| 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 | 27.6 | Very low | 35.9 | Very low | 235 Ų | 235 | 112.4 Ų | 112.4 | 100% | 1.158 | 65% | 0.65 | S | S | * | * | 0 | 154.3 | 0 | -73 | 177.6 | 169.6 | 0 | 0 | 109 | |||||
| 2 | N | 29.7 | Very low | 36.8 | Very low | 144 Ų | 144 | 103 Ų | 103 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | trans | 53.1 | 84.2 | 171.1 | -57.6 | 15.3 | 0 | 0 | 0 | 116 | D4 | N2-D4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 27.7 | Very low | 37.7 | Very low | 75 Ų | 75 | 96.7 Ų | 96.7 | 77% | 0.773 | 56% | 0.561 | S | S | * | * | trans | -73 | 27.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S5 | G3-S5 PolarHBondContact O-N 3.43Å; G3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | D | 31.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 93.2 Ų | 93.2 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 59.6 | -163.1 | -166.3 | 26.6 | 0 | 0 | 0 | 111.9 | N2 | N2-D4 PolarHBondContact O-N 3.28Š|
| 5 | S | 31.6 | Very low | 39.9 | Very low | 81 Ų | 81 | 89.6 Ų | 89.6 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -18.3 | -173.7 | 50.6 | 0 | 0 | 0 | 0 | 116 | G3 V7 | G3-S5 PolarHBondContact O-N 3.43Å; G3-S5 VanDerWaalsContact O-N 3.12Å; S5-V7 PolarHBondContact O-N 3.38Å |
| 6 | S | 34.8 | Very low | 41.2 | Very low | 94 Ų | 94 | 84.7 Ų | 84.7 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -67.5 | -32.9 | -177.8 | 48 | 0 | 0 | 0 | 0 | 114.5 | N8 D9 | S6-N8 PolarHBondContact O-N 3.37Å; S6-D9 PolarHBondContact O-N 2.92Å |
| 7 | V | 39 | Very low | 42.6 | Very low | 93 Ų | 93 | 80.9 Ų | 80.9 | 56% | 0.564 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -69.3 | -16.3 | -173.3 | -171.6 | 0 | 0 | 0 | 0 | 113.2 | S5 | S5-V7 PolarHBondContact O-N 3.38Š|
| 8 | N | 41.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 77.5 Ų | 77.5 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -87.1 | 2.1 | -178.5 | -75.1 | -74.1 | 0 | 0 | 0 | 114.9 | S6 R15 | S6-N8 PolarHBondContact O-N 3.37Å; N8-R15 PolarHBondContact O-NE 3.35Å; N8-R15 PolarHBondContact O-NH2 3.18Å |
| 9 | D | 42.1 | Very low | 45 | Very low | 95 Ų | 95 | 75.2 Ų | 75.2 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | trans | -118.4 | 40.3 | -176.6 | -80.8 | -23.9 | 0 | 0 | 0 | 113.6 | S6 E11 R15 R558 | S6-D9 PolarHBondContact O-N 2.92Å; D9-E11 PolarHBondContact O-N 3.2Å; D9-R15 IonicContact OD1-NH2 2.72Å; D9-R15 PolarHBondContact OD1-NH2 3.03Å; D9-R558 IonicContact OD1-NH2 3.32Å | ||
| 10 | L | 46.1 | Very low | 46 | Very low | 78 Ų | 78 | 75.8 Ų | 75.8 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | trans | -59.8 | 99.2 | 157.3 | -84.6 | 165.8 | 0 | 0 | 0 | 109.8 | G12 M32 L36 | L10-G12 PolarHBondContact O-N 3.1Å; L10-M32 HydrophobicContact CB-CE 3.99Å; L10-M32 HydrophobicContact CD1-CB 4.28Å; L10-M32 HydrophobicContact CD1-CE 4.06Å; L10-L36 HydrophobicContact CD2-CD2 4.35Å | ||
| 11 | E | 42.9 | Very low | 46.8 | Very low | 122 Ų | 122 | 72.6 Ų | 72.6 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 131.5 | -178.1 | -63 | -168.7 | 138.3 | 0 | 0 | 112.5 | D9 R56 | D9-E11 PolarHBondContact O-N 3.2Å; E11-R56 IonicContact OE1-CZ 3.66Å; E11-R56 IonicContact OE1-NH1 3.13Å; E11-R56 PolarHBondContact OE1-NH1 3.36Å |
| 12 | G | 46.8 | Very low | 48.4 | Very low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | -3.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | L10 Y45 E52 | L10-G12 PolarHBondContact O-N 3.1Å; G12-Y45 WeakPolarHBondContact O-CE2 3.28Å; G12-E52 WeakPolarHBondContact CA-OE2 3.47Å; G12-E52 PolarHBondContact N-OE2 3.34Å |
| 13 | C | 48.2 | Very low | 50.2 | Low | 21 Ų | 21 | 55.2 Ų | 55.2 | 14% | 0.142 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -133.4 | 148.4 | -179.3 | -163.6 | 0 | 0 | 0 | 0 | 113.6 | R15 L36 Y45 | C13-R15 PolarHBondContact O-N 2.9Å; C13-L36 HydrophobicContact CB-CD1 4.42Å; C13-Y45 HydrophobicContact CB-CE2 4.4Å |
| 14 | C | 52.3 | Low | 52.1 | Low | 48 Ų | 48 | 55.6 Ų | 55.6 | 32% | 0.324 | 31% | 0.313 | S | S | . | . | trans | -50.1 | 106.2 | 177.5 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | Y16 | C14-Y16 PolarHBondContact O-N 3.44Š| ||
| 15 | R | 56.9 | Low | 53.7 | Low | 39 Ų | 39 | 53.2 Ų | 53.2 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | trans | -39 | 109.9 | 175 | -87.6 | -167.8 | 177.8 | 172.3 | 4.5 | 110.5 | N8 D9 C13 S17 D561 | N8-R15 PolarHBondContact O-NE 3.35Å; N8-R15 PolarHBondContact O-NH2 3.18Å; D9-R15 IonicContact OD1-NH2 2.72Å; D9-R15 PolarHBondContact OD1-NH2 3.03Å; C13-R15 PolarHBondContact O-N 2.9Å; R15-S17 PolarHBondContact O-N 3.06Å; R15-D561 IonicContact CZ-OD2 2.9Å; R15-D561 IonicContact NH1-OD2 3.72Å; R15-D561 PolarHBondContact NH1-OD2 3.36Å; R15-D561 IonicContact NH2-OD2 2.86Å | ||
| 16 | Y | 59.8 | Low | 55.2 | Low | 11 Ų | 11 | 51.2 Ų | 51.2 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | trans | -76.4 | 116.6 | -170 | -177.7 | -84.2 | 0 | 0 | 0 | 110.1 | C14 T18 M23 I31 M32 I35 G303 R305 | C14-Y16 PolarHBondContact O-N 3.44Å; Y16-T18 HydrophobicContact CD1-CG2 3.97Å; Y16-T18 HydrophobicContact CE1-CG2 3.74Å; Y16-T18 PolarHBondContact O-N 2.73Å; Y16-M23 HydrophobicContact CE1-CE 4.11Å; Y16-M23 WeakPolarHBondContact OH-CE 3.44Å; Y16-I31 HydrophobicContact CD1-CB 4.05Å; Y16-I31 HydrophobicContact CD1-CG2 3.67Å; Y16-I31 HydrophobicContact CD2-CG2 3.76Å; Y16-I31 HydrophobicContact CE1-CB 4.14Å; Y16-I31 HydrophobicContact CE1-CD1 4.03Å; Y16-I31 HydrophobicContact CE1-CG2 3.51Å; Y16-I31 HydrophobicContact CE2-CG2 3.52Å; Y16-I31 HydrophobicContact CG-CB 4.42Å; Y16-I31 HydrophobicContact CG-CG2 3.81Å; Y16-I31 VanDerWaalsContact CZ-CG2 3.4Å; Y16-M32 VanDerWaalsContact CB-CG 3.42Å; Y16-I35 HydrophobicContact CD2-CD1 3.2Å; Y16-I35 HydrophobicContact CE2-CD1 3.51Å; Y16-I35 HydrophobicContact CG-CD1 4.13Å; Y16-G303 WeakPolarHBondContact OH-CA 3.15Å; Y16-G303 PolarHBondContact OH-O 3.03Å; Y16-R305 VanDerWaalsContact CE2-CZ 3.48Å; Y16-R305 WeakPolarHBondContact OH-CD 3.06Å; Y16-R305 WeakPolarHBondContact OH-CG 3.47Å; Y16-R305 PolarHBondContact OH-NE 3.22Å; Y16-R305 VanDerWaalsContact OH-NE 3.09Å | ||
| 17 | S | 66.1 | Low | 57 | Low | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | trans | -94.8 | 101.2 | -172.5 | -153.3 | 0 | 0 | 0 | 0 | 111.8 | R15 S19 R547 | R15-S17 PolarHBondContact O-N 3.06Å; S17-S19 PolarHBondContact O-N 3.36Å; S17-S19 PolarHBondContact OG-OG 3.02Å; S17-R547 VanDerWaalsContact CB-NH2 3.33Å; S17-R547 PolarHBondContact OG-NH2 3.08Å | ||
| 18 | T | 63.7 | Low | 58.3 | Low | 20 Ų | 20 | 50.2 Ų | 50.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -73 | 14.3 | 166.1 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | Y16 K20 M23 L26 K28 I31 | Y16-T18 HydrophobicContact CD1-CG2 3.97Å; Y16-T18 HydrophobicContact CE1-CG2 3.74Å; Y16-T18 PolarHBondContact O-N 2.73Å; T18-K20 PolarHBondContact O-N 2.99Å; T18-M23 WeakPolarHBondContact O-CB 3.41Å; T18-L26 HydrophobicContact CG2-CB 4.06Å; T18-K28 HydrophobicContact CG2-CG 4.06Å; T18-K28 VanDerWaalsContact OG1-CE 3.3Å; T18-K28 WeakPolarHBondContact OG1-CE 3.44Å; T18-I31 HydrophobicContact CG2-CD1 4.17Å | ||
| 19 | S | 65.8 | Low | 59.6 | Low | 34 Ų | 34 | 47 Ų | 47 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | trans | -72.9 | -7.7 | -174.7 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | S17 K548 | S17-S19 PolarHBondContact O-N 3.36Å; S17-S19 PolarHBondContact OG-OG 3.02Å; S19-K548 PolarHBondContact O-NZ 3.14Å | ||
| 20 | K | 65.3 | Low | 60.7 | Low | 87 Ų | 87 | 44 Ų | 44 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77 | 149.6 | 176.3 | -63.6 | -173 | 174.5 | -170.4 | 0 | 111.2 | T18 M23 R305 A306 | T18-K20 PolarHBondContact O-N 2.99Å; K20-M23 HydrophobicContact CB-CG 4.33Å; K20-M23 HydrophobicContact CB-SD 3.87Å; K20-M23 VanDerWaalsContact O-CB 3.3Å; K20-M23 WeakPolarHBondContact O-CB 3.43Å; K20-M23 PolarHBondContact O-N 3.4Å; K20-R305 HydrophobicContact CD-CB 4.4Å; K20-A306 PolarHBondContact NZ-O 2.96Å; K20-A306 VanDerWaalsContact NZ-O 3.12Å |
| 21 | A | 64.3 | Low | 61.4 | Low | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 137.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R300 K523 | A21-R300 WeakPolarHBondContact O-CD 3.38Å; A21-R300 PolarHBondContact O-NH1 3.04Å; A21-K523 HydrophobicContact CB-CB 3.41Å; A21-K523 VanDerWaalsContact CB-CB 3.41Å; A21-K523 HydrophobicContact CB-CD 4.15Å; A21-K523 HydrophobicContact CB-CG 4.43Å |
| 22 | G | 59.8 | Low | 62.6 | Low | 12 Ų | 12 | 35.9 Ų | 35.9 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 19 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E24 R300 | G22-E24 WeakPolarHBondContact CA-OE2 3.33Å; G22-E24 PolarHBondContact N-OE2 3.42Å; G22-R300 CarbonylContact O-C 3.55Å; G22-R300 VanDerWaalsContact O-CB 3.26Å; G22-R300 WeakPolarHBondContact O-CB 3.14Å |
| 23 | M | 68.5 | Low | 63.7 | Low | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -134.7 | 9.1 | -179.2 | -49.1 | -168.1 | 71.4 | 0 | 0 | 112.2 | Y16 T18 K20 L26 R300 R305 | Y16-M23 HydrophobicContact CE1-CE 4.11Å; Y16-M23 WeakPolarHBondContact OH-CE 3.44Å; T18-M23 WeakPolarHBondContact O-CB 3.41Å; K20-M23 HydrophobicContact CB-CG 4.33Å; K20-M23 HydrophobicContact CB-SD 3.87Å; K20-M23 VanDerWaalsContact O-CB 3.3Å; K20-M23 WeakPolarHBondContact O-CB 3.43Å; K20-M23 PolarHBondContact O-N 3.4Å; M23-L26 HydrophobicContact CB-CD1 3.86Å; M23-L26 HydrophobicContact CB-CG 4.49Å; M23-L26 HydrophobicContact CE-CD1 4Å; M23-L26 HydrophobicContact CG-CD1 4.39Å; M23-L26 WeakPolarHBondContact O-CG 3.25Å; M23-R300 HydrophobicContact CG-CB 4.08Å; M23-R305 HydrophobicContact CE-CB 4.32Å; M23-R305 HydrophobicContact SD-CB 4.05Å | ||
| 24 | E | 66.6 | Low | 64.5 | Low | 84 Ų | 84 | 36.8 Ų | 36.8 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 144.6 | 167.1 | -62.9 | 90.5 | 153.6 | 0 | 0 | 111 | G22 L26 K458 | G22-E24 WeakPolarHBondContact CA-OE2 3.33Å; G22-E24 PolarHBondContact N-OE2 3.42Å; E24-L26 PolarHBondContact O-N 3.35Å; E24-K458 WeakPolarHBondContact OE1-CE 3.26Å; E24-K458 IonicContact OE1-NZ 3.86Å; E24-K458 PolarHBondContact OE1-NZ 2.86Å |
| 25 | G | 64.9 | Low | 65.2 | Low | 88 Ų | 88 | 35.4 Ų | 35.4 | 91% | 0.907 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | -2.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 26 | L | 63.6 | Low | 65.8 | Low | 38 Ų | 38 | 34.6 Ų | 34.6 | 20% | 0.199 | 20% | 0.203 | C | C | . | . | trans | -75.1 | 129.6 | 174.8 | -58.1 | -171.9 | 0 | 0 | 0 | 111.1 | T18 M23 E24 K28 I31 R300 R301 | T18-L26 HydrophobicContact CG2-CB 4.06Å; M23-L26 HydrophobicContact CB-CD1 3.86Å; M23-L26 HydrophobicContact CB-CG 4.49Å; M23-L26 HydrophobicContact CE-CD1 4Å; M23-L26 HydrophobicContact CG-CD1 4.39Å; M23-L26 WeakPolarHBondContact O-CG 3.25Å; E24-L26 PolarHBondContact O-N 3.35Å; L26-K28 PolarHBondContact O-N 3.23Å; L26-I31 HydrophobicContact CB-CD1 4.03Å; L26-I31 HydrophobicContact CD1-CD1 3.94Å; L26-R300 WeakPolarHBondContact CD1-O 3.31Å; L26-R301 WeakPolarHBondContact CD2-O 3.4Å | ||
| 27 | D | 71.9 | Confident | 66.5 | Low | 57 Ų | 57 | 34.7 Ų | 34.7 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | trans | -62.1 | 133.8 | 166.7 | -158.9 | -27.4 | 0 | 0 | 0 | 109.4 | A29 T30 I31 | D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.43Å; D27-T30 WeakPolarHBondContact CB-OG1 3.45Å; D27-I31 WeakPolarHBondContact O-CD1 3.47Å | ||
| 28 | K | 67.9 | Low | 66.6 | Low | 109 Ų | 109 | 35 Ų | 35 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -88.9 | -25.2 | -179.9 | -63.4 | 171.9 | -169.1 | 159.7 | 0 | 110.8 | T18 L26 M32 | T18-K28 HydrophobicContact CG2-CG 4.06Å; T18-K28 VanDerWaalsContact OG1-CE 3.3Å; T18-K28 WeakPolarHBondContact OG1-CE 3.44Å; L26-K28 PolarHBondContact O-N 3.23Å; K28-M32 VanDerWaalsContact O-CB 3.26Å; K28-M32 WeakPolarHBondContact O-CB 3.34Å; K28-M32 WeakPolarHBondContact O-CG 3.24Å; K28-M32 PolarHBondContact O-N 3.43Å |
| 29 | A | 67.5 | Low | 67 | Low | 14 Ų | 14 | 34.6 Ų | 34.6 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -63.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | D27 I31 M32 E33 Y906 D909 | D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.43Å; A29-I31 PolarHBondContact O-N 3.1Å; A29-M32 PolarHBondContact O-N 3.04Å; A29-E33 WeakPolarHBondContact O-CB 3.35Å; A29-E33 PolarHBondContact O-N 3.02Å; A29-Y906 HydrophobicContact CB-CD2 4.2Å; A29-Y906 HydrophobicContact CB-CE2 4.24Å; A29-D909 WeakPolarHBondContact CB-OD2 3Å |
| 30 | T | 66.3 | Low | 67.4 | Low | 32 Ų | 32 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -35.8 | -55.2 | 174.9 | -35.9 | 0 | 0 | 0 | 0 | 112.9 | D27 E33 I34 D909 | D27-T30 WeakPolarHBondContact CB-OG1 3.45Å; T30-E33 PolarHBondContact O-N 3.5Å; T30-I34 HydrophobicContact CG2-CD1 3.67Å; T30-I34 WeakPolarHBondContact O-CB 3.32Å; T30-I34 WeakPolarHBondContact O-CD1 3.46Å; T30-I34 WeakPolarHBondContact O-CG1 3.38Å; T30-I34 PolarHBondContact O-N 2.8Å; T30-D909 WeakPolarHBondContact CA-OD1 3.39Å; T30-D909 WeakPolarHBondContact CA-OD2 3.32Å; T30-D909 VanDerWaalsContact CB-CG 3.48Å; T30-D909 WeakPolarHBondContact CB-OD1 3.46Å; T30-D909 WeakPolarHBondContact CG2-OD1 3.29Å; T30-D909 PolarHBondContact N-OD2 2.57Å; T30-D909 PolarHBondContact OG1-OD1 3.14Å; T30-D909 PolarHBondContact OG1-OD2 2.87Å |
| 31 | I | 60 | Low | 67.9 | Low | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.8 | -36.5 | -167.5 | -52.1 | 166.9 | 0 | 0 | 0 | 110.3 | Y16 T18 L26 D27 A29 E33 I35 L316 | Y16-I31 HydrophobicContact CD1-CB 4.05Å; Y16-I31 HydrophobicContact CD1-CG2 3.67Å; Y16-I31 HydrophobicContact CD2-CG2 3.76Å; Y16-I31 HydrophobicContact CE1-CB 4.14Å; Y16-I31 HydrophobicContact CE1-CD1 4.03Å; Y16-I31 HydrophobicContact CE1-CG2 3.51Å; Y16-I31 HydrophobicContact CE2-CG2 3.52Å; Y16-I31 HydrophobicContact CG-CB 4.42Å; Y16-I31 HydrophobicContact CG-CG2 3.81Å; Y16-I31 VanDerWaalsContact CZ-CG2 3.4Å; T18-I31 HydrophobicContact CG2-CD1 4.17Å; L26-I31 HydrophobicContact CB-CD1 4.03Å; L26-I31 HydrophobicContact CD1-CD1 3.94Å; D27-I31 WeakPolarHBondContact O-CD1 3.47Å; A29-I31 PolarHBondContact O-N 3.1Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.49Å; I31-I35 WeakPolarHBondContact O-CB 3.39Å; I31-I35 WeakPolarHBondContact O-CD1 3.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.37Å; I31-L316 HydrophobicContact CG2-CD1 4.04Å; I31-L316 HydrophobicContact CG2-CD2 4.19Å |
| 32 | M | 68.1 | Low | 68.5 | Low | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | 171 | -74.9 | -170.3 | 52.7 | 0 | 0 | 111.9 | L10 Y16 K28 A29 L36 | L10-M32 HydrophobicContact CB-CE 3.99Å; L10-M32 HydrophobicContact CD1-CB 4.28Å; L10-M32 HydrophobicContact CD1-CE 4.06Å; Y16-M32 VanDerWaalsContact CB-CG 3.42Å; K28-M32 VanDerWaalsContact O-CB 3.26Å; K28-M32 WeakPolarHBondContact O-CB 3.34Å; K28-M32 WeakPolarHBondContact O-CG 3.24Å; K28-M32 PolarHBondContact O-N 3.43Å; A29-M32 PolarHBondContact O-N 3.04Å; M32-L36 WeakPolarHBondContact O-CB 3.27Å; M32-L36 PolarHBondContact O-N 2.74Å |
| 33 | E | 70.5 | Confident | 69.2 | Low | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -53.7 | -176.4 | -179.1 | 134.5 | -134 | 0 | 0 | 111.8 | A29 T30 I31 I35 L36 E37 D909 E910 N913 | A29-E33 WeakPolarHBondContact O-CB 3.35Å; A29-E33 PolarHBondContact O-N 3.02Å; T30-E33 PolarHBondContact O-N 3.5Å; I31-E33 VanDerWaalsContact C-N 3.3Å; E33-I35 PolarHBondContact O-N 3Å; E33-L36 WeakPolarHBondContact O-CB 3.36Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.07Å; E33-E37 PolarHBondContact O-N 3.42Å; E33-D909 WeakPolarHBondContact CG-O 3.3Å; E33-D909 VanDerWaalsContact OE2-C 3.28Å; E33-D909 WeakPolarHBondContact OE2-CB 3.26Å; E33-E910 PolarHBondContact OE2-N 3.49Å; E33-N913 HydrophobicContact CG-CB 3.42Å; E33-N913 VanDerWaalsContact CG-CB 3.42Å; E33-N913 WeakPolarHBondContact OE1-CB 3.46Å; E33-N913 VanDerWaalsContact OE1-CG 3.32Å; E33-N913 PolarHBondContact OE1-ND2 2.98Å |
| 34 | I | 65 | Low | 69.2 | Low | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 173.3 | -63 | 162.6 | 0 | 0 | 0 | 111 | T30 N38 L312 L316 L912 | T30-I34 HydrophobicContact CG2-CD1 3.67Å; T30-I34 WeakPolarHBondContact O-CB 3.32Å; T30-I34 WeakPolarHBondContact O-CD1 3.46Å; T30-I34 WeakPolarHBondContact O-CG1 3.38Å; T30-I34 PolarHBondContact O-N 2.8Å; I34-N38 VanDerWaalsContact O-CB 3.31Å; I34-N38 WeakPolarHBondContact O-CB 3.25Å; I34-N38 PolarHBondContact O-N 3.03Å; I34-N38 PolarHBondContact O-ND2 2.64Å; I34-L312 HydrophobicContact CG2-CD1 4.34Å; I34-L316 HydrophobicContact CB-CD2 3.95Å; I34-L316 HydrophobicContact CD1-CD2 3.74Å; I34-L316 HydrophobicContact CG1-CD2 4.48Å; I34-L316 HydrophobicContact CG2-CD2 3.8Å; I34-L316 HydrophobicContact CG2-CG 4.45Å; I34-L912 HydrophobicContact CD1-CD1 3.69Å; I34-L912 HydrophobicContact CG1-CB 4.02Å; I34-L912 HydrophobicContact CG1-CD1 4.06Å |
