicContact CD1-CE1 3.81Å; L849-Y854 HydrophobicContact CG-CE1 4.24Å; L849-Y854 PolarHBondContact N-OH 3.46Å; L849-Y854 VanDerWaalsContact O-CE2 3.29Å; L849-Y854 WeakPolarHBondContact O-CE2 3.26Å |
| 850 | H | 72.1 | Confident | 72.3 | Confident | 120 Ų | 120 | 30 Ų | 30 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | trans | -66 | 141.6 | 175.2 | -171 | -97.3 | 0 | 0 | 0 | 111 | S852 V853 | H850-S852 WeakPolarHBondContact ND1-CB 3.28Å; H850-S852 PolarHBondContact ND1-N 2.89Å; H850-S852 PolarHBondContact ND1-OG 3.25Å; H850-S852 PolarHBondContact O-N 2.93Å; H850-S852 VanDerWaalsContact O-N 3.09Å; H850-V853 HydrophobicContact CB-CG2 4.37Å; H850-V853 WeakPolarHBondContact O-CB 3.43Å; H850-V853 PolarHBondContact O-N 3.22Å | ||
| 851 | P | 74.1 | Confident | 73.4 | Confident | 32 Ų | 32 | 29.6 Ų | 29.6 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -32 | -176.8 | -28.2 | 36.7 | 0 | 0 | 0 | 115.1 | S779 V853 Y854 A855 L940 | S779-P851 WeakPolarHBondContact OG-CG 3.38Å; P851-V853 VanDerWaalsContact C-N 3.28Å; P851-V853 PolarHBondContact O-N 3.29Å; P851-Y854 PolarHBondContact O-N 2.92Å; P851-A855 PolarHBondContact O-N 2.98Å; P851-L940 HydrophobicContact CB-CD1 4.29Å; P851-L940 HydrophobicContact CB-CD2 3.86Å |
| 852 | S | 75.8 | Confident | 74.2 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -29.5 | 177.5 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | H850 R856 L940 H944 | H850-S852 WeakPolarHBondContact ND1-CB 3.28Å; H850-S852 PolarHBondContact ND1-N 2.89Å; H850-S852 PolarHBondContact ND1-OG 3.25Å; H850-S852 PolarHBondContact O-N 2.93Å; H850-S852 VanDerWaalsContact O-N 3.09Å; S852-R856 VanDerWaalsContact O-CB 3.28Å; S852-R856 WeakPolarHBondContact O-CB 3.31Å; S852-R856 PolarHBondContact O-N 3.33Å; S852-L940 WeakPolarHBondContact CB-O 3.45Å; S852-H944 PolarHBondContact OG-NE2 2.85Å |
| 853 | V | 77.1 | Confident | 75.1 | Confident | 26 Ų | 26 | 31 Ų | 31 | 16% | 0.158 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.8 | -42.8 | 179 | -180 | 0 | 0 | 0 | 0 | 110.3 | L849 H850 P851 R856 E857 | L849-V853 HydrophobicContact CB-CB 4.44Å; L849-V853 HydrophobicContact CD1-CG1 4.18Å; H850-V853 HydrophobicContact CB-CG2 4.37Å; H850-V853 WeakPolarHBondContact O-CB 3.43Å; H850-V853 PolarHBondContact O-N 3.22Å; P851-V853 VanDerWaalsContact C-N 3.28Å; P851-V853 PolarHBondContact O-N 3.29Å; V853-R856 WeakPolarHBondContact O-CB 3.35Å; V853-R856 PolarHBondContact O-N 3.35Å; V853-E857 HydrophobicContact CG1-CG 4.48Å; V853-E857 WeakPolarHBondContact O-CG 3.25Å; V853-E857 PolarHBondContact O-N 3.39Å |
| 854 | Y | 79.2 | Confident | 75.8 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 176.4 | -60 | -46 | 0 | 0 | 0 | 111.8 | S843 G844 S848 L849 P851 R856 E857 M858 | S843-Y854 WeakPolarHBondContact OG-CB 3.32Å; S843-Y854 WeakPolarHBondContact OG-CD1 3.44Å; G844-Y854 VanDerWaalsContact CA-CZ 3.48Å; S848-Y854 PolarHBondContact N-OH 3.12Å; L849-Y854 HydrophobicContact CB-CE1 3.76Å; L849-Y854 HydrophobicContact CB-CE2 4.13Å; L849-Y854 WeakPolarHBondContact CB-OH 3.35Å; L849-Y854 HydrophobicContact CD1-CE1 3.81Å; L849-Y854 HydrophobicContact CG-CE1 4.24Å; L849-Y854 PolarHBondContact N-OH 3.46Å; L849-Y854 VanDerWaalsContact O-CE2 3.29Å; L849-Y854 WeakPolarHBondContact O-CE2 3.26Å; P851-Y854 PolarHBondContact O-N 2.92Å; Y854-R856 VanDerWaalsContact C-N 3.35Å; Y854-R856 PolarHBondContact O-N 2.64Å; Y854-E857 PolarHBondContact O-N 3.37Å; Y854-M858 WeakPolarHBondContact O-CB 3.46Å; Y854-M858 PolarHBondContact O-N 3.08Å |
| 855 | A | 83.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P851 A859 T937 L940 I941 | P851-A855 PolarHBondContact O-N 2.98Å; A855-A859 WeakPolarHBondContact O-CB 3.48Å; A855-A859 PolarHBondContact O-N 3.14Å; A855-T937 HydrophobicContact CB-CG2 4.33Å; A855-L940 HydrophobicContact CB-CB 3.83Å; A855-L940 HydrophobicContact CB-CD1 4.26Å; A855-I941 HydrophobicContact CB-CD1 4.34Å; A855-I941 HydrophobicContact CB-CG1 3.68Å |
| 856 | R | 82.9 | Confident | 78 | Confident | 81 Ų | 81 | 33.7 Ų | 33.7 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 176.1 | 177.9 | -173.1 | 72.2 | 170 | 3.5 | 112.5 | S852 V853 Y854 M858 A859 M860 F948 | S852-R856 VanDerWaalsContact O-CB 3.28Å; S852-R856 WeakPolarHBondContact O-CB 3.31Å; S852-R856 PolarHBondContact O-N 3.33Å; V853-R856 WeakPolarHBondContact O-CB 3.35Å; V853-R856 PolarHBondContact O-N 3.35Å; Y854-R856 VanDerWaalsContact C-N 3.35Å; Y854-R856 PolarHBondContact O-N 2.64Å; R856-M858 VanDerWaalsContact C-N 3.3Å; R856-M858 PolarHBondContact O-N 3.27Å; R856-A859 PolarHBondContact O-N 3.24Å; R856-M860 WeakPolarHBondContact O-CG 3.39Å; R856-M860 PolarHBondContact O-N 3.24Å; R856-F948 HydrophobicContact CG-CE2 3.89Å; R856-F948 HydrophobicContact CG-CZ 3.92Å |
| 857 | E | 82.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.8 | -73.5 | -176.2 | -170.1 | 0 | 0 | 110.9 | Y820 Q821 V822 V853 Y854 A859 M860 V861 | Y820-E857 HydrophobicContact CD1-CB 4.16Å; Y820-E857 HydrophobicContact CD1-CG 4.15Å; Q821-E857 WeakPolarHBondContact CB-OE2 3.43Å; Q821-E857 PolarHBondContact N-OE2 2.96Å; V822-E857 HydrophobicContact CG2-CB 4.49Å; V853-E857 HydrophobicContact CG1-CG 4.48Å; V853-E857 WeakPolarHBondContact O-CG 3.25Å; V853-E857 PolarHBondContact O-N 3.39Å; Y854-E857 PolarHBondContact O-N 3.37Å; E857-A859 PolarHBondContact O-N 3.26Å; E857-M860 PolarHBondContact O-N 3.17Å; E857-V861 WeakPolarHBondContact O-CG2 3.48Å; E857-V861 PolarHBondContact O-N 3.42Å |
| 858 | M | 84.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.3 | -164.3 | 63.6 | 81.1 | 0 | 0 | 112.7 | T781 Y783 V822 L841 Y854 R856 M860 V861 A862 I890 | T781-M858 HydrophobicContact CG2-CB 3.77Å; T781-M858 HydrophobicContact CG2-CG 3.88Å; T781-M858 WeakPolarHBondContact O-CE 3.25Å; Y783-M858 WeakPolarHBondContact CB-SD 3.24Å; Y783-M858 HydrophobicContact CG-SD 4.06Å; V822-M858 HydrophobicContact CG1-CE 3.76Å; V822-M858 HydrophobicContact CG1-SD 4.09Å; V822-M858 HydrophobicContact CG2-CE 4.39Å; V822-M858 HydrophobicContact CG2-SD 4.49Å; L841-M858 HydrophobicContact CB-CE 3.87Å; L841-M858 HydrophobicContact CB-SD 4.13Å; L841-M858 HydrophobicContact CD1-SD 4.41Å; Y854-M858 WeakPolarHBondContact O-CB 3.46Å; Y854-M858 PolarHBondContact O-N 3.08Å; R856-M858 VanDerWaalsContact C-N 3.3Å; R856-M858 PolarHBondContact O-N 3.27Å; M858-M860 VanDerWaalsContact C-N 3.33Å; M858-M860 PolarHBondContact O-N 3.43Å; M858-V861 PolarHBondContact O-N 2.97Å; M858-A862 WeakPolarHBondContact O-CB 3.38Å; M858-A862 PolarHBondContact O-N 3.24Å; M858-I890 HydrophobicContact CG-CD1 4.4Å; M858-I890 HydrophobicContact CG-CG2 4.13Å |
| 859 | A | 85.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A855 R856 E857 A862 L863 I941 F948 L969 | A855-A859 WeakPolarHBondContact O-CB 3.48Å; A855-A859 PolarHBondContact O-N 3.14Å; R856-A859 PolarHBondContact O-N 3.24Å; E857-A859 PolarHBondContact O-N 3.26Å; A859-A862 PolarHBondContact O-N 2.9Å; A859-L863 WeakPolarHBondContact O-CG 3.29Å; A859-L863 PolarHBondContact O-N 3Å; A859-L863 VanDerWaalsContact O-N 3.08Å; A859-I941 HydrophobicContact CB-CD1 3.81Å; A859-F948 HydrophobicContact CB-CD1 4.47Å; A859-F948 HydrophobicContact CB-CE1 3.84Å; A859-F948 HydrophobicContact CB-CZ 3.93Å; A859-L969 HydrophobicContact CB-CD2 3.79Å |
| 860 | M | 84.8 | Confident | 82.6 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 174.8 | -70.7 | -65.4 | -71.5 | 0 | 0 | 111.9 | Y820 R856 E857 M858 A862 L863 Q864 F948 V972 I976 | Y820-M860 HydrophobicContact CE1-CB 3.85Å; R856-M860 WeakPolarHBondContact O-CG 3.39Å; R856-M860 PolarHBondContact O-N 3.24Å; E857-M860 PolarHBondContact O-N 3.17Å; M858-M860 VanDerWaalsContact C-N 3.33Å; M858-M860 PolarHBondContact O-N 3.43Å; M860-A862 VanDerWaalsContact C-N 3.32Å; M860-A862 PolarHBondContact O-N 3.44Å; M860-L863 PolarHBondContact O-N 3.27Å; M860-Q864 WeakPolarHBondContact O-CG 3.33Å; M860-Q864 PolarHBondContact O-N 3.29Å; M860-F948 HydrophobicContact CG-CE1 4.22Å; M860-F948 HydrophobicContact CG-CZ 4.02Å; M860-F948 HydrophobicContact SD-CE1 3.81Å; M860-F948 HydrophobicContact SD-CZ 4.03Å; M860-V972 HydrophobicContact SD-CG2 4.19Å; M860-I976 HydrophobicContact CE-CD1 4.07Å |
| 861 | V | 85.1 | Confident | 83 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | I816 L817 Y820 V822 L841 E857 M858 L863 Q864 V865 | I816-V861 HydrophobicContact CG2-CG1 4.24Å; I816-V861 HydrophobicContact CG2-CG2 4.36Å; L817-V861 HydrophobicContact CD2-CG1 4.36Å; Y820-V861 HydrophobicContact CD1-CG2 4.37Å; Y820-V861 HydrophobicContact CD2-CG2 3.3Å; Y820-V861 HydrophobicContact CE2-CG2 3.83Å; Y820-V861 HydrophobicContact CG-CG2 3.62Å; V822-V861 HydrophobicContact CG2-CG2 4.1Å; L841-V861 HydrophobicContact CD1-CG1 3.97Å; E857-V861 WeakPolarHBondContact O-CG2 3.48Å; E857-V861 PolarHBondContact O-N 3.42Å; M858-V861 PolarHBondContact O-N 2.97Å; V861-L863 VanDerWaalsContact C-N 3.33Å; V861-L863 PolarHBondContact O-N 3.45Å; V861-Q864 PolarHBondContact O-N 2.91Å; V861-V865 HydrophobicContact CG1-CG2 4.05Å; V861-V865 WeakPolarHBondContact O-CB 3.45Å; V861-V865 VanDerWaalsContact O-CG2 3.23Å; V861-V865 WeakPolarHBondContact O-CG2 3.48Å; V861-V865 PolarHBondContact O-N 3.39Å |
| 862 | A | 87.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y783 M858 A859 M860 V866 I890 I931 | Y783-A862 HydrophobicContact CD2-CB 3.97Å; Y783-A862 HydrophobicContact CE2-CB 3.67Å; M858-A862 WeakPolarHBondContact O-CB 3.38Å; M858-A862 PolarHBondContact O-N 3.24Å; A859-A862 PolarHBondContact O-N 2.9Å; M860-A862 VanDerWaalsContact C-N 3.32Å; M860-A862 PolarHBondContact O-N 3.44Å; A862-V866 WeakPolarHBondContact O-CB 3.37Å; A862-V866 VanDerWaalsContact O-CG2 3.25Å; A862-V866 WeakPolarHBondContact O-CG2 3.35Å; A862-V866 PolarHBondContact O-N 2.97Å; A862-I890 HydrophobicContact CB-CD1 3.72Å; A862-I931 HydrophobicContact CB-CD1 3.81Å; A862-I931 HydrophobicContact CB-CG1 4.22Å; A862-I931 HydrophobicContact CB-CG2 3.98Å |
| 863 | L | 87.8 | Confident | 83.5 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.4 | -74.8 | 167 | 0 | 0 | 0 | 112.3 | A859 M860 V861 V866 H867 I931 F948 L969 V972 | A859-L863 WeakPolarHBondContact O-CG 3.29Å; A859-L863 PolarHBondContact O-N 3Å; A859-L863 VanDerWaalsContact O-N 3.08Å; M860-L863 PolarHBondContact O-N 3.27Å; V861-L863 VanDerWaalsContact C-N 3.33Å; V861-L863 PolarHBondContact O-N 3.45Å; L863-V866 PolarHBondContact O-N 3.47Å; L863-H867 WeakPolarHBondContact O-CB 3.27Å; L863-H867 PolarHBondContact O-N 2.88Å; L863-I931 HydrophobicContact CB-CD1 4.38Å; L863-I931 HydrophobicContact CD2-CD1 3.56Å; L863-I931 HydrophobicContact CG-CD1 3.74Å; L863-F948 HydrophobicContact CD1-CD1 4.07Å; L863-F948 HydrophobicContact CD1-CE1 4.05Å; L863-L969 HydrophobicContact CD1-CD1 4.49Å; L863-L969 HydrophobicContact CD1-CD2 3.96Å; L863-L969 HydrophobicContact CD1-CG 4.3Å; L863-L969 HydrophobicContact CD2-CD2 4.35Å; L863-L969 HydrophobicContact CD2-CG 4.27Å; L863-L969 HydrophobicContact CG-CD2 3.9Å; L863-L969 HydrophobicContact CG-CG 4.33Å; L863-V972 HydrophobicContact CD1-CG2 3.59Å |