| 35 | I | 66.1 | Low | 69.6 | Low | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.2 | -38.3 | 175.3 | -69.7 | 173.2 | 0 | 0 | 0 | 111.6 | Y16 I31 E33 N38 S39 L308 L312 | Y16-I35 HydrophobicContact CD2-CD1 3.2Å; Y16-I35 HydrophobicContact CE2-CD1 3.51Å; Y16-I35 HydrophobicContact CG-CD1 4.13Å; I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.49Å; I31-I35 WeakPolarHBondContact O-CB 3.39Å; I31-I35 WeakPolarHBondContact O-CD1 3.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.37Å; E33-I35 PolarHBondContact O-N 3Å; I35-N38 PolarHBondContact O-N 3.09Å; I35-S39 VanDerWaalsContact O-CB 3.29Å; I35-S39 WeakPolarHBondContact O-CB 3.29Å; I35-S39 PolarHBondContact O-N 3.1Å; I35-S39 PolarHBondContact O-OG 3.16Å; I35-L308 HydrophobicContact CD1-CD1 4.04Å; I35-L312 HydrophobicContact CB-CD2 4.4Å; I35-L312 HydrophobicContact CG1-CD1 4.39Å; I35-L312 HydrophobicContact CG1-CD2 3.9Å; I35-L312 HydrophobicContact CG1-CG 4.2Å; I35-L312 HydrophobicContact CG2-CD2 4.29Å |
| 36 | L | 70.8 | Confident | 70.4 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -53.8 | 175.5 | 176.3 | 59.1 | 0 | 0 | 0 | 109.3 | L10 C13 M32 E33 N38 S39 K40 Y45 | L10-L36 HydrophobicContact CD2-CD2 4.35Å; C13-L36 HydrophobicContact CB-CD1 4.42Å; M32-L36 WeakPolarHBondContact O-CB 3.27Å; M32-L36 PolarHBondContact O-N 2.74Å; E33-L36 WeakPolarHBondContact O-CB 3.36Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.07Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.92Å; L36-S39 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-OG 2.65Å; L36-K40 VanDerWaalsContact O-CB 3.25Å; L36-K40 WeakPolarHBondContact O-CB 3.49Å; L36-K40 PolarHBondContact O-N 3.48Å; L36-Y45 HydrophobicContact CD1-CD2 4.43Å; L36-Y45 HydrophobicContact CD1-CE2 3.46Å; L36-Y45 VanDerWaalsContact CD1-CE2 3.46Å |
| 37 | E | 74.7 | Confident | 71.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -44.7 | -61.1 | 172.8 | -155.5 | -144.8 | -167.4 | 0 | 0 | 109.6 | E33 S39 K40 L912 N913 I917 | E33-E37 PolarHBondContact O-N 3.42Å; E37-S39 PolarHBondContact O-N 2.98Å; E37-S39 VanDerWaalsContact O-N 3.13Å; E37-K40 PolarHBondContact O-N 3.34Å; E37-L912 VanDerWaalsContact OE1-O 3.06Å; E37-N913 VanDerWaalsContact CB-OD1 3.29Å; E37-N913 WeakPolarHBondContact CB-OD1 3.47Å; E37-I917 HydrophobicContact CB-CD1 4.02Å; E37-I917 VanDerWaalsContact CD-CG1 3.41Å; E37-I917 HydrophobicContact CG-CB 4.12Å; E37-I917 HydrophobicContact CG-CD1 3.48Å; E37-I917 VanDerWaalsContact CG-CD1 3.48Å; E37-I917 HydrophobicContact CG-CG1 3.94Å; E37-I917 WeakPolarHBondContact O-CD1 3.03Å; E37-I917 VanDerWaalsContact OE1-CB 3.28Å; E37-I917 WeakPolarHBondContact OE1-CB 3.47Å; E37-I917 WeakPolarHBondContact OE1-CG1 3.43Å; E37-I917 PolarHBondContact OE1-N 2.89Å; E37-I917 WeakPolarHBondContact OE2-CG1 3.44Å |
| 38 | N | 68.4 | Low | 71.3 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 11.4 | -169.7 | -68.7 | -81.8 | 0 | 0 | 0 | 115.3 | I34 I35 L36 L312 K315 I917 | I34-N38 VanDerWaalsContact O-CB 3.31Å; I34-N38 WeakPolarHBondContact O-CB 3.25Å; I34-N38 PolarHBondContact O-N 3.03Å; I34-N38 PolarHBondContact O-ND2 2.64Å; I35-N38 PolarHBondContact O-N 3.09Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.92Å; N38-L312 HydrophobicContact CB-CD1 3.58Å; N38-K315 VanDerWaalsContact CG-CD 3.47Å; N38-K315 WeakPolarHBondContact OD1-CD 3.35Å; N38-K315 VanDerWaalsContact OD1-CE 3.25Å; N38-K315 WeakPolarHBondContact OD1-CE 3.3Å; N38-K315 PolarHBondContact OD1-NZ 3.47Å; N38-I917 HydrophobicContact CB-CD1 4.16Å; N38-I917 VanDerWaalsContact OD1-CD1 3.24Å; N38-I917 WeakPolarHBondContact OD1-CD1 3.31Å; N38-I917 WeakPolarHBondContact OD1-CG1 3.39Å |
| 39 | S | 70.8 | Confident | 71.9 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -23.6 | 166.6 | 62.5 | 0 | 0 | 0 | 0 | 113 | I35 L36 E37 G41 S42 Y45 | I35-S39 VanDerWaalsContact O-CB 3.29Å; I35-S39 WeakPolarHBondContact O-CB 3.29Å; I35-S39 PolarHBondContact O-N 3.1Å; I35-S39 PolarHBondContact O-OG 3.16Å; L36-S39 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-OG 2.65Å; E37-S39 PolarHBondContact O-N 2.98Å; E37-S39 VanDerWaalsContact O-N 3.13Å; S39-G41 PolarHBondContact O-N 3.35Å; S39-S42 WeakPolarHBondContact O-CB 3.38Å; S39-S42 PolarHBondContact O-N 3.03Å; S39-S42 PolarHBondContact O-OG 3Å; S39-Y45 WeakPolarHBondContact O-CB 3.36Å |
| 40 | K | 74.8 | Confident | 72.6 | Confident | 140 Ų | 140 | 44.9 Ų | 44.9 | 61% | 0.609 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.5 | -179.9 | -168.4 | 171.8 | -176.3 | 176.4 | 0 | 111.7 | L36 E37 S42 Y45 | L36-K40 VanDerWaalsContact O-CB 3.25Å; L36-K40 WeakPolarHBondContact O-CB 3.49Å; L36-K40 PolarHBondContact O-N 3.48Å; E37-K40 PolarHBondContact O-N 3.34Å; K40-S42 PolarHBondContact O-N 3.24Å; K40-Y45 HydrophobicContact CB-CE1 4.46Å; K40-Y45 HydrophobicContact CG-CE1 4.17Å |
| 41 | G | 75 | Confident | 73.2 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -4.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S39 | S39-G41 PolarHBondContact O-N 3.35Š|
| 42 | S | 76.7 | Confident | 74.1 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -78.9 | 148.4 | 171.8 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | S39 K40 F44 Y45 E46 | S39-S42 WeakPolarHBondContact O-CB 3.38Å; S39-S42 PolarHBondContact O-N 3.03Å; S39-S42 PolarHBondContact O-OG 3Å; K40-S42 PolarHBondContact O-N 3.24Å; S42-F44 PolarHBondContact O-N 3.3Å; S42-Y45 PolarHBondContact O-N 3.04Å; S42-Y45 PolarHBondContact OG-N 2.85Å; S42-E46 PolarHBondContact O-N 3.46Å |
| 43 | K | 75.7 | Confident | 75 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -23.5 | 171.9 | -54.1 | -177.5 | -167.2 | 177.1 | 0 | 113.5 | N47 D651 D690 F692 | K43-N47 PolarHBondContact O-N 3.2Å; K43-D651 IonicContact NZ-OD2 2.65Å; K43-D651 PolarHBondContact NZ-OD2 3.38Å; K43-D690 HydrophobicContact CD-CB 4.4Å; K43-D690 VanDerWaalsContact CD-O 3.28Å; K43-D690 WeakPolarHBondContact CD-O 3.44Å; K43-D690 IonicContact NZ-OD2 2.73Å; K43-D690 PolarHBondContact NZ-OD2 2.9Å; K43-F692 HydrophobicContact CB-CD2 3.94Å; K43-F692 HydrophobicContact CB-CE2 3.97Å |
| 44 | F | 68.1 | Low | 75.6 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -48.7 | 174.9 | 174.6 | -107.8 | 0 | 0 | 0 | 111.9 | S42 E46 N47 E48 F692 | S42-F44 PolarHBondContact O-N 3.3Å; F44-E46 PolarHBondContact O-N 2.87Å; F44-N47 WeakPolarHBondContact O-CA 3.36Å; F44-N47 WeakPolarHBondContact O-CB 3.43Å; F44-N47 PolarHBondContact O-N 3.04Å; F44-E48 HydrophobicContact CD2-CG 4.43Å; F44-E48 HydrophobicContact CE1-CG 4Å; F44-E48 HydrophobicContact CE2-CG 3.87Å; F44-E48 HydrophobicContact CZ-CG 3.63Å; F44-E48 PolarHBondContact O-N 2.87Å; F44-F692 HydrophobicContact CB-CD1 4.41Å; F44-F692 HydrophobicContact CB-CD2 4.46Å; F44-F692 HydrophobicContact CB-CE1 3.99Å; F44-F692 HydrophobicContact CB-CE2 4.04Å; F44-F692 HydrophobicContact CB-CZ 3.8Å; F44-F692 AromaticContact CD2-CD1 3.75Å; F44-F692 HydrophobicContact CD2-CD1 3.75Å; F44-F692 AromaticContact CD2-CE1 3.62Å; F44-F692 HydrophobicContact CD2-CE1 3.62Å; F44-F692 HydrophobicContact CD2-CZ 4.3Å; F44-F692 HydrophobicContact CG-CE1 4.23Å; F44-F692 HydrophobicContact CG-CZ 4.49Å |
| 45 | Y | 75.2 | Confident | 76.3 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 12% | 0.122 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178 | 175.6 | -100.8 | 0 | 0 | 0 | 111.9 | G12 C13 L36 S39 K40 S42 N47 E48 L49 | G12-Y45 WeakPolarHBondContact O-CE2 3.28Å; C13-Y45 HydrophobicContact CB-CE2 4.4Å; L36-Y45 HydrophobicContact CD1-CD2 4.43Å; L36-Y45 HydrophobicContact CD1-CE2 3.46Å; L36-Y45 VanDerWaalsContact CD1-CE2 3.46Å; S39-Y45 WeakPolarHBondContact O-CB 3.36Å; K40-Y45 HydrophobicContact CB-CE1 4.46Å; K40-Y45 HydrophobicContact CG-CE1 4.17Å; S42-Y45 PolarHBondContact O-N 3.04Å; S42-Y45 PolarHBondContact OG-N 2.85Å; Y45-N47 PolarHBondContact O-N 3.32Å; Y45-E48 PolarHBondContact O-N 3.49Å; Y45-L49 HydrophobicContact CD1-CD1 3.72Å; Y45-L49 HydrophobicContact CD1-CG 4.39Å; Y45-L49 HydrophobicContact CE1-CD1 3.31Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 WeakPolarHBondContact O-CB 3.3Å; Y45-L49 PolarHBondContact O-N 3.47Å |
| 46 | E | 81.1 | Confident | 77.3 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -27.8 | 171.5 | -65.3 | 178.2 | 155.4 | 0 | 0 | 113.5 | S42 F44 R50 | S42-E46 PolarHBondContact O-N 3.46Å; F44-E46 PolarHBondContact O-N 2.87Å; E46-R50 WeakPolarHBondContact O-CG 3.35Å; E46-R50 PolarHBondContact O-N 3.39Å; E46-R50 PolarHBondContact O-NE 3.37Å |
| 47 | N | 78.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.7 | -40.7 | 175.6 | 174.7 | 83.8 | 0 | 0 | 0 | 112 | K43 F44 Y45 R50 R51 F692 | K43-N47 PolarHBondContact O-N 3.2Å; F44-N47 WeakPolarHBondContact O-CA 3.36Å; F44-N47 WeakPolarHBondContact O-CB 3.43Å; F44-N47 PolarHBondContact O-N 3.04Å; Y45-N47 PolarHBondContact O-N 3.32Å; N47-R50 PolarHBondContact O-N 2.74Å; N47-R51 WeakPolarHBondContact ND2-CD 3.06Å; N47-R51 PolarHBondContact ND2-NE 3.5Å; N47-R51 VanDerWaalsContact ND2-NE 3.16Å; N47-R51 WeakPolarHBondContact O-CD 3.04Å; N47-R51 VanDerWaalsContact O-CG 3.31Å; N47-R51 WeakPolarHBondContact O-CG 3.2Å; N47-R51 PolarHBondContact O-N 3.2Å; N47-F692 HydrophobicContact CB-CB 3.7Å |
| 48 | E | 75.6 | Confident | 78.5 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 174.3 | -60.1 | -46.6 | 113.9 | 0 | 0 | 111.7 | F44 Y45 R50 R51 E52 | F44-E48 HydrophobicContact CD2-CG 4.43Å; F44-E48 HydrophobicContact CE1-CG 4Å; F44-E48 HydrophobicContact CE2-CG 3.87Å; F44-E48 HydrophobicContact CZ-CG 3.63Å; F44-E48 PolarHBondContact O-N 2.87Å; Y45-E48 PolarHBondContact O-N 3.49Å; E48-R50 PolarHBondContact O-N 3.15Å; E48-R51 WeakPolarHBondContact O-CB 3.4Å; E48-R51 PolarHBondContact O-N 3.29Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-R51 WeakPolarHBondContact OE1-CD 3.47Å; E48-R51 IonicContact OE1-CZ 3.64Å; E48-R51 IonicContact OE1-NE 3.92Å; E48-R51 IonicContact OE1-NH1 2.77Å; E48-R51 PolarHBondContact OE1-NH1 2.9Å; E48-R51 IonicContact OE2-NH1 2.74Å; E48-R51 PolarHBondContact OE2-NH1 3.06Å; E48-E52 WeakPolarHBondContact O-CB 3.26Å; E48-E52 PolarHBondContact O-N 3.5Å |
| 49 | L | 81.5 | Confident | 79.3 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 168.4 | -85.8 | 171.6 | 0 | 0 | 0 | 112.7 | Y45 R51 E52 K53 | Y45-L49 HydrophobicContact CD1-CD1 3.72Å; Y45-L49 HydrophobicContact CD1-CG 4.39Å; Y45-L49 HydrophobicContact CE1-CD1 3.31Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 WeakPolarHBondContact O-CB 3.3Å; Y45-L49 PolarHBondContact O-N 3.47Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.04Å; L49-E52 PolarHBondContact O-N 2.92Å; L49-K53 WeakPolarHBondContact O-CB 3.41Å; L49-K53 PolarHBondContact O-N 3.48Å |
| 50 | R | 82.4 | Confident | 80.2 | Confident | 112 Ų | 112 | 75.1 Ų | 75.1 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.6 | -83.4 | 177.4 | -74.3 | 149.3 | -3.5 | 111.9 | E46 N47 E48 A54 T691 | E46-R50 WeakPolarHBondContact O-CG 3.35Å; E46-R50 PolarHBondContact O-N 3.39Å; E46-R50 PolarHBondContact O-NE 3.37Å; N47-R50 PolarHBondContact O-N 2.74Å; E48-R50 PolarHBondContact O-N 3.15Å; R50-A54 PolarHBondContact O-N 2.81Å; R50-A54 VanDerWaalsContact O-N 3.11Å; R50-T691 PolarHBondContact NH2-O 3.13Å |
| 51 | R | 78.7 | Confident | 80.9 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 176.8 | -72.2 | 163.6 | 164.3 | -160.4 | -11.9 | 112.3 | N47 E48 L49 A54 L55 | N47-R51 WeakPolarHBondContact ND2-CD 3.06Å; N47-R51 PolarHBondContact ND2-NE 3.5Å; N47-R51 VanDerWaalsContact ND2-NE 3.16Å; N47-R51 WeakPolarHBondContact O-CD 3.04Å; N47-R51 VanDerWaalsContact O-CG 3.31Å; N47-R51 WeakPolarHBondContact O-CG 3.2Å; N47-R51 PolarHBondContact O-N 3.2Å; E48-R51 WeakPolarHBondContact O-CB 3.4Å; E48-R51 PolarHBondContact O-N 3.29Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-R51 WeakPolarHBondContact OE1-CD 3.47Å; E48-R51 IonicContact OE1-CZ 3.64Å; E48-R51 IonicContact OE1-NE 3.92Å; E48-R51 IonicContact OE1-NH1 2.77Å; E48-R51 PolarHBondContact OE1-NH1 2.9Å; E48-R51 IonicContact OE2-NH1 2.74Å; E48-R51 PolarHBondContact OE2-NH1 3.06Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.04Å; R51-A54 PolarHBondContact O-N 3.33Å; R51-L55 WeakPolarHBondContact O-CB 3.14Å; R51-L55 PolarHBondContact O-N 3.2Å |
| 52 | E | 79.7 | Confident | 81.5 | Confident | 29 Ų | 29 | 77 Ų | 77 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.5 | 177.4 | 153.5 | -164.5 | 0 | 0 | 111.5 | G12 E48 L49 A54 L55 R56 R558 | G12-E52 WeakPolarHBondContact CA-OE2 3.47Å; G12-E52 PolarHBondContact N-OE2 3.34Å; E48-E52 WeakPolarHBondContact O-CB 3.26Å; E48-E52 PolarHBondContact O-N 3.5Å; L49-E52 PolarHBondContact O-N 2.92Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.9Å; E52-L55 PolarHBondContact O-N 3.3Å; E52-R56 VanDerWaalsContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CB 3.36Å; E52-R56 PolarHBondContact O-N 3.17Å; E52-R558 VanDerWaalsContact CD-NH1 3.28Å; E52-R558 IonicContact OE1-CZ 2.91Å; E52-R558 IonicContact OE1-NH1 3.31Å; E52-R558 PolarHBondContact OE1-NH1 3.37Å; E52-R558 IonicContact OE1-NH2 3.77Å; E52-R558 PolarHBondContact OE1-NH2 2.94Å; E52-R558 IonicContact OE2-NH1 3.72Å |
| 53 | K | 86 | Confident | 82 | Confident | 139 Ų | 139 | 78.3 Ų | 78.3 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.2 | -44.8 | 173.3 | -173.3 | 173.8 | -178.5 | 176 | 0 | 111.7 | L49 R56 Q57 | L49-K53 WeakPolarHBondContact O-CB 3.41Å; L49-K53 PolarHBondContact O-N 3.48Å; K53-R56 PolarHBondContact O-N 2.87Å; K53-Q57 WeakPolarHBondContact O-CB 3.43Å; K53-Q57 VanDerWaalsContact O-CG 3.28Å; K53-Q57 WeakPolarHBondContact O-CG 3.04Å; K53-Q57 PolarHBondContact O-N 2.89Å |
| 54 | A | 83.3 | Confident | 82.7 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R50 R51 E52 Q57 Q58 | R50-A54 PolarHBondContact O-N 2.81Å; R50-A54 VanDerWaalsContact O-N 3.11Å; R51-A54 PolarHBondContact O-N 3.33Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.9Å; A54-Q57 PolarHBondContact O-N 3.38Å; A54-Q58 WeakPolarHBondContact O-CG 3.3Å; A54-Q58 PolarHBondContact O-N 2.84Å |
| 55 | L | 80.2 | Confident | 83.5 | Confident | 27 Ų | 27 | 81 Ų | 81 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 175.7 | 178.5 | 62.3 | 0 | 0 | 0 | 111.7 | R51 E52 Q58 I59 | R51-L55 WeakPolarHBondContact O-CB 3.14Å; R51-L55 PolarHBondContact O-N 3.2Å; E52-L55 PolarHBondContact O-N 3.3Å; L55-Q58 PolarHBondContact O-N 3.45Å; L55-I59 HydrophobicContact CD1-CD1 4.15Å; L55-I59 HydrophobicContact CD1-CG1 4.44Å; L55-I59 HydrophobicContact CG-CD1 3.95Å; L55-I59 WeakPolarHBondContact O-CG1 3.24Å; L55-I59 PolarHBondContact O-N 3.08Å |
| 56 | R | 85.3 | Confident | 84.1 | Confident | 142 Ų | 142 | 83 Ų | 83 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 174.9 | 174 | 172.1 | 167.1 | 171.8 | -1.4 | 111.4 | E11 E52 K53 Q58 I59 E60 | E11-R56 IonicContact OE1-CZ 3.66Å; E11-R56 IonicContact OE1-NH1 3.13Å; E11-R56 PolarHBondContact OE1-NH1 3.36Å; E52-R56 VanDerWaalsContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CB 3.36Å; E52-R56 PolarHBondContact O-N 3.17Å; K53-R56 PolarHBondContact O-N 2.87Å; R56-Q58 PolarHBondContact O-N 3.42Å; R56-I59 PolarHBondContact O-N 3.03Å; R56-E60 VanDerWaalsContact O-CB 3.28Å; R56-E60 WeakPolarHBondContact O-CB 3.2Å; R56-E60 PolarHBondContact O-N 3.37Å |
| 57 | Q | 88.5 | Confident | 84.4 | Confident | 97 Ų | 97 | 86.9 Ų | 86.9 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.4 | -75 | 171.3 | -34.6 | 0 | 0 | 112.2 | K53 A54 E60 Q61 | K53-Q57 WeakPolarHBondContact O-CB 3.43Å; K53-Q57 VanDerWaalsContact O-CG 3.28Å; K53-Q57 WeakPolarHBondContact O-CG 3.04Å; K53-Q57 PolarHBondContact O-N 2.89Å; A54-Q57 PolarHBondContact O-N 3.38Å; Q57-E60 PolarHBondContact O-N 3.1Å; Q57-Q61 WeakPolarHBondContact O-CB 3.35Å; Q57-Q61 WeakPolarHBondContact O-CG 3.14Å; Q57-Q61 PolarHBondContact O-N 2.78Å |
| 58 | Q | 83.7 | Confident | 84.8 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175 | -70.4 | 173.1 | 7.7 | 0 | 0 | 112.4 | A54 L55 R56 K62 | A54-Q58 WeakPolarHBondContact O-CG 3.3Å; A54-Q58 PolarHBondContact O-N 2.84Å; L55-Q58 PolarHBondContact O-N 3.45Å; R56-Q58 PolarHBondContact O-N 3.42Å; Q58-K62 WeakPolarHBondContact O-CG 3.17Å; Q58-K62 PolarHBondContact O-N 2.98Å; Q58-K62 VanDerWaalsContact O-N 3.15Å |
| 59 | I | 84 | Confident | 85.5 | Confident | 41 Ų | 41 | 91.4 Ų | 91.4 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 176.3 | -69.9 | 167.9 | 0 | 0 | 0 | 110.2 | L55 R56 Q61 K62 L63 | L55-I59 HydrophobicContact CD1-CD1 4.15Å; L55-I59 HydrophobicContact CD1-CG1 4.44Å; L55-I59 HydrophobicContact CG-CD1 3.95Å; L55-I59 WeakPolarHBondContact O-CG1 3.24Å; L55-I59 PolarHBondContact O-N 3.08Å; R56-I59 PolarHBondContact O-N 3.03Å; I59-Q61 PolarHBondContact O-N 3.08Å; I59-K62 PolarHBondContact O-N 3.04Å; I59-L63 HydrophobicContact CG2-CD1 3.71Å; I59-L63 HydrophobicContact CG2-CG 4.16Å; I59-L63 WeakPolarHBondContact O-CB 3.23Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3.34Å |
| 60 | E | 90.1 | Very high | 85.8 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 179.7 | -167.9 | -170 | 142.9 | 0 | 0 | 112.1 | R56 Q57 L63 K64 | R56-E60 VanDerWaalsContact O-CB 3.28Å; R56-E60 WeakPolarHBondContact O-CB 3.2Å; R56-E60 PolarHBondContact O-N 3.37Å; Q57-E60 PolarHBondContact O-N 3.1Å; E60-L63 PolarHBondContact O-N 3.24Å; E60-K64 HydrophobicContact CG-CD 4.47Å; E60-K64 WeakPolarHBondContact O-CB 3.49Å; E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.31Å; E60-K64 WeakPolarHBondContact OE1-CE 3.11Å; E60-K64 IonicContact OE1-NZ 3.91Å; E60-K64 PolarHBondContact OE1-NZ 2.87Å |
| 61 | Q | 90.1 | Very high | 86 | Confident | 122 Ų | 122 | 91.1 Ų | 91.1 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.1 | -46.9 | 172.9 | -75.5 | 167.6 | -9 | 0 | 0 | 111.7 | Q57 I59 K64 I65 | Q57-Q61 WeakPolarHBondContact O-CB 3.35Å; Q57-Q61 WeakPolarHBondContact O-CG 3.14Å; Q57-Q61 PolarHBondContact O-N 2.78Å; I59-Q61 PolarHBondContact O-N 3.08Å; Q61-K64 PolarHBondContact O-N 2.91Å; Q61-I65 WeakPolarHBondContact O-CG1 3.08Å; Q61-I65 PolarHBondContact O-N 3.27Å; Q61-I65 VanDerWaalsContact O-N 3.15Å |
| 62 | K | 86.7 | Confident | 86.4 | Confident | 119 Ų | 119 | 90.5 Ų | 90.5 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 177.5 | -69.9 | -67.8 | -176.8 | 179.3 | 0 | 112.5 | Q58 I59 I65 I66 | Q58-K62 WeakPolarHBondContact O-CG 3.17Å; Q58-K62 PolarHBondContact O-N 2.98Å; Q58-K62 VanDerWaalsContact O-N 3.15Å; I59-K62 PolarHBondContact O-N 3.04Å; K62-I65 HydrophobicContact CD-CD1 4.5Å; K62-I65 PolarHBondContact O-N 3.45Å; K62-I66 VanDerWaalsContact O-CG1 3.31Å; K62-I66 WeakPolarHBondContact O-CG1 3.41Å; K62-I66 PolarHBondContact O-N 2.92Å |
| 63 | L | 87.8 | Confident | 86.7 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 175.4 | -72.1 | 176.1 | 0 | 0 | 0 | 112.7 | I59 E60 I66 K67 | I59-L63 HydrophobicContact CG2-CD1 3.71Å; I59-L63 HydrophobicContact CG2-CG 4.16Å; I59-L63 WeakPolarHBondContact O-CB 3.23Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3.34Å; E60-L63 PolarHBondContact O-N 3.24Å; L63-I66 PolarHBondContact O-N 3.5Å; L63-K67 WeakPolarHBondContact O-CB 3.19Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.29Å; L63-K67 PolarHBondContact O-N 2.89Å |
| 64 | K | 90.1 | Very high | 86.6 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 55% | 0.548 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 172.2 | -78.6 | 173.9 | -177.5 | 171.6 | 0 | 111.4 | E60 Q61 K67 S68 | E60-K64 HydrophobicContact CG-CD 4.47Å; E60-K64 WeakPolarHBondContact O-CB 3.49Å; E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.31Å; E60-K64 WeakPolarHBondContact OE1-CE 3.11Å; E60-K64 IonicContact OE1-NZ 3.91Å; E60-K64 PolarHBondContact OE1-NZ 2.87Å; Q61-K64 PolarHBondContact O-N 2.91Å; K64-K67 PolarHBondContact O-N 2.85Å; K64-S68 PolarHBondContact O-N 3.21Å; K64-S68 VanDerWaalsContact O-N 3.08Å; K64-S68 PolarHBondContact O-OG 3.3Å |
| 65 | I | 85.6 | Confident | 86.7 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.9 | -54.1 | 173.7 | -66.2 | 164 | 0 | 0 | 0 | 109.8 | Q61 K62 K67 S68 L69 | Q61-I65 WeakPolarHBondContact O-CG1 3.08Å; Q61-I65 PolarHBondContact O-N 3.27Å; Q61-I65 VanDerWaalsContact O-N 3.15Å; K62-I65 HydrophobicContact CD-CD1 4.5Å; K62-I65 PolarHBondContact O-N 3.45Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.84Å; I65-S68 PolarHBondContact O-N 2.79Å; I65-S68 PolarHBondContact O-OG 2.8Å; I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.4Å |
| 66 | I | 86.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.6 | -44.9 | -179.9 | -69 | 163.9 | 0 | 0 | 0 | 111.8 | K62 L63 S68 L69 V581 | K62-I66 VanDerWaalsContact O-CG1 3.31Å; K62-I66 WeakPolarHBondContact O-CG1 3.41Å; K62-I66 PolarHBondContact O-N 2.92Å; L63-I66 PolarHBondContact O-N 3.5Å; I66-S68 PolarHBondContact O-N 3.4Å; I66-L69 PolarHBondContact O-N 3.06Å; I66-V581 HydrophobicContact CD1-CG1 4.32Å |
| 67 | K | 87.3 | Confident | 86.4 | Confident | 180 Ų | 180 | 90.6 Ų | 90.6 | 78% | 0.783 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.2 | -20.8 | 177.6 | -74.3 | 179.9 | 177.7 | -171.8 | 0 | 114.2 | L63 K64 I65 | L63-K67 WeakPolarHBondContact O-CB 3.19Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.29Å; L63-K67 PolarHBondContact O-N 2.89Å; K64-K67 PolarHBondContact O-N 2.85Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.84Å |
| 68 | S | 87.6 | Confident | 86.2 | Confident | 66 Ų | 66 | 90.4 Ų | 90.4 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -87.4 | -8 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | K64 I65 I66 T70 | K64-S68 PolarHBondContact O-N 3.21Å; K64-S68 VanDerWaalsContact O-N 3.08Å; K64-S68 PolarHBondContact O-OG 3.3Å; I65-S68 PolarHBondContact O-N 2.79Å; I65-S68 PolarHBondContact O-OG 2.8Å; I66-S68 PolarHBondContact O-N 3.4Å; S68-T70 PolarHBondContact O-N 3.1Å |
| 69 | L | 89.3 | Confident | 86.2 | Confident | 67 Ų | 67 | 90 Ų | 90 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | trans | -74.7 | 108.7 | 179.5 | -58 | -179.6 | 0 | 0 | 0 | 110.6 | I65 I66 M73 L74 | I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.4Å; I66-L69 PolarHBondContact O-N 3.06Å; L69-M73 HydrophobicContact CD2-CE 4.06Å; L69-L74 HydrophobicContact CB-CD2 4.07Å; L69-L74 HydrophobicContact CB-CG 4.1Å; L69-L74 HydrophobicContact CD1-CD2 3.75Å | ||
| 70 | T | 88.6 | Confident | 85.8 | Confident | 67 Ų | 67 | 93.5 Ų | 93.5 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | trans | -72.5 | 160.6 | 167.5 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | S68 V72 M73 L74 | S68-T70 PolarHBondContact O-N 3.1Å; T70-V72 PolarHBondContact O-N 2.74Å; T70-V72 PolarHBondContact OG1-N 3Å; T70-M73 HydrophobicContact CG2-SD 4.06Å; T70-M73 CarbonylContact O-C 3.59Å; T70-M73 PolarHBondContact O-N 2.8Å; T70-M73 VanDerWaalsContact OG1-CG 3.31Å; T70-M73 WeakPolarHBondContact OG1-CG 3.23Å; T70-M73 PolarHBondContact OG1-N 3.22Å; T70-L74 PolarHBondContact O-N 2.79Å | ||
| 71 | P | 86.8 | Confident | 85 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.1 | -31.2 | 171.7 | -26.9 | 36.2 | 0 | 0 | 0 | 113.5 | L74 K75 | P71-L74 PolarHBondContact O-N 3.31Å; P71-K75 WeakPolarHBondContact O-CB 3.34Å; P71-K75 PolarHBondContact O-N 2.86Å |
| 72 | V | 87.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 88.3 Ų | 88.3 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.2 | -40.3 | 174.3 | -178 | 0 | 0 | 0 | 0 | 111.1 | T70 L74 K75 S76 | T70-V72 PolarHBondContact O-N 2.74Å; T70-V72 PolarHBondContact OG1-N 3Å; V72-L74 VanDerWaalsContact C-N 3.35Å; V72-K75 PolarHBondContact O-N 3.36Å; V72-S76 WeakPolarHBondContact O-CB 3.41Å; V72-S76 PolarHBondContact O-N 3.46Å |
| 73 | M | 85.4 | Confident | 83.9 | Confident | 91 Ų | 91 | 88.1 Ų | 88.1 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -34.6 | 173.3 | -70.1 | 165.8 | 72 | 0 | 0 | 112.3 | L69 T70 G77 | L69-M73 HydrophobicContact CD2-CE 4.06Å; T70-M73 HydrophobicContact CG2-SD 4.06Å; T70-M73 CarbonylContact O-C 3.59Å; T70-M73 PolarHBondContact O-N 2.8Å; T70-M73 VanDerWaalsContact OG1-CG 3.31Å; T70-M73 WeakPolarHBondContact OG1-CG 3.23Å; T70-M73 PolarHBondContact OG1-N 3.22Å; M73-G77 PolarHBondContact O-N 3.06Å |
| 74 | L | 85.1 | Confident | 83 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 44% | 0.44 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -52 | 171.7 | -70.7 | 170.3 | 0 | 0 | 0 | 110.5 | L69 T70 P71 V72 S76 G77 E78 | L69-L74 HydrophobicContact CB-CD2 4.07Å; L69-L74 HydrophobicContact CB-CG 4.1Å; L69-L74 HydrophobicContact CD1-CD2 3.75Å; T70-L74 PolarHBondContact O-N 2.79Å; P71-L74 PolarHBondContact O-N 3.31Å; V72-L74 VanDerWaalsContact C-N 3.35Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 3.31Å; L74-G77 CarbonylContact O-C 3.49Å; L74-G77 PolarHBondContact O-N 3.43Å; L74-G77 VanDerWaalsContact O-N 3.1Å; L74-E78 WeakPolarHBondContact O-CG 3.35Å; L74-E78 PolarHBondContact O-N 2.73Å |
| 75 | K | 83.9 | Confident | 81.7 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 178.4 | -169.4 | 63.8 | -115 | 171.2 | 0 | 112.7 | P71 V72 E78 L79 | P71-K75 WeakPolarHBondContact O-CB 3.34Å; P71-K75 PolarHBondContact O-N 2.86Å; V72-K75 PolarHBondContact O-N 3.36Å; K75-E78 WeakPolarHBondContact CD-OE2 3.5Å; K75-E78 VanDerWaalsContact CE-OE2 3.29Å; K75-E78 WeakPolarHBondContact CE-OE2 3.12Å; K75-E78 IonicContact NZ-OE2 3.73Å; K75-E78 PolarHBondContact NZ-OE2 2.93Å; K75-L79 WeakPolarHBondContact O-CB 3.32Å; K75-L79 VanDerWaalsContact O-CG 3.26Å; K75-L79 WeakPolarHBondContact O-CG 3.19Å; K75-L79 PolarHBondContact O-N 2.71Å |
| 76 | S | 83.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 49% | 0.49 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.9 | -35.5 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 112 | V72 L74 L79 E80 | V72-S76 WeakPolarHBondContact O-CB 3.41Å; V72-S76 PolarHBondContact O-N 3.46Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 3.31Å; S76-L79 PolarHBondContact O-N 3.32Å; S76-E80 VanDerWaalsContact O-CB 3.27Å; S76-E80 WeakPolarHBondContact O-CB 2.76Å; S76-E80 PolarHBondContact O-N 3.26Å |
| 77 | G | 76.8 | Confident | 80.4 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.2 | -32.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M73 L74 A81 | M73-G77 PolarHBondContact O-N 3.06Å; L74-G77 CarbonylContact O-C 3.49Å; L74-G77 PolarHBondContact O-N 3.43Å; L74-G77 VanDerWaalsContact O-N 3.1Å; G77-A81 WeakPolarHBondContact O-CB 3.29Å; G77-A81 PolarHBondContact O-N 2.85Å |
| 78 | E | 84.9 | Confident | 79.2 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 167.6 | -73.7 | 172 | -169.8 | 0 | 0 | 111.1 | L74 K75 A81 D82 | L74-E78 WeakPolarHBondContact O-CG 3.35Å; L74-E78 PolarHBondContact O-N 2.73Å; K75-E78 WeakPolarHBondContact CD-OE2 3.5Å; K75-E78 VanDerWaalsContact CE-OE2 3.29Å; K75-E78 WeakPolarHBondContact CE-OE2 3.12Å; K75-E78 IonicContact NZ-OE2 3.73Å; K75-E78 PolarHBondContact NZ-OE2 2.93Å; E78-A81 CarbonylContact O-C 3.47Å; E78-A81 PolarHBondContact O-N 2.9Å; E78-D82 WeakPolarHBondContact O-CB 3.43Å; E78-D82 PolarHBondContact O-N 2.98Å |
| 79 | L | 82.1 | Confident | 78.2 | Confident | 91 Ų | 91 | 84.3 Ų | 84.3 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.6 | -75 | 168.5 | 0 | 0 | 0 | 112.2 | K75 S76 D82 H83 | K75-L79 WeakPolarHBondContact O-CB 3.32Å; K75-L79 VanDerWaalsContact O-CG 3.26Å; K75-L79 WeakPolarHBondContact O-CG 3.19Å; K75-L79 PolarHBondContact O-N 2.71Å; S76-L79 PolarHBondContact O-N 3.32Å; L79-D82 CarbonylContact O-C 3.59Å; L79-D82 PolarHBondContact O-N 2.76Å; L79-H83 WeakPolarHBondContact O-CB 3.11Å; L79-H83 PolarHBondContact O-CD2 2.92Å; L79-H83 VanDerWaalsContact O-CD2 3.31Å; L79-H83 PolarHBondContact O-N 2.87Å |
| 80 | E | 76.4 | Confident | 77.3 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 174.7 | -172.5 | 57.6 | -148.2 | 0 | 0 | 110.8 | S76 D82 H83 I84 | S76-E80 VanDerWaalsContact O-CB 3.27Å; S76-E80 WeakPolarHBondContact O-CB 2.76Å; S76-E80 PolarHBondContact O-N 3.26Å; E80-D82 VanDerWaalsContact C-N 3.3Å; E80-D82 PolarHBondContact O-N 3.21Å; E80-H83 PolarHBondContact O-N 3.05Å; E80-I84 HydrophobicContact CG-CD1 4.06Å; E80-I84 WeakPolarHBondContact O-CB 3.3Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 2.88Å |
| 81 | A | 73.6 | Confident | 76.3 | Confident | 26 Ų | 26 | 91 Ų | 91 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.6 | -34 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G77 E78 L85 | G77-A81 WeakPolarHBondContact O-CB 3.29Å; G77-A81 PolarHBondContact O-N 2.85Å; E78-A81 CarbonylContact O-C 3.47Å; E78-A81 PolarHBondContact O-N 2.9Å; A81-L85 WeakPolarHBondContact O-CA 3.21Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 WeakPolarHBondContact O-CD1 2.86Å; A81-L85 WeakPolarHBondContact O-CG 3.41Å; A81-L85 PolarHBondContact O-N 3.25Å |
| 82 | D | 80.8 | Confident | 75 | Confident | 74 Ų | 74 | 90.1 Ų | 90.1 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.4 | -32 | 174.1 | -92.6 | -37.2 | 0 | 0 | 0 | 112.4 | E78 L79 E80 L85 K86 | E78-D82 WeakPolarHBondContact O-CB 3.43Å; E78-D82 PolarHBondContact O-N 2.98Å; L79-D82 CarbonylContact O-C 3.59Å; L79-D82 PolarHBondContact O-N 2.76Å; E80-D82 VanDerWaalsContact C-N 3.3Å; E80-D82 PolarHBondContact O-N 3.21Å; D82-L85 CarbonylContact O-C 3.57Å; D82-K86 WeakPolarHBondContact O-CB 2.85Å; D82-K86 PolarHBondContact O-N 3.12Å |
| 83 | H | 73.7 | Confident | 73.6 | Confident | 115 Ų | 115 | 92.5 Ų | 92.5 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.4 | -46.5 | 171.5 | -93.4 | -96.3 | 0 | 0 | 0 | 111.4 | L79 E80 L85 K86 D87 | L79-H83 WeakPolarHBondContact O-CB 3.11Å; L79-H83 PolarHBondContact O-CD2 2.92Å; L79-H83 VanDerWaalsContact O-CD2 3.31Å; L79-H83 PolarHBondContact O-N 2.87Å; E80-H83 PolarHBondContact O-N 3.05Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 2.79Å; H83-K86 WeakPolarHBondContact O-CB 3.1Å; H83-K86 PolarHBondContact O-N 2.7Å; H83-K86 VanDerWaalsContact O-N 3.08Å; H83-D87 WeakPolarHBondContact O-CB 3.39Å; H83-D87 PolarHBondContact O-N 3.2Å |
| 84 | I | 67.8 | Low | 73.1 | Confident | 82 Ų | 82 | 95 Ų | 95 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 170.1 | -68.5 | 165.6 | 0 | 0 | 0 | 109.8 | E80 K86 L88 | E80-I84 HydrophobicContact CG-CD1 4.06Å; E80-I84 WeakPolarHBondContact O-CB 3.3Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 2.88Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 2.63Å; I84-L88 HydrophobicContact CG2-CD1 3.75Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.27Å |
| 85 | L | 63.1 | Low | 72.6 | Confident | 53 Ų | 53 | 95 Ų | 95 | 28% | 0.277 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 173.6 | -78.8 | 166.8 | 0 | 0 | 0 | 111.7 | A81 D82 H83 R89 | A81-L85 WeakPolarHBondContact O-CA 3.21Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 WeakPolarHBondContact O-CD1 2.86Å; A81-L85 WeakPolarHBondContact O-CG 3.41Å; A81-L85 PolarHBondContact O-N 3.25Å; D82-L85 CarbonylContact O-C 3.57Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 2.79Å; L85-R89 WeakPolarHBondContact O-CA 3.29Å; L85-R89 WeakPolarHBondContact O-CB 3.39Å; L85-R89 WeakPolarHBondContact O-CD 3.04Å; L85-R89 WeakPolarHBondContact O-CG 3.44Å; L85-R89 PolarHBondContact O-N 2.85Å |
| 86 | K | 75.5 | Confident | 72.3 | Confident | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.8 | -48.1 | 176.6 | -178 | -177.3 | 175.6 | -174.9 | 0 | 111.3 | D82 H83 I84 R89 Q90 | D82-K86 WeakPolarHBondContact O-CB 2.85Å; D82-K86 PolarHBondContact O-N 3.12Å; H83-K86 WeakPolarHBondContact O-CB 3.1Å; H83-K86 PolarHBondContact O-N 2.7Å; H83-K86 VanDerWaalsContact O-N 3.08Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 2.63Å; K86-R89 CarbonylContact O-C 3.49Å; K86-R89 WeakPolarHBondContact O-CA 3.28Å; K86-R89 WeakPolarHBondContact O-CB 3.28Å; K86-R89 PolarHBondContact O-N 2.79Å; K86-R89 VanDerWaalsContact O-N 3.09Å; K86-Q90 WeakPolarHBondContact O-CG 3.12Å; K86-Q90 PolarHBondContact O-N 3Å |
| 87 | D | 68.7 | Low | 72.2 | Confident | 65 Ų | 65 | 94.2 Ų | 94.2 | 35% | 0.348 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 174.2 | 174.1 | 61.1 | 0 | 0 | 0 | 110.7 | H83 R89 Q90 K91 | H83-D87 WeakPolarHBondContact O-CB 3.39Å; H83-D87 PolarHBondContact O-N 3.2Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 3.23Å; D87-Q90 CarbonylContact O-C 3.57Å; D87-Q90 PolarHBondContact O-N 3.39Å; D87-Q90 VanDerWaalsContact O-N 3.08Å; D87-K91 WeakPolarHBondContact O-CB 3.39Å; D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 2.64Å; D87-K91 WeakPolarHBondContact OD1-CE 2.97Å; D87-K91 IonicContact OD1-NZ 2.69Å; D87-K91 PolarHBondContact OD1-NZ 3.28Å; D87-K91 WeakPolarHBondContact OD2-CD 3.42Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 2.76Å; D87-K91 PolarHBondContact OD2-NZ 2.99Å |
| 88 | L | 63.1 | Low | 72.6 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | 170.4 | -69.5 | 174 | 0 | 0 | 0 | 111.7 | I84 Q90 K91 R92 | I84-L88 HydrophobicContact CG2-CD1 3.75Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.27Å; L88-Q90 VanDerWaalsContact C-N 3.25Å; L88-Q90 PolarHBondContact O-N 2.76Å; L88-K91 CarbonylContact O-C 3.58Å; L88-K91 PolarHBondContact O-N 2.77Å; L88-R92 VanDerWaalsContact O-CG 3.27Å; L88-R92 WeakPolarHBondContact O-CG 3.23Å; L88-R92 PolarHBondContact O-N 2.71Å |
| 89 | R | 66.3 | Low | 72.5 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -29.3 | 178 | -84.6 | 161.2 | 176.6 | 152.8 | -3 | 112.5 | L85 K86 D87 R92 | L85-R89 WeakPolarHBondContact O-CA 3.29Å; L85-R89 WeakPolarHBondContact O-CB 3.39Å; L85-R89 WeakPolarHBondContact O-CD 3.04Å; L85-R89 WeakPolarHBondContact O-CG 3.44Å; L85-R89 PolarHBondContact O-N 2.85Å; K86-R89 CarbonylContact O-C 3.49Å; K86-R89 WeakPolarHBondContact O-CA 3.28Å; K86-R89 WeakPolarHBondContact O-CB 3.28Å; K86-R89 PolarHBondContact O-N 2.79Å; K86-R89 VanDerWaalsContact O-N 3.09Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 3.23Å; R89-R92 PolarHBondContact O-NE 3.38Å; R89-R92 PolarHBondContact O-NH2 3.34Å |