| 864 | Q | 85 | Confident | 83.5 | Confident | 50 Ų | 50 | 39.8 Ų | 39.8 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 178 | -74 | -172.8 | -10.3 | 0 | 0 | 112.3 | I816 Y820 M860 V861 H867 M868 | I816-Q864 HydrophobicContact CD1-CB 4.15Å; I816-Q864 HydrophobicContact CG1-CB 4.47Å; I816-Q864 HydrophobicContact CG2-CB 4.14Å; Y820-Q864 VanDerWaalsContact OH-CD 3.29Å; Y820-Q864 PolarHBondContact OH-NE2 3.01Å; Y820-Q864 PolarHBondContact OH-OE1 2.94Å; M860-Q864 WeakPolarHBondContact O-CG 3.33Å; M860-Q864 PolarHBondContact O-N 3.29Å; V861-Q864 PolarHBondContact O-N 2.91Å; Q864-H867 WeakPolarHBondContact O-CB 3.38Å; Q864-H867 PolarHBondContact O-N 2.98Å; Q864-M868 VanDerWaalsContact O-CB 3.28Å; Q864-M868 WeakPolarHBondContact O-CB 3.4Å; Q864-M868 PolarHBondContact O-N 3.36Å |
| 865 | V | 85.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 176.4 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | Y783 Y813 I816 V861 H867 M868 V869 I886 | Y783-V865 WeakPolarHBondContact OH-CG1 3.36Å; Y813-V865 HydrophobicContact CD1-CG1 4.22Å; Y813-V865 HydrophobicContact CD1-CG2 3.83Å; Y813-V865 HydrophobicContact CE1-CB 4.17Å; Y813-V865 HydrophobicContact CE1-CG1 3.31Å; Y813-V865 HydrophobicContact CE1-CG2 3.69Å; Y813-V865 HydrophobicContact CE2-CG1 4.3Å; Y813-V865 VanDerWaalsContact OH-CG1 3.24Å; Y813-V865 WeakPolarHBondContact OH-CG1 3.17Å; I816-V865 HydrophobicContact CD1-CG2 3.91Å; I816-V865 HydrophobicContact CG2-CG2 4.44Å; V861-V865 HydrophobicContact CG1-CG2 4.05Å; V861-V865 WeakPolarHBondContact O-CB 3.45Å; V861-V865 VanDerWaalsContact O-CG2 3.23Å; V861-V865 WeakPolarHBondContact O-CG2 3.48Å; V861-V865 PolarHBondContact O-N 3.39Å; V865-H867 VanDerWaalsContact C-N 3.26Å; V865-H867 PolarHBondContact O-N 3.34Å; V865-M868 PolarHBondContact O-N 3.44Å; V865-V869 WeakPolarHBondContact O-CG2 3.23Å; V865-V869 PolarHBondContact O-N 3.36Å; V865-I886 HydrophobicContact CG1-CD1 3.62Å |
| 866 | V | 87.5 | Confident | 82.9 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | A862 L863 R870 I886 T888 M929 I931 | A862-V866 WeakPolarHBondContact O-CB 3.37Å; A862-V866 VanDerWaalsContact O-CG2 3.25Å; A862-V866 WeakPolarHBondContact O-CG2 3.35Å; A862-V866 PolarHBondContact O-N 2.97Å; L863-V866 PolarHBondContact O-N 3.47Å; V866-R870 VanDerWaalsContact O-CB 3.31Å; V866-R870 WeakPolarHBondContact O-CB 3.28Å; V866-R870 PolarHBondContact O-N 3.15Å; V866-R870 VanDerWaalsContact O-N 3.09Å; V866-I886 HydrophobicContact CG2-CD1 3.88Å; V866-I886 HydrophobicContact CG2-CG1 4.37Å; V866-T888 HydrophobicContact CG2-CG2 4.24Å; V866-M929 HydrophobicContact CG1-CE 3.89Å; V866-M929 WeakPolarHBondContact O-CE 3.4Å; V866-I931 HydrophobicContact CG2-CD1 4.24Å; V866-I931 HydrophobicContact CG2-CG1 3.88Å |
| 867 | H | 84.8 | Confident | 82.5 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 174.8 | -173.9 | 82.1 | 0 | 0 | 0 | 112.4 | L863 Q864 V865 R870 C871 L978 | L863-H867 WeakPolarHBondContact O-CB 3.27Å; L863-H867 PolarHBondContact O-N 2.88Å; Q864-H867 WeakPolarHBondContact O-CB 3.38Å; Q864-H867 PolarHBondContact O-N 2.98Å; V865-H867 VanDerWaalsContact C-N 3.26Å; V865-H867 PolarHBondContact O-N 3.34Å; H867-R870 WeakPolarHBondContact O-CB 3.41Å; H867-R870 PolarHBondContact O-N 3.48Å; H867-C871 PolarHBondContact O-N 3.22Å; H867-C871 PolarHBondContact O-SG 3.44Å; H867-C871 VanDerWaalsContact O-SG 3.37Å; H867-L978 HydrophobicContact CB-CD1 4.46Å; H867-L978 WeakPolarHBondContact NE2-CB 3.41Å |
| 868 | M | 83.3 | Confident | 81.7 | Confident | 28 Ų | 28 | 50 Ų | 50 | 14% | 0.138 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 178.4 | 175 | -89.3 | -71.6 | 0 | 0 | 111 | Y813 I816 Q864 V865 R870 C871 L872 | Y813-M868 HydrophobicContact CD2-CE 3.74Å; Y813-M868 HydrophobicContact CE2-CE 3.84Å; Y813-M868 HydrophobicContact CG-CE 4.2Å; I816-M868 HydrophobicContact CD1-CB 3.98Å; I816-M868 HydrophobicContact CD1-CE 4.04Å; I816-M868 HydrophobicContact CD1-CG 4.3Å; Q864-M868 VanDerWaalsContact O-CB 3.28Å; Q864-M868 WeakPolarHBondContact O-CB 3.4Å; Q864-M868 PolarHBondContact O-N 3.36Å; V865-M868 PolarHBondContact O-N 3.44Å; M868-R870 VanDerWaalsContact C-N 3.25Å; M868-R870 PolarHBondContact O-N 3.13Å; M868-C871 WeakPolarHBondContact O-CA 3.49Å; M868-C871 WeakPolarHBondContact O-CB 3.07Å; M868-C871 PolarHBondContact O-N 3.24Å; M868-L872 WeakPolarHBondContact O-CG 3.43Å; M868-L872 PolarHBondContact O-N 2.89Å; M868-L872 HydrophobicContact SD-CD1 3.38Å; M868-L872 WeakPolarHBondContact SD-CD1 3.37Å; M868-L872 HydrophobicContact SD-CG 4.01Å |
| 869 | V | 83.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | L809 V865 C871 L872 L884 I886 M929 | L809-V869 HydrophobicContact CD1-CG2 4.33Å; V865-V869 WeakPolarHBondContact O-CG2 3.23Å; V865-V869 PolarHBondContact O-N 3.36Å; V869-C871 VanDerWaalsContact C-N 3.29Å; V869-C871 PolarHBondContact O-N 2.93Å; V869-L872 PolarHBondContact O-N 3.2Å; V869-L884 HydrophobicContact CG1-CB 4.04Å; V869-I886 HydrophobicContact CB-CD1 4.36Å; V869-I886 HydrophobicContact CB-CG1 4.44Å; V869-I886 HydrophobicContact CG1-CG1 4.35Å; V869-I886 HydrophobicContact CG1-CG2 4.14Å; V869-I886 HydrophobicContact CG2-CD1 4.02Å; V869-I886 HydrophobicContact CG2-CG1 4.45Å; V869-I886 HydrophobicContact CG2-CG2 4.21Å; V869-M929 HydrophobicContact CG1-SD 4.49Å |
| 870 | R | 82.7 | Confident | 79.5 | Confident | 185 Ų | 185 | 61.9 Ų | 61.9 | 70% | 0.698 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.9 | -32.5 | 174 | -176.9 | 176.3 | 172.1 | 155.1 | -1.8 | 112.6 | V866 H867 M868 M929 | V866-R870 VanDerWaalsContact O-CB 3.31Å; V866-R870 WeakPolarHBondContact O-CB 3.28Å; V866-R870 PolarHBondContact O-N 3.15Å; V866-R870 VanDerWaalsContact O-N 3.09Å; H867-R870 WeakPolarHBondContact O-CB 3.41Å; H867-R870 PolarHBondContact O-N 3.48Å; M868-R870 VanDerWaalsContact C-N 3.25Å; M868-R870 PolarHBondContact O-N 3.13Å; R870-M929 HydrophobicContact CB-CE 3.74Å; R870-M929 HydrophobicContact CG-CE 4.42Å |
| 871 | C | 80.8 | Confident | 78.3 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 43% | 0.432 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -82.7 | -28.9 | 179.2 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | H867 M868 V869 R873 | H867-C871 PolarHBondContact O-N 3.22Å; H867-C871 PolarHBondContact O-SG 3.44Å; H867-C871 VanDerWaalsContact O-SG 3.37Å; M868-C871 WeakPolarHBondContact O-CA 3.49Å; M868-C871 WeakPolarHBondContact O-CB 3.07Å; M868-C871 PolarHBondContact O-N 3.24Å; V869-C871 VanDerWaalsContact C-N 3.29Å; V869-C871 PolarHBondContact O-N 2.93Å; C871-R873 PolarHBondContact O-N 2.84Å |
| 872 | L | 81.3 | Confident | 77.4 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | trans | -66.5 | 131.6 | 177.5 | -70 | 179.9 | 0 | 0 | 0 | 112.1 | I808 M868 V869 F874 | I808-L872 HydrophobicContact CG2-CD1 4.44Å; I808-L872 HydrophobicContact CG2-CD2 4.01Å; M868-L872 WeakPolarHBondContact O-CG 3.43Å; M868-L872 PolarHBondContact O-N 2.89Å; M868-L872 HydrophobicContact SD-CD1 3.38Å; M868-L872 WeakPolarHBondContact SD-CD1 3.37Å; M868-L872 HydrophobicContact SD-CG 4.01Å; V869-L872 PolarHBondContact O-N 3.2Å; L872-F874 HydrophobicContact CB-CE2 3.98Å; L872-F874 HydrophobicContact CB-CZ 4.05Å; L872-F874 HydrophobicContact CD1-CZ 3.96Å | ||
| 873 | R | 78.1 | Confident | 76.7 | Confident | 189 Ų | 189 | 77.3 Ų | 77.3 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | trans | -128.9 | 126.4 | 171.8 | -67.1 | -177.4 | -174.3 | 166.7 | 1.9 | 108.4 | C871 | C871-R873 PolarHBondContact O-N 2.84Š| ||
| 874 | F | 79 | Confident | 76.4 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | trans | -103.1 | 94.4 | 179.8 | -57.1 | -82.6 | 0 | 0 | 0 | 108.2 | M805 I808 L872 F876 L877 L884 | M805-F874 HydrophobicContact CB-CD1 4.2Å; M805-F874 HydrophobicContact CB-CE1 4.2Å; M805-F874 HydrophobicContact CG-CD1 3.84Å; M805-F874 HydrophobicContact CG-CD2 4.45Å; M805-F874 HydrophobicContact CG-CE1 3.64Å; M805-F874 HydrophobicContact CG-CE2 4.32Å; M805-F874 HydrophobicContact CG-CG 4.22Å; M805-F874 HydrophobicContact CG-CZ 3.89Å; I808-F874 HydrophobicContact CB-CE1 4.28Å; I808-F874 HydrophobicContact CD1-CE1 4.42Å; I808-F874 HydrophobicContact CG2-CE1 4.14Å; L872-F874 HydrophobicContact CB-CE2 3.98Å; L872-F874 HydrophobicContact CB-CZ 4.05Å; L872-F874 HydrophobicContact CD1-CZ 3.96Å; F874-F876 VanDerWaalsContact C-N 3.26Å; F874-F876 HydrophobicContact CB-CE1 4.34Å; F874-F876 HydrophobicContact CB-CZ 4.27Å; F874-F876 AromaticContact CD1-CE1 3.94Å; F874-F876 HydrophobicContact CD1-CE1 3.94Å; F874-F876 HydrophobicContact CD1-CE2 4.48Å; F874-F876 AromaticContact CD1-CZ 3.62Å; F874-F876 HydrophobicContact CD1-CZ 3.62Å; F874-F876 HydrophobicContact CG-CZ 4.41Å; F874-F876 PolarHBondContact O-N 3.28Å; F874-L877 HydrophobicContact CB-CB 4.37Å; F874-L877 HydrophobicContact CB-CD1 3.45Å; F874-L877 VanDerWaalsContact CB-CD1 3.45Å; F874-L877 HydrophobicContact CB-CG 3.73Å; F874-L877 HydrophobicContact CD2-CD1 4.23Å; F874-L877 HydrophobicContact CG-CD1 3.91Å; F874-L884 HydrophobicContact CD2-CD1 3.96Å; F874-L884 HydrophobicContact CD2-CG 3.9Å; F874-L884 HydrophobicContact CE2-CB 4.33Å; F874-L884 HydrophobicContact CE2-CD1 3.21Å; F874-L884 HydrophobicContact CE2-CG 3.55Å; F874-L884 HydrophobicContact CZ-CD1 3.69Å; F874-L884 HydrophobicContact CZ-CG 4.49Å | ||
| 875 | S | 73.5 | Confident | 76.4 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 83% | 0.832 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.3 | -179.7 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 876 | F | 76.5 | Confident | 76.5 | Confident | 68 Ų | 68 | 81.2 Ų | 81.2 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -15.3 | -177.5 | 56.9 | -97.1 | 0 | 0 | 0 | 114.1 | D801 K804 M805 I808 F874 | D801-F876 HydrophobicContact CB-CD2 4.07Å; D801-F876 HydrophobicContact CB-CE2 4.38Å; D801-F876 WeakPolarHBondContact O-CE2 3.4Å; K804-F876 HydrophobicContact CB-CE2 4.25Å; K804-F876 HydrophobicContact CB-CZ 4.19Å; M805-F876 HydrophobicContact CB-CE2 4.09Å; M805-F876 HydrophobicContact CB-CZ 4.14Å; I808-F876 HydrophobicContact CD1-CE1 3.98Å; I808-F876 HydrophobicContact CD1-CZ 4.15Å; F874-F876 VanDerWaalsContact C-N 3.26Å; F874-F876 HydrophobicContact CB-CE1 4.34Å; F874-F876 HydrophobicContact CB-CZ 4.27Å; F874-F876 AromaticContact CD1-CE1 3.94Å; F874-F876 HydrophobicContact CD1-CE1 3.94Å; F874-F876 HydrophobicContact CD1-CE2 4.48Å; F874-F876 AromaticContact CD1-CZ 3.62Å; F874-F876 HydrophobicContact CD1-CZ 3.62Å; F874-F876 HydrophobicContact CG-CZ 4.41Å; F874-F876 PolarHBondContact O-N 3.28Å |
| 877 | L | 72.8 | Confident | 76.6 | Confident | 21 Ų | 21 | 83.8 Ų | 83.8 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -72.9 | 134.3 | 176.8 | -66.3 | 174 | 0 | 0 | 0 | 111 | V793 N797 D801 M805 F874 | V793-L877 HydrophobicContact CG1-CD1 4.37Å; V793-L877 HydrophobicContact CG1-CD2 4.45Å; N797-L877 HydrophobicContact CB-CD2 4.23Å; N797-L877 WeakPolarHBondContact OD1-CA 3.2Å; D801-L877 HydrophobicContact CB-CD2 4.44Å; M805-L877 HydrophobicContact CG-CD1 4.28Å; M805-L877 HydrophobicContact SD-CD1 3.58Å; M805-L877 VanDerWaalsContact SD-CD1 3.58Å; M805-L877 HydrophobicContact SD-CD2 4.27Å; F874-L877 HydrophobicContact CB-CB 4.37Å; F874-L877 HydrophobicContact CB-CD1 3.45Å; F874-L877 VanDerWaalsContact CB-CD1 3.45Å; F874-L877 HydrophobicContact CB-CG 3.73Å; F874-L877 HydrophobicContact CD2-CD1 4.23Å; F874-L877 HydrophobicContact CG-CD1 3.91Å |