| 90 | Q | 71.4 | Confident | 72.7 | Confident | 141 Ų | 141 | 91.4 Ų | 91.4 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -83.5 | -41.4 | 174.9 | -69.4 | 172.8 | -62.2 | 0 | 0 | 111.6 | K86 D87 L88 R92 | K86-Q90 WeakPolarHBondContact O-CG 3.12Å; K86-Q90 PolarHBondContact O-N 3Å; D87-Q90 CarbonylContact O-C 3.57Å; D87-Q90 PolarHBondContact O-N 3.39Å; D87-Q90 VanDerWaalsContact O-N 3.08Å; L88-Q90 VanDerWaalsContact C-N 3.25Å; L88-Q90 PolarHBondContact O-N 2.76Å; Q90-R92 VanDerWaalsContact C-N 3.28Å; Q90-R92 PolarHBondContact O-N 3.12Å |
| 91 | K | 66.2 | Low | 73.1 | Confident | 133 Ų | 133 | 86.4 Ų | 86.4 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71.5 | -13.8 | 173.9 | -71.2 | 174.1 | 177.5 | 160.7 | 0 | 114.2 | D87 L88 R93 | D87-K91 WeakPolarHBondContact O-CB 3.39Å; D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 2.64Å; D87-K91 WeakPolarHBondContact OD1-CE 2.97Å; D87-K91 IonicContact OD1-NZ 2.69Å; D87-K91 PolarHBondContact OD1-NZ 3.28Å; D87-K91 WeakPolarHBondContact OD2-CD 3.42Å; D87-K91 WeakPolarHBondContact OD2-CE 3.44Å; D87-K91 IonicContact OD2-NZ 2.76Å; D87-K91 PolarHBondContact OD2-NZ 2.99Å; L88-K91 CarbonylContact O-C 3.58Å; L88-K91 PolarHBondContact O-N 2.77Å; K91-R93 VanDerWaalsContact C-N 3.29Å; K91-R93 PolarHBondContact O-N 3.03Å |
| 92 | R | 59 | Low | 73.7 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | trans | -62.4 | 88 | 167.3 | -83.7 | -179.2 | -43.1 | 168.2 | 10 | 110.2 | L88 R89 Q90 F94 M240 | L88-R92 VanDerWaalsContact O-CG 3.27Å; L88-R92 WeakPolarHBondContact O-CG 3.23Å; L88-R92 PolarHBondContact O-N 2.71Å; R89-R92 PolarHBondContact O-NE 3.38Å; R89-R92 PolarHBondContact O-NH2 3.34Å; Q90-R92 VanDerWaalsContact C-N 3.28Å; Q90-R92 PolarHBondContact O-N 3.12Å; R92-F94 VanDerWaalsContact C-N 3.28Å; R92-F94 HydrophobicContact CB-CD2 4.16Å; R92-F94 HydrophobicContact CB-CE2 3.81Å; R92-F94 HydrophobicContact CB-CZ 4.25Å; R92-F94 HydrophobicContact CG-CE2 4.47Å; R92-F94 HydrophobicContact CG-CZ 4.48Å; R92-F94 VanDerWaalsContact CZ-CE2 3.46Å; R92-F94 WeakPolarHBondContact O-CD2 3.27Å; R92-F94 PolarHBondContact O-N 2.7Å; R92-M240 PolarHBondContact NH1-SD 3.32Å | ||
| 93 | R | 58.6 | Low | 74.1 | Confident | 162 Ų | 162 | 87.5 Ų | 87.5 | 61% | 0.611 | 41% | 0.411 | S | S | * | . | trans | -72.3 | 81.5 | 171 | -66.3 | 172.3 | 73.6 | 174.8 | -0.2 | 109.9 | K91 S95 R96 | K91-R93 VanDerWaalsContact C-N 3.29Å; K91-R93 PolarHBondContact O-N 3.03Å; R93-S95 PolarHBondContact O-N 2.73Å; R93-R96 PolarHBondContact O-N 2.79Å | ||
| 94 | F | 75.2 | Confident | 74.7 | Confident | 142 Ų | 142 | 84.6 Ų | 84.6 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.6 | 170.5 | -68.4 | -75 | 0 | 0 | 0 | 113.6 | R92 R96 | R92-F94 VanDerWaalsContact C-N 3.28Å; R92-F94 HydrophobicContact CB-CD2 4.16Å; R92-F94 HydrophobicContact CB-CE2 3.81Å; R92-F94 HydrophobicContact CB-CZ 4.25Å; R92-F94 HydrophobicContact CG-CE2 4.47Å; R92-F94 HydrophobicContact CG-CZ 4.48Å; R92-F94 VanDerWaalsContact CZ-CE2 3.46Å; R92-F94 WeakPolarHBondContact O-CD2 3.27Å; R92-F94 PolarHBondContact O-N 2.7Å; F94-R96 PolarHBondContact O-N 3.39Å |
| 95 | S | 73.9 | Confident | 75.5 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9.8 | 175 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | R93 T214 | R93-S95 PolarHBondContact O-N 2.73Å; S95-T214 WeakPolarHBondContact O-CG2 3.11Å |
| 96 | R | 77.9 | Confident | 77 | Confident | 70 Ų | 70 | 78.6 Ų | 78.6 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | trans | -121 | 147.4 | 179.9 | -61 | -64.1 | -104.1 | -164.6 | 3.8 | 112.1 | R93 F94 I98 D212 T214 D215 | R93-R96 PolarHBondContact O-N 2.79Å; F94-R96 PolarHBondContact O-N 3.39Å; R96-I98 HydrophobicContact CB-CD1 4.33Å; R96-D212 WeakPolarHBondContact CB-OD2 3.46Å; R96-D212 VanDerWaalsContact CD-OD2 3.32Å; R96-D212 WeakPolarHBondContact CD-OD2 3.48Å; R96-D212 WeakPolarHBondContact CG-OD2 3.28Å; R96-D212 IonicContact CZ-OD2 3.92Å; R96-D212 IonicContact NE-OD1 3.88Å; R96-D212 IonicContact NE-OD2 3.34Å; R96-D212 PolarHBondContact NE-OD2 2.83Å; R96-D212 IonicContact NH2-OD2 3.9Å; R96-T214 WeakPolarHBondContact CA-OG1 3.04Å; R96-D215 IonicContact CZ-OD1 3.8Å; R96-D215 IonicContact CZ-OD2 2.95Å; R96-D215 IonicContact NH1-OD1 3.79Å; R96-D215 PolarHBondContact NH1-OD1 2.74Å; R96-D215 IonicContact NH1-OD2 3.47Å; R96-D215 PolarHBondContact NH1-OD2 3.36Å; R96-D215 IonicContact NH2-OD2 2.64Å; R96-D215 PolarHBondContact NH2-OD2 2.65Å; R96-D215 VanDerWaalsContact NH2-OD2 3.13Å | ||
| 97 | L | 82 | Confident | 77.9 | Confident | 84 Ų | 84 | 73 Ų | 73 | 44% | 0.44 | 34% | 0.344 | S | S | . | . | trans | -126.4 | 119.2 | -176.2 | -177.2 | 73 | 0 | 0 | 0 | 111.9 | I213 T214 L217 | L97-I213 HydrophobicContact CB-CG1 4.46Å; L97-I213 HydrophobicContact CD2-CD1 3.98Å; L97-I213 HydrophobicContact CD2-CG1 4Å; L97-I213 HydrophobicContact CG-CG1 4.31Å; L97-I213 PolarHBondContact O-N 2.76Å; L97-T214 PolarHBondContact N-OG1 2.79Å; L97-L217 HydrophobicContact CD2-CD1 3.46Å; L97-L217 VanDerWaalsContact CD2-CD1 3.46Å | ||
| 98 | I | 83.8 | Confident | 79 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.1 | -169.6 | -37 | -61 | 0 | 0 | 0 | 111.9 | R96 Y210 L211 D212 | R96-I98 HydrophobicContact CB-CD1 4.33Å; I98-Y210 HydrophobicContact CG2-CD1 3.53Å; I98-Y210 HydrophobicContact CG2-CE1 4.34Å; I98-Y210 HydrophobicContact CG2-CG 4.29Å; I98-L211 WeakPolarHBondContact CA-O 3.26Å; I98-L211 WeakPolarHBondContact CG2-O 3.33Å; I98-D212 HydrophobicContact CD1-CB 3.64Å; I98-D212 VanDerWaalsContact CD1-CG 3.5Å |
| 99 | V | 84 | Confident | 80.5 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.4 | -162 | -168.3 | 0 | 0 | 0 | 0 | 116.7 | L211 I213 K613 | V99-L211 HydrophobicContact CB-CD1 3.91Å; V99-L211 PolarHBondContact N-O 3.41Å; V99-I213 HydrophobicContact CG2-CD1 3.94Å; V99-I213 HydrophobicContact CG2-CG1 4.1Å; V99-I213 HydrophobicContact CG2-CG2 4.39Å; V99-K613 WeakPolarHBondContact CG1-O 3.34Å |
| 100 | H | 86.5 | Confident | 81.9 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | trans | -152.5 | 128.5 | -174.5 | -124.1 | -115 | 0 | 0 | 0 | 116.5 | A209 Y210 S614 K616 S617 F618 G619 | H100-A209 PolarHBondContact CD2-O 3.03Å; H100-Y210 AromaticContact CD2-CD1 3.49Å; H100-Y210 VanDerWaalsContact CD2-CD1 3.49Å; H100-Y210 WeakPolarHBondContact CD2-CD1 3.01Å; H100-Y210 AromaticContact CD2-CE1 3.2Å; H100-Y210 WeakPolarHBondContact CD2-CE1 3.32Å; H100-Y210 AromaticContact CD2-CE2 3.95Å; H100-Y210 AromaticContact CD2-CZ 3.45Å; H100-Y210 VanDerWaalsContact CD2-CZ 3.45Å; H100-Y210 AromaticContact NE2-CE1 3.8Å; H100-Y210 AromaticContact NE2-CE2 3.36Å; H100-Y210 WeakPolarHBondContact NE2-CE2 3.39Å; H100-Y210 AromaticContact NE2-CZ 3.2Å; H100-Y210 PolarHBondContact NE2-OH 3.27Å; H100-S614 VanDerWaalsContact O-O 3.14Å; H100-K616 WeakPolarHBondContact CA-O 2.98Å; H100-K616 PolarHBondContact CD2-O 3.23Å; H100-S617 VanDerWaalsContact CD2-CA 3.44Å; H100-S617 WeakPolarHBondContact CD2-CA 3.47Å; H100-S617 PolarHBondContact CD2-O 3.08Å; H100-S617 WeakPolarHBondContact CE1-CA 3.22Å; H100-S617 WeakPolarHBondContact CE1-CB 3.05Å; H100-S617 PolarHBondContact CE1-O 3.41Å; H100-S617 PolarHBondContact CE1-OG 3.4Å; H100-S617 WeakPolarHBondContact ND1-CA 3.46Å; H100-S617 WeakPolarHBondContact ND1-CB 3.3Å; H100-S617 PolarHBondContact ND1-O 3.33Å; H100-S617 PolarHBondContact ND1-OG 2.95Å; H100-S617 PolarHBondContact NE2-O 3.46Å; H100-F618 PolarHBondContact CD2-N 3.01Å; H100-F618 WeakPolarHBondContact CE1-CA 3.04Å; H100-F618 VanDerWaalsContact CE1-CB 3.47Å; H100-F618 WeakPolarHBondContact CE1-CB 3.03Å; H100-F618 PolarHBondContact CE1-N 2.93Å; H100-F618 WeakPolarHBondContact ND1-CA 3.5Å; H100-F618 VanDerWaalsContact ND1-CB 3.27Å; H100-F618 WeakPolarHBondContact ND1-CB 3.36Å; H100-F618 PolarHBondContact ND1-N 3.19Å; H100-F618 WeakPolarHBondContact NE2-CA 3.13Å; H100-F618 PolarHBondContact NE2-N 3.19Å; H100-G619 PolarHBondContact CE1-N 2.89Å; H100-G619 PolarHBondContact NE2-N 2.59Å | ||
| 101 | V | 83.9 | Confident | 83 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | cis | 69.6 | 52.3 | 20.7 | -135.1 | 0 | 0 | 0 | 0 | 119.9 | M103 V176 L180 D207 N615 K616 S617 | V101-M103 VanDerWaalsContact C-N 3.32Å; V101-M103 HydrophobicContact CG1-CB 3.51Å; V101-M103 HydrophobicContact CG1-CG 3.22Å; V101-M103 HydrophobicContact CG1-SD 3.63Å; V101-M103 HydrophobicContact CG2-CG 4.35Å; V101-M103 PolarHBondContact O-N 3.16Å; V101-V176 HydrophobicContact CG2-CG1 4.37Å; V101-L180 HydrophobicContact CG2-CD1 3.86Å; V101-D207 VanDerWaalsContact O-O 3.06Å; V101-N615 WeakPolarHBondContact CA-OD1 3.45Å; V101-N615 VanDerWaalsContact CB-CA 3.49Å; V101-N615 HydrophobicContact CB-CB 3.65Å; V101-N615 HydrophobicContact CG1-CB 4.04Å; V101-N615 WeakPolarHBondContact CG1-ND2 3.45Å; V101-N615 WeakPolarHBondContact CG1-OD1 3.31Å; V101-N615 HydrophobicContact CG2-CB 3.28Å; V101-N615 VanDerWaalsContact CG2-CG 3.49Å; V101-N615 WeakPolarHBondContact CG2-O 3.17Å; V101-N615 PolarHBondContact N-OD1 3.21Å; V101-N615 VanDerWaalsContact N-OD1 3.16Å; V101-K616 HydrophobicContact CG2-CB 4.42Å; V101-S617 WeakPolarHBondContact O-CA 3.34Å; V101-S617 WeakPolarHBondContact O-CB 3.2Å; V101-S617 PolarHBondContact O-N 3.49Å; V101-S617 PolarHBondContact O-OG 3.41Å | ||
| 102 | D | 87.3 | Confident | 84.3 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | trans | -73.8 | 102.6 | 144 | -134.7 | -96.8 | 0 | 0 | 0 | 106.5 | D104 S617 | D102-D104 PolarHBondContact O-N 2.87Å; D102-S617 WeakPolarHBondContact CA-OG 3.31Å; D102-S617 WeakPolarHBondContact CB-OG 3.22Å; D102-S617 PolarHBondContact N-OG 3.41Å; D102-S617 PolarHBondContact OD2-OG 3.21Å | ||
| 103 | M | 88 | Confident | 85.9 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | trans | -67.9 | 127.1 | 175.9 | -95.5 | -48.8 | -84.6 | 0 | 0 | 100.9 | V101 A105 F106 V176 N639 | V101-M103 VanDerWaalsContact C-N 3.32Å; V101-M103 HydrophobicContact CG1-CB 3.51Å; V101-M103 HydrophobicContact CG1-CG 3.22Å; V101-M103 HydrophobicContact CG1-SD 3.63Å; V101-M103 HydrophobicContact CG2-CG 4.35Å; V101-M103 PolarHBondContact O-N 3.16Å; M103-A105 PolarHBondContact O-N 3.43Å; M103-F106 HydrophobicContact CB-CD2 4Å; M103-F106 HydrophobicContact CB-CE2 4.22Å; M103-F106 HydrophobicContact CE-CD2 4.28Å; M103-F106 HydrophobicContact CE-CE2 3.76Å; M103-F106 HydrophobicContact CG-CD2 4.35Å; M103-F106 HydrophobicContact CG-CE2 4.06Å; M103-V176 HydrophobicContact CE-CG2 4.08Å; M103-V176 HydrophobicContact CG-CG1 4.22Å; M103-V176 HydrophobicContact CG-CG2 4.5Å; M103-V176 HydrophobicContact SD-CG1 4.47Å; M103-V176 HydrophobicContact SD-CG2 4.37Å; M103-N639 WeakPolarHBondContact CA-ND2 3.38Å; M103-N639 WeakPolarHBondContact CB-ND2 3.4Å; M103-N639 PolarHBondContact O-ND2 3.13Å | ||
| 104 | D | 85.8 | Confident | 87.5 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 101.4 | -154.9 | -120.3 | -40.2 | 0 | 0 | 0 | 112.2 | D102 F106 A109 Y136 | D102-D104 PolarHBondContact O-N 2.87Å; D104-F106 PolarHBondContact O-N 2.95Å; D104-A109 WeakPolarHBondContact O-CB 3.22Å; D104-Y136 HydrophobicContact CB-CE2 4.28Å; D104-Y136 WeakPolarHBondContact OD1-CE2 3.35Å; D104-Y136 PolarHBondContact OD1-OH 2.96Å |
| 105 | A | 85.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M103 Y107 A108 A109 T133 S134 Y136 R139 | M103-A105 PolarHBondContact O-N 3.43Å; A105-Y107 VanDerWaalsContact C-N 3.26Å; A105-Y107 PolarHBondContact O-N 2.86Å; A105-A108 PolarHBondContact O-N 2.91Å; A105-A108 VanDerWaalsContact O-N 3.14Å; A105-A109 PolarHBondContact O-N 3.46Å; A105-T133 HydrophobicContact CB-CG2 4.4Å; A105-S134 WeakPolarHBondContact CB-O 2.99Å; A105-Y136 HydrophobicContact CB-CE2 4.1Å; A105-R139 VanDerWaalsContact CB-CZ 3.43Å; A105-R139 VanDerWaalsContact CB-NH2 3.35Å |
| 106 | F | 94 | Very high | 89 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -31.1 | -56.5 | -160.3 | -123.9 | -164.2 | 0 | 0 | 0 | 113.7 | M103 D104 A108 A109 V110 Y169 A172 E637 N639 | M103-F106 HydrophobicContact CB-CD2 4Å; M103-F106 HydrophobicContact CB-CE2 4.22Å; M103-F106 HydrophobicContact CE-CD2 4.28Å; M103-F106 HydrophobicContact CE-CE2 3.76Å; M103-F106 HydrophobicContact CG-CD2 4.35Å; M103-F106 HydrophobicContact CG-CE2 4.06Å; D104-F106 PolarHBondContact O-N 2.95Å; F106-A108 CarbonylContact O-C 3.58Å; F106-A108 PolarHBondContact O-N 3.14Å; F106-A108 VanDerWaalsContact O-N 3.16Å; F106-A109 CarbonylContact O-C 3.57Å; F106-A109 VanDerWaalsContact O-C 3.29Å; F106-A109 WeakPolarHBondContact O-CA 3.03Å; F106-A109 WeakPolarHBondContact O-CB 3.08Å; F106-A109 PolarHBondContact O-N 3.02Å; F106-V110 HydrophobicContact CB-CG2 4.37Å; F106-V110 HydrophobicContact CD1-CG2 4.11Å; F106-V110 HydrophobicContact CD2-CG2 3.94Å; F106-V110 HydrophobicContact CE1-CG2 4.36Å; F106-V110 HydrophobicContact CE2-CG2 4.18Å; F106-V110 HydrophobicContact CG-CG2 3.91Å; F106-V110 HydrophobicContact CZ-CG2 4.39Å; F106-V110 WeakPolarHBondContact O-CG2 3.5Å; F106-V110 PolarHBondContact O-N 2.98Å; F106-Y169 WeakPolarHBondContact CE1-O 3.28Å; F106-A172 HydrophobicContact CE1-CB 3.98Å; F106-A172 HydrophobicContact CE2-CB 4.33Å; F106-A172 HydrophobicContact CZ-CB 3.6Å; F106-E637 WeakPolarHBondContact CE1-O 3.4Å; F106-N639 WeakPolarHBondContact CA-ND2 3.41Å; F106-N639 HydrophobicContact CB-CB 3.48Å; F106-N639 VanDerWaalsContact CB-CB 3.48Å; F106-N639 WeakPolarHBondContact CB-ND2 3.44Å; F106-N639 VanDerWaalsContact CD1-OD1 3.29Å; F106-N639 WeakPolarHBondContact CD1-OD1 3.21Å; F106-N639 WeakPolarHBondContact CD2-ND2 3.29Å; F106-N639 HydrophobicContact CG-CB 4.1Å; F106-N639 WeakPolarHBondContact CG-ND2 3.37Å; F106-N639 WeakPolarHBondContact CG-OD1 3.36Å; F106-N639 PolarHBondContact N-ND2 2.97Å |
| 107 | Y | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | -156.9 | -63.6 | 3.4 | 0 | 0 | 0 | 108.9 | A105 A109 V110 E111 V125 F166 Y169 L638 N639 R640 K641 M643 E676 L748 | A105-Y107 VanDerWaalsContact C-N 3.26Å; A105-Y107 PolarHBondContact O-N 2.86Å; Y107-A109 VanDerWaalsContact C-N 3.35Å; Y107-A109 PolarHBondContact O-N 3.03Å; Y107-V110 PolarHBondContact O-N 3.29Å; Y107-E111 PolarHBondContact O-N 2.99Å; Y107-V125 HydrophobicContact CD2-CG1 3.77Å; Y107-V125 HydrophobicContact CG-CG1 4.07Å; Y107-F166 HydrophobicContact CE2-CD1 4.24Å; Y107-F166 HydrophobicContact CE2-CE1 4.41Å; Y107-F166 AromaticContact CZ-CD1 3.87Å; Y107-F166 AromaticContact CZ-CE1 3.99Å; Y107-F166 WeakPolarHBondContact OH-CD1 3.18Å; Y107-F166 WeakPolarHBondContact OH-CE1 3.33Å; Y107-Y169 VanDerWaalsContact CB-CZ 3.42Å; Y107-Y169 WeakPolarHBondContact CB-OH 3.42Å; Y107-Y169 HydrophobicContact CD1-CD1 4.07Å; Y107-Y169 AromaticContact CD1-CD2 3.19Å; Y107-Y169 HydrophobicContact CD1-CD2 3.19Å; Y107-Y169 HydrophobicContact CD1-CE1 4.04Å; Y107-Y169 AromaticContact CD1-CE2 3.18Å; Y107-Y169 HydrophobicContact CD1-CE2 3.18Å; Y107-Y169 AromaticContact CD1-CG 3.7Å; Y107-Y169 HydrophobicContact CD1-CG 3.7Å; Y107-Y169 AromaticContact CD1-CZ 3.67Å; Y107-Y169 AromaticContact CD2-CD2 3.89Å; Y107-Y169 HydrophobicContact CD2-CD2 3.89Å; Y107-Y169 AromaticContact CD2-CE2 3.05Å; Y107-Y169 HydrophobicContact CD2-CE2 3.05Å; Y107-Y169 AromaticContact CD2-CZ 3.49Å; Y107-Y169 VanDerWaalsContact CD2-CZ 3.49Å; Y107-Y169 WeakPolarHBondContact CD2-OH 3.46Å; Y107-Y169 AromaticContact CE1-CD2 3.03Å; Y107-Y169 HydrophobicContact CE1-CD2 3.03Å; Y107-Y169 AromaticContact CE1-CE2 3.33Å; Y107-Y169 HydrophobicContact CE1-CE2 3.33Å; Y107-Y169 AromaticContact CE1-CG 3.81Å; Y107-Y169 HydrophobicContact CE1-CG 3.81Å; Y107-Y169 AromaticContact CE2-CD2 3.77Å; Y107-Y169 HydrophobicContact CE2-CD2 3.77Å; Y107-Y169 AromaticContact CE2-CE2 3.21Å; Y107-Y169 HydrophobicContact CE2-CE2 3.21Å; Y107-Y169 HydrophobicContact CG-CD1 4.43Å; Y107-Y169 AromaticContact CG-CD2 3.67Å; Y107-Y169 HydrophobicContact CG-CD2 3.67Å; Y107-Y169 AromaticContact CG-CE1 3.94Å; Y107-Y169 HydrophobicContact CG-CE1 3.94Å; Y107-Y169 AromaticContact CG-CE2 3.09Å; Y107-Y169 HydrophobicContact CG-CE2 3.09Å; Y107-Y169 HydrophobicContact CG-CG 4.35Å; Y107-Y169 AromaticContact CG-CZ 3.29Å; Y107-Y169 AromaticContact CZ-CD2 3.36Å; Y107-Y169 AromaticContact CZ-CE2 3.37Å; Y107-L638 HydrophobicContact CE1-CB 3.43Å; Y107-L638 VanDerWaalsContact CE1-CB 3.43Å; Y107-L638 WeakPolarHBondContact CE1-O 3.32Å; Y107-L638 WeakPolarHBondContact OH-CB 3.41Å; Y107-L638 PolarHBondContact OH-O 3.11Å; Y107-N639 VanDerWaalsContact CE1-N 3.34Å; Y107-R640 HydrophobicContact CD1-CB 4.22Å; Y107-R640 HydrophobicContact CD2-CB 3.75Å; Y107-R640 HydrophobicContact CD2-CG 4.09Å; Y107-R640 HydrophobicContact CE1-CB 4.01Å; Y107-R640 HydrophobicContact CE2-CB 3.5Å; Y107-R640 HydrophobicContact CE2-CG 3.86Å; Y107-R640 WeakPolarHBondContact CE2-O 3.49Å; Y107-R640 HydrophobicContact CG-CB 4.06Å; Y107-R640 PolarHBondContact OH-O 2.87Å; Y107-K641 PolarHBondContact OH-N 3.08Å; Y107-M643 HydrophobicContact CD2-CE 4.09Å; Y107-M643 HydrophobicContact CD2-CG 4.33Å; Y107-M643 HydrophobicContact CD2-SD 3.33Å; Y107-M643 WeakPolarHBondContact CD2-SD 3.27Å; Y107-M643 HydrophobicContact CE2-CG 3.9Å; Y107-M643 HydrophobicContact CE2-SD 3.32Å; Y107-M643 WeakPolarHBondContact CE2-SD 3.18Å; Y107-E676 VanDerWaalsContact C-OE2 3.31Å; Y107-E676 WeakPolarHBondContact CB-OE2 2.83Å; Y107-L748 HydrophobicContact CE2-CD1 3.4Å; Y107-L748 WeakPolarHBondContact OH-CD1 3.26Å |
| 108 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A105 F106 I112 V123 V125 T133 N135 | A105-A108 PolarHBondContact O-N 2.91Å; A105-A108 VanDerWaalsContact O-N 3.14Å; F106-A108 CarbonylContact O-C 3.58Å; F106-A108 PolarHBondContact O-N 3.14Å; F106-A108 VanDerWaalsContact O-N 3.16Å; A108-I112 WeakPolarHBondContact O-CB 3.38Å; A108-I112 WeakPolarHBondContact O-CD1 3.11Å; A108-I112 WeakPolarHBondContact O-CG1 3.02Å; A108-I112 PolarHBondContact O-N 2.82Å; A108-V123 HydrophobicContact CB-CG1 3.93Å; A108-V125 VanDerWaalsContact CA-CG2 3.41Å; A108-V125 HydrophobicContact CB-CG2 3.64Å; A108-V125 VanDerWaalsContact N-CG2 3.32Å; A108-T133 HydrophobicContact CB-CG2 4.39Å; A108-N135 VanDerWaalsContact CB-CA 3.46Å; A108-N135 HydrophobicContact CB-CB 3.58Å |
| 109 | A | 93.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 38 Ų | 38 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.7 | -30.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D104 A105 F106 Y107 I112 R113 | D104-A109 WeakPolarHBondContact O-CB 3.22Å; A105-A109 PolarHBondContact O-N 3.46Å; F106-A109 CarbonylContact O-C 3.57Å; F106-A109 VanDerWaalsContact O-C 3.29Å; F106-A109 WeakPolarHBondContact O-CA 3.03Å; F106-A109 WeakPolarHBondContact O-CB 3.08Å; F106-A109 PolarHBondContact O-N 3.02Å; Y107-A109 VanDerWaalsContact C-N 3.35Å; Y107-A109 PolarHBondContact O-N 3.03Å; A109-I112 CarbonylContact O-C 2.8Å; A109-I112 PolarHBondContact O-N 2.96Å; A109-R113 WeakPolarHBondContact O-CB 3.28Å; A109-R113 PolarHBondContact O-N 3.38Å |
| 110 | V | 95 | Very high | 90.1 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.2 | -39.8 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | F106 Y107 I112 R113 D114 Y169 A172 | F106-V110 HydrophobicContact CB-CG2 4.37Å; F106-V110 HydrophobicContact CD1-CG2 4.11Å; F106-V110 HydrophobicContact CD2-CG2 3.94Å; F106-V110 HydrophobicContact CE1-CG2 4.36Å; F106-V110 HydrophobicContact CE2-CG2 4.18Å; F106-V110 HydrophobicContact CG-CG2 3.91Å; F106-V110 HydrophobicContact CZ-CG2 4.39Å; F106-V110 WeakPolarHBondContact O-CG2 3.5Å; F106-V110 PolarHBondContact O-N 2.98Å; Y107-V110 PolarHBondContact O-N 3.29Å; V110-I112 VanDerWaalsContact C-N 3.29Å; V110-I112 PolarHBondContact O-N 2.86Å; V110-R113 WeakPolarHBondContact O-CB 3.07Å; V110-R113 PolarHBondContact O-N 2.72Å; V110-R113 VanDerWaalsContact O-N 3.15Å; V110-D114 WeakPolarHBondContact O-CB 2.95Å; V110-D114 PolarHBondContact O-N 2.68Å; V110-Y169 HydrophobicContact CB-CD1 3.78Å; V110-Y169 HydrophobicContact CB-CE1 4.13Å; V110-Y169 HydrophobicContact CG1-CD1 3.78Å; V110-Y169 HydrophobicContact CG1-CE1 4.25Å; V110-Y169 HydrophobicContact CG2-CD1 3.98Å; V110-A172 HydrophobicContact CG2-CB 3.96Å |
| 111 | E | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 165.1 | -79.8 | -62.9 | 97.7 | 0 | 0 | 113.6 | Y107 R113 D114 R115 I162 E676 | Y107-E111 PolarHBondContact O-N 2.99Å; E111-R113 PolarHBondContact O-N 3.42Å; E111-D114 PolarHBondContact O-N 2.8Å; E111-R115 CarbonylContact O-C 3.59Å; E111-R115 VanDerWaalsContact O-C 3.23Å; E111-R115 VanDerWaalsContact O-CA 3.23Å; E111-R115 WeakPolarHBondContact O-CA 3.16Å; E111-R115 WeakPolarHBondContact O-CB 3.03Å; E111-R115 PolarHBondContact O-N 2.86Å; E111-R115 IonicContact OE1-NH1 2.66Å; E111-R115 PolarHBondContact OE1-NH1 3.25Å; E111-R115 WeakPolarHBondContact OE2-CD 3.29Å; E111-R115 IonicContact OE2-CZ 2.72Å; E111-R115 IonicContact OE2-NE 2.76Å; E111-R115 IonicContact OE2-NH1 3.8Å; E111-R115 PolarHBondContact OE2-NH1 3.06Å; E111-I162 HydrophobicContact CB-CD1 3.77Å; E111-I162 HydrophobicContact CG-CD1 3.64Å; E111-I162 HydrophobicContact CG-CG2 4.12Å; E111-I162 WeakPolarHBondContact OE2-CG2 3.48Å; E111-E676 VanDerWaalsContact CD-CB 3.43Å; E111-E676 HydrophobicContact CG-CB 3.54Å; E111-E676 HydrophobicContact CG-CG 3.24Å; E111-E676 WeakPolarHBondContact CG-OE2 2.93Å; E111-E676 WeakPolarHBondContact OE1-CA 3.23Å; E111-E676 WeakPolarHBondContact OE1-CB 3.26Å; E111-E676 WeakPolarHBondContact OE1-CG 3.46Å |
| 112 | I | 93.5 | Very high | 90.3 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -79.2 | -7.8 | 178.9 | -72.5 | 169 | 0 | 0 | 0 | 111.8 | A108 A109 V110 L118 R119 N135 | A108-I112 WeakPolarHBondContact O-CB 3.38Å; A108-I112 WeakPolarHBondContact O-CD1 3.11Å; A108-I112 WeakPolarHBondContact O-CG1 3.02Å; A108-I112 PolarHBondContact O-N 2.82Å; A109-I112 CarbonylContact O-C 2.8Å; A109-I112 PolarHBondContact O-N 2.96Å; V110-I112 VanDerWaalsContact C-N 3.29Å; V110-I112 PolarHBondContact O-N 2.86Å; I112-L118 HydrophobicContact CG1-CB 4.44Å; I112-R119 HydrophobicContact CG1-CB 4.42Å; I112-R119 HydrophobicContact CG2-CB 3.66Å; I112-R119 HydrophobicContact CG2-CG 3.62Å; I112-R119 VanDerWaalsContact CG2-NE 3.35Å; I112-R119 PolarHBondContact O-NH2 2.84Å; I112-N135 HydrophobicContact CD1-CB 3.59Å; I112-N135 WeakPolarHBondContact CD1-ND2 3.14Å |
| 113 | R | 92.2 | Very high | 90.6 | Very high | 122 Ų | 122 | 37.1 Ų | 37.1 | 46% | 0.46 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -89.9 | -49.3 | 166.2 | -178.6 | -162.8 | 71.8 | 177.3 | 1.9 | 110.6 | A109 V110 E111 | A109-R113 WeakPolarHBondContact O-CB 3.28Å; A109-R113 PolarHBondContact O-N 3.38Å; V110-R113 WeakPolarHBondContact O-CB 3.07Å; V110-R113 PolarHBondContact O-N 2.72Å; V110-R113 VanDerWaalsContact O-N 3.15Å; E111-R113 PolarHBondContact O-N 3.42Å |
| 114 | D | 91.6 | Very high | 90.9 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -84.6 | -23.3 | -171.7 | -63.9 | -11.5 | 0 | 0 | 0 | 112.9 | V110 E111 | V110-D114 WeakPolarHBondContact O-CB 2.95Å; V110-D114 PolarHBondContact O-N 2.68Å; E111-D114 PolarHBondContact O-N 2.8Å |
| 115 | R | 92.7 | Very high | 91.3 | Very high | 63 Ų | 63 | 32 Ų | 32 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -135.8 | 76.4 | 173.6 | -61.4 | -174.7 | 180 | 80.7 | 1.5 | 110.4 | E111 E117 L118 E675 | E111-R115 CarbonylContact O-C 3.59Å; E111-R115 VanDerWaalsContact O-C 3.23Å; E111-R115 VanDerWaalsContact O-CA 3.23Å; E111-R115 WeakPolarHBondContact O-CA 3.16Å; E111-R115 WeakPolarHBondContact O-CB 3.03Å; E111-R115 PolarHBondContact O-N 2.86Å; E111-R115 IonicContact OE1-NH1 2.66Å; E111-R115 PolarHBondContact OE1-NH1 3.25Å; E111-R115 WeakPolarHBondContact OE2-CD 3.29Å; E111-R115 IonicContact OE2-CZ 2.72Å; E111-R115 IonicContact OE2-NE 2.76Å; E111-R115 IonicContact OE2-NH1 3.8Å; E111-R115 PolarHBondContact OE2-NH1 3.06Å; R115-E117 WeakPolarHBondContact CA-OE2 3.05Å; R115-E117 PolarHBondContact O-N 2.91Å; R115-L118 HydrophobicContact CB-CB 4.47Å; R115-L118 HydrophobicContact CB-CD1 3.56Å; R115-L118 HydrophobicContact CB-CG 3.65Å; R115-L118 HydrophobicContact CG-CD1 4.21Å; R115-L118 VanDerWaalsContact O-CB 3.25Å; R115-L118 WeakPolarHBondContact O-CB 3.28Å; R115-L118 WeakPolarHBondContact O-CG 3.08Å; R115-L118 PolarHBondContact O-N 2.9Å; R115-E675 VanDerWaalsContact CZ-O 3.29Å; R115-E675 VanDerWaalsContact NH1-C 3.31Å; R115-E675 PolarHBondContact NH1-O 2.89Å; R115-E675 PolarHBondContact NH2-O 3.17Å |
| 116 | P | 88.1 | Confident | 91.6 | Very high | 65 Ų | 65 | 32 Ų | 32 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -57.8 | -22.2 | -174.1 | -27.8 | 36.9 | 0 | 0 | 0 | 115.4 | L118 R119 | P116-L118 PolarHBondContact O-N 2.81Å; P116-R119 WeakPolarHBondContact O-CB 3.07Å; P116-R119 PolarHBondContact O-N 3.47Å |
| 117 | E | 88.8 | Confident | 91.4 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 49% | 0.486 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -66.7 | -17.3 | 174.3 | 84.5 | -65.1 | 168.1 | 0 | 0 | 112.9 | R115 R119 H121 | R115-E117 WeakPolarHBondContact CA-OE2 3.05Å; R115-E117 PolarHBondContact O-N 2.91Å; E117-R119 VanDerWaalsContact C-N 3.29Å; E117-H121 PolarHBondContact O-CE1 2.76Å; E117-H121 PolarHBondContact O-ND1 2.74Å |
| 118 | L | 91.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -78.2 | -15.4 | 175.2 | -51.8 | -167.7 | 0 | 0 | 0 | 112.2 | I112 R115 P116 H120 H121 V123 K160 I162 | I112-L118 HydrophobicContact CG1-CB 4.44Å; R115-L118 HydrophobicContact CB-CB 4.47Å; R115-L118 HydrophobicContact CB-CD1 3.56Å; R115-L118 HydrophobicContact CB-CG 3.65Å; R115-L118 HydrophobicContact CG-CD1 4.21Å; R115-L118 VanDerWaalsContact O-CB 3.25Å; R115-L118 WeakPolarHBondContact O-CB 3.28Å; R115-L118 WeakPolarHBondContact O-CG 3.08Å; R115-L118 PolarHBondContact O-N 2.9Å; P116-L118 PolarHBondContact O-N 2.81Å; L118-H120 PolarHBondContact O-N 3.38Å; L118-H120 VanDerWaalsContact O-N 3.13Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.12Å; L118-V123 HydrophobicContact CB-CG2 3.86Å; L118-V123 WeakPolarHBondContact O-CG2 3.09Å; L118-K160 HydrophobicContact CD2-CD 3.45Å; L118-K160 VanDerWaalsContact CD2-CD 3.45Å; L118-I162 HydrophobicContact CB-CD1 4.43Å; L118-I162 HydrophobicContact CD1-CD1 3.35Å; L118-I162 HydrophobicContact CD1-CG1 4.17Å; L118-I162 HydrophobicContact CG-CD1 4.44Å |
| 119 | R | 85.7 | Confident | 90 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 19% | 0.189 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -50.4 | -40 | 178.6 | -170.3 | 166.3 | -66 | 167.9 | -9.1 | 114 | I112 P116 E117 I137 D358 | I112-R119 HydrophobicContact CG1-CB 4.42Å; I112-R119 HydrophobicContact CG2-CB 3.66Å; I112-R119 HydrophobicContact CG2-CG 3.62Å; I112-R119 VanDerWaalsContact CG2-NE 3.35Å; I112-R119 PolarHBondContact O-NH2 2.84Å; P116-R119 WeakPolarHBondContact O-CB 3.07Å; P116-R119 PolarHBondContact O-N 3.47Å; E117-R119 VanDerWaalsContact C-N 3.29Å; R119-I137 WeakPolarHBondContact O-CD1 3.15Å; R119-D358 IonicContact CZ-OD1 2.65Å; R119-D358 IonicContact NH1-OD1 3.43Å; R119-D358 PolarHBondContact NH1-OD1 3.19Å; R119-D358 IonicContact NH2-OD1 3.9Å; R119-D358 PolarHBondContact NH2-OD1 3.27Å; R119-D358 IonicContact NH2-OD2 3.69Å |
| 120 | H | 85.4 | Confident | 89.7 | Confident | 97 Ų | 97 | 31.8 Ų | 31.8 | 45% | 0.449 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -102 | -5.5 | -173 | -52.7 | -70.3 | 0 | 0 | 0 | 113.3 | L118 R338 | L118-H120 PolarHBondContact O-N 3.38Å; L118-H120 VanDerWaalsContact O-N 3.13Å; H120-R338 PolarHBondContact O-NH1 2.74Å; H120-R338 VanDerWaalsContact O-NH1 3.1Å |
| 121 | H | 87.3 | Confident | 89.1 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -87.2 | 148.8 | 173.4 | -70.6 | 90.2 | 0 | 0 | 0 | 110.2 | E117 L118 V123 N135 K160 R335 | E117-H121 PolarHBondContact O-CE1 2.76Å; E117-H121 PolarHBondContact O-ND1 2.74Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.12Å; H121-V123 HydrophobicContact CB-CG2 4.31Å; H121-V123 PolarHBondContact O-N 2.77Å; H121-V123 VanDerWaalsContact O-N 3.12Å; H121-N135 PolarHBondContact O-ND2 3.07Å; H121-K160 HydrophobicContact CB-CD 4.1Å; H121-R335 PolarHBondContact NE2-NH2 2.81Å |
| 122 | P | 87.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | trans | -63.9 | 116 | 160.5 | 24.2 | -26.2 | 0 | 0 | 0 | 108 | I137 A138 F141 C156 Q158 L159 K160 | P122-I137 HydrophobicContact CB-CG2 4.08Å; P122-A138 HydrophobicContact CB-CB 3.97Å; P122-F141 HydrophobicContact CB-CD2 4.16Å; P122-F141 HydrophobicContact CB-CE2 3.6Å; P122-F141 HydrophobicContact CB-CZ 4.22Å; P122-F141 HydrophobicContact CG-CE2 3.94Å; P122-F141 HydrophobicContact CG-CZ 4.06Å; P122-C156 VanDerWaalsContact CG-SG 3.57Å; P122-Q158 HydrophobicContact CG-CG 3.74Å; P122-L159 HydrophobicContact CB-CD1 4.02Å; P122-L159 WeakPolarHBondContact O-CA 3.3Å; P122-K160 PolarHBondContact O-N 3.35Å | ||
| 123 | V | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -115.7 | 106.6 | -179 | 162.3 | 0 | 0 | 0 | 0 | 106.9 | A108 L118 H121 V125 S134 N135 A138 K160 I162 | A108-V123 HydrophobicContact CB-CG1 3.93Å; L118-V123 HydrophobicContact CB-CG2 3.86Å; L118-V123 WeakPolarHBondContact O-CG2 3.09Å; H121-V123 HydrophobicContact CB-CG2 4.31Å; H121-V123 PolarHBondContact O-N 2.77Å; H121-V123 VanDerWaalsContact O-N 3.12Å; V123-V125 HydrophobicContact CG1-CG2 3.54Å; V123-S134 CarbonylContact O-C 3.57Å; V123-S134 WeakPolarHBondContact O-CA 2.22Å; V123-S134 WeakPolarHBondContact O-CB 3.28Å; V123-N135 HydrophobicContact CB-CB 4.3Å; V123-N135 PolarHBondContact N-OD1 3.03Å; V123-N135 PolarHBondContact O-N 3.12Å; V123-N135 PolarHBondContact O-OD1 2.77Å; V123-A138 VanDerWaalsContact C-CB 3.44Å; V123-A138 VanDerWaalsContact O-CB 3.27Å; V123-A138 WeakPolarHBondContact O-CB 3.19Å; V123-K160 WeakPolarHBondContact CA-O 3.44Å; V123-K160 HydrophobicContact CG2-CB 4.45Å; V123-I162 HydrophobicContact CB-CD1 4.11Å; V123-I162 HydrophobicContact CG1-CD1 3.22Å; V123-I162 HydrophobicContact CG1-CG1 3.83Å; V123-I162 HydrophobicContact CG2-CD1 3.82Å; V123-I162 HydrophobicContact CG2-CG1 4.36Å |
| 124 | A | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -108.5 | 80.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | G126 L131 A138 V143 L159 K160 I161 | A124-G126 PolarHBondContact O-N 2.84Å; A124-L131 HydrophobicContact CB-CB 4.18Å; A124-L131 HydrophobicContact CB-CD1 3.59Å; A124-L131 HydrophobicContact CB-CD2 3.7Å; A124-L131 HydrophobicContact CB-CG 4.01Å; A124-L131 WeakPolarHBondContact O-CD2 3.5Å; A124-A138 HydrophobicContact CB-CB 4.16Å; A124-V143 HydrophobicContact CB-CG1 3.76Å; A124-L159 HydrophobicContact CB-CD1 3.57Å; A124-L159 HydrophobicContact CB-CD2 4.01Å; A124-L159 HydrophobicContact CB-CG 4.03Å; A124-L159 VanDerWaalsContact N-CD1 3.31Å; A124-K160 PolarHBondContact N-O 2.91Å; A124-I161 VanDerWaalsContact O-CA 3.23Å; A124-I161 WeakPolarHBondContact O-CA 3.33Å | ||
| 125 | V | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -17.9 | 125.4 | 138.9 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | Y107 A108 V123 I162 R640 M643 E676 | Y107-V125 HydrophobicContact CD2-CG1 3.77Å; Y107-V125 HydrophobicContact CG-CG1 4.07Å; A108-V125 VanDerWaalsContact CA-CG2 3.41Å; A108-V125 HydrophobicContact CB-CG2 3.64Å; A108-V125 VanDerWaalsContact N-CG2 3.32Å; V123-V125 HydrophobicContact CG1-CG2 3.54Å; V125-I162 CarbonylContact C-O 3.56Å; V125-I162 WeakPolarHBondContact CA-O 2.81Å; V125-R640 VanDerWaalsContact C-NH1 3.31Å; V125-R640 PolarHBondContact O-NH1 2.8Å; V125-R640 PolarHBondContact O-NH2 3.38Å; V125-M643 HydrophobicContact CB-CE 4.39Å; V125-M643 HydrophobicContact CG1-CE 3.26Å; V125-M643 HydrophobicContact CG1-SD 4.13Å; V125-E676 WeakPolarHBondContact CA-OE1 3.21Å; V125-E676 WeakPolarHBondContact CB-OE1 3.35Å; V125-E676 VanDerWaalsContact CG1-CD 3.48Å; V125-E676 WeakPolarHBondContact CG1-OE1 3.26Å; V125-E676 WeakPolarHBondContact CG1-OE2 2.91Å; V125-E676 WeakPolarHBondContact CG2-OE1 3.29Å; V125-E676 WeakPolarHBondContact CG2-OE2 3.09Å | ||
| 126 | G | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | 140.4 | -151.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A124 I162 C164 D672 | A124-G126 PolarHBondContact O-N 2.84Å; G126-I162 CarbonylContact C-O 3.54Å; G126-I162 PolarHBondContact N-O 3.12Å; G126-C164 VanDerWaalsContact CA-SG 3.51Å; G126-C164 PolarHBondContact O-N 3.27Å; G126-C164 PolarHBondContact O-SG 2.91Å; G126-D672 WeakPolarHBondContact O-CB 3.34Å |
| 127 | S | 88.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -160.7 | -178.7 | -177.9 | -2.5 | 0 | 0 | 0 | 0 | 105.3 | S129 L131 I161 C164 S644 L669 D672 | S127-S129 PolarHBondContact O-N 2.74Å; S127-L131 WeakPolarHBondContact O-CD2 3.18Å; S127-I161 VanDerWaalsContact CA-CG2 3.5Å; S127-C164 PolarHBondContact OG-SG 3.1Å; S127-S644 CarbonylContact C-O 3.54Å; S127-S644 WeakPolarHBondContact CA-O 3.29Å; S127-S644 WeakPolarHBondContact CB-O 3.2Å; S127-S644 PolarHBondContact N-O 2.97Å; S127-S644 VanDerWaalsContact O-O 3.05Å; S127-S644 VanDerWaalsContact OG-CA 3.28Å; S127-S644 WeakPolarHBondContact OG-CA 3.31Å; S127-S644 PolarHBondContact OG-N 2.97Å; S127-S644 VanDerWaalsContact OG-N 3.07Å; S127-S644 PolarHBondContact OG-O 3.38Å; S127-L669 WeakPolarHBondContact OG-CD1 3.12Å; S127-D672 VanDerWaalsContact CA-OD2 3.24Å; S127-D672 WeakPolarHBondContact CA-OD2 3.44Å; S127-D672 VanDerWaalsContact CB-CB 3.45Å; S127-D672 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 128 | N | 84.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 5.1 | -168.8 | -66.9 | -111.8 | 0 | 0 | 0 | 115.6 | P148 G149 F150 V645 E646 R647 M668 | N128-P148 CarbonylContact O-C 3.54Å; N128-G149 CarbonylContact O-C 3.44Å; N128-G149 WeakPolarHBondContact O-CA 3.25Å; N128-G149 PolarHBondContact O-N 2.74Å; N128-F150 HydrophobicContact CB-CB 4.4Å; N128-F150 PolarHBondContact O-N 2.66Å; N128-V645 HydrophobicContact CB-CG1 3.92Å; N128-V645 VanDerWaalsContact N-CG1 3.28Å; N128-E646 CarbonylContact C-O 3.39Å; N128-E646 VanDerWaalsContact C-O 3.32Å; N128-E646 WeakPolarHBondContact CB-O 3.19Å; N128-E646 CarbonylContact O-C 3.58Å; N128-E646 PolarHBondContact O-N 3.44Å; N128-R647 VanDerWaalsContact CG-NH1 3.3Å; N128-R647 PolarHBondContact OD1-NH1 3.16Å; N128-M668 HydrophobicContact CB-CE 3.83Å; N128-M668 WeakPolarHBondContact ND2-CE 3.49Å |