| 878 | K | 65.4 | Low | 76.8 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | trans | -78.9 | 138 | 172.4 | -60.9 | 175.7 | -173.4 | 168.3 | 0 | 110 | V796 N797 | V796-K878 HydrophobicContact CG1-CB 4.3Å; N797-K878 PolarHBondContact ND2-O 2.89Å; N797-K878 PolarHBondContact OD1-N 2.96Å | ||
| 879 | G | 61.9 | Low | 77.1 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 118.3 | -178.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V881 | G879-V881 VanDerWaalsContact C-N 3.29Å; G879-V881 PolarHBondContact O-N 3.27Å |
| 880 | H | 61.8 | Low | 77.4 | Confident | 199 Ų | 199 | 79.3 Ų | 79.3 | 92% | 0.921 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.2 | -12.2 | -179.1 | -68.8 | -67.5 | 0 | 0 | 0 | 113.9 | K882 | H880-K882 PolarHBondContact O-N 2.95Š|
| 881 | V | 61.4 | Low | 77.7 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | trans | -93.5 | 82 | -176.4 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | G879 K883 | G879-V881 VanDerWaalsContact C-N 3.29Å; G879-V881 PolarHBondContact O-N 3.27Å; V881-K883 VanDerWaalsContact C-N 3.29Å; V881-K883 WeakPolarHBondContact CG1-O 3.4Å | ||
| 882 | K | 64.6 | Low | 78.1 | Confident | 158 Ų | 158 | 67.9 Ų | 67.9 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | trans | -80 | -7.9 | 175.1 | -65.1 | -170.3 | 178.1 | -174.9 | 0 | 114.4 | H880 | H880-K882 PolarHBondContact O-N 2.95Š| ||
| 883 | K | 73.7 | Confident | 78.4 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -133.4 | 121.6 | -176.8 | -68.6 | -177.5 | 179.7 | 177 | 0 | 109.5 | V881 | V881-K883 VanDerWaalsContact C-N 3.29Å; V881-K883 WeakPolarHBondContact CG1-O 3.4Å |
| 884 | L | 81.7 | Confident | 78.8 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | trans | -68.1 | 149.5 | 171.7 | -68.1 | -179.5 | 0 | 0 | 0 | 110.2 | I787 M805 L809 V869 F874 | I787-L884 HydrophobicContact CG2-CD2 4.01Å; M805-L884 HydrophobicContact CG-CD1 4.13Å; M805-L884 HydrophobicContact SD-CD1 3.88Å; M805-L884 HydrophobicContact SD-CD2 4.01Å; M805-L884 HydrophobicContact SD-CG 4.41Å; L809-L884 HydrophobicContact CD1-CD1 4.02Å; V869-L884 HydrophobicContact CG1-CB 4.04Å; F874-L884 HydrophobicContact CD2-CD1 3.96Å; F874-L884 HydrophobicContact CD2-CG 3.9Å; F874-L884 HydrophobicContact CE2-CB 4.33Å; F874-L884 HydrophobicContact CE2-CD1 3.21Å; F874-L884 HydrophobicContact CE2-CG 3.55Å; F874-L884 HydrophobicContact CZ-CD1 3.69Å; F874-L884 HydrophobicContact CZ-CG 4.49Å | ||
| 885 | R | 84.8 | Confident | 79.2 | Confident | 153 Ų | 153 | 62.5 Ų | 62.5 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | trans | -126.6 | 136 | 171.9 | -63.7 | 179.5 | -176.4 | 167.6 | 0.7 | 107.9 | V788 P928 M929 | V788-R885 HydrophobicContact CB-CB 4.28Å; V788-R885 HydrophobicContact CG2-CB 4.42Å; V788-R885 PolarHBondContact N-O 2.97Å; R885-P928 HydrophobicContact CB-CB 4.22Å; R885-M929 HydrophobicContact CB-CG 4.1Å; R885-M929 HydrophobicContact CB-SD 4.29Å; R885-M929 HydrophobicContact CG-CG 4.07Å | ||
| 886 | I | 87.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.3 | 176.7 | 55.8 | 166.8 | 0 | 0 | 0 | 111.2 | D786 I787 V865 V866 V869 T888 M929 | D786-I886 CarbonylContact O-C 3.54Å; D786-I886 WeakPolarHBondContact O-CA 3.42Å; I787-I886 HydrophobicContact CG1-CG2 4.28Å; V865-I886 HydrophobicContact CG1-CD1 3.62Å; V866-I886 HydrophobicContact CG2-CD1 3.88Å; V866-I886 HydrophobicContact CG2-CG1 4.37Å; V869-I886 HydrophobicContact CB-CD1 4.36Å; V869-I886 HydrophobicContact CB-CG1 4.44Å; V869-I886 HydrophobicContact CG1-CG1 4.35Å; V869-I886 HydrophobicContact CG1-CG2 4.14Å; V869-I886 HydrophobicContact CG2-CD1 4.02Å; V869-I886 HydrophobicContact CG2-CG1 4.45Å; V869-I886 HydrophobicContact CG2-CG2 4.21Å; I886-T888 HydrophobicContact CD1-CG2 3.79Å; I886-T888 HydrophobicContact CG1-CG2 4.3Å; I886-M929 HydrophobicContact CG1-SD 4.18Å; I886-M929 PolarHBondContact O-N 2.89Å |
| 887 | R | 88.7 | Confident | 80.1 | Confident | 75 Ų | 75 | 58 Ų | 58 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.2 | 161.6 | -74.1 | 169.7 | -166.5 | 173.7 | 3.5 | 108 | S785 D786 V788 E923 | S785-R887 VanDerWaalsContact CA-O 3.22Å; S785-R887 WeakPolarHBondContact CA-O 3.36Å; D786-R887 PolarHBondContact N-O 2.95Å; D786-R887 PolarHBondContact O-N 3.37Å; V788-R887 HydrophobicContact CG2-CB 4.47Å; V788-R887 HydrophobicContact CG2-CG 3.59Å; R887-E923 HydrophobicContact CB-CG 4.49Å |
| 888 | T | 89.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.5 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | Y783 F784 V866 I886 R930 I931 H932 | Y783-T888 HydrophobicContact CE2-CG2 3.77Å; Y783-T888 VanDerWaalsContact OH-CG2 3.23Å; Y783-T888 WeakPolarHBondContact OH-CG2 3.28Å; F784-T888 WeakPolarHBondContact O-CA 3.33Å; V866-T888 HydrophobicContact CG2-CG2 4.24Å; I886-T888 HydrophobicContact CD1-CG2 3.79Å; I886-T888 HydrophobicContact CG1-CG2 4.3Å; T888-R930 PolarHBondContact OG1-O 3Å; T888-I931 VanDerWaalsContact OG1-CA 3.25Å; T888-I931 WeakPolarHBondContact OG1-CA 3.46Å; T888-I931 WeakPolarHBondContact OG1-CG1 3.45Å; T888-H932 WeakPolarHBondContact O-CB 3.49Å; T888-H932 PolarHBondContact O-N 3.17Å |
| 889 | G | 89.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y783 F784 H932 | Y783-G889 WeakPolarHBondContact CA-O 3.37Å; F784-G889 PolarHBondContact N-O 3Å; F784-G889 PolarHBondContact O-N 3.15Å; G889-H932 CarbonylContact C-O 3.59Å; G889-H932 WeakPolarHBondContact CA-O 3.5Å |
| 890 | I | 91 | Very high | 81.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.3 | 179.8 | -47.3 | -179.5 | 0 | 0 | 0 | 109.8 | T781 I782 Y783 M858 A862 I931 H932 I933 E934 T937 | T781-I890 HydrophobicContact CG2-CG2 3.48Å; T781-I890 VanDerWaalsContact CG2-CG2 3.48Å; I782-I890 WeakPolarHBondContact O-CA 3.4Å; Y783-I890 HydrophobicContact CD2-CD1 4.23Å; Y783-I890 HydrophobicContact CD2-CG1 3.97Å; M858-I890 HydrophobicContact CG-CD1 4.4Å; M858-I890 HydrophobicContact CG-CG2 4.13Å; A862-I890 HydrophobicContact CB-CD1 3.72Å; I890-I931 HydrophobicContact CD1-CG2 3.67Å; I890-I931 HydrophobicContact CG1-CG2 4.18Å; I890-H932 PolarHBondContact N-O 2.86Å; I890-I933 HydrophobicContact CB-CG1 4.34Å; I890-I933 HydrophobicContact CD1-CD1 4.2Å; I890-I933 HydrophobicContact CD1-CG1 4.3Å; I890-E934 PolarHBondContact O-N 2.79Å; I890-T937 HydrophobicContact CG2-CG2 3.81Å |
| 891 | A | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | T781 I782 L915 V918 A919 E934 T937 | T781-A891 WeakPolarHBondContact CA-O 3.05Å; I782-A891 PolarHBondContact N-O 3.06Å; I782-A891 PolarHBondContact O-N 3.39Å; I782-A891 VanDerWaalsContact O-N 3.1Å; A891-L915 HydrophobicContact CB-CD1 3.79Å; A891-V918 HydrophobicContact CB-CB 4.48Å; A891-V918 HydrophobicContact CB-CG1 3.91Å; A891-A919 HydrophobicContact CB-CB 3.82Å; A891-E934 HydrophobicContact CB-CB 4.01Å; A891-T937 VanDerWaalsContact CA-OG1 3.32Å; A891-T937 WeakPolarHBondContact CA-OG1 3.26Å |
| 892 | S | 88.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.7 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | T780 T781 S936 T937 | T780-S892 CarbonylContact O-C 3.58Å; T780-S892 VanDerWaalsContact O-CA 3.29Å; T780-S892 WeakPolarHBondContact O-CA 3.23Å; T781-S892 WeakPolarHBondContact CG2-OG 3.37Å; T781-S892 PolarHBondContact OG1-OG 3.03Å; S892-S936 PolarHBondContact N-OG 2.79Å; S892-S936 PolarHBondContact O-OG 3.37Å; S892-T937 VanDerWaalsContact CB-OG1 3.26Å; S892-T937 WeakPolarHBondContact CB-OG1 3.48Å; S892-T937 PolarHBondContact N-OG1 3.04Å; S892-T937 PolarHBondContact OG-OG1 3.12Å |
| 893 | G | 87.2 | Confident | 82.5 | Confident | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | -156.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T780 | T780-G893 PolarHBondContact N-O 2.94Å; T780-G893 PolarHBondContact O-N 2.96Å |
| 894 | T | 87 | Confident | 81.7 | Confident | 91 Ų | 91 | 48.9 Ų | 48.9 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | Y777 N778 L915 | Y777-T894 VanDerWaalsContact O-CA 3.32Å; Y777-T894 WeakPolarHBondContact O-CA 3.42Å; N778-T894 WeakPolarHBondContact O-CG2 3.38Å; T894-L915 WeakPolarHBondContact O-CB 3.44Å |
| 895 | C | 85.9 | Confident | 80.8 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.1 | 171.9 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | Y777 L915 | Y777-C895 PolarHBondContact N-O 3.23Å; Y777-C895 PolarHBondContact O-N 3.26Å; C895-L915 HydrophobicContact CB-CB 4.29Å; C895-L915 HydrophobicContact CB-CD2 4.02Å |
| 896 | M | 85.7 | Confident | 79.8 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.6 | 174 | -169.7 | -176.9 | -63.1 | 0 | 0 | 109.7 | P774 V776 L911 V912 | P774-M896 HydrophobicContact CB-CG 4.34Å; P774-M896 HydrophobicContact CB-SD 4.17Å; V776-M896 HydrophobicContact CG2-CE 4.04Å; V776-M896 HydrophobicContact CG2-CG 4.36Å; M896-L911 CarbonylContact O-C 3.45Å; M896-L911 WeakPolarHBondContact O-CA 3.38Å; M896-V912 PolarHBondContact N-O 2.73Å; M896-V912 PolarHBondContact O-N 2.74Å |
| 897 | G | 83.8 | Confident | 79 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | P774 K775 M910 | P774-G897 WeakPolarHBondContact CA-O 3.01Å; K775-G897 PolarHBondContact N-O 3.38Å; K775-G897 PolarHBondContact O-N 3.39Å; G897-M910 WeakPolarHBondContact CA-O 3.35Å |
| 898 | G | 82.7 | Confident | 78.3 | Confident | 15 Ų | 15 | 53 Ų | 53 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M910 | G898-M910 PolarHBondContact N-O 3.49Å; G898-M910 PolarHBondContact O-N 2.87Å |
| 899 | L | 80.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.3 | 171.6 | -162.6 | 80.8 | 0 | 0 | 0 | 109 | F758 L762 L766 L903 P907 Q908 | F758-L899 HydrophobicContact CD1-CD1 3.92Å; F758-L899 HydrophobicContact CE1-CD1 3.38Å; F758-L899 HydrophobicContact CZ-CD1 4.09Å; L762-L899 HydrophobicContact CD2-CD1 4.2Å; L766-L899 HydrophobicContact CD2-CD2 4.23Å; L899-L903 HydrophobicContact CD2-CD2 4.09Å; L899-L903 HydrophobicContact CD2-CG 4.47Å; L899-P907 HydrophobicContact CD1-CB 3.92Å; L899-P907 HydrophobicContact CD2-CB 3.8Å; L899-P907 HydrophobicContact CG-CB 3.84Å; L899-Q908 WeakPolarHBondContact CA-O 3.31Å |
| 900 | I | 75 | Confident | 77.2 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 43% | 0.431 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.7 | 179.4 | -61.4 | 178.2 | 0 | 0 | 0 | 108.5 | Q908 M910 | I900-Q908 PolarHBondContact N-O 3.27Å; I900-Q908 PolarHBondContact O-N 2.91Å; I900-M910 HydrophobicContact CB-CE 3.79Å; I900-M910 HydrophobicContact CD1-CB 4.04Å; I900-M910 HydrophobicContact CD1-CE 3.41Å; I900-M910 VanDerWaalsContact CD1-CE 3.41Å; I900-M910 HydrophobicContact CD1-CG 4.37Å; I900-M910 HydrophobicContact CD1-SD 4.04Å; I900-M910 HydrophobicContact CG1-CE 4.1Å; I900-M910 HydrophobicContact CG2-CE 3.81Å |
| 901 | G | 71.7 | Confident | 76.8 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 109.3 | 165 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 902 | Q | 66.7 | Low | 76.5 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | trans | -75.4 | 133.9 | 174.1 | -69.5 | -179.5 | -28.4 | 0 | 0 | 109.6 | D904 K905 | Q902-D904 PolarHBondContact O-N 2.95Å; Q902-K905 PolarHBondContact O-N 3.14Å; Q902-K905 VanDerWaalsContact O-N 3.13Å | ||
| 903 | L | 62.8 | Low | 76.2 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29 | 176.4 | -80.1 | 152.3 | 0 | 0 | 0 | 112.9 | L766 V770 L899 P907 | L766-L903 HydrophobicContact CD2-CD2 3.85Å; V770-L903 VanDerWaalsContact O-CD1 3.31Å; V770-L903 WeakPolarHBondContact O-CD1 3.39Å; L899-L903 HydrophobicContact CD2-CD2 4.09Å; L899-L903 HydrophobicContact CD2-CG 4.47Å; L903-P907 HydrophobicContact CD2-CG 4.4Å |
| 904 | D | 56.5 | Low | 76.1 | Confident | 156 Ų | 156 | 64.8 Ų | 64.8 | 83% | 0.834 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11 | -175.4 | -60 | -19.5 | 0 | 0 | 0 | 114.7 | Q902 | Q902-D904 PolarHBondContact O-N 2.95Š|
| 905 | K | 62.4 | Low | 76 | Confident | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -81.9 | -176.6 | -65.7 | -175.3 | -179.4 | -176.5 | 0 | 111.4 | Q902 | Q902-K905 PolarHBondContact O-N 3.14Å; Q902-K905 VanDerWaalsContact O-N 3.13Å |
| 906 | T | 64.9 | Low | 76 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 64% | 0.638 | 34% | 0.342 | S | S | * | . | trans | -157.2 | 82.4 | 177.9 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | Q908 | T906-Q908 PolarHBondContact O-N 3.14Š| ||
| 907 | P | 70.5 | Confident | 75.9 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | trans | -67.5 | 126.4 | 177.5 | 26 | -31.4 | 0 | 0 | 0 | 109.9 | F758 L899 L903 | F758-P907 HydrophobicContact CZ-CB 4.42Å; F758-P907 HydrophobicContact CZ-CG 3.91Å; L899-P907 HydrophobicContact CD1-CB 3.92Å; L899-P907 HydrophobicContact CD2-CB 3.8Å; L899-P907 HydrophobicContact CG-CB 3.84Å; L903-P907 HydrophobicContact CD2-CG 4.4Å | ||
| 908 | Q | 72.6 | Confident | 76 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 16% | 0.159 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.6 | 178.8 | -66.4 | 178.3 | 9.6 | 0 | 0 | 109.9 | T826 D830 L899 I900 T906 | T826-Q908 HydrophobicContact CG2-CG 4.37Å; D830-Q908 PolarHBondContact OD1-NE2 3.45Å; D830-Q908 PolarHBondContact OD2-NE2 3.35Å; L899-Q908 WeakPolarHBondContact CA-O 3.31Å; I900-Q908 PolarHBondContact N-O 3.27Å; I900-Q908 PolarHBondContact O-N 2.91Å; T906-Q908 PolarHBondContact O-N 3.14Å |
| 909 | F | 76.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.7 | 169.3 | -177.2 | -108.1 | 0 | 0 | 0 | 108.8 | F758 P759 L762 Y777 Y823 V825 T826 L845 L911 | F758-F909 HydrophobicContact CD1-CB 4.35Å; P759-F909 HydrophobicContact CG-CD1 4.04Å; P759-F909 HydrophobicContact CG-CE1 3.86Å; P759-F909 HydrophobicContact CG-CG 4.5Å; P759-F909 HydrophobicContact CG-CZ 4.16Å; L762-F909 HydrophobicContact CD2-CB 4.47Å; L762-F909 HydrophobicContact CD2-CD2 3.43Å; L762-F909 VanDerWaalsContact CD2-CD2 3.43Å; L762-F909 HydrophobicContact CD2-CE2 3.89Å; L762-F909 HydrophobicContact CD2-CG 4.14Å; Y777-F909 HydrophobicContact CE2-CZ 4.2Å; Y823-F909 HydrophobicContact CE1-CD1 4.1Å; V825-F909 HydrophobicContact CG1-CD1 4.22Å; V825-F909 VanDerWaalsContact CG1-O 3.27Å; V825-F909 WeakPolarHBondContact CG1-O 3.39Å; V825-F909 HydrophobicContact CG2-CD1 4.48Å; T826-F909 PolarHBondContact OG1-N 3.4Å; T826-F909 PolarHBondContact OG1-O 3.39Å; L845-F909 HydrophobicContact CD1-CE1 3.92Å; L845-F909 HydrophobicContact CD2-CE1 4.19Å; L845-F909 HydrophobicContact CD2-CZ 4.19Å; F909-L911 HydrophobicContact CE1-CD2 3.91Å; F909-L911 HydrophobicContact CE1-CG 4.4Å; F909-L911 HydrophobicContact CZ-CD2 4.06Å |
| 910 | M | 80 | Confident | 76.4 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 30% | 0.296 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144 | 178.9 | -79.5 | -162.8 | -107.6 | 0 | 0 | 111.2 | G897 G898 I900 | G897-M910 WeakPolarHBondContact CA-O 3.35Å; G898-M910 PolarHBondContact N-O 3.49Å; G898-M910 PolarHBondContact O-N 2.87Å; I900-M910 HydrophobicContact CB-CE 3.79Å; I900-M910 HydrophobicContact CD1-CB 4.04Å; I900-M910 HydrophobicContact CD1-CE 3.41Å; I900-M910 VanDerWaalsContact CD1-CE 3.41Å; I900-M910 HydrophobicContact CD1-CG 4.37Å; I900-M910 HydrophobicContact CD1-SD 4.04Å; I900-M910 HydrophobicContact CG1-CE 4.1Å; I900-M910 HydrophobicContact CG2-CE 3.81Å |
| 911 | L | 82.6 | Confident | 76.8 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.9 | 166.6 | -63.6 | 179.6 | 0 | 0 | 0 | 109.3 | I782 V825 A842 L845 M896 F909 V916 | I782-L911 HydrophobicContact CD1-CD1 3.98Å; I782-L911 HydrophobicContact CG1-CD1 4.33Å; V825-L911 HydrophobicContact CG1-CG 4.19Å; V825-L911 HydrophobicContact CG2-CD1 3.8Å; V825-L911 HydrophobicContact CG2-CG 4.16Å; A842-L911 HydrophobicContact CB-CD1 3.64Å; L845-L911 HydrophobicContact CD2-CD2 4.21Å; M896-L911 CarbonylContact O-C 3.45Å; M896-L911 WeakPolarHBondContact O-CA 3.38Å; F909-L911 HydrophobicContact CE1-CD2 3.91Å; F909-L911 HydrophobicContact CE1-CG 4.4Å; F909-L911 HydrophobicContact CZ-CD2 4.06Å; L911-V916 HydrophobicContact CB-CG2 4.15Å |
| 912 | V | 82.2 | Confident | 77.5 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.8 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | M896 | M896-V912 PolarHBondContact N-O 2.73Å; M896-V912 PolarHBondContact O-N 2.74Å |
| 913 | G | 83.1 | Confident | 78.4 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 144.7 | 170.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L915 V916 | G913-L915 PolarHBondContact O-N 3.34Å; G913-L915 VanDerWaalsContact O-N 3.09Å; G913-V916 WeakPolarHBondContact O-CB 2.91Å; G913-V916 PolarHBondContact O-N 3.09Å |
| 914 | H | 84.7 | Confident | 79.4 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.4 | -33 | -177.7 | -174.1 | 58.4 | 0 | 0 | 0 | 113.6 | V916 E917 V918 | H914-V916 PolarHBondContact O-N 3.22Å; H914-E917 IonicContact ND1-OE2 4Å; H914-E917 PolarHBondContact ND1-OE2 3.37Å; H914-E917 PolarHBondContact O-N 2.62Å; H914-V918 WeakPolarHBondContact O-CG2 3.34Å; H914-V918 PolarHBondContact O-N 3.11Å |
| 915 | L | 85.1 | Confident | 80.7 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -37.2 | 175.9 | -179.1 | 63.3 | 0 | 0 | 0 | 113.1 | T780 I782 A891 T894 C895 G913 V918 A919 | T780-L915 WeakPolarHBondContact O-CD2 3.41Å; I782-L915 HydrophobicContact CD1-CB 4.49Å; I782-L915 HydrophobicContact CD1-CD2 3.75Å; I782-L915 HydrophobicContact CD1-CG 3.83Å; I782-L915 HydrophobicContact CG1-CD2 3.86Å; I782-L915 HydrophobicContact CG1-CG 4.18Å; A891-L915 HydrophobicContact CB-CD1 3.79Å; T894-L915 WeakPolarHBondContact O-CB 3.44Å; C895-L915 HydrophobicContact CB-CB 4.29Å; C895-L915 HydrophobicContact CB-CD2 4.02Å; G913-L915 PolarHBondContact O-N 3.34Å; G913-L915 VanDerWaalsContact O-N 3.09Å; L915-V918 PolarHBondContact O-N 3.28Å; L915-A919 WeakPolarHBondContact O-CB 3.37Å; L915-A919 PolarHBondContact O-N 3.41Å |
| 916 | V | 85.5 | Confident | 81.7 | Confident | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -44.5 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | I782 F784 L911 G913 H914 A919 Q920 | I782-V916 HydrophobicContact CD1-CG2 3.77Å; F784-V916 HydrophobicContact CE2-CG1 4.04Å; F784-V916 HydrophobicContact CZ-CG1 3.84Å; L911-V916 HydrophobicContact CB-CG2 4.15Å; G913-V916 WeakPolarHBondContact O-CB 2.91Å; G913-V916 PolarHBondContact O-N 3.09Å; H914-V916 PolarHBondContact O-N 3.22Å; V916-A919 PolarHBondContact O-N 2.98Å; V916-Q920 VanDerWaalsContact O-CB 3.23Å; V916-Q920 WeakPolarHBondContact O-CB 3.29Å; V916-Q920 PolarHBondContact O-N 3.07Å |
| 917 | E | 83.6 | Confident | 82.8 | Confident | 115 Ų | 115 | 43.1 Ų | 43.1 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -43 | 177.1 | -64 | 165.2 | 177.6 | 0 | 0 | 111.6 | H914 Q920 S921 | H914-E917 IonicContact ND1-OE2 4Å; H914-E917 PolarHBondContact ND1-OE2 3.37Å; H914-E917 PolarHBondContact O-N 2.62Å; E917-Q920 WeakPolarHBondContact O-CB 3.26Å; E917-Q920 PolarHBondContact O-N 3.37Å; E917-S921 WeakPolarHBondContact O-CB 3.47Å; E917-S921 PolarHBondContact O-N 2.98Å |
| 918 | V | 86 | Confident | 83.6 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | A891 H914 L915 Q920 S921 M922 E934 | A891-V918 HydrophobicContact CB-CB 4.48Å; A891-V918 HydrophobicContact CB-CG1 3.91Å; H914-V918 WeakPolarHBondContact O-CG2 3.34Å; H914-V918 PolarHBondContact O-N 3.11Å; L915-V918 PolarHBondContact O-N 3.28Å; V918-Q920 VanDerWaalsContact C-N 3.28Å; V918-Q920 PolarHBondContact O-N 2.84Å; V918-S921 PolarHBondContact O-N 2.83Å; V918-S921 VanDerWaalsContact O-N 3.15Å; V918-M922 WeakPolarHBondContact O-CG 3.43Å; V918-M922 PolarHBondContact O-N 3.19Å; V918-E934 HydrophobicContact CG1-CG 3.82Å |
| 919 | A | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I782 F784 A891 L915 V916 M922 E923 | I782-A919 HydrophobicContact CB-CB 4.07Å; I782-A919 HydrophobicContact CG2-CB 3.94Å; F784-A919 HydrophobicContact CD2-CB 3.5Å; F784-A919 VanDerWaalsContact CD2-CB 3.5Å; F784-A919 HydrophobicContact CE2-CB 3.75Å; A891-A919 HydrophobicContact CB-CB 3.82Å; L915-A919 WeakPolarHBondContact O-CB 3.37Å; L915-A919 PolarHBondContact O-N 3.41Å; V916-A919 PolarHBondContact O-N 2.98Å; A919-M922 PolarHBondContact O-N 2.82Å; A919-E923 PolarHBondContact O-N 3.44Å; A919-E923 VanDerWaalsContact O-N 3.08Å |
| 920 | Q | 84.4 | Confident | 85 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 172.9 | 153.7 | 167.7 | -7.5 | 0 | 0 | 112.2 | F784 V916 E917 V918 M922 E923 G924 | F784-Q920 HydrophobicContact CD2-CB 4.41Å; F784-Q920 HydrophobicContact CE2-CB 4.29Å; V916-Q920 VanDerWaalsContact O-CB 3.23Å; V916-Q920 WeakPolarHBondContact O-CB 3.29Å; V916-Q920 PolarHBondContact O-N 3.07Å; E917-Q920 WeakPolarHBondContact O-CB 3.26Å; E917-Q920 PolarHBondContact O-N 3.37Å; V918-Q920 VanDerWaalsContact C-N 3.28Å; V918-Q920 PolarHBondContact O-N 2.84Å; Q920-M922 VanDerWaalsContact C-N 3.3Å; Q920-M922 PolarHBondContact O-N 2.66Å; Q920-E923 PolarHBondContact O-N 3.06Å; Q920-G924 PolarHBondContact O-N 3.49Å |
| 921 | S | 85.4 | Confident | 85.4 | Confident | 33 Ų | 33 | 48 Ų | 48 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 175.6 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | E917 V918 K925 | E917-S921 WeakPolarHBondContact O-CB 3.47Å; E917-S921 PolarHBondContact O-N 2.98Å; V918-S921 PolarHBondContact O-N 2.83Å; V918-S921 VanDerWaalsContact O-N 3.15Å; S921-K925 WeakPolarHBondContact O-CB 3.24Å; S921-K925 WeakPolarHBondContact O-CG 3.25Å; S921-K925 PolarHBondContact O-N 2.94Å; S921-K925 PolarHBondContact OG-NZ 2.87Å |
| 922 | M | 85.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 175.5 | -69.4 | -57 | 94.7 | 0 | 0 | 112.2 | V918 A919 Q920 G926 H932 E934 Y956 A966 | V918-M922 WeakPolarHBondContact O-CG 3.43Å; V918-M922 PolarHBondContact O-N 3.19Å; A919-M922 PolarHBondContact O-N 2.82Å; Q920-M922 VanDerWaalsContact C-N 3.3Å; Q920-M922 PolarHBondContact O-N 2.66Å; M922-G926 PolarHBondContact O-N 3.3Å; M922-G926 VanDerWaalsContact O-N 3.15Å; M922-H932 PolarHBondContact O-ND1 2.98Å; M922-E934 HydrophobicContact CG-CB 4.05Å; M922-E934 HydrophobicContact SD-CB 4.17Å; M922-E934 HydrophobicContact SD-CG 4.47Å; M922-Y956 HydrophobicContact CE-CD1 3.67Å; M922-Y956 HydrophobicContact CE-CD2 4.04Å; M922-Y956 HydrophobicContact CE-CE1 3.29Å; M922-Y956 HydrophobicContact CE-CE2 3.66Å; M922-Y956 HydrophobicContact CE-CG 4.03Å; M922-Y956 HydrophobicContact SD-CD1 4.48Å; M922-Y956 HydrophobicContact SD-CE1 3.85Å; M922-A966 HydrophobicContact SD-CB 4.17Å |
| 923 | E | 86 | Confident | 86.3 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -51.4 | 174.7 | 175.8 | -84.7 | 114.1 | 0 | 0 | 111.1 | F784 D786 R837 R887 A919 Q920 K925 G926 | F784-E923 HydrophobicContact CB-CB 3.81Å; F784-E923 HydrophobicContact CB-CG 4.06Å; D786-E923 HydrophobicContact CB-CG 4.23Å; D786-E923 VanDerWaalsContact CB-OE1 3.29Å; D786-E923 WeakPolarHBondContact CB-OE1 3.33Å; R837-E923 IonicContact NE-OE2 2.86Å; R837-E923 PolarHBondContact NE-OE2 3.45Å; R887-E923 HydrophobicContact CB-CG 4.49Å; A919-E923 PolarHBondContact O-N 3.44Å; A919-E923 VanDerWaalsContact O-N 3.08Å; Q920-E923 PolarHBondContact O-N 3.06Å; E923-K925 PolarHBondContact O-N 2.89Å; E923-G926 WeakPolarHBondContact O-CA 3.35Å; E923-G926 PolarHBondContact O-N 2.88Å |