| 129 | S | 75.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -46.7 | -177.9 | -84.5 | 0 | 0 | 0 | 0 | 113.4 | S127 L147 P148 S644 V645 E646 G742 L743 | S127-S129 PolarHBondContact O-N 2.74Å; S129-L147 CarbonylContact C-O 3.4Å; S129-L147 CarbonylContact O-C 3.57Å; S129-P148 WeakPolarHBondContact O-CA 3.39Å; S129-P148 WeakPolarHBondContact O-CD 3.41Å; S129-S644 WeakPolarHBondContact CA-O 3.37Å; S129-S644 WeakPolarHBondContact CB-O 3.32Å; S129-S644 PolarHBondContact N-O 3.3Å; S129-V645 VanDerWaalsContact CB-N 3.28Å; S129-V645 VanDerWaalsContact N-C 3.31Å; S129-V645 VanDerWaalsContact OG-CA 3.29Å; S129-V645 WeakPolarHBondContact OG-CA 3.45Å; S129-V645 PolarHBondContact OG-N 2.71Å; S129-V645 PolarHBondContact OG-O 3.02Å; S129-E646 VanDerWaalsContact CA-CB 3.41Å; S129-E646 VanDerWaalsContact CA-CG 3.41Å; S129-E646 WeakPolarHBondContact CB-OE2 3.42Å; S129-E646 WeakPolarHBondContact OG-CB 2.24Å; S129-E646 PolarHBondContact OG-N 3.17Å; S129-E646 PolarHBondContact OG-OE2 2.79Å; S129-G742 VanDerWaalsContact OG-CA 3.28Å; S129-G742 WeakPolarHBondContact OG-CA 3.17Å; S129-L743 PolarHBondContact OG-O 3.09Å |
| 130 | M | 86.3 | Confident | 85 | Confident | 38 Ų | 38 | 17.1 Ų | 17.1 | 19% | 0.187 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | 176.4 | 69.4 | -139.3 | 179.7 | 105.9 | 67.4 | 0 | 0 | 101.1 | S132 G146 L147 S644 K686 | M130-S132 PolarHBondContact O-N 2.62Å; M130-S132 PolarHBondContact O-OG 3.02Å; M130-G146 VanDerWaalsContact SD-CA 3.53Å; M130-L147 CarbonylContact C-O 2.85Å; M130-L147 WeakPolarHBondContact CA-O 2.23Å; M130-L147 PolarHBondContact N-O 2.96Å; M130-S644 WeakPolarHBondContact CB-OG 3.35Å; M130-S644 WeakPolarHBondContact CG-OG 3.41Å; M130-S644 PolarHBondContact N-O 3.36Å; M130-S644 PolarHBondContact O-OG 3.24Å; M130-K686 HydrophobicContact CE-CD 3.54Å |
| 131 | L | 82.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -45.3 | 132.4 | 141.6 | -49 | 177.6 | 0 | 0 | 0 | 106.1 | A124 S127 V143 R144 A145 G146 L147 L159 I161 | A124-L131 HydrophobicContact CB-CB 4.18Å; A124-L131 HydrophobicContact CB-CD1 3.59Å; A124-L131 HydrophobicContact CB-CD2 3.7Å; A124-L131 HydrophobicContact CB-CG 4.01Å; A124-L131 WeakPolarHBondContact O-CD2 3.5Å; S127-L131 WeakPolarHBondContact O-CD2 3.18Å; L131-V143 HydrophobicContact CD1-CG1 3.25Å; L131-R144 CarbonylContact C-O 3.54Å; L131-A145 CarbonylContact O-C 3.53Å; L131-A145 WeakPolarHBondContact O-CA 3.42Å; L131-G146 PolarHBondContact O-N 2.92Å; L131-L147 WeakPolarHBondContact CB-O 3.47Å; L131-L147 WeakPolarHBondContact CG-O 3.39Å; L131-L147 PolarHBondContact N-O 2.89Å; L131-L147 PolarHBondContact O-N 3.09Å; L131-L147 VanDerWaalsContact O-N 3.11Å; L131-L159 HydrophobicContact CD1-CD2 3.84Å; L131-I161 HydrophobicContact CD1-CD1 4.44Å; L131-I161 HydrophobicContact CD2-CD1 3.99Å; L131-I161 HydrophobicContact CD2-CG1 4.03Å; L131-I161 HydrophobicContact CD2-CG2 4.15Å |
| 132 | S | 89.3 | Confident | 82.9 | Confident | 16 Ų | 16 | 13.4 Ų | 13.4 | 11% | 0.112 | 7% | 0.07 | C | C | . | . | trans | -136.3 | -13.5 | -164 | 3.5 | 0 | 0 | 0 | 0 | 109.6 | M130 A145 R640 S642 | M130-S132 PolarHBondContact O-N 2.62Å; M130-S132 PolarHBondContact O-OG 3.02Å; S132-A145 VanDerWaalsContact C-CB 3.4Å; S132-A145 VanDerWaalsContact CA-CA 3.46Å; S132-A145 WeakPolarHBondContact O-CB 2.24Å; S132-R640 VanDerWaalsContact O-CG 3.32Å; S132-R640 WeakPolarHBondContact O-CG 3.5Å; S132-R640 PolarHBondContact OG-NE 2.87Å; S132-R640 PolarHBondContact OG-NH2 3.15Å; S132-S642 WeakPolarHBondContact CB-O 3.08Å; S132-S642 PolarHBondContact OG-O 3.27Å | ||
| 133 | T | 89.8 | Confident | 82 | Confident | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | trans | -152.9 | 164.4 | 162.6 | -111.8 | 0 | 0 | 0 | 0 | 105.5 | A105 A108 R139 N639 R640 | A105-T133 HydrophobicContact CB-CG2 4.4Å; A108-T133 HydrophobicContact CB-CG2 4.39Å; T133-R139 PolarHBondContact OG1-NH2 3.46Å; T133-N639 PolarHBondContact OG1-O 2.84Å; T133-R640 VanDerWaalsContact C-NH1 3.3Å; T133-R640 VanDerWaalsContact CA-NH1 3.35Å; T133-R640 HydrophobicContact CG2-CB 4.31Å; T133-R640 PolarHBondContact O-NH1 2.96Å | ||
| 134 | S | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -154.4 | 156.5 | 173.8 | 10.3 | 0 | 0 | 0 | 0 | 105.8 | A105 V123 A138 R139 V143 | A105-S134 WeakPolarHBondContact CB-O 2.99Å; V123-S134 CarbonylContact O-C 3.57Å; V123-S134 WeakPolarHBondContact O-CA 2.22Å; V123-S134 WeakPolarHBondContact O-CB 3.28Å; S134-A138 VanDerWaalsContact CB-CB 3.44Å; S134-R139 WeakPolarHBondContact O-CD 3.2Å; S134-R139 WeakPolarHBondContact O-CG 2.99Å; S134-R139 PolarHBondContact O-NE 3.1Å; S134-R139 WeakPolarHBondContact OG-CG 2.95Å; S134-V143 WeakPolarHBondContact CB-O 2.66Å; S134-V143 PolarHBondContact OG-O 3.06Å | ||
| 135 | N | 91.4 | Very high | 80.5 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | trans | -60.9 | 162.3 | 162 | 69.8 | -6.4 | 0 | 0 | 0 | 107.8 | A108 I112 H121 V123 I137 A138 R139 | A108-N135 VanDerWaalsContact CB-CA 3.46Å; A108-N135 HydrophobicContact CB-CB 3.58Å; I112-N135 HydrophobicContact CD1-CB 3.59Å; I112-N135 WeakPolarHBondContact CD1-ND2 3.14Å; H121-N135 PolarHBondContact O-ND2 3.07Å; V123-N135 HydrophobicContact CB-CB 4.3Å; V123-N135 PolarHBondContact N-OD1 3.03Å; V123-N135 PolarHBondContact O-N 3.12Å; V123-N135 PolarHBondContact O-OD1 2.77Å; N135-I137 PolarHBondContact O-N 2.91Å; N135-I137 PolarHBondContact OD1-N 3.28Å; N135-A138 PolarHBondContact O-N 2.8Å; N135-A138 PolarHBondContact OD1-N 3.05Å; N135-R139 WeakPolarHBondContact O-CG 3.4Å; N135-R139 PolarHBondContact O-N 2.87Å | ||
| 136 | Y | 80.9 | Confident | 79.5 | Confident | 56 Ų | 56 | 25.9 Ų | 25.9 | 22% | 0.22 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.1 | -44.9 | 178.2 | -75.6 | -75.6 | 0 | 0 | 0 | 110.9 | D104 A105 A138 R139 R140 W602 | D104-Y136 HydrophobicContact CB-CE2 4.28Å; D104-Y136 WeakPolarHBondContact OD1-CE2 3.35Å; D104-Y136 PolarHBondContact OD1-OH 2.96Å; A105-Y136 HydrophobicContact CB-CE2 4.1Å; Y136-A138 CarbonylContact O-C 3.58Å; Y136-A138 PolarHBondContact O-N 3.35Å; Y136-R139 PolarHBondContact O-N 3.46Å; Y136-R139 PolarHBondContact OH-NH1 2.22Å; Y136-R140 VanDerWaalsContact O-CB 3.32Å; Y136-R140 WeakPolarHBondContact O-CB 2.8Å; Y136-R140 WeakPolarHBondContact O-CD 3.11Å; Y136-R140 VanDerWaalsContact O-CG 3.24Å; Y136-R140 WeakPolarHBondContact O-CG 2.94Å; Y136-R140 PolarHBondContact O-N 2.92Å; Y136-W602 HydrophobicContact CE2-CB 4.42Å |
| 137 | I | 79.7 | Confident | 78.5 | Confident | 19 Ų | 19 | 27.2 Ų | 27.2 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.4 | -31.7 | 176.4 | -47.9 | -171.1 | 0 | 0 | 0 | 113.3 | R119 P122 N135 F141 R338 A364 V365 | R119-I137 WeakPolarHBondContact O-CD1 3.15Å; P122-I137 HydrophobicContact CB-CG2 4.08Å; N135-I137 PolarHBondContact O-N 2.91Å; N135-I137 PolarHBondContact OD1-N 3.28Å; I137-F141 WeakPolarHBondContact O-CD2 3.18Å; I137-F141 WeakPolarHBondContact O-CE2 3.15Å; I137-R338 VanDerWaalsContact CG2-NH1 3.33Å; I137-A364 WeakPolarHBondContact CA-O 3.49Å; I137-V365 CarbonylContact C-O 3.51Å |
| 138 | A | 76.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -87.9 | -46.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P122 V123 A124 S134 N135 Y136 R140 F141 V143 L159 | P122-A138 HydrophobicContact CB-CB 3.97Å; V123-A138 VanDerWaalsContact C-CB 3.44Å; V123-A138 VanDerWaalsContact O-CB 3.27Å; V123-A138 WeakPolarHBondContact O-CB 3.19Å; A124-A138 HydrophobicContact CB-CB 4.16Å; S134-A138 VanDerWaalsContact CB-CB 3.44Å; N135-A138 PolarHBondContact O-N 2.8Å; N135-A138 PolarHBondContact OD1-N 3.05Å; Y136-A138 CarbonylContact O-C 3.58Å; Y136-A138 PolarHBondContact O-N 3.35Å; A138-R140 PolarHBondContact O-N 3.06Å; A138-F141 PolarHBondContact O-N 3.43Å; A138-V143 CarbonylContact C-O 3.56Å; A138-V143 HydrophobicContact CB-CB 4.49Å; A138-V143 HydrophobicContact CB-CG1 4.41Å; A138-V143 VanDerWaalsContact O-CB 3.3Å; A138-V143 WeakPolarHBondContact O-CB 3.24Å; A138-V143 PolarHBondContact O-N 3.48Å; A138-L159 HydrophobicContact CB-CD1 3.46Å; A138-L159 VanDerWaalsContact CB-CD1 3.46Å |
| 139 | R | 78.2 | Confident | 77.5 | Confident | 49 Ų | 49 | 28 Ų | 28 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -44 | -28.4 | -178.7 | -74.8 | 178.4 | 174.8 | -153.4 | -13.2 | 113.8 | A105 T133 S134 N135 Y136 V143 R144 | A105-R139 VanDerWaalsContact CB-CZ 3.43Å; A105-R139 VanDerWaalsContact CB-NH2 3.35Å; T133-R139 PolarHBondContact OG1-NH2 3.46Å; S134-R139 WeakPolarHBondContact O-CD 3.2Å; S134-R139 WeakPolarHBondContact O-CG 2.99Å; S134-R139 PolarHBondContact O-NE 3.1Å; S134-R139 WeakPolarHBondContact OG-CG 2.95Å; N135-R139 WeakPolarHBondContact O-CG 3.4Å; N135-R139 PolarHBondContact O-N 2.87Å; Y136-R139 PolarHBondContact O-N 3.46Å; Y136-R139 PolarHBondContact OH-NH1 2.22Å; R139-V143 VanDerWaalsContact CA-O 3.23Å; R139-V143 WeakPolarHBondContact CA-O 2.95Å; R139-V143 PolarHBondContact N-O 2.94Å; R139-R144 WeakPolarHBondContact O-CG 3.09Å; R139-R144 PolarHBondContact O-NE 3.38Å |
| 140 | R | 61.5 | Low | 77.8 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -18.7 | -167.4 | -76.2 | 152.6 | 114.1 | -160 | 5.5 | 114.6 | Y136 A138 G142 S363 A364 V365 | Y136-R140 VanDerWaalsContact O-CB 3.32Å; Y136-R140 WeakPolarHBondContact O-CB 2.8Å; Y136-R140 WeakPolarHBondContact O-CD 3.11Å; Y136-R140 VanDerWaalsContact O-CG 3.24Å; Y136-R140 WeakPolarHBondContact O-CG 2.94Å; Y136-R140 PolarHBondContact O-N 2.92Å; A138-R140 PolarHBondContact O-N 3.06Å; R140-G142 PolarHBondContact O-N 2.8Å; R140-S363 PolarHBondContact NH1-O 2.58Å; R140-S363 PolarHBondContact NH1-OG 3.21Å; R140-S363 VanDerWaalsContact NH2-CB 3.32Å; R140-S363 PolarHBondContact NH2-O 2.56Å; R140-S363 PolarHBondContact NH2-OG 2.87Å; R140-S363 VanDerWaalsContact NH2-OG 3.13Å; R140-A364 PolarHBondContact NH1-O 2.19Å; R140-V365 VanDerWaalsContact CB-CA 3.49Å; R140-V365 HydrophobicContact CB-CB 3.9Å; R140-V365 HydrophobicContact CB-CG1 3.4Å; R140-V365 WeakPolarHBondContact CB-O 3.12Å; R140-V365 HydrophobicContact CG-CB 4.2Å; R140-V365 HydrophobicContact CG-CG1 3.7Å; R140-V365 VanDerWaalsContact CZ-CG2 3.45Å |
| 141 | F | 61.4 | Low | 76.8 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 9.8 | 158.9 | -71.6 | -102.5 | 0 | 0 | 0 | 113.4 | P122 I137 A138 V143 C156 S366 L367 | P122-F141 HydrophobicContact CB-CD2 4.16Å; P122-F141 HydrophobicContact CB-CE2 3.6Å; P122-F141 HydrophobicContact CB-CZ 4.22Å; P122-F141 HydrophobicContact CG-CE2 3.94Å; P122-F141 HydrophobicContact CG-CZ 4.06Å; I137-F141 WeakPolarHBondContact O-CD2 3.18Å; I137-F141 WeakPolarHBondContact O-CE2 3.15Å; A138-F141 PolarHBondContact O-N 3.43Å; F141-V143 HydrophobicContact CB-CB 4.18Å; F141-V143 HydrophobicContact CB-CG2 3.56Å; F141-V143 PolarHBondContact O-N 2.94Å; F141-C156 HydrophobicContact CB-CB 4.05Å; F141-C156 HydrophobicContact CD1-CB 3.35Å; F141-C156 VanDerWaalsContact CD1-SG 3.59Å; F141-C156 HydrophobicContact CD2-CB 4.32Å; F141-C156 HydrophobicContact CE1-CB 3.6Å; F141-C156 WeakPolarHBondContact CE1-SG 3.09Å; F141-C156 HydrophobicContact CG-CB 3.7Å; F141-C156 HydrophobicContact CZ-CB 4.25Å; F141-C156 WeakPolarHBondContact CZ-SG 3.32Å; F141-S366 VanDerWaalsContact CE2-C 3.42Å; F141-S366 VanDerWaalsContact CZ-C 3.47Å; F141-L367 HydrophobicContact CD1-CB 4.33Å; F141-L367 HydrophobicContact CE1-CB 3.38Å; F141-L367 HydrophobicContact CE1-CD1 3.89Å; F141-L367 HydrophobicContact CE1-CG 3.37Å; F141-L367 HydrophobicContact CZ-CB 3.72Å; F141-L367 HydrophobicContact CZ-CD1 4.48Å; F141-L367 HydrophobicContact CZ-CD2 4.49Å; F141-L367 HydrophobicContact CZ-CG 3.55Å |
| 142 | G | 68 | Low | 76.2 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 37% | 0.371 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 1 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R140 R144 | R140-G142 PolarHBondContact O-N 2.8Å; G142-R144 PolarHBondContact O-N 2.74Å |
| 143 | V | 68.3 | Low | 76 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -78 | 75 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | A124 L131 S134 A138 R139 F141 L147 L155 C156 L159 | A124-V143 HydrophobicContact CB-CG1 3.76Å; L131-V143 HydrophobicContact CD1-CG1 3.25Å; S134-V143 WeakPolarHBondContact CB-O 2.66Å; S134-V143 PolarHBondContact OG-O 3.06Å; A138-V143 CarbonylContact C-O 3.56Å; A138-V143 HydrophobicContact CB-CB 4.49Å; A138-V143 HydrophobicContact CB-CG1 4.41Å; A138-V143 VanDerWaalsContact O-CB 3.3Å; A138-V143 WeakPolarHBondContact O-CB 3.24Å; A138-V143 PolarHBondContact O-N 3.48Å; R139-V143 VanDerWaalsContact CA-O 3.23Å; R139-V143 WeakPolarHBondContact CA-O 2.95Å; R139-V143 PolarHBondContact N-O 2.94Å; F141-V143 HydrophobicContact CB-CB 4.18Å; F141-V143 HydrophobicContact CB-CG2 3.56Å; F141-V143 PolarHBondContact O-N 2.94Å; V143-L147 HydrophobicContact CB-CD2 4.42Å; V143-L147 HydrophobicContact CG1-CD2 4.47Å; V143-L147 HydrophobicContact CG2-CD2 4.39Å; V143-L155 HydrophobicContact CG2-CB 3.93Å; V143-L155 HydrophobicContact CG2-CD1 4.28Å; V143-C156 HydrophobicContact CG2-CB 4Å; V143-L159 HydrophobicContact CG1-CD1 3.78Å; V143-L159 HydrophobicContact CG1-CD2 3.42Å; V143-L159 VanDerWaalsContact CG1-CD2 3.42Å; V143-L159 HydrophobicContact CG1-CG 4.23Å; V143-L159 HydrophobicContact CG2-CD2 4.47Å | ||
| 144 | R | 74.8 | Confident | 75.3 | Confident | 155 Ų | 155 | 36.6 Ų | 36.6 | 59% | 0.585 | 19% | 0.193 | S | C | * | . | trans | -105 | 176.6 | -170 | -70 | -173.9 | 177.3 | -158.8 | 0.8 | 113 | L131 R139 G142 L147 | L131-R144 CarbonylContact C-O 3.54Å; R139-R144 WeakPolarHBondContact O-CG 3.09Å; R139-R144 PolarHBondContact O-NE 3.38Å; G142-R144 PolarHBondContact O-N 2.74Å; R144-L147 VanDerWaalsContact O-CB 3.32Å; R144-L147 WeakPolarHBondContact O-CB 3.49Å; R144-L147 PolarHBondContact O-N 3.31Å | ||
| 145 | A | 81.2 | Confident | 74.1 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 51% | 0.512 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 137.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L131 S132 | L131-A145 CarbonylContact O-C 3.53Å; L131-A145 WeakPolarHBondContact O-CA 3.42Å; S132-A145 VanDerWaalsContact C-CB 3.4Å; S132-A145 VanDerWaalsContact CA-CA 3.46Å; S132-A145 WeakPolarHBondContact O-CB 2.24Å |
| 146 | G | 74.2 | Confident | 73.4 | Confident | 46 Ų | 46 | 38.7 Ų | 38.7 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -5.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M130 L131 | M130-G146 VanDerWaalsContact SD-CA 3.53Å; L131-G146 PolarHBondContact O-N 2.92Å |
| 147 | L | 69.3 | Low | 73.5 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -97.7 | 127.5 | -167 | -168.3 | 76.8 | 0 | 0 | 0 | 113.7 | S129 M130 L131 V143 R144 G149 L151 L155 | S129-L147 CarbonylContact C-O 3.4Å; S129-L147 CarbonylContact O-C 3.57Å; M130-L147 CarbonylContact C-O 2.85Å; M130-L147 WeakPolarHBondContact CA-O 2.23Å; M130-L147 PolarHBondContact N-O 2.96Å; L131-L147 WeakPolarHBondContact CB-O 3.47Å; L131-L147 WeakPolarHBondContact CG-O 3.39Å; L131-L147 PolarHBondContact N-O 2.89Å; L131-L147 PolarHBondContact O-N 3.09Å; L131-L147 VanDerWaalsContact O-N 3.11Å; V143-L147 HydrophobicContact CB-CD2 4.42Å; V143-L147 HydrophobicContact CG1-CD2 4.47Å; V143-L147 HydrophobicContact CG2-CD2 4.39Å; R144-L147 VanDerWaalsContact O-CB 3.32Å; R144-L147 WeakPolarHBondContact O-CB 3.49Å; R144-L147 PolarHBondContact O-N 3.31Å; L147-G149 PolarHBondContact O-N 3.22Å; L147-L151 HydrophobicContact CD1-CD2 3.98Å; L147-L151 HydrophobicContact CD1-CG 4.38Å; L147-L155 HydrophobicContact CD2-CD1 3.78Å |
| 148 | P | 77.1 | Confident | 73.9 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | trans | -34.3 | 105.4 | 153.1 | 4.9 | -23.9 | 0 | 0 | 0 | 112.8 | N128 S129 F150 L151 G152 E646 | N128-P148 CarbonylContact O-C 3.54Å; S129-P148 WeakPolarHBondContact O-CA 3.39Å; S129-P148 WeakPolarHBondContact O-CD 3.41Å; P148-F150 HydrophobicContact CB-CD1 3.53Å; P148-F150 HydrophobicContact CB-CE1 3.23Å; P148-F150 HydrophobicContact CB-CG 4.35Å; P148-F150 HydrophobicContact CB-CZ 3.82Å; P148-F150 HydrophobicContact CG-CE1 4.19Å; P148-F150 HydrophobicContact CG-CZ 4.43Å; P148-F150 PolarHBondContact O-N 3.28Å; P148-L151 HydrophobicContact CB-CB 3.76Å; P148-L151 HydrophobicContact CG-CB 3.87Å; P148-L151 HydrophobicContact CG-CD2 4.07Å; P148-L151 CarbonylContact O-C 3.27Å; P148-L151 VanDerWaalsContact O-CA 3.26Å; P148-L151 WeakPolarHBondContact O-CA 3.17Å; P148-L151 VanDerWaalsContact O-CB 3.27Å; P148-L151 WeakPolarHBondContact O-CB 3.28Å; P148-L151 PolarHBondContact O-N 3.46Å; P148-G152 PolarHBondContact O-N 2.21Å; P148-E646 HydrophobicContact CB-CG 4.19Å; P148-E646 WeakPolarHBondContact CB-OE1 3.1Å | ||