| 924 | G | 82.8 | Confident | 86.6 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.8 | -35.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q920 G926 | Q920-G924 PolarHBondContact O-N 3.49Å; G924-G926 VanDerWaalsContact C-N 3.27Å |
| 925 | K | 84.5 | Confident | 86.8 | Confident | 108 Ų | 108 | 39.8 Ų | 39.8 | 47% | 0.47 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.9 | 173.7 | -64.1 | 176.3 | -174.8 | 172.5 | 0 | 112.9 | S921 E923 | S921-K925 WeakPolarHBondContact O-CB 3.24Å; S921-K925 WeakPolarHBondContact O-CG 3.25Å; S921-K925 PolarHBondContact O-N 2.94Å; S921-K925 PolarHBondContact OG-NZ 2.87Å; E923-K925 PolarHBondContact O-N 2.89Å |
| 926 | G | 83.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 154.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M922 E923 G924 | M922-G926 PolarHBondContact O-N 3.3Å; M922-G926 VanDerWaalsContact O-N 3.15Å; E923-G926 WeakPolarHBondContact O-CA 3.35Å; E923-G926 PolarHBondContact O-N 2.88Å; G924-G926 VanDerWaalsContact C-N 3.27Å |
| 927 | R | 86.7 | Confident | 87 | Confident | 129 Ų | 129 | 40.2 Ų | 40.2 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -90.4 | 142.6 | 172.5 | -73.1 | -176.7 | 178.5 | -168.4 | -0.2 | 109.6 | M929 R930 W968 | R927-M929 PolarHBondContact O-N 3.2Å; R927-R930 HydrophobicContact CB-CB 4.31Å; R927-R930 HydrophobicContact CB-CG 4.48Å; R927-R930 PolarHBondContact O-N 3.41Å; R927-R930 VanDerWaalsContact O-N 3.17Å; R927-W968 HydrophobicContact CB-CH2 3.73Å; R927-W968 HydrophobicContact CB-CZ2 4.16Å; R927-W968 HydrophobicContact CB-CZ3 4.26Å; R927-W968 HydrophobicContact CG-CH2 3.75Å; R927-W968 HydrophobicContact CG-CZ2 3.78Å |
| 928 | P | 87.6 | Confident | 87.2 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.1 | 175.6 | -22.8 | 31.7 | 0 | 0 | 0 | 111.9 | V788 R885 R930 | V788-P928 HydrophobicContact CG1-CG 4.35Å; V788-P928 HydrophobicContact CG2-CB 4.04Å; V788-P928 HydrophobicContact CG2-CG 4.07Å; R885-P928 HydrophobicContact CB-CB 4.22Å; P928-R930 PolarHBondContact O-N 2.86Å |
| 929 | M | 89.1 | Confident | 87.2 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.6 | -179.3 | -59.1 | -60.9 | -68.5 | 0 | 0 | 115.3 | V866 V869 R870 R885 I886 R927 | V866-M929 HydrophobicContact CG1-CE 3.89Å; V866-M929 WeakPolarHBondContact O-CE 3.4Å; V869-M929 HydrophobicContact CG1-SD 4.49Å; R870-M929 HydrophobicContact CB-CE 3.74Å; R870-M929 HydrophobicContact CG-CE 4.42Å; R885-M929 HydrophobicContact CB-CG 4.1Å; R885-M929 HydrophobicContact CB-SD 4.29Å; R885-M929 HydrophobicContact CG-CG 4.07Å; I886-M929 HydrophobicContact CG1-SD 4.18Å; I886-M929 PolarHBondContact O-N 2.89Å; R927-M929 PolarHBondContact O-N 3.2Å |
| 930 | R | 88.7 | Confident | 87.2 | Confident | 115 Ų | 115 | 41.9 Ų | 41.9 | 43% | 0.434 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -125.2 | 147.2 | 172.7 | -64.4 | -168.2 | 177 | -155 | -2.6 | 110.4 | T888 R927 P928 W968 | T888-R930 PolarHBondContact OG1-O 3Å; R927-R930 HydrophobicContact CB-CB 4.31Å; R927-R930 HydrophobicContact CB-CG 4.48Å; R927-R930 PolarHBondContact O-N 3.41Å; R927-R930 VanDerWaalsContact O-N 3.17Å; P928-R930 PolarHBondContact O-N 2.86Å; R930-W968 HydrophobicContact CB-CD2 4.39Å; R930-W968 HydrophobicContact CB-CE3 3.61Å; R930-W968 HydrophobicContact CB-CZ3 3.73Å |
| 931 | I | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.3 | -176.9 | -55.3 | 163.2 | 0 | 0 | 0 | 109.5 | A862 L863 V866 T888 I890 I933 W968 L969 | A862-I931 HydrophobicContact CB-CD1 3.81Å; A862-I931 HydrophobicContact CB-CG1 4.22Å; A862-I931 HydrophobicContact CB-CG2 3.98Å; L863-I931 HydrophobicContact CB-CD1 4.38Å; L863-I931 HydrophobicContact CD2-CD1 3.56Å; L863-I931 HydrophobicContact CG-CD1 3.74Å; V866-I931 HydrophobicContact CG2-CD1 4.24Å; V866-I931 HydrophobicContact CG2-CG1 3.88Å; T888-I931 VanDerWaalsContact OG1-CA 3.25Å; T888-I931 WeakPolarHBondContact OG1-CA 3.46Å; T888-I931 WeakPolarHBondContact OG1-CG1 3.45Å; I890-I931 HydrophobicContact CD1-CG2 3.67Å; I890-I931 HydrophobicContact CG1-CG2 4.18Å; I931-I933 HydrophobicContact CG2-CD1 4.21Å; I931-I933 HydrophobicContact CG2-CG1 3.97Å; I931-W968 WeakPolarHBondContact O-CA 3.37Å; I931-L969 HydrophobicContact CB-CB 4.07Å; I931-L969 HydrophobicContact CD1-CD2 4.01Å; I931-L969 HydrophobicContact CD1-CG 4.36Å; I931-L969 HydrophobicContact CG2-CB 4.16Å; I931-L969 HydrophobicContact CG2-CD2 4.24Å; I931-L969 PolarHBondContact O-N 3.43Å |
| 932 | H | 90.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.5 | -179.9 | -159.3 | -163.5 | 0 | 0 | 0 | 110.5 | T888 G889 I890 M922 H953 A966 W968 | T888-H932 WeakPolarHBondContact O-CB 3.49Å; T888-H932 PolarHBondContact O-N 3.17Å; G889-H932 CarbonylContact C-O 3.59Å; G889-H932 WeakPolarHBondContact CA-O 3.5Å; I890-H932 PolarHBondContact N-O 2.86Å; M922-H932 PolarHBondContact O-ND1 2.98Å; H932-H953 AromaticContact NE2-CD2 3.61Å; H932-A966 WeakPolarHBondContact NE2-CB 3.48Å; H932-W968 HydrophobicContact CB-CE3 4.26Å; H932-W968 HydrophobicContact CB-CH2 4.26Å; H932-W968 HydrophobicContact CB-CZ3 3.64Å; H932-W968 AromaticContact CD2-CZ3 3.96Å; H932-W968 AromaticContact CG-CZ3 3.88Å |
| 933 | I | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.8 | -173.3 | -56.8 | -163.3 | 0 | 0 | 0 | 110.4 | I890 I931 T937 I941 F950 A966 Y967 L969 | I890-I933 HydrophobicContact CB-CG1 4.34Å; I890-I933 HydrophobicContact CD1-CD1 4.2Å; I890-I933 HydrophobicContact CD1-CG1 4.3Å; I931-I933 HydrophobicContact CG2-CD1 4.21Å; I931-I933 HydrophobicContact CG2-CG1 3.97Å; I933-T937 VanDerWaalsContact CG2-CB 3.4Å; I933-T937 HydrophobicContact CG2-CG2 3.46Å; I933-T937 VanDerWaalsContact CG2-CG2 3.46Å; I933-I941 HydrophobicContact CD1-CD1 4.22Å; I933-F950 HydrophobicContact CD1-CE1 4.43Å; I933-A966 WeakPolarHBondContact O-CA 3.46Å; I933-Y967 PolarHBondContact N-O 3.04Å; I933-Y967 PolarHBondContact O-N 2.96Å; I933-L969 HydrophobicContact CD1-CB 3.42Å; I933-L969 VanDerWaalsContact CD1-CB 3.42Å; I933-L969 HydrophobicContact CD1-CD2 3.83Å; I933-L969 HydrophobicContact CD1-CG 4.16Å; I933-L969 HydrophobicContact CG1-CB 4.08Å |
| 934 | E | 90.3 | Very high | 85.2 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 154.7 | 175.4 | -164 | -83.9 | 143.1 | 0 | 0 | 112.9 | I890 A891 V918 M922 S936 T937 Y938 Y956 | I890-E934 PolarHBondContact O-N 2.79Å; A891-E934 HydrophobicContact CB-CB 4.01Å; V918-E934 HydrophobicContact CG1-CG 3.82Å; M922-E934 HydrophobicContact CG-CB 4.05Å; M922-E934 HydrophobicContact SD-CB 4.17Å; M922-E934 HydrophobicContact SD-CG 4.47Å; E934-S936 VanDerWaalsContact C-N 3.33Å; E934-S936 VanDerWaalsContact CD-N 3.35Å; E934-S936 PolarHBondContact O-N 2.95Å; E934-S936 PolarHBondContact OE1-N 3.17Å; E934-S936 WeakPolarHBondContact OE2-CA 3.2Å; E934-S936 WeakPolarHBondContact OE2-CB 3.23Å; E934-S936 PolarHBondContact OE2-N 3.04Å; E934-S936 PolarHBondContact OE2-OG 2.77Å; E934-T937 WeakPolarHBondContact O-CB 3.47Å; E934-T937 PolarHBondContact O-N 2.82Å; E934-Y938 PolarHBondContact O-N 3.1Å; E934-Y956 HydrophobicContact CG-CE1 4.44Å; E934-Y956 WeakPolarHBondContact CG-OH 3.3Å |
| 935 | Q | 88.1 | Confident | 84 | Confident | 36 Ų | 36 | 49 Ų | 49 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.6 | -43.9 | -178 | 177.5 | 68.6 | 46.1 | 0 | 0 | 113.7 | T937 Y938 D939 R965 Y967 | Q935-T937 VanDerWaalsContact C-N 3.28Å; Q935-T937 PolarHBondContact O-N 2.78Å; Q935-Y938 WeakPolarHBondContact O-CB 3.23Å; Q935-Y938 PolarHBondContact O-N 3.4Å; Q935-D939 PolarHBondContact NE2-OD1 3.45Å; Q935-D939 PolarHBondContact NE2-OD2 3.26Å; Q935-D939 VanDerWaalsContact O-CG 3.28Å; Q935-D939 PolarHBondContact O-N 2.9Å; Q935-R965 HydrophobicContact CB-CB 4.36Å; Q935-R965 WeakPolarHBondContact CB-O 3.47Å; Q935-R965 PolarHBondContact N-O 3.44Å; Q935-Y967 PolarHBondContact OE1-OH 3.43Å |
| 936 | S | 87.3 | Confident | 83 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 179.1 | 84.2 | 0 | 0 | 0 | 0 | 112.1 | S892 E934 D939 L940 | S892-S936 PolarHBondContact N-OG 2.79Å; S892-S936 PolarHBondContact O-OG 3.37Å; E934-S936 VanDerWaalsContact C-N 3.33Å; E934-S936 VanDerWaalsContact CD-N 3.35Å; E934-S936 PolarHBondContact O-N 2.95Å; E934-S936 PolarHBondContact OE1-N 3.17Å; E934-S936 WeakPolarHBondContact OE2-CA 3.2Å; E934-S936 WeakPolarHBondContact OE2-CB 3.23Å; E934-S936 PolarHBondContact OE2-N 3.04Å; E934-S936 PolarHBondContact OE2-OG 2.77Å; S936-D939 PolarHBondContact O-N 2.87Å; S936-L940 VanDerWaalsContact O-CG 3.31Å; S936-L940 WeakPolarHBondContact O-CG 3.33Å; S936-L940 PolarHBondContact O-N 2.76Å; S936-L940 VanDerWaalsContact O-N 3.09Å |
| 937 | T | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.3 | -39.2 | 179.8 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | A855 I890 A891 S892 I933 E934 Q935 D939 L940 I941 | A855-T937 HydrophobicContact CB-CG2 4.33Å; I890-T937 HydrophobicContact CG2-CG2 3.81Å; A891-T937 VanDerWaalsContact CA-OG1 3.32Å; A891-T937 WeakPolarHBondContact CA-OG1 3.26Å; S892-T937 VanDerWaalsContact CB-OG1 3.26Å; S892-T937 WeakPolarHBondContact CB-OG1 3.48Å; S892-T937 PolarHBondContact N-OG1 3.04Å; S892-T937 PolarHBondContact OG-OG1 3.12Å; I933-T937 VanDerWaalsContact CG2-CB 3.4Å; I933-T937 HydrophobicContact CG2-CG2 3.46Å; I933-T937 VanDerWaalsContact CG2-CG2 3.46Å; E934-T937 WeakPolarHBondContact O-CB 3.47Å; E934-T937 PolarHBondContact O-N 2.82Å; Q935-T937 VanDerWaalsContact C-N 3.28Å; Q935-T937 PolarHBondContact O-N 2.78Å; T937-D939 VanDerWaalsContact C-N 3.34Å; T937-L940 PolarHBondContact O-N 2.8Å; T937-I941 HydrophobicContact CG2-CD1 3.65Å; T937-I941 HydrophobicContact CG2-CG1 4.34Å; T937-I941 VanDerWaalsContact O-CG1 3.23Å; T937-I941 WeakPolarHBondContact O-CG1 3.36Å; T937-I941 PolarHBondContact O-N 3.24Å |
| 938 | Y | 87.9 | Confident | 82 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 171.5 | 172.5 | -99.5 | 0 | 0 | 0 | 111.4 | E934 Q935 L940 I941 K942 F950 Y967 | E934-Y938 PolarHBondContact O-N 3.1Å; Q935-Y938 WeakPolarHBondContact O-CB 3.23Å; Q935-Y938 PolarHBondContact O-N 3.4Å; Y938-L940 VanDerWaalsContact C-N 3.31Å; Y938-L940 PolarHBondContact O-N 3.15Å; Y938-I941 PolarHBondContact O-N 2.94Å; Y938-K942 HydrophobicContact CE1-CD 4.02Å; Y938-K942 WeakPolarHBondContact O-CB 3.37Å; Y938-K942 PolarHBondContact O-N 3.09Å; Y938-F950 HydrophobicContact CD2-CB 4.3Å; Y938-F950 AromaticContact CD2-CD1 3.9Å; Y938-F950 HydrophobicContact CD2-CD1 3.9Å; Y938-F950 HydrophobicContact CD2-CD2 4.15Å; Y938-F950 HydrophobicContact CD2-CE1 4.22Å; Y938-F950 HydrophobicContact CD2-CE2 4.47Å; Y938-F950 AromaticContact CD2-CG 3.86Å; Y938-F950 HydrophobicContact CD2-CG 3.86Å; Y938-F950 HydrophobicContact CD2-CZ 4.49Å; Y938-F950 HydrophobicContact CE2-CB 3.86Å; Y938-F950 HydrophobicContact CE2-CD1 4.21Å; Y938-F950 AromaticContact CE2-CD2 3.74Å; Y938-F950 HydrophobicContact CE2-CD2 3.74Å; Y938-F950 HydrophobicContact CE2-CE2 4.32Å; Y938-F950 AromaticContact CE2-CG 3.67Å; Y938-F950 HydrophobicContact CE2-CG 3.67Å; Y938-Y967 AromaticContact CD1-CD2 3.97Å; Y938-Y967 HydrophobicContact CD1-CD2 3.97Å; Y938-Y967 HydrophobicContact CD1-CE1 4.11Å; Y938-Y967 AromaticContact CD1-CE2 3.52Å; Y938-Y967 HydrophobicContact CD1-CE2 3.52Å; Y938-Y967 HydrophobicContact CD1-CG 4.45Å; Y938-Y967 AromaticContact CD1-CZ 3.6Å; Y938-Y967 AromaticContact CD2-CD1 3.92Å; Y938-Y967 HydrophobicContact CD2-CD1 3.92Å; Y938-Y967 AromaticContact CD2-CD2 3.9Å; Y938-Y967 HydrophobicContact CD2-CD2 3.9Å; Y938-Y967 HydrophobicContact CD2-CE1 4.28Å; Y938-Y967 HydrophobicContact CD2-CE2 4.26Å; Y938-Y967 AromaticContact CD2-CG 3.72Å; Y938-Y967 HydrophobicContact CD2-CG 3.72Å; Y938-Y967 HydrophobicContact CE1-CD1 4.47Å; Y938-Y967 AromaticContact CE1-CE1 3.88Å; Y938-Y967 HydrophobicContact CE1-CE1 3.88Å; Y938-Y967 HydrophobicContact CE1-CE2 4.11Å; Y938-Y967 AromaticContact CE1-CZ 3.69Å; Y938-Y967 AromaticContact CE2-CD1 3.91Å; Y938-Y967 HydrophobicContact CE2-CD1 3.91Å; Y938-Y967 HydrophobicContact CE2-CE1 4.09Å; Y938-Y967 HydrophobicContact CE2-CG 4.2Å; Y938-Y967 HydrophobicContact CG-CD1 4.22Å; Y938-Y967 AromaticContact CG-CD2 3.5Å; Y938-Y967 HydrophobicContact CG-CD2 3.5Å; Y938-Y967 HydrophobicContact CG-CE1 4.28Å; Y938-Y967 AromaticContact CG-CE2 3.59Å; Y938-Y967 HydrophobicContact CG-CE2 3.59Å; Y938-Y967 AromaticContact CG-CG 3.85Å; Y938-Y967 HydrophobicContact CG-CG 3.85Å; Y938-Y967 AromaticContact CG-CZ 3.99Å; Y938-Y967 AromaticContact CZ-CE1 3.87Å |
| 939 | D | 86.3 | Confident | 81.7 | Confident | 77 Ų | 77 | 51 Ų | 51 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 179.2 | -69.2 | -31.2 | 0 | 0 | 0 | 112.2 | Q935 S936 T937 | Q935-D939 PolarHBondContact NE2-OD1 3.45Å; Q935-D939 PolarHBondContact NE2-OD2 3.26Å; Q935-D939 VanDerWaalsContact O-CG 3.28Å; Q935-D939 PolarHBondContact O-N 2.9Å; S936-D939 PolarHBondContact O-N 2.87Å; T937-D939 VanDerWaalsContact C-N 3.34Å |
| 940 | L | 85.5 | Confident | 81.4 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.5 | -35.3 | 175 | -73.1 | 175.3 | 0 | 0 | 0 | 113.8 | P851 S852 A855 S936 T937 Y938 T943 | P851-L940 HydrophobicContact CB-CD1 4.29Å; P851-L940 HydrophobicContact CB-CD2 3.86Å; S852-L940 WeakPolarHBondContact CB-O 3.45Å; A855-L940 HydrophobicContact CB-CB 3.83Å; A855-L940 HydrophobicContact CB-CD1 4.26Å; S936-L940 VanDerWaalsContact O-CG 3.31Å; S936-L940 WeakPolarHBondContact O-CG 3.33Å; S936-L940 PolarHBondContact O-N 2.76Å; S936-L940 VanDerWaalsContact O-N 3.09Å; T937-L940 PolarHBondContact O-N 2.8Å; Y938-L940 VanDerWaalsContact C-N 3.31Å; Y938-L940 PolarHBondContact O-N 3.15Å; L940-T943 PolarHBondContact O-OG1 2.9Å |
| 941 | I | 82.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.7 | -26 | 179.3 | -55.9 | 163.1 | 0 | 0 | 0 | 110.8 | A855 A859 I933 T937 Y938 T943 H944 F948 F950 | A855-I941 HydrophobicContact CB-CD1 4.34Å; A855-I941 HydrophobicContact CB-CG1 3.68Å; A859-I941 HydrophobicContact CB-CD1 3.81Å; I933-I941 HydrophobicContact CD1-CD1 4.22Å; T937-I941 HydrophobicContact CG2-CD1 3.65Å; T937-I941 HydrophobicContact CG2-CG1 4.34Å; T937-I941 VanDerWaalsContact O-CG1 3.23Å; T937-I941 WeakPolarHBondContact O-CG1 3.36Å; T937-I941 PolarHBondContact O-N 3.24Å; Y938-I941 PolarHBondContact O-N 2.94Å; I941-T943 PolarHBondContact O-N 3.38Å; I941-T943 VanDerWaalsContact O-N 3.15Å; I941-H944 CarbonylContact O-C 3.58Å; I941-H944 WeakPolarHBondContact O-CA 3.45Å; I941-H944 WeakPolarHBondContact O-CB 3.32Å; I941-H944 PolarHBondContact O-N 3.33Å; I941-F948 HydrophobicContact CG2-CB 4.38Å; I941-F948 HydrophobicContact CG2-CD2 3.16Å; I941-F948 HydrophobicContact CG2-CE2 3.47Å; I941-F948 VanDerWaalsContact CG2-CE2 3.47Å; I941-F948 HydrophobicContact CG2-CG 3.9Å; I941-F948 HydrophobicContact CG2-CZ 4.41Å; I941-F950 HydrophobicContact CB-CZ 3.97Å; I941-F950 HydrophobicContact CG2-CE1 4.48Å; I941-F950 HydrophobicContact CG2-CE2 4.45Å; I941-F950 HydrophobicContact CG2-CZ 3.61Å |
| 942 | K | 76.9 | Confident | 80.7 | Confident | 105 Ų | 105 | 53.4 Ų | 53.4 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -28.4 | 176.8 | -175.6 | -178.1 | 178.8 | -170.1 | 0 | 111.8 | Y938 H944 T945 | Y938-K942 HydrophobicContact CE1-CD 4.02Å; Y938-K942 WeakPolarHBondContact O-CB 3.37Å; Y938-K942 PolarHBondContact O-N 3.09Å; K942-H944 PolarHBondContact O-N 3.3Å; K942-H944 VanDerWaalsContact O-N 3.1Å; K942-T945 HydrophobicContact CG-CG2 4.38Å; K942-T945 WeakPolarHBondContact O-CG2 3.16Å; K942-T945 PolarHBondContact O-N 3.33Å; K942-T945 VanDerWaalsContact O-N 3.14Å |
| 943 | T | 74.3 | Confident | 80 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.5 | 172.5 | 62 | 0 | 0 | 0 | 0 | 112.8 | L940 I941 | L940-T943 PolarHBondContact O-OG1 2.9Å; I941-T943 PolarHBondContact O-N 3.38Å; I941-T943 VanDerWaalsContact O-N 3.15Å |
| 944 | H | 66.9 | Low | 79.3 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 46.2 | 174.3 | -59.5 | -67.6 | 0 | 0 | 0 | 111.3 | S852 I941 K942 D946 L947 | S852-H944 PolarHBondContact OG-NE2 2.85Å; I941-H944 CarbonylContact O-C 3.58Å; I941-H944 WeakPolarHBondContact O-CA 3.45Å; I941-H944 WeakPolarHBondContact O-CB 3.32Å; I941-H944 PolarHBondContact O-N 3.33Å; K942-H944 PolarHBondContact O-N 3.3Å; K942-H944 VanDerWaalsContact O-N 3.1Å; H944-D946 PolarHBondContact O-N 2.92Å; H944-L947 HydrophobicContact CB-CD1 4.23Å; H944-L947 PolarHBondContact O-N 3.06Å |
| 945 | T | 56.7 | Low | 78.4 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -26.7 | -175.2 | 45.1 | 0 | 0 | 0 | 0 | 114.9 | K942 L947 K973 | K942-T945 HydrophobicContact CG-CG2 4.38Å; K942-T945 WeakPolarHBondContact O-CG2 3.16Å; K942-T945 PolarHBondContact O-N 3.33Å; K942-T945 VanDerWaalsContact O-N 3.14Å; T945-L947 VanDerWaalsContact C-N 3.31Å; T945-K973 WeakPolarHBondContact O-CE 2.98Å; T945-K973 PolarHBondContact O-NZ 2.88Å |
| 946 | D | 63 | Low | 77.5 | Confident | 111 Ų | 111 | 62.1 Ų | 62.1 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -15 | -171.6 | -53.4 | -19.3 | 0 | 0 | 0 | 112.4 | H944 K973 | H944-D946 PolarHBondContact O-N 2.92Å; D946-K973 WeakPolarHBondContact O-CB 3.01Å |
| 947 | L | 69.5 | Low | 76.3 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -38.1 | -173.9 | -66.6 | 174.5 | 0 | 0 | 0 | 113.3 | H944 T945 V972 K973 | H944-L947 HydrophobicContact CB-CD1 4.23Å; H944-L947 PolarHBondContact O-N 3.06Å; T945-L947 VanDerWaalsContact C-N 3.31Å; L947-V972 CarbonylContact O-C 3.54Å; L947-V972 WeakPolarHBondContact O-CA 3.23Å; L947-V972 WeakPolarHBondContact O-CG1 3.5Å; L947-K973 PolarHBondContact O-N 3.09Å |
| 948 | F | 80.3 | Confident | 74.9 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150 | -167.6 | -57.5 | -79.2 | 0 | 0 | 0 | 113.7 | R856 A859 M860 L863 I941 F950 L969 | R856-F948 HydrophobicContact CG-CE2 3.89Å; R856-F948 HydrophobicContact CG-CZ 3.92Å; A859-F948 HydrophobicContact CB-CD1 4.47Å; A859-F948 HydrophobicContact CB-CE1 3.84Å; A859-F948 HydrophobicContact CB-CZ 3.93Å; M860-F948 HydrophobicContact CG-CE1 4.22Å; M860-F948 HydrophobicContact CG-CZ 4.02Å; M860-F948 HydrophobicContact SD-CE1 3.81Å; M860-F948 HydrophobicContact SD-CZ 4.03Å; L863-F948 HydrophobicContact CD1-CD1 4.07Å; L863-F948 HydrophobicContact CD1-CE1 4.05Å; I941-F948 HydrophobicContact CG2-CB 4.38Å; I941-F948 HydrophobicContact CG2-CD2 3.16Å; I941-F948 HydrophobicContact CG2-CE2 3.47Å; I941-F948 VanDerWaalsContact CG2-CE2 3.47Å; I941-F948 HydrophobicContact CG2-CG 3.9Å; I941-F948 HydrophobicContact CG2-CZ 4.41Å; F948-F950 HydrophobicContact CB-CD2 4.46Å; F948-F950 HydrophobicContact CB-CE1 4.25Å; F948-F950 HydrophobicContact CB-CE2 3.59Å; F948-F950 HydrophobicContact CB-CZ 3.47Å; F948-F950 VanDerWaalsContact CB-CZ 3.47Å; F948-F950 HydrophobicContact CG-CZ 4.24Å; F948-L969 HydrophobicContact CB-CD1 3.8Å; F948-L969 HydrophobicContact CD1-CD1 3.77Å; F948-L969 HydrophobicContact CG-CD1 4.1Å |
| 949 | R | 81.3 | Confident | 73.7 | Confident | 160 Ų | 160 | 72 Ų | 72 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.1 | 172.5 | -166.4 | 178.5 | -162.4 | 158.9 | 5.1 | 109.9 | D970 S971 | R949-D970 PolarHBondContact O-N 2.78Å; R949-S971 PolarHBondContact N-O 3.41Å |
| 950 | F | 83.2 | Confident | 72.5 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147 | -178.7 | -54.7 | -82.8 | 0 | 0 | 0 | 111.4 | I933 Y938 I941 F948 W968 L969 | I933-F950 HydrophobicContact CD1-CE1 4.43Å; Y938-F950 HydrophobicContact CD2-CB 4.3Å; Y938-F950 AromaticContact CD2-CD1 3.9Å; Y938-F950 HydrophobicContact CD2-CD1 3.9Å; Y938-F950 HydrophobicContact CD2-CD2 4.15Å; Y938-F950 HydrophobicContact CD2-CE1 4.22Å; Y938-F950 HydrophobicContact CD2-CE2 4.47Å; Y938-F950 AromaticContact CD2-CG 3.86Å; Y938-F950 HydrophobicContact CD2-CG 3.86Å; Y938-F950 HydrophobicContact CD2-CZ 4.49Å; Y938-F950 HydrophobicContact CE2-CB 3.86Å; Y938-F950 HydrophobicContact CE2-CD1 4.21Å; Y938-F950 AromaticContact CE2-CD2 3.74Å; Y938-F950 HydrophobicContact CE2-CD2 3.74Å; Y938-F950 HydrophobicContact CE2-CE2 4.32Å; Y938-F950 AromaticContact CE2-CG 3.67Å; Y938-F950 HydrophobicContact CE2-CG 3.67Å; I941-F950 HydrophobicContact CB-CZ 3.97Å; I941-F950 HydrophobicContact CG2-CE1 4.48Å; I941-F950 HydrophobicContact CG2-CE2 4.45Å; I941-F950 HydrophobicContact CG2-CZ 3.61Å; F948-F950 HydrophobicContact CB-CD2 4.46Å; F948-F950 HydrophobicContact CB-CE1 4.25Å; F948-F950 HydrophobicContact CB-CE2 3.59Å; F948-F950 HydrophobicContact CB-CZ 3.47Å; F948-F950 VanDerWaalsContact CB-CZ 3.47Å; F948-F950 HydrophobicContact CG-CZ 4.24Å; F950-W968 CarbonylContact C-O 3.54Å; F950-W968 WeakPolarHBondContact CA-O 3.46Å; F950-L969 HydrophobicContact CD1-CB 4.36Å; F950-L969 HydrophobicContact CD1-CD1 4.02Å; F950-L969 HydrophobicContact CE1-CB 4.37Å; F950-L969 HydrophobicContact CE1-CD1 3.62Å; F950-L969 HydrophobicContact CZ-CD1 4.19Å |
| 951 | S | 83.5 | Confident | 71.4 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.4 | 166.9 | -70.8 | 0 | 0 | 0 | 0 | 109.8 | H953 Y967 W968 D970 | S951-H953 PolarHBondContact O-N 2.54Å; S951-Y967 CarbonylContact O-C 3.4Å; S951-Y967 WeakPolarHBondContact O-CA 3.3Å; S951-W968 PolarHBondContact N-O 3.01Å; S951-W968 PolarHBondContact O-N 3.5Å; S951-D970 VanDerWaalsContact CB-OD2 3.23Å; S951-D970 WeakPolarHBondContact CB-OD2 3.49Å; S951-D970 PolarHBondContact N-OD2 3.06Å; S951-D970 PolarHBondContact OG-OD2 3.15Å |
| 952 | Y | 81.7 | Confident | 70.6 | Confident | 125 Ų | 125 | 83.5 Ų | 83.5 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.7 | 173.5 | 178.7 | -103.4 | 0 | 0 | 0 | 110.3 | H955 R965 Y967 | Y952-H955 PolarHBondContact OH-N 2.93Å; Y952-R965 HydrophobicContact CE2-CB 4.18Å; Y952-R965 HydrophobicContact CE2-CG 4.24Å; Y952-Y967 HydrophobicContact CD2-CD1 4.18Å; Y952-Y967 AromaticContact CD2-CE1 3.8Å; Y952-Y967 HydrophobicContact CD2-CE1 3.8Å |