| 149 | G | 75.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -17.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N128 L147 L151 G152 K153 I161 | N128-G149 CarbonylContact O-C 3.44Å; N128-G149 WeakPolarHBondContact O-CA 3.25Å; N128-G149 PolarHBondContact O-N 2.74Å; L147-G149 PolarHBondContact O-N 3.22Å; G149-L151 VanDerWaalsContact C-N 3.32Å; G149-G152 PolarHBondContact O-N 2.22Å; G149-K153 WeakPolarHBondContact O-CB 3.42Å; G149-K153 WeakPolarHBondContact O-CG 3.3Å; G149-K153 PolarHBondContact O-N 3.45Å; G149-I161 VanDerWaalsContact O-CD1 3.27Å; G149-I161 WeakPolarHBondContact O-CD1 3.14Å |
| 150 | F | 81 | Confident | 75.3 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 163 | 82.9 | -97.5 | 0 | 0 | 0 | 111.7 | N128 P148 K154 E646 T648 L740 | N128-F150 HydrophobicContact CB-CB 4.4Å; N128-F150 PolarHBondContact O-N 2.66Å; P148-F150 HydrophobicContact CB-CD1 3.53Å; P148-F150 HydrophobicContact CB-CE1 3.23Å; P148-F150 HydrophobicContact CB-CG 4.35Å; P148-F150 HydrophobicContact CB-CZ 3.82Å; P148-F150 HydrophobicContact CG-CE1 4.19Å; P148-F150 HydrophobicContact CG-CZ 4.43Å; P148-F150 PolarHBondContact O-N 3.28Å; F150-K154 PolarHBondContact O-N 3.16Å; F150-E646 HydrophobicContact CD1-CG 3.77Å; F150-E646 HydrophobicContact CE1-CG 3.67Å; F150-T648 VanDerWaalsContact CZ-CB 3.46Å; F150-T648 WeakPolarHBondContact CZ-OG1 3.37Å; F150-L740 HydrophobicContact CE1-CD1 4.11Å; F150-L740 HydrophobicContact CZ-CD1 4.41Å |
| 151 | L | 65 | Low | 76.9 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -77.4 | -32.1 | 172.7 | -176.9 | 59.3 | 0 | 0 | 0 | 110.5 | L147 P148 G149 K153 K154 L155 | L147-L151 HydrophobicContact CD1-CD2 3.98Å; L147-L151 HydrophobicContact CD1-CG 4.38Å; P148-L151 HydrophobicContact CB-CB 3.76Å; P148-L151 HydrophobicContact CG-CB 3.87Å; P148-L151 HydrophobicContact CG-CD2 4.07Å; P148-L151 CarbonylContact O-C 3.27Å; P148-L151 VanDerWaalsContact O-CA 3.26Å; P148-L151 WeakPolarHBondContact O-CA 3.17Å; P148-L151 VanDerWaalsContact O-CB 3.27Å; P148-L151 WeakPolarHBondContact O-CB 3.28Å; P148-L151 PolarHBondContact O-N 3.46Å; G149-L151 VanDerWaalsContact C-N 3.32Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K154 HydrophobicContact CD1-CB 4.18Å; L151-K154 CarbonylContact O-C 3.3Å; L151-K154 WeakPolarHBondContact O-CA 3.08Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-L155 WeakPolarHBondContact O-CG 3.25Å; L151-L155 PolarHBondContact O-N 3.38Å |
| 152 | G | 70.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -47.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P148 G149 K154 L155 C156 | P148-G152 PolarHBondContact O-N 2.21Å; G149-G152 PolarHBondContact O-N 2.22Å; G152-K154 PolarHBondContact O-N 2.87Å; G152-L155 CarbonylContact O-C 3.55Å; G152-L155 PolarHBondContact O-N 2.83Å; G152-L155 VanDerWaalsContact O-N 3.15Å; G152-C156 CarbonylContact C-O 3.34Å; G152-C156 CarbonylContact O-C 2.8Å; G152-C156 VanDerWaalsContact O-C 3.32Å; G152-C156 WeakPolarHBondContact O-CA 3.04Å; G152-C156 PolarHBondContact O-N 2.81Å |
| 153 | K | 84.6 | Confident | 79.7 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 34% | 0.335 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.2 | -33.8 | 168 | -71.8 | -161.4 | 172.9 | -174.9 | 0 | 113.4 | G149 L151 C156 P157 L159 I161 | G149-K153 WeakPolarHBondContact O-CB 3.42Å; G149-K153 WeakPolarHBondContact O-CG 3.3Å; G149-K153 PolarHBondContact O-N 3.45Å; L151-K153 VanDerWaalsContact C-N 3.31Å; K153-C156 WeakPolarHBondContact CA-O 3.49Å; K153-C156 CarbonylContact O-C 2.83Å; K153-C156 VanDerWaalsContact O-C 3.22Å; K153-C156 PolarHBondContact O-N 2.82Å; K153-P157 HydrophobicContact CB-CB 3.93Å; K153-P157 HydrophobicContact CG-CB 4.29Å; K153-P157 WeakPolarHBondContact O-CA 3.38Å; K153-P157 WeakPolarHBondContact O-CB 3.36Å; K153-P157 WeakPolarHBondContact O-CD 3.45Å; K153-P157 WeakPolarHBondContact O-CG 2.73Å; K153-L159 WeakPolarHBondContact CE-O 3.24Å; K153-L159 HydrophobicContact CG-CD2 4.45Å; K153-I161 HydrophobicContact CD-CD1 4.08Å; K153-I161 HydrophobicContact CD-CG1 4.47Å; K153-I161 HydrophobicContact CG-CD1 3.76Å; K153-I161 HydrophobicContact CG-CG1 4.22Å |
| 154 | K | 75 | Confident | 80.7 | Confident | 84 Ų | 84 | 37.1 Ų | 37.1 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.2 | -25.5 | 171 | -73.1 | -176.8 | 174.1 | -173.9 | 0 | 114.9 | F150 L151 G152 S290 S293 | F150-K154 PolarHBondContact O-N 3.16Å; L151-K154 HydrophobicContact CD1-CB 4.18Å; L151-K154 CarbonylContact O-C 3.3Å; L151-K154 WeakPolarHBondContact O-CA 3.08Å; L151-K154 PolarHBondContact O-N 3.05Å; G152-K154 PolarHBondContact O-N 2.87Å; K154-S290 PolarHBondContact NZ-OG 2.85Å; K154-S290 VanDerWaalsContact NZ-OG 3.14Å; K154-S293 PolarHBondContact O-OG 3.04Å |
| 155 | L | 60.9 | Low | 81.5 | Confident | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.277 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -81.8 | -30.7 | 171.1 | -64.3 | 174 | 0 | 0 | 0 | 111.5 | V143 L147 L151 G152 Y268 F327 | V143-L155 HydrophobicContact CG2-CB 3.93Å; V143-L155 HydrophobicContact CG2-CD1 4.28Å; L147-L155 HydrophobicContact CD2-CD1 3.78Å; L151-L155 WeakPolarHBondContact O-CG 3.25Å; L151-L155 PolarHBondContact O-N 3.38Å; G152-L155 CarbonylContact O-C 3.55Å; G152-L155 PolarHBondContact O-N 2.83Å; G152-L155 VanDerWaalsContact O-N 3.15Å; L155-Y268 PolarHBondContact O-OH 2.76Å; L155-F327 WeakPolarHBondContact O-CE1 3.38Å |
| 156 | C | 77.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -168.5 | 99.1 | -171.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | P122 F141 V143 G152 K153 Q158 L159 | P122-C156 VanDerWaalsContact CG-SG 3.57Å; F141-C156 HydrophobicContact CB-CB 4.05Å; F141-C156 HydrophobicContact CD1-CB 3.35Å; F141-C156 VanDerWaalsContact CD1-SG 3.59Å; F141-C156 HydrophobicContact CD2-CB 4.32Å; F141-C156 HydrophobicContact CE1-CB 3.6Å; F141-C156 WeakPolarHBondContact CE1-SG 3.09Å; F141-C156 HydrophobicContact CG-CB 3.7Å; F141-C156 HydrophobicContact CZ-CB 4.25Å; F141-C156 WeakPolarHBondContact CZ-SG 3.32Å; V143-C156 HydrophobicContact CG2-CB 4Å; G152-C156 CarbonylContact C-O 3.34Å; G152-C156 CarbonylContact O-C 2.8Å; G152-C156 VanDerWaalsContact O-C 3.32Å; G152-C156 WeakPolarHBondContact O-CA 3.04Å; G152-C156 PolarHBondContact O-N 2.81Å; K153-C156 WeakPolarHBondContact CA-O 3.49Å; K153-C156 CarbonylContact O-C 2.83Å; K153-C156 VanDerWaalsContact O-C 3.22Å; K153-C156 PolarHBondContact O-N 2.82Å; C156-Q158 WeakPolarHBondContact SG-CG 3.37Å; C156-L159 HydrophobicContact CB-CB 4.22Å; C156-L159 WeakPolarHBondContact O-CB 3.26Å; C156-L159 PolarHBondContact O-N 2.79Å; C156-L159 PolarHBondContact SG-N 3Å | ||
| 157 | P | 83.7 | Confident | 82.6 | Confident | 53 Ų | 53 | 24.9 Ų | 24.9 | 34% | 0.344 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -99.4 | -6.5 | 174.7 | 26.6 | -13.8 | 0 | 0 | 0 | 113.3 | K153 L159 F327 | K153-P157 HydrophobicContact CB-CB 3.93Å; K153-P157 HydrophobicContact CG-CB 4.29Å; K153-P157 WeakPolarHBondContact O-CA 3.38Å; K153-P157 WeakPolarHBondContact O-CB 3.36Å; K153-P157 WeakPolarHBondContact O-CD 3.45Å; K153-P157 WeakPolarHBondContact O-CG 2.73Å; P157-L159 PolarHBondContact O-N 2.96Å; P157-F327 VanDerWaalsContact CD-CB 3.48Å; P157-F327 VanDerWaalsContact CD-CE1 3.43Å; P157-F327 VanDerWaalsContact CD-CZ 3.47Å; P157-F327 HydrophobicContact CG-CB 3.68Å; P157-F327 HydrophobicContact CG-CD1 4.16Å; P157-F327 HydrophobicContact CG-CD2 3.1Å; P157-F327 HydrophobicContact CG-CE1 4.5Å; P157-F327 HydrophobicContact CG-CE2 3.48Å; P157-F327 VanDerWaalsContact CG-CE2 3.48Å; P157-F327 HydrophobicContact CG-CG 3.45Å; P157-F327 VanDerWaalsContact CG-CG 3.45Å; P157-F327 HydrophobicContact CG-CZ 4.2Å |
| 158 | Q | 87.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 25 Ų | 25 | 11% | 0.112 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -65.8 | -9.2 | 152.1 | 69.6 | 175.6 | 70.5 | 0 | 0 | 112.4 | P122 C156 K160 T331 | P122-Q158 HydrophobicContact CG-CG 3.74Å; C156-Q158 WeakPolarHBondContact SG-CG 3.37Å; Q158-K160 PolarHBondContact O-N 3.26Å; Q158-T331 HydrophobicContact CB-CG2 4.41Å; Q158-T331 WeakPolarHBondContact CB-OG1 3.1Å; Q158-T331 VanDerWaalsContact CD-OG1 3.24Å; Q158-T331 PolarHBondContact OE1-OG1 2.62Å |
| 159 | L | 92.1 | Very high | 84.2 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -55.2 | 109.7 | 164 | -174.2 | 71 | 0 | 0 | 0 | 108.2 | P122 A124 L131 A138 V143 K153 C156 P157 I161 | P122-L159 HydrophobicContact CB-CD1 4.02Å; P122-L159 WeakPolarHBondContact O-CA 3.3Å; A124-L159 HydrophobicContact CB-CD1 3.57Å; A124-L159 HydrophobicContact CB-CD2 4.01Å; A124-L159 HydrophobicContact CB-CG 4.03Å; A124-L159 VanDerWaalsContact N-CD1 3.31Å; L131-L159 HydrophobicContact CD1-CD2 3.84Å; A138-L159 HydrophobicContact CB-CD1 3.46Å; A138-L159 VanDerWaalsContact CB-CD1 3.46Å; V143-L159 HydrophobicContact CG1-CD1 3.78Å; V143-L159 HydrophobicContact CG1-CD2 3.42Å; V143-L159 VanDerWaalsContact CG1-CD2 3.42Å; V143-L159 HydrophobicContact CG1-CG 4.23Å; V143-L159 HydrophobicContact CG2-CD2 4.47Å; K153-L159 WeakPolarHBondContact CE-O 3.24Å; K153-L159 HydrophobicContact CG-CD2 4.45Å; C156-L159 HydrophobicContact CB-CB 4.22Å; C156-L159 WeakPolarHBondContact O-CB 3.26Å; C156-L159 PolarHBondContact O-N 2.79Å; C156-L159 PolarHBondContact SG-N 3Å; P157-L159 PolarHBondContact O-N 2.96Å; L159-I161 HydrophobicContact CD2-CD1 4.02Å; L159-I161 HydrophobicContact CD2-CG1 3.5Å; L159-I161 HydrophobicContact CG-CG1 3.84Å; L159-I161 PolarHBondContact O-N 2.78Å |
| 160 | K | 92.6 | Very high | 84.7 | Confident | 78 Ų | 78 | 24.1 Ų | 24.1 | 34% | 0.339 | 12% | 0.116 | S | C | . | . | B | Isolated β-bridge | trans | -63.8 | 96.2 | 153.2 | -65.1 | -175.1 | 174.3 | -167.8 | 0 | 104.4 | L118 H121 P122 V123 A124 Q158 I162 | L118-K160 HydrophobicContact CD2-CD 3.45Å; L118-K160 VanDerWaalsContact CD2-CD 3.45Å; H121-K160 HydrophobicContact CB-CD 4.1Å; P122-K160 PolarHBondContact O-N 3.35Å; V123-K160 WeakPolarHBondContact CA-O 3.44Å; V123-K160 HydrophobicContact CG2-CB 4.45Å; A124-K160 PolarHBondContact N-O 2.91Å; Q158-K160 PolarHBondContact O-N 3.26Å; K160-I162 HydrophobicContact CB-CG1 4.1Å; K160-I162 PolarHBondContact O-N 3.45Å |
| 161 | I | 95.5 | Very high | 84.9 | Confident | 13 Ų | 13 | 23.9 Ų | 23.9 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | trans | -69.8 | 94.7 | 153.9 | -67.1 | -174.6 | 0 | 0 | 0 | 102.2 | A124 S127 L131 G149 K153 L159 | A124-I161 VanDerWaalsContact O-CA 3.23Å; A124-I161 WeakPolarHBondContact O-CA 3.33Å; S127-I161 VanDerWaalsContact CA-CG2 3.5Å; L131-I161 HydrophobicContact CD1-CD1 4.44Å; L131-I161 HydrophobicContact CD2-CD1 3.99Å; L131-I161 HydrophobicContact CD2-CG1 4.03Å; L131-I161 HydrophobicContact CD2-CG2 4.15Å; G149-I161 VanDerWaalsContact O-CD1 3.27Å; G149-I161 WeakPolarHBondContact O-CD1 3.14Å; K153-I161 HydrophobicContact CD-CD1 4.08Å; K153-I161 HydrophobicContact CD-CG1 4.47Å; K153-I161 HydrophobicContact CG-CD1 3.76Å; K153-I161 HydrophobicContact CG-CG1 4.22Å; L159-I161 HydrophobicContact CD2-CD1 4.02Å; L159-I161 HydrophobicContact CD2-CG1 3.5Å; L159-I161 HydrophobicContact CG-CG1 3.84Å; L159-I161 PolarHBondContact O-N 2.78Å | ||
| 162 | I | 94.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | trans | -74.7 | 131.2 | 170.6 | -53.6 | 178.2 | 0 | 0 | 0 | 104.2 | E111 L118 V123 V125 G126 K160 C164 E675 E676 | E111-I162 HydrophobicContact CB-CD1 3.77Å; E111-I162 HydrophobicContact CG-CD1 3.64Å; E111-I162 HydrophobicContact CG-CG2 4.12Å; E111-I162 WeakPolarHBondContact OE2-CG2 3.48Å; L118-I162 HydrophobicContact CB-CD1 4.43Å; L118-I162 HydrophobicContact CD1-CD1 3.35Å; L118-I162 HydrophobicContact CD1-CG1 4.17Å; L118-I162 HydrophobicContact CG-CD1 4.44Å; V123-I162 HydrophobicContact CB-CD1 4.11Å; V123-I162 HydrophobicContact CG1-CD1 3.22Å; V123-I162 HydrophobicContact CG1-CG1 3.83Å; V123-I162 HydrophobicContact CG2-CD1 3.82Å; V123-I162 HydrophobicContact CG2-CG1 4.36Å; V125-I162 CarbonylContact C-O 3.56Å; V125-I162 WeakPolarHBondContact CA-O 2.81Å; G126-I162 CarbonylContact C-O 3.54Å; G126-I162 PolarHBondContact N-O 3.12Å; K160-I162 HydrophobicContact CB-CG1 4.1Å; K160-I162 PolarHBondContact O-N 3.45Å; I162-C164 PolarHBondContact O-N 2.76Å; I162-C164 VanDerWaalsContact O-N 3.11Å; I162-E675 HydrophobicContact CG2-CB 3.74Å; I162-E676 WeakPolarHBondContact CB-OE1 3.48Å; I162-E676 HydrophobicContact CG2-CG 3.73Å; I162-E676 VanDerWaalsContact CG2-OE1 3.3Å; I162-E676 WeakPolarHBondContact CG2-OE1 3.37Å | ||
| 163 | P | 92.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -36.5 | 117.2 | 157.3 | -38.1 | 41.5 | 0 | 0 | 0 | 114.2 | D165 T671 D672 E675 E676 | P163-D165 PolarHBondContact O-N 3.11Å; P163-D165 VanDerWaalsContact O-N 3.09Å; P163-T671 WeakPolarHBondContact CB-O 3.5Å; P163-T671 HydrophobicContact CG-CG2 4.38Å; P163-T671 WeakPolarHBondContact CG-O 3.42Å; P163-D672 HydrophobicContact CB-CB 4.32Å; P163-D672 HydrophobicContact CG-CB 4.46Å; P163-E675 HydrophobicContact CB-CB 3.81Å; P163-E675 HydrophobicContact CB-CG 4.07Å; P163-E675 WeakPolarHBondContact CD-OE1 3.08Å; P163-E675 WeakPolarHBondContact CD-OE2 3.31Å; P163-E675 HydrophobicContact CG-CB 3.94Å; P163-E675 VanDerWaalsContact CG-CD 3.47Å; P163-E675 HydrophobicContact CG-CG 3.66Å; P163-E675 WeakPolarHBondContact CG-OE1 3.39Å; P163-E676 WeakPolarHBondContact O-CG 3.21Å |
| 164 | C | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -26.7 | 122.2 | 147.4 | -32.4 | 0 | 0 | 0 | 0 | 108.5 | G126 S127 I162 M643 D672 L673 V678 | G126-C164 VanDerWaalsContact CA-SG 3.51Å; G126-C164 PolarHBondContact O-N 3.27Å; G126-C164 PolarHBondContact O-SG 2.91Å; S127-C164 PolarHBondContact OG-SG 3.1Å; I162-C164 PolarHBondContact O-N 2.76Å; I162-C164 VanDerWaalsContact O-N 3.11Å; C164-M643 WeakPolarHBondContact CA-SD 3.28Å; C164-M643 HydrophobicContact CB-CB 3.76Å; C164-M643 HydrophobicContact CB-CE 3.18Å; C164-M643 HydrophobicContact CB-CG 4.03Å; C164-M643 HydrophobicContact CB-SD 3.16Å; C164-M643 WeakPolarHBondContact CB-SD 3.44Å; C164-M643 VanDerWaalsContact SG-CB 3.55Å; C164-M643 WeakPolarHBondContact SG-CE 3.14Å; C164-D672 WeakPolarHBondContact CB-O 3.22Å; C164-D672 PolarHBondContact N-O 3.41Å; C164-D672 CarbonylContact O-C 3.43Å; C164-D672 VanDerWaalsContact O-O 3.06Å; C164-D672 PolarHBondContact SG-O 2.98Å; C164-L673 HydrophobicContact CB-CD2 3.94Å; C164-L673 CarbonylContact O-C 3.6Å; C164-L673 WeakPolarHBondContact O-CA 3.29Å; C164-L673 PolarHBondContact O-N 2.72Å; C164-V678 VanDerWaalsContact C-CG1 3.46Å; C164-V678 HydrophobicContact CB-CG1 3.92Å; C164-V678 WeakPolarHBondContact O-CG1 3.31Å | ||
| 165 | D | 90.9 | Very high | 87.5 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.032 | 12% | 0.116 | C | C | . | . | trans | -135.2 | 29.3 | -178.8 | 166.4 | 112.4 | 0 | 0 | 0 | 105.6 | P163 V167 K168 Y169 L673 K674 E675 E676 H677 V678 | P163-D165 PolarHBondContact O-N 3.11Å; P163-D165 VanDerWaalsContact O-N 3.09Å; D165-V167 PolarHBondContact O-N 2.93Å; D165-K168 IonicContact OD2-NZ 3.17Å; D165-Y169 PolarHBondContact N-OH 3.48Å; D165-Y169 VanDerWaalsContact N-OH 3.09Å; D165-L673 VanDerWaalsContact CB-C 3.4Å; D165-L673 VanDerWaalsContact CG-C 3.46Å; D165-L673 VanDerWaalsContact OD1-C 3.26Å; D165-K674 VanDerWaalsContact CG-N 3.26Å; D165-K674 WeakPolarHBondContact OD1-CA 3.32Å; D165-K674 PolarHBondContact OD1-N 2.83Å; D165-K674 WeakPolarHBondContact OD2-CA 3.33Å; D165-E675 VanDerWaalsContact CG-N 3.32Å; D165-E675 WeakPolarHBondContact OD2-CA 3.09Å; D165-E675 PolarHBondContact OD2-N 2.85Å; D165-E676 VanDerWaalsContact C-C 3.4Å; D165-E676 VanDerWaalsContact CA-CA 3.47Å; D165-E676 CarbonylContact O-C 3.59Å; D165-E676 PolarHBondContact OD2-N 2.92Å; D165-H677 VanDerWaalsContact C-N 3.34Å; D165-H677 CarbonylContact O-C 3.55Å; D165-H677 WeakPolarHBondContact O-CA 3.5Å; D165-H677 PolarHBondContact O-N 3.33Å; D165-H677 WeakPolarHBondContact OD1-CA 3.4Å; D165-H677 WeakPolarHBondContact OD2-CA 3.45Å; D165-H677 PolarHBondContact OD2-N 2.85Å; D165-V678 VanDerWaalsContact C-CA 3.42Å; D165-V678 HydrophobicContact CB-CB 3.86Å; D165-V678 HydrophobicContact CB-CG1 3.73Å; D165-V678 HydrophobicContact CB-CG2 3.88Å; D165-V678 PolarHBondContact O-N 3.12Å; D165-V678 PolarHBondContact OD1-N 2.95Å | ||
| 166 | F | 89.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -0.2 | -52 | 173.9 | -91.7 | -69.1 | 0 | 0 | 0 | 118.9 | Y107 Y169 L206 L638 M643 V678 M745 L748 | Y107-F166 HydrophobicContact CE2-CD1 4.24Å; Y107-F166 HydrophobicContact CE2-CE1 4.41Å; Y107-F166 AromaticContact CZ-CD1 3.87Å; Y107-F166 AromaticContact CZ-CE1 3.99Å; Y107-F166 WeakPolarHBondContact OH-CD1 3.18Å; Y107-F166 WeakPolarHBondContact OH-CE1 3.33Å; F166-Y169 VanDerWaalsContact C-CD2 3.41Å; F166-Y169 HydrophobicContact CB-CD2 4.31Å; F166-Y169 HydrophobicContact CB-CE2 4.23Å; F166-Y169 HydrophobicContact CD1-CD2 4.07Å; F166-Y169 HydrophobicContact CD1-CE2 4.3Å; F166-Y169 HydrophobicContact CG-CE2 4.41Å; F166-Y169 PolarHBondContact N-OH 3.24Å; F166-Y169 WeakPolarHBondContact O-CB 2.88Å; F166-Y169 WeakPolarHBondContact O-CD2 3.06Å; F166-Y169 PolarHBondContact O-N 2.79Å; F166-L206 HydrophobicContact CE1-CD1 3.75Å; F166-L638 HydrophobicContact CD1-CB 4.24Å; F166-L638 HydrophobicContact CD1-CD1 3.23Å; F166-L638 HydrophobicContact CD1-CG 4.31Å; F166-L638 HydrophobicContact CE1-CD1 3.89Å; F166-M643 HydrophobicContact CD2-CB 4.5Å; F166-M643 HydrophobicContact CE2-CB 4.07Å; F166-M643 HydrophobicContact CE2-CG 4.28Å; F166-V678 HydrophobicContact CB-CB 3.46Å; F166-V678 VanDerWaalsContact CB-CB 3.46Å; F166-V678 HydrophobicContact CB-CG1 3.24Å; F166-V678 HydrophobicContact CD2-CB 4.22Å; F166-V678 HydrophobicContact CD2-CG1 3.5Å; F166-V678 VanDerWaalsContact CD2-CG1 3.5Å; F166-V678 HydrophobicContact CG-CB 4.29Å; F166-V678 HydrophobicContact CG-CG1 3.71Å; F166-M745 HydrophobicContact CE2-CB 4.19Å; F166-L748 HydrophobicContact CB-CB 3.47Å; F166-L748 VanDerWaalsContact CB-CB 3.47Å; F166-L748 HydrophobicContact CB-CD1 3.67Å; F166-L748 HydrophobicContact CB-CD2 3.96Å; F166-L748 HydrophobicContact CB-CG 3.46Å; F166-L748 VanDerWaalsContact CB-CG 3.46Å; F166-L748 HydrophobicContact CD1-CB 2.63Å; F166-L748 HydrophobicContact CD1-CD1 2.28Å; F166-L748 HydrophobicContact CD1-CD2 3.77Å; F166-L748 HydrophobicContact CD1-CG 2.32Å; F166-L748 HydrophobicContact CD2-CB 3.6Å; F166-L748 HydrophobicContact CD2-CD1 2.29Å; F166-L748 HydrophobicContact CD2-CD2 2.57Å; F166-L748 HydrophobicContact CD2-CG 2.32Å; F166-L748 HydrophobicContact CE1-CB 3.09Å; F166-L748 HydrophobicContact CE1-CD1 2.31Å; F166-L748 HydrophobicContact CE1-CD2 3.86Å; F166-L748 HydrophobicContact CE1-CG 2.31Å; F166-L748 HydrophobicContact CE2-CB 3.96Å; F166-L748 HydrophobicContact CE2-CD1 2.29Å; F166-L748 HydrophobicContact CE2-CD2 2.72Å; F166-L748 HydrophobicContact CE2-CG 2.32Å; F166-L748 HydrophobicContact CG-CB 2.91Å; F166-L748 HydrophobicContact CG-CD1 2.3Å; F166-L748 HydrophobicContact CG-CD2 3.15Å; F166-L748 HydrophobicContact CG-CG 2.31Å; F166-L748 HydrophobicContact CZ-CB 3.74Å; F166-L748 HydrophobicContact CZ-CD1 2.3Å; F166-L748 HydrophobicContact CZ-CD2 3.41Å; F166-L748 VanDerWaalsContact CZ-CD2 3.41Å; F166-L748 HydrophobicContact CZ-CG 2.33Å |
| 167 | V | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -107.1 | 37.8 | -153.6 | -43 | 0 | 0 | 0 | 0 | 112.8 | D165 H677 V678 K679 L748 L749 P750 V751 | D165-V167 PolarHBondContact O-N 2.93Å; V167-H677 VanDerWaalsContact C-CB 3.43Å; V167-H677 CarbonylContact C-O 3.6Å; V167-H677 WeakPolarHBondContact CA-O 2.9Å; V167-H677 WeakPolarHBondContact CB-O 3.42Å; V167-H677 WeakPolarHBondContact CG2-O 3.11Å; V167-H677 PolarHBondContact N-O 3.44Å; V167-V678 HydrophobicContact CG1-CB 4.49Å; V167-V678 VanDerWaalsContact N-CA 3.25Å; V167-K679 HydrophobicContact CG1-CB 4.33Å; V167-K679 WeakPolarHBondContact CG1-O 3.5Å; V167-K679 HydrophobicContact CG2-CB 4.04Å; V167-K679 HydrophobicContact CG2-CG 4.18Å; V167-L748 HydrophobicContact CG1-CB 4.23Å; V167-L749 WeakPolarHBondContact CA-O 3.4Å; V167-L749 WeakPolarHBondContact CB-O 3.5Å; V167-L749 HydrophobicContact CG1-CB 4.49Å; V167-L749 WeakPolarHBondContact CG1-O 3.22Å; V167-P750 VanDerWaalsContact C-CA 3.5Å; V167-P750 VanDerWaalsContact CG2-O 3.32Å; V167-P750 WeakPolarHBondContact CG2-O 3.47Å; V167-P750 CarbonylContact O-C 3.56Å; V167-P750 VanDerWaalsContact O-C 3.31Å; V167-P750 WeakPolarHBondContact O-CA 3.39Å; V167-P750 WeakPolarHBondContact O-CB 3.44Å; V167-V751 HydrophobicContact CG2-CB 4.21Å; V167-V751 HydrophobicContact CG2-CG2 3.71Å; V167-V751 PolarHBondContact O-N 2.95Å |
| 168 | K | 87.2 | Confident | 89 | Confident | 32 Ų | 32 | 22 Ų | 22 | 14% | 0.139 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -114.6 | -11.8 | 136.9 | -88.6 | 173.5 | -128.5 | 88.8 | 0 | 110.7 | D165 T170 A171 A172 E675 H677 E752 | D165-K168 IonicContact OD2-NZ 3.17Å; K168-T170 PolarHBondContact O-N 2.88Å; K168-A171 WeakPolarHBondContact O-CB 3.44Å; K168-A171 PolarHBondContact O-N 2.95Å; K168-A171 VanDerWaalsContact O-N 3.15Å; K168-A172 PolarHBondContact O-N 3.43Å; K168-E675 PolarHBondContact NZ-O 3.36Å; K168-H677 HydrophobicContact CB-CB 3.6Å; K168-H677 HydrophobicContact CD-CB 3.75Å; K168-H677 WeakPolarHBondContact CD-CD2 3.18Å; K168-H677 VanDerWaalsContact CD-NE2 3.28Å; K168-H677 WeakPolarHBondContact CD-NE2 3.37Å; K168-H677 VanDerWaalsContact CE-CB 3.45Å; K168-H677 WeakPolarHBondContact CE-CD2 3.22Å; K168-H677 WeakPolarHBondContact CE-CE1 3.42Å; K168-H677 WeakPolarHBondContact CE-ND1 3.17Å; K168-H677 WeakPolarHBondContact CE-NE2 3.28Å; K168-H677 HydrophobicContact CG-CB 3.34Å; K168-H677 VanDerWaalsContact N-CB 3.28Å; K168-H677 PolarHBondContact NZ-CD2 3.41Å; K168-H677 PolarHBondContact NZ-CE1 2.95Å; K168-H677 PolarHBondContact NZ-ND1 2.82Å; K168-H677 PolarHBondContact NZ-NE2 3.47Å; K168-E752 WeakPolarHBondContact CG-OE2 3.31Å |
| 169 | Y | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.4 | -41.1 | -36 | 0 | 0 | 0 | 111.6 | F106 Y107 V110 D165 F166 A171 A172 S173 L638 E676 | F106-Y169 WeakPolarHBondContact CE1-O 3.28Å; Y107-Y169 VanDerWaalsContact CB-CZ 3.42Å; Y107-Y169 WeakPolarHBondContact CB-OH 3.42Å; Y107-Y169 HydrophobicContact CD1-CD1 4.07Å; Y107-Y169 AromaticContact CD1-CD2 3.19Å; Y107-Y169 HydrophobicContact CD1-CD2 3.19Å; Y107-Y169 HydrophobicContact CD1-CE1 4.04Å; Y107-Y169 AromaticContact CD1-CE2 3.18Å; Y107-Y169 HydrophobicContact CD1-CE2 3.18Å; Y107-Y169 AromaticContact CD1-CG 3.7Å; Y107-Y169 HydrophobicContact CD1-CG 3.7Å; Y107-Y169 AromaticContact CD1-CZ 3.67Å; Y107-Y169 AromaticContact CD2-CD2 3.89Å; Y107-Y169 HydrophobicContact CD2-CD2 3.89Å; Y107-Y169 AromaticContact CD2-CE2 3.05Å; Y107-Y169 HydrophobicContact CD2-CE2 3.05Å; Y107-Y169 AromaticContact CD2-CZ 3.49Å; Y107-Y169 VanDerWaalsContact CD2-CZ 3.49Å; Y107-Y169 WeakPolarHBondContact CD2-OH 3.46Å; Y107-Y169 AromaticContact CE1-CD2 3.03Å; Y107-Y169 HydrophobicContact CE1-CD2 3.03Å; Y107-Y169 AromaticContact CE1-CE2 3.33Å; Y107-Y169 HydrophobicContact CE1-CE2 3.33Å; Y107-Y169 AromaticContact CE1-CG 3.81Å; Y107-Y169 HydrophobicContact CE1-CG 3.81Å; Y107-Y169 AromaticContact CE2-CD2 3.77Å; Y107-Y169 HydrophobicContact CE2-CD2 3.77Å; Y107-Y169 AromaticContact CE2-CE2 3.21Å; Y107-Y169 HydrophobicContact CE2-CE2 3.21Å; Y107-Y169 HydrophobicContact CG-CD1 4.43Å; Y107-Y169 AromaticContact CG-CD2 3.67Å; Y107-Y169 HydrophobicContact CG-CD2 3.67Å; Y107-Y169 AromaticContact CG-CE1 3.94Å; Y107-Y169 HydrophobicContact CG-CE1 3.94Å; Y107-Y169 AromaticContact CG-CE2 3.09Å; Y107-Y169 HydrophobicContact CG-CE2 3.09Å; Y107-Y169 HydrophobicContact CG-CG 4.35Å; Y107-Y169 AromaticContact CG-CZ 3.29Å; Y107-Y169 AromaticContact CZ-CD2 3.36Å; Y107-Y169 AromaticContact CZ-CE2 3.37Å; V110-Y169 HydrophobicContact CB-CD1 3.78Å; V110-Y169 HydrophobicContact CB-CE1 4.13Å; V110-Y169 HydrophobicContact CG1-CD1 3.78Å; V110-Y169 HydrophobicContact CG1-CE1 4.25Å; V110-Y169 HydrophobicContact CG2-CD1 3.98Å; D165-Y169 PolarHBondContact N-OH 3.48Å; D165-Y169 VanDerWaalsContact N-OH 3.09Å; F166-Y169 VanDerWaalsContact C-CD2 3.41Å; F166-Y169 HydrophobicContact CB-CD2 4.31Å; F166-Y169 HydrophobicContact CB-CE2 4.23Å; F166-Y169 HydrophobicContact CD1-CD2 4.07Å; F166-Y169 HydrophobicContact CD1-CE2 4.3Å; F166-Y169 HydrophobicContact CG-CE2 4.41Å; F166-Y169 PolarHBondContact N-OH 3.24Å; F166-Y169 WeakPolarHBondContact O-CB 2.88Å; F166-Y169 WeakPolarHBondContact O-CD2 3.06Å; F166-Y169 PolarHBondContact O-N 2.79Å; Y169-A171 PolarHBondContact O-N 3.17Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 3.37Å; Y169-A172 VanDerWaalsContact O-N 3.17Å; Y169-S173 PolarHBondContact O-N 2.59Å; Y169-L638 VanDerWaalsContact CB-CD2 3.49Å; Y169-L638 HydrophobicContact CD2-CB 3.98Å; Y169-L638 HydrophobicContact CG-CB 4.39Å; Y169-L638 WeakPolarHBondContact O-CD2 3.29Å; Y169-E676 HydrophobicContact CE1-CB 3.6Å; Y169-E676 HydrophobicContact CE1-CG 4.41Å; Y169-E676 WeakPolarHBondContact CE1-OE2 3.48Å; Y169-E676 VanDerWaalsContact CZ-OE2 3.24Å; Y169-E676 WeakPolarHBondContact OH-CB 3.32Å; Y169-E676 WeakPolarHBondContact OH-CG 3.32Å; Y169-E676 PolarHBondContact OH-OE2 3.21Å |
| 170 | T | 87.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78.8 | -1.7 | -179 | -96.5 | 0 | 0 | 0 | 0 | 108.7 | K168 R174 V636 L638 L749 P750 M753 | K168-T170 PolarHBondContact O-N 2.88Å; T170-R174 WeakPolarHBondContact O-CB 3.22Å; T170-R174 PolarHBondContact O-N 2.81Å; T170-V636 HydrophobicContact CG2-CB 3.5Å; T170-V636 VanDerWaalsContact CG2-CB 3.5Å; T170-V636 HydrophobicContact CG2-CG1 4.05Å; T170-V636 HydrophobicContact CG2-CG2 3.94Å; T170-V636 VanDerWaalsContact O-CG1 3.26Å; T170-V636 WeakPolarHBondContact O-CG1 3.42Å; T170-V636 WeakPolarHBondContact OG1-CB 3.19Å; T170-V636 VanDerWaalsContact OG1-CG1 3.3Å; T170-V636 WeakPolarHBondContact OG1-CG1 3.04Å; T170-V636 PolarHBondContact OG1-O 2.68Å; T170-V636 VanDerWaalsContact OG1-O 3.12Å; T170-L638 WeakPolarHBondContact OG1-CD2 3.45Å; T170-L638 WeakPolarHBondContact OG1-CG 3.44Å; T170-L749 VanDerWaalsContact CB-O 3.22Å; T170-L749 WeakPolarHBondContact CB-O 3.33Å; T170-L749 VanDerWaalsContact CG2-C 3.47Å; T170-L749 HydrophobicContact CG2-CB 4.19Å; T170-L749 HydrophobicContact CG2-CD2 3.9Å; T170-L749 PolarHBondContact N-O 3.22Å; T170-P750 HydrophobicContact CG2-CG 4.3Å; T170-M753 HydrophobicContact CG2-SD 4.15Å |
| 171 | A | 84.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 22.4 Ų | 22.4 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -87.8 | -52.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109 | K168 Y169 S173 R174 V175 P750 M753 | K168-A171 WeakPolarHBondContact O-CB 3.44Å; K168-A171 PolarHBondContact O-N 2.95Å; K168-A171 VanDerWaalsContact O-N 3.15Å; Y169-A171 PolarHBondContact O-N 3.17Å; A171-S173 PolarHBondContact O-N 2.75Å; A171-R174 PolarHBondContact O-N 3.14Å; A171-V175 WeakPolarHBondContact O-CG2 3.34Å; A171-V175 PolarHBondContact O-N 2.77Å; A171-P750 HydrophobicContact CB-CB 4.45Å; A171-P750 HydrophobicContact CB-CG 3.5Å; A171-P750 VanDerWaalsContact CB-CG 3.5Å; A171-M753 HydrophobicContact CB-CE 3.79Å; A171-M753 HydrophobicContact CB-SD 4.32Å |
| 172 | A | 86.5 | Confident | 87.5 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -49.2 | -32.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F106 V110 K168 Y169 V176 | F106-A172 HydrophobicContact CE1-CB 3.98Å; F106-A172 HydrophobicContact CE2-CB 4.33Å; F106-A172 HydrophobicContact CZ-CB 3.6Å; V110-A172 HydrophobicContact CG2-CB 3.96Å; K168-A172 PolarHBondContact O-N 3.43Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 3.37Å; Y169-A172 VanDerWaalsContact O-N 3.17Å; A172-V176 WeakPolarHBondContact O-CG2 3.02Å; A172-V176 PolarHBondContact O-N 2.76Å |
| 173 | S | 89.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -107.4 | -4.2 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 115.9 | Y169 A171 V175 V176 R177 V636 E637 | Y169-S173 PolarHBondContact O-N 2.59Å; A171-S173 PolarHBondContact O-N 2.75Å; S173-V175 PolarHBondContact O-N 2.66Å; S173-V176 PolarHBondContact O-N 2.66Å; S173-R177 WeakPolarHBondContact O-CA 3.42Å; S173-R177 WeakPolarHBondContact O-CB 3.1Å; S173-R177 WeakPolarHBondContact O-CG 3.33Å; S173-R177 PolarHBondContact O-N 3.5Å; S173-V636 WeakPolarHBondContact O-CG1 3.47Å; S173-V636 WeakPolarHBondContact OG-CG1 3.5Å; S173-E637 WeakPolarHBondContact CB-O 3.48Å; S173-E637 PolarHBondContact OG-N 2.99Å; S173-E637 PolarHBondContact OG-O 2.6Å |
| 174 | R | 88.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 28.8 Ų | 28.8 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66 | -37.7 | 164 | -146 | 159.3 | -84.5 | 179 | -2.6 | 106.9 | T170 A171 S178 G634 V636 M753 | T170-R174 WeakPolarHBondContact O-CB 3.22Å; T170-R174 PolarHBondContact O-N 2.81Å; A171-R174 PolarHBondContact O-N 3.14Å; R174-S178 WeakPolarHBondContact O-CB 3.38Å; R174-S178 PolarHBondContact O-N 2.91Å; R174-S178 PolarHBondContact O-OG 3.17Å; R174-G634 PolarHBondContact NE-O 3.09Å; R174-G634 PolarHBondContact NH2-O 3.33Å; R174-V636 VanDerWaalsContact CA-CG2 3.41Å; R174-V636 HydrophobicContact CB-CG2 3.5Å; R174-V636 HydrophobicContact CG-CG2 3.44Å; R174-V636 VanDerWaalsContact CG-CG2 3.44Å; R174-M753 HydrophobicContact CB-CE 3.92Å; R174-M753 HydrophobicContact CB-SD 4.04Å; R174-M753 VanDerWaalsContact CD-SD 3.52Å; R174-M753 HydrophobicContact CG-CE 4.43Å; R174-M753 HydrophobicContact CG-SD 4.36Å; R174-M753 PolarHBondContact NE-SD 3.35Å; R174-M753 VanDerWaalsContact NH1-CG 3.28Å; R174-M753 PolarHBondContact NH1-SD 2.85Å; R174-M753 VanDerWaalsContact NH1-SD 3.38Å |
| 175 | V | 84.6 | Confident | 85.2 | Confident | 83 Ų | 83 | 32.6 Ų | 32.6 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57 | -65.9 | 163.8 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | A171 S173 R177 S178 I179 | A171-V175 WeakPolarHBondContact O-CG2 3.34Å; A171-V175 PolarHBondContact O-N 2.77Å; S173-V175 PolarHBondContact O-N 2.66Å; V175-R177 PolarHBondContact O-N 2.66Å; V175-S178 WeakPolarHBondContact CA-OG 3.41Å; V175-S178 PolarHBondContact O-N 2.99Å; V175-S178 PolarHBondContact O-OG 2.96Å; V175-I179 HydrophobicContact CG1-CD1 3.64Å; V175-I179 WeakPolarHBondContact O-CG1 2.96Å; V175-I179 PolarHBondContact O-N 3.2Å |
| 176 | V | 85.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.7 | -49.7 | -178.7 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | V101 M103 A172 S173 S178 L180 | V101-V176 HydrophobicContact CG2-CG1 4.37Å; M103-V176 HydrophobicContact CE-CG2 4.08Å; M103-V176 HydrophobicContact CG-CG1 4.22Å; M103-V176 HydrophobicContact CG-CG2 4.5Å; M103-V176 HydrophobicContact SD-CG1 4.47Å; M103-V176 HydrophobicContact SD-CG2 4.37Å; A172-V176 WeakPolarHBondContact O-CG2 3.02Å; A172-V176 PolarHBondContact O-N 2.76Å; S173-V176 PolarHBondContact O-N 2.66Å; V176-S178 PolarHBondContact O-N 2.92Å; V176-L180 HydrophobicContact CG1-CD1 3.47Å; V176-L180 VanDerWaalsContact CG1-CD1 3.47Å; V176-L180 WeakPolarHBondContact O-CB 3.12Å; V176-L180 WeakPolarHBondContact O-CD1 3.43Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.15Å; V176-L180 VanDerWaalsContact O-N 3.14Å |
| 177 | R | 86.5 | Confident | 82.4 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.6 | -76.7 | -157.6 | 179.2 | -177.9 | 9.2 | 112.4 | S173 V175 L180 M181 F201 Q635 E637 | S173-R177 WeakPolarHBondContact O-CA 3.42Å; S173-R177 WeakPolarHBondContact O-CB 3.1Å; S173-R177 WeakPolarHBondContact O-CG 3.33Å; S173-R177 PolarHBondContact O-N 3.5Å; V175-R177 PolarHBondContact O-N 2.66Å; R177-L180 CarbonylContact O-C 3.56Å; R177-L180 WeakPolarHBondContact O-CA 3.39Å; R177-L180 PolarHBondContact O-N 3.48Å; R177-L180 VanDerWaalsContact O-N 3.13Å; R177-M181 WeakPolarHBondContact O-CG 3.11Å; R177-M181 PolarHBondContact O-N 3.09Å; R177-F201 HydrophobicContact CB-CE1 4.38Å; R177-F201 HydrophobicContact CB-CZ 3.66Å; R177-F201 HydrophobicContact CG-CE1 4.16Å; R177-F201 HydrophobicContact CG-CZ 3.74Å; R177-F201 VanDerWaalsContact O-CE2 3.23Å; R177-F201 WeakPolarHBondContact O-CE2 3.36Å; R177-Q635 VanDerWaalsContact CD-O 3.25Å; R177-Q635 WeakPolarHBondContact CD-O 3.39Å; R177-Q635 PolarHBondContact NE-O 3.17Å; R177-Q635 PolarHBondContact NH1-O 2.78Å; R177-E637 IonicContact CZ-OE1 3.24Å; R177-E637 IonicContact CZ-OE2 3.39Å; R177-E637 VanDerWaalsContact CZ-OE2 3.3Å; R177-E637 VanDerWaalsContact NE-CD 3.31Å; R177-E637 IonicContact NE-OE1 3.16Å; R177-E637 IonicContact NE-OE2 2.74Å; R177-E637 PolarHBondContact NE-OE2 2.92Å; R177-E637 VanDerWaalsContact NH2-CG 3.3Å; R177-E637 IonicContact NH2-OE1 2.72Å; R177-E637 PolarHBondContact NH2-OE1 2.94Å; R177-E637 IonicContact NH2-OE2 2.86Å; R177-E637 PolarHBondContact NH2-OE2 2.88Å |
| 178 | S | 82.1 | Confident | 80.8 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -46.5 | -177.4 | 64 | 0 | 0 | 0 | 0 | 112.9 | R174 V175 V176 L180 M181 E182 | R174-S178 WeakPolarHBondContact O-CB 3.38Å; R174-S178 PolarHBondContact O-N 2.91Å; R174-S178 PolarHBondContact O-OG 3.17Å; V175-S178 WeakPolarHBondContact CA-OG 3.41Å; V175-S178 PolarHBondContact O-N 2.99Å; V175-S178 PolarHBondContact O-OG 2.96Å; V176-S178 PolarHBondContact O-N 2.92Å; S178-L180 PolarHBondContact O-N 2.51Å; S178-M181 WeakPolarHBondContact O-CB 3.06Å; S178-M181 PolarHBondContact O-N 2.88Å; S178-E182 PolarHBondContact O-N 2.73Å |
| 179 | I | 83.8 | Confident | 79 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.5 | -41.7 | 172.2 | -67.6 | 161.8 | 0 | 0 | 0 | 110.1 | V175 E182 Y183 E612 | V175-I179 HydrophobicContact CG1-CD1 3.64Å; V175-I179 WeakPolarHBondContact O-CG1 2.96Å; V175-I179 PolarHBondContact O-N 3.2Å; I179-E182 WeakPolarHBondContact O-CB 3.21Å; I179-E182 PolarHBondContact O-N 3.31Å; I179-Y183 HydrophobicContact CG2-CE2 4.27Å; I179-Y183 WeakPolarHBondContact O-CD2 3.46Å; I179-E612 HydrophobicContact CG2-CB 3.63Å; I179-E612 HydrophobicContact CG2-CG 4.08Å |
| 180 | L | 86.9 | Confident | 76.6 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.3 | -19.8 | 179.9 | -64.7 | 164.3 | 0 | 0 | 0 | 113.2 | V101 V176 R177 S178 Y183 F201 L211 E612 N615 K616 | V101-L180 HydrophobicContact CG2-CD1 3.86Å; V176-L180 HydrophobicContact CG1-CD1 3.47Å; V176-L180 VanDerWaalsContact CG1-CD1 3.47Å; V