| 953 | H | 75 | Confident | 70.4 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 21% | 0.213 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -75.2 | 178 | -173.2 | 28.7 | 0 | 0 | 0 | 112.3 | H932 S951 A966 W968 | H932-H953 AromaticContact NE2-CD2 3.61Å; S951-H953 PolarHBondContact O-N 2.54Å; H953-A966 PolarHBondContact N-O 3.35Å; H953-W968 HydrophobicContact CB-CD2 4.45Å; H953-W968 HydrophobicContact CB-CG 4.36Å; H953-W968 HydrophobicContact CB-CZ2 4.31Å; H953-W968 AromaticContact CD2-CE2 3.68Å; H953-W968 AromaticContact CD2-CZ2 3.27Å; H953-W968 WeakPolarHBondContact CD2-CZ2 3.15Å; H953-W968 AromaticContact CD2-NE1 3.82Å; H953-W968 AromaticContact CE1-CZ2 3.61Å; H953-W968 AromaticContact CE1-NE1 3.79Å; H953-W968 AromaticContact CG-CD1 3.95Å; H953-W968 AromaticContact CG-CE2 3.38Å; H953-W968 AromaticContact CG-CZ2 3.49Å; H953-W968 VanDerWaalsContact CG-CZ2 3.49Å; H953-W968 AromaticContact CG-NE1 3.04Å; H953-W968 AromaticContact ND1-CE2 3.62Å; H953-W968 AromaticContact ND1-CZ2 3.69Å; H953-W968 AromaticContact ND1-NE1 3.04Å; H953-W968 PolarHBondContact ND1-NE1 3.45Å; H953-W968 AromaticContact NE2-CZ2 3.35Å; H953-W968 WeakPolarHBondContact NE2-CZ2 3.44Å |
| 954 | T | 77.4 | Confident | 70.3 | Confident | 57 Ų | 57 | 82 Ų | 82 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 168.5 | -170.3 | 51 | 0 | 0 | 0 | 0 | 109.7 | A966 | T954-A966 PolarHBondContact O-N 3.12Å |
| 955 | H | 71 | Confident | 71.1 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.2 | 159.4 | 56.9 | -81.3 | 0 | 0 | 0 | 109.1 | Y952 I963 L964 | Y952-H955 PolarHBondContact OH-N 2.93Å; H955-I963 HydrophobicContact CB-CG2 3.69Å; H955-L964 CarbonylContact C-O 3.51Å; H955-L964 VanDerWaalsContact CA-O 3.26Å; H955-L964 WeakPolarHBondContact CA-O 3.42Å |
| 956 | Y | 68.1 | Low | 72.5 | Confident | 16 Ų | 16 | 83.3 Ų | 83.3 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.8 | 172.6 | 69.3 | -85.6 | 0 | 0 | 0 | 109.3 | M922 E934 T958 L964 A966 | M922-Y956 HydrophobicContact CE-CD1 3.67Å; M922-Y956 HydrophobicContact CE-CD2 4.04Å; M922-Y956 HydrophobicContact CE-CE1 3.29Å; M922-Y956 HydrophobicContact CE-CE2 3.66Å; M922-Y956 HydrophobicContact CE-CG 4.03Å; M922-Y956 HydrophobicContact SD-CD1 4.48Å; M922-Y956 HydrophobicContact SD-CE1 3.85Å; E934-Y956 HydrophobicContact CG-CE1 4.44Å; E934-Y956 WeakPolarHBondContact CG-OH 3.3Å; Y956-T958 HydrophobicContact CD2-CG2 4.37Å; Y956-T958 HydrophobicContact CE2-CG2 3.85Å; Y956-L964 HydrophobicContact CD1-CB 4.19Å; Y956-L964 WeakPolarHBondContact CD1-O 3.34Å; Y956-L964 HydrophobicContact CD2-CB 4.46Å; Y956-L964 HydrophobicContact CE1-CB 3.56Å; Y956-L964 HydrophobicContact CE2-CB 3.89Å; Y956-L964 HydrophobicContact CE2-CD1 3.96Å; Y956-L964 HydrophobicContact CE2-CG 4.48Å; Y956-L964 PolarHBondContact N-O 3.5Å; Y956-L964 PolarHBondContact O-N 3.44Å; Y956-L964 VanDerWaalsContact OH-CD1 3.23Å; Y956-L964 WeakPolarHBondContact OH-CD1 3.06Å; Y956-A966 HydrophobicContact CD1-CB 4.1Å; Y956-A966 HydrophobicContact CE1-CB 4.16Å |
| 957 | V | 62.2 | Low | 73.7 | Confident | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.2 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | K962 I963 | V957-K962 WeakPolarHBondContact CA-O 3.18Å; V957-I963 HydrophobicContact CG2-CG1 4.26Å |
| 958 | T | 59.9 | Low | 74.6 | Confident | 17 Ų | 17 | 76.3 Ų | 76.3 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | trans | -73.8 | 166.8 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | Y956 D960 N961 K962 L964 | Y956-T958 HydrophobicContact CD2-CG2 4.37Å; Y956-T958 HydrophobicContact CE2-CG2 3.85Å; T958-D960 PolarHBondContact O-N 3.37Å; T958-N961 PolarHBondContact O-N 3.07Å; T958-K962 PolarHBondContact N-O 3.15Å; T958-K962 WeakPolarHBondContact OG1-CB 3.26Å; T958-K962 PolarHBondContact OG1-N 3.11Å; T958-K962 VanDerWaalsContact OG1-N 3.16Å; T958-K962 PolarHBondContact OG1-O 3.43Å; T958-L964 HydrophobicContact CG2-CD1 3.57Å; T958-L964 HydrophobicContact CG2-CG 4.31Å | ||
| 959 | E | 61.8 | Low | 74.9 | Confident | 195 Ų | 195 | 76.3 Ų | 76.3 | 91% | 0.911 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.4 | 172.7 | -65.9 | -175.3 | 169.5 | 0 | 0 | 112.2 | N961 | E959-N961 PolarHBondContact O-N 3.11Å; E959-N961 VanDerWaalsContact O-N 3.15Å |
| 960 | D | 61.8 | Low | 74.9 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 13.4 | 173.7 | -61.8 | -26.2 | 0 | 0 | 0 | 114.7 | T958 K962 | T958-D960 PolarHBondContact O-N 3.37Å; D960-K962 HydrophobicContact CB-CG 4.44Å; D960-K962 PolarHBondContact O-N 2.8Å; D960-K962 VanDerWaalsContact O-N 3.13Å |
| 961 | N | 62.7 | Low | 74.5 | Confident | 137 Ų | 137 | 71.7 Ų | 71.7 | 73% | 0.733 | 36% | 0.355 | S | S | * | . | trans | 58.1 | 19.9 | -174.4 | -72.8 | -35.2 | 0 | 0 | 0 | 115.4 | T958 E959 | T958-N961 PolarHBondContact O-N 3.07Å; E959-N961 PolarHBondContact O-N 3.11Å; E959-N961 VanDerWaalsContact O-N 3.15Å | ||
| 962 | K | 65.4 | Low | 74 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | trans | -83.7 | 125.7 | 174.7 | -64.6 | 177.5 | -178.5 | 163.7 | 0 | 110.2 | V957 T958 D960 L964 | V957-K962 WeakPolarHBondContact CA-O 3.18Å; T958-K962 PolarHBondContact N-O 3.15Å; T958-K962 WeakPolarHBondContact OG1-CB 3.26Å; T958-K962 PolarHBondContact OG1-N 3.11Å; T958-K962 VanDerWaalsContact OG1-N 3.16Å; T958-K962 PolarHBondContact OG1-O 3.43Å; D960-K962 HydrophobicContact CB-CG 4.44Å; D960-K962 PolarHBondContact O-N 2.8Å; D960-K962 VanDerWaalsContact O-N 3.13Å; K962-L964 PolarHBondContact O-N 3.06Å | ||
| 963 | I | 72 | Confident | 73 | Confident | 121 Ų | 121 | 70.7 Ų | 70.7 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 101 | 173 | -56.3 | 170.9 | 0 | 0 | 0 | 108 | H955 V957 | H955-I963 HydrophobicContact CB-CG2 3.69Å; V957-I963 HydrophobicContact CG2-CG1 4.26Å |
| 964 | L | 73.9 | Confident | 71.5 | Confident | 43 Ų | 43 | 77.1 Ų | 77.1 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 146 | 174 | -67.1 | 174 | 0 | 0 | 0 | 109.7 | H955 Y956 T958 K962 | H955-L964 CarbonylContact C-O 3.51Å; H955-L964 VanDerWaalsContact CA-O 3.26Å; H955-L964 WeakPolarHBondContact CA-O 3.42Å; Y956-L964 HydrophobicContact CD1-CB 4.19Å; Y956-L964 WeakPolarHBondContact CD1-O 3.34Å; Y956-L964 HydrophobicContact CD2-CB 4.46Å; Y956-L964 HydrophobicContact CE1-CB 3.56Å; Y956-L964 HydrophobicContact CE2-CB 3.89Å; Y956-L964 HydrophobicContact CE2-CD1 3.96Å; Y956-L964 HydrophobicContact CE2-CG 4.48Å; Y956-L964 PolarHBondContact N-O 3.5Å; Y956-L964 PolarHBondContact O-N 3.44Å; Y956-L964 VanDerWaalsContact OH-CD1 3.23Å; Y956-L964 WeakPolarHBondContact OH-CD1 3.06Å; T958-L964 HydrophobicContact CG2-CD1 3.57Å; T958-L964 HydrophobicContact CG2-CG 4.31Å; K962-L964 PolarHBondContact O-N 3.06Å |
| 965 | R | 83 | Confident | 69.5 | Low | 141 Ų | 141 | 80.1 Ų | 80.1 | 53% | 0.532 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 149.8 | 177.2 | -64.3 | 175.6 | -173.3 | -179.3 | 2.8 | 109.4 | Q935 Y952 Y967 | Q935-R965 HydrophobicContact CB-CB 4.36Å; Q935-R965 WeakPolarHBondContact CB-O 3.47Å; Q935-R965 PolarHBondContact N-O 3.44Å; Y952-R965 HydrophobicContact CE2-CB 4.18Å; Y952-R965 HydrophobicContact CE2-CG 4.24Å; R965-Y967 HydrophobicContact CB-CE2 4.1Å |
| 966 | A | 85.1 | Confident | 68 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | M922 H932 I933 H953 T954 Y956 | M922-A966 HydrophobicContact SD-CB 4.17Å; H932-A966 WeakPolarHBondContact NE2-CB 3.48Å; I933-A966 WeakPolarHBondContact O-CA 3.46Å; H953-A966 PolarHBondContact N-O 3.35Å; T954-A966 PolarHBondContact O-N 3.12Å; Y956-A966 HydrophobicContact CD1-CB 4.1Å; Y956-A966 HydrophobicContact CE1-CB 4.16Å |
| 967 | Y | 88.5 | Confident | 66 | Low | 19 Ų | 19 | 83.5 Ų | 83.5 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.4 | -175.8 | -57.2 | -96.2 | 0 | 0 | 0 | 110.2 | I933 Q935 Y938 S951 Y952 R965 | I933-Y967 PolarHBondContact N-O 3.04Å; I933-Y967 PolarHBondContact O-N 2.96Å; Q935-Y967 PolarHBondContact OE1-OH 3.43Å; Y938-Y967 AromaticContact CD1-CD2 3.97Å; Y938-Y967 HydrophobicContact CD1-CD2 3.97Å; Y938-Y967 HydrophobicContact CD1-CE1 4.11Å; Y938-Y967 AromaticContact CD1-CE2 3.52Å; Y938-Y967 HydrophobicContact CD1-CE2 3.52Å; Y938-Y967 HydrophobicContact CD1-CG 4.45Å; Y938-Y967 AromaticContact CD1-CZ 3.6Å; Y938-Y967 AromaticContact CD2-CD1 3.92Å; Y938-Y967 HydrophobicContact CD2-CD1 3.92Å; Y938-Y967 AromaticContact CD2-CD2 3.9Å; Y938-Y967 HydrophobicContact CD2-CD2 3.9Å; Y938-Y967 HydrophobicContact CD2-CE1 4.28Å; Y938-Y967 HydrophobicContact CD2-CE2 4.26Å; Y938-Y967 AromaticContact CD2-CG 3.72Å; Y938-Y967 HydrophobicContact CD2-CG 3.72Å; Y938-Y967 HydrophobicContact CE1-CD1 4.47Å; Y938-Y967 AromaticContact CE1-CE1 3.88Å; Y938-Y967 HydrophobicContact CE1-CE1 3.88Å; Y938-Y967 HydrophobicContact CE1-CE2 4.11Å; Y938-Y967 AromaticContact CE1-CZ 3.69Å; Y938-Y967 AromaticContact CE2-CD1 3.91Å; Y938-Y967 HydrophobicContact CE2-CD1 3.91Å; Y938-Y967 HydrophobicContact CE2-CE1 4.09Å; Y938-Y967 HydrophobicContact CE2-CG 4.2Å; Y938-Y967 HydrophobicContact CG-CD1 4.22Å; Y938-Y967 AromaticContact CG-CD2 3.5Å; Y938-Y967 HydrophobicContact CG-CD2 3.5Å; Y938-Y967 HydrophobicContact CG-CE1 4.28Å; Y938-Y967 AromaticContact CG-CE2 3.59Å; Y938-Y967 HydrophobicContact CG-CE2 3.59Å; Y938-Y967 AromaticContact CG-CG 3.85Å; Y938-Y967 HydrophobicContact CG-CG 3.85Å; Y938-Y967 AromaticContact CG-CZ 3.99Å; Y938-Y967 AromaticContact CZ-CE1 3.87Å; S951-Y967 CarbonylContact O-C 3.4Å; S951-Y967 WeakPolarHBondContact O-CA 3.3Å; Y952-Y967 HydrophobicContact CD2-CD1 4.18Å; Y952-Y967 AromaticContact CD2-CE1 3.8Å; Y952-Y967 HydrophobicContact CD2-CE1 3.8Å; R965-Y967 HydrophobicContact CB-CE2 4.1Å |
| 968 | W | 88.3 | Confident | 64.7 | Low | 7 Ų | 7 | 83.7 Ų | 83.7 | 3% | 0.027 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.1 | 164.3 | -61.9 | 112.6 | 0 | 0 | 0 | 109.4 | R927 R930 I931 H932 F950 S951 H953 | R927-W968 HydrophobicContact CB-CH2 3.73Å; R927-W968 HydrophobicContact CB-CZ2 4.16Å; R927-W968 HydrophobicContact CB-CZ3 4.26Å; R927-W968 HydrophobicContact CG-CH2 3.75Å; R927-W968 HydrophobicContact CG-CZ2 3.78Å; R930-W968 HydrophobicContact CB-CD2 4.39Å; R930-W968 HydrophobicContact CB-CE3 3.61Å; R930-W968 HydrophobicContact CB-CZ3 3.73Å; I931-W968 WeakPolarHBondContact O-CA 3.37Å; H932-W968 HydrophobicContact CB-CE3 4.26Å; H932-W968 HydrophobicContact CB-CH2 4.26Å; H932-W968 HydrophobicContact CB-CZ3 3.64Å; H932-W968 AromaticContact CD2-CZ3 3.96Å; H932-W968 AromaticContact CG-CZ3 3.88Å; F950-W968 CarbonylContact C-O 3.54Å; F950-W968 WeakPolarHBondContact CA-O 3.46Å; S951-W968 PolarHBondContact N-O 3.01Å; S951-W968 PolarHBondContact O-N 3.5Å; H953-W968 HydrophobicContact CB-CD2 4.45Å; H953-W968 HydrophobicContact CB-CG 4.36Å; H953-W968 HydrophobicContact CB-CZ2 4.31Å; H953-W968 AromaticContact CD2-CE2 3.68Å; H953-W968 AromaticContact CD2-CZ2 3.27Å; H953-W968 WeakPolarHBondContact CD2-CZ2 3.15Å; H953-W968 AromaticContact CD2-NE1 3.82Å; H953-W968 AromaticContact CE1-CZ2 3.61Å; H953-W968 AromaticContact CE1-NE1 3.79Å; H953-W968 AromaticContact CG-CD1 3.95Å; H953-W968 AromaticContact CG-CE2 3.38Å; H953-W968 AromaticContact CG-CZ2 3.49Å; H953-W968 VanDerWaalsContact CG-CZ2 3.49Å; H953-W968 AromaticContact CG-NE1 3.04Å; H953-W968 AromaticContact ND1-CE2 3.62Å; H953-W968 AromaticContact ND1-CZ2 3.69Å; H953-W968 AromaticContact ND1-NE1 3.04Å; H953-W968 PolarHBondContact ND1-NE1 3.45Å; H953-W968 AromaticContact NE2-CZ2 3.35Å; H953-W968 WeakPolarHBondContact NE2-CZ2 3.44Å |
| 969 | L | 86.7 | Confident | 63 | Low | 5 Ų | 5 | 91.5 Ų | 91.5 | 3% | 0.026 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.1 | 162.8 | 172.2 | 68.9 | 0 | 0 | 0 | 108.5 | A859 L863 I931 I933 F948 F950 | A859-L969 HydrophobicContact CB-CD2 3.79Å; L863-L969 HydrophobicContact CD1-CD1 4.49Å; L863-L969 HydrophobicContact CD1-CD2 3.96Å; L863-L969 HydrophobicContact CD1-CG 4.3Å; L863-L969 HydrophobicContact CD2-CD2 4.35Å; L863-L969 HydrophobicContact CD2-CG 4.27Å; L863-L969 HydrophobicContact CG-CD2 3.9Å; L863-L969 HydrophobicContact CG-CG 4.33Å; I931-L969 HydrophobicContact CB-CB 4.07Å; I931-L969 HydrophobicContact CD1-CD2 4.01Å; I931-L969 HydrophobicContact CD1-CG 4.36Å; I931-L969 HydrophobicContact CG2-CB 4.16Å; I931-L969 HydrophobicContact CG2-CD2 4.24Å; I931-L969 PolarHBondContact O-N 3.43Å; I933-L969 HydrophobicContact CD1-CB 3.42Å; I933-L969 VanDerWaalsContact CD1-CB 3.42Å; I933-L969 HydrophobicContact CD1-CD2 3.83Å; I933-L969 HydrophobicContact CD1-CG 4.16Å; I933-L969 HydrophobicContact CG1-CB 4.08Å; F948-L969 HydrophobicContact CB-CD1 3.8Å; F948-L969 HydrophobicContact CD1-CD1 3.77Å; F948-L969 HydrophobicContact CG-CD1 4.1Å; F950-L969 HydrophobicContact CD1-CB 4.36Å; F950-L969 HydrophobicContact CD1-CD1 4.02Å; F950-L969 HydrophobicContact CE1-CB 4.37Å; F950-L969 HydrophobicContact CE1-CD1 3.62Å; F950-L969 HydrophobicContact CZ-CD1 4.19Å |
| 970 | D | 82.4 | Confident | 61.5 | Low | 64 Ų | 64 | 84.4 Ų | 84.4 | 34% | 0.342 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -46.5 | -170.7 | -66.4 | -43 | 0 | 0 | 0 | 112.4 | R949 S951 | R949-D970 PolarHBondContact O-N 2.78Å; S951-D970 VanDerWaalsContact CB-OD2 3.23Å; S951-D970 WeakPolarHBondContact CB-OD2 3.49Å; S951-D970 PolarHBondContact N-OD2 3.06Å; S951-D970 PolarHBondContact OG-OD2 3.15Å |
| 971 | S | 75.4 | Confident | 59.8 | Low | 45 Ų | 45 | 90.8 Ų | 90.8 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 171.3 | -177.6 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | R949 | R949-S971 PolarHBondContact N-O 3.41Å |
| 972 | V | 72.3 | Confident | 58.4 | Low | 32 Ų | 32 | 91.3 Ų | 91.3 | 19% | 0.194 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 145.2 | 159.1 | -168 | 0 | 0 | 0 | 0 | 108.1 | M860 L863 L947 W974 | M860-V972 HydrophobicContact SD-CG2 4.19Å; L863-V972 HydrophobicContact CD1-CG2 3.59Å; L947-V972 CarbonylContact O-C 3.54Å; L947-V972 WeakPolarHBondContact O-CA 3.23Å; L947-V972 WeakPolarHBondContact O-CG1 3.5Å; V972-W974 VanDerWaalsContact C-N 3.28Å; V972-W974 HydrophobicContact CG1-CB 4.3Å |
| 973 | K | 59.9 | Low | 56.6 | Low | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -70.1 | -26.2 | 173.2 | -80.1 | -179 | 176.7 | 175.4 | 0 | 112.4 | T945 D946 L947 | T945-K973 WeakPolarHBondContact O-CE 2.98Å; T945-K973 PolarHBondContact O-NZ 2.88Å; D946-K973 WeakPolarHBondContact O-CB 3.01Å; L947-K973 PolarHBondContact O-N 3.09Å |
| 974 | W | 44 | Very low | 54.8 | Low | 182 Ų | 182 | 95.7 Ų | 95.7 | 69% | 0.689 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -96.3 | 128.2 | 175.8 | -80 | 88.3 | 0 | 0 | 0 | 111.2 | V972 I976 | V972-W974 VanDerWaalsContact C-N 3.28Å; V972-W974 HydrophobicContact CG1-CB 4.3Å; W974-I976 PolarHBondContact O-N 3.41Å |
| 975 | P | 35.1 | Very low | 52.5 | Low | 119 Ų | 119 | 103 Ų | 103 | 77% | 0.773 | 51% | 0.507 | S | S | * | . | trans | -76.1 | 96.2 | 177.2 | 30.7 | -31.1 | 0 | 0 | 0 | 109.5 | S977 | P975-S977 PolarHBondContact O-N 3.46Š| ||
| 976 | I | 39 | Very low | 49.8 | Very low | 103 Ų | 103 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | trans | -70.4 | 108.2 | 157.1 | -56.5 | 170.9 | 0 | 0 | 0 | 105.1 | M860 W974 L978 | M860-I976 HydrophobicContact CE-CD1 4.07Å; W974-I976 PolarHBondContact O-N 3.41Å; I976-L978 HydrophobicContact CG2-CG 4.37Å; I976-L978 PolarHBondContact O-N 2.54Å | ||
| 977 | S | 27.1 | Very low | 46.9 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | trans | -61.7 | 98 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | P975 Q979 | P975-S977 PolarHBondContact O-N 3.46Å; S977-Q979 VanDerWaalsContact C-N 3.25Å | ||
| 978 | L | 34.9 | Very low | 44 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 40% | 0.403 | 57% | 0.573 | S | S | . | * | trans | -87.4 | 8.3 | 173.4 | -72.3 | 160.9 | 0 | 0 | 0 | 112 | H867 I976 G980 | H867-L978 HydrophobicContact CB-CD1 4.46Å; H867-L978 WeakPolarHBondContact NE2-CB 3.41Å; I976-L978 HydrophobicContact CG2-CG 4.37Å; I976-L978 PolarHBondContact O-N 2.54Å; L978-G980 VanDerWaalsContact C-N 3.27Å; L978-G980 PolarHBondContact O-N 3.39Å; L978-G980 VanDerWaalsContact O-N 3.12Å | ||
| 979 | Q | 24.7 | Very low | 41.2 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 85% | 0.85 | 61% | 0.609 | S | S | * | * | trans | -86.8 | 60.9 | 178.2 | -71.1 | -174.7 | -5.2 | 0 | 0 | 111.6 | S977 | S977-Q979 VanDerWaalsContact C-N 3.25Š| ||
| 980 | G | 29.8 | Very low | 38.5 | Very low | 45 Ų | 45 | 127.4 Ų | 127.4 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | trans | -90 | 115.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L978 | L978-G980 VanDerWaalsContact C-N 3.27Å; L978-G980 PolarHBondContact O-N 3.39Å; L978-G980 VanDerWaalsContact O-N 3.12Å | ||
| 981 | R | 25.5 | Very low | 35.9 | Very low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 66% | 0.656 | S | S | * | * | trans | -59.8 | 152.3 | -177.9 | -87.9 | -179.5 | 172.4 | 174.8 | -2.3 | 113.4 | D983 | R981-D983 PolarHBondContact O-N 2.83Š| ||
| 982 | I | 32.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | trans | -90.6 | 43 | -164.9 | -64.7 | 158.7 | 0 | 0 | 0 | 112.5 | ||||
| 983 | D | 28.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -101.5 | 95.2 | 178.5 | -67.3 | -25.3 | 0 | 0 | 0 | 111.2 | R981 K985 | R981-D983 PolarHBondContact O-N 2.83Å; D983-K985 VanDerWaalsContact C-N 3.26Å; D983-K985 PolarHBondContact O-N 2.78Å |
| 984 | E | 33.8 | Very low | 30.4 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 49.7 | 9 | 159.8 | -63.5 | -169 | 165.1 | 0 | 0 | 120.9 | ||
| 985 | K | 26.2 | Very low | 29.6 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -133.8 | 137.1 | 170.9 | -69.6 | -174.5 | -179.4 | 175.7 | 0 | 113.2 | D983 | D983-K985 VanDerWaalsContact C-N 3.26Å; D983-K985 PolarHBondContact O-N 2.78Å |
| 986 | R | 25 | Very low | 29.4 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -53.5 | 136.7 | -173.6 | -70.4 | 177.6 | 179.2 | -177.5 | -2.2 | 111.7 | V988 | R986-V988 PolarHBondContact O-N 3.33Š| ||
| 987 | L | 25.1 | Very low | 29 | Very low | 118 Ų | 118 | 141 Ų | 141 | 62% | 0.618 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 25.2 | 179.3 | -141.4 | 113.8 | 0 | 0 | 0 | 114.4 | ||
| 988 | V | 28 | Very low | 29.2 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 53% | 0.533 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | -6.9 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | R986 | R986-V988 PolarHBondContact O-N 3.33Š|
| 989 | D | 28.5 | Very low | 28.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -97 | 18.4 | 179.2 | -63.9 | -22.5 | 0 | 0 | 0 | 113.9 | F991 | D989-F991 VanDerWaalsContact C-N 3.32Å; D989-F991 PolarHBondContact O-N 3.04Å | ||
| 990 | V | 31.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | trans | -92.5 | 18.2 | -179.1 | -164.7 | 0 | 0 | 0 | 0 | 113.2 | P992 | V990-P992 VanDerWaalsContact O-CD 3.24Å; V990-P992 WeakPolarHBondContact O-CD 3.39Å | ||
| 991 | F | 27.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 142 Ų | 142 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.6 | 84.4 | 151.9 | -73.7 | -75.1 | 0 | 0 | 0 | 108 | D989 E993 | D989-F991 VanDerWaalsContact C-N 3.32Å; D989-F991 PolarHBondContact O-N 3.04Å; F991-E993 PolarHBondContact O-N 2.89Å |
| 992 | P | 28.4 | Very low | 30 | Very low | 75 Ų | 75 | 138 Ų | 138 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | trans | -62.1 | 128.9 | 168.4 | 26.6 | -30.8 | 0 | 0 | 0 | 108.1 | V990 E994 E995 | V990-P992 VanDerWaalsContact O-CD 3.24Å; V990-P992 WeakPolarHBondContact O-CD 3.39Å; P992-E994 PolarHBondContact O-N 2.76Å; P992-E995 PolarHBondContact O-N 3.14Å | ||
| 993 | E | 31.6 | Very low | 30 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -8.6 | -175.9 | -71.4 | -177.4 | 140.6 | 0 | 0 | 114.1 | F991 | F991-E993 PolarHBondContact O-N 2.89Š|
| 994 | E | 31.4 | Very low | 30.1 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -23.8 | -173.6 | -66.6 | -179 | 166.1 | 0 | 0 | 114.7 | P992 E997 | P992-E994 PolarHBondContact O-N 2.76Å; E994-E997 PolarHBondContact O-N 2.7Å |
| 995 | E | 27.8 | Very low | 30 | Very low | 144 Ų | 144 | 141 Ų | 141 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85.7 | -15.7 | -177.6 | -90.8 | -176.1 | 166.9 | 0 | 0 | 114.6 | P992 E997 | P992-E995 PolarHBondContact O-N 3.14Å; E995-E997 VanDerWaalsContact C-N 3.3Å |
| 996 | I | 29.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 55% | 0.554 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.6 | -23.2 | 169.6 | -61.6 | 177.7 | 0 | 0 | 0 | 110.8 | I1000 | I996-I1000 HydrophobicContact CG2-CD1 4.27Å |
| 997 | E | 30.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.8 | -34.4 | 173.4 | -74.4 | -164.4 | 149.2 | 0 | 0 | 112.3 | E994 E995 G1001 | E994-E997 PolarHBondContact O-N 2.7Å; E995-E997 VanDerWaalsContact C-N 3.3Å; E997-G1001 PolarHBondContact O-N 3.1Å |
| 998 | N | 32.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.7 | -36.4 | -176.5 | -72.6 | -20.7 | 0 | 0 | 0 | 113.8 | I1000 G1001 D1002 | N998-I1000 VanDerWaalsContact C-N 3.34Å; N998-I1000 PolarHBondContact O-N 3.24Å; N998-G1001 WeakPolarHBondContact O-CA 3.39Å; N998-G1001 PolarHBondContact O-N 3.46Å; N998-G1001 VanDerWaalsContact O-N 3.09Å; N998-D1002 PolarHBondContact O-N 2.97Å |
| 999 | Q | 28.2 | Very low | 30.9 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.5 | -13.9 | -178.4 | -71.8 | -164 | -7.7 | 0 | 0 | 114.9 | ||
| 1000 | I | 32.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 59% | 0.59 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -89.3 | -16 | 167.4 | -59.1 | 176.9 | 0 | 0 | 0 | 110.6 | I996 N998 | I996-I1000 HydrophobicContact CG2-CD1 4.27Å; N998-I1000 VanDerWaalsContact C-N 3.34Å; N998-I1000 PolarHBondContact O-N 3.24Å |
| 1001 | G | 37 | Very low | 31.1 | Very low | 36 Ų | 36 | 138.5 Ų | 138.5 | 37% | 0.371 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -62.8 | -46.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E997 N998 L1003 R1004 | E997-G1001 PolarHBondContact O-N 3.1Å; N998-G1001 WeakPolarHBondContact O-CA 3.39Å; N998-G1001 PolarHBondContact O-N 3.46Å; N998-G1001 VanDerWaalsContact O-N 3.09Å; G1001-L1003 VanDerWaalsContact C-N 3.34Å; G1001-L1003 PolarHBondContact O-N 3.11Å; G1001-R1004 CarbonylContact O-C 3.47Å; G1001-R1004 PolarHBondContact O-N 3.41Å; G1001-R1004 VanDerWaalsContact O-N 3.11Å |
| 1002 | D | 33.4 | Very low | 31.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -2.9 | -174.7 | -72.9 | -15.5 | 0 | 0 | 0 | 115.1 | N998 | N998-D1002 PolarHBondContact O-N 2.97Š|
| 1003 | L | 32.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 5.6 | 164.4 | -83.4 | 166.4 | 0 | 0 | 0 | 112.5 | G1001 | G1001-L1003 VanDerWaalsContact C-N 3.34Å; G1001-L1003 PolarHBondContact O-N 3.11Å |
| 1004 | R | 32.6 | Very low | 31.6 | Very low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 68% | 0.679 | S | S | * | * | trans | -111.4 | 0 | 161.8 | -86.1 | -174.7 | 171.8 | -173.9 | -2.3 | 109.9 | G1001 | G1001-R1004 CarbonylContact O-C 3.47Å; G1001-R1004 PolarHBondContact O-N 3.41Å; G1001-R1004 VanDerWaalsContact O-N 3.11Å |
Retrieved 1,004 of 1,004 residues in 1165.1 ms
(Link to these results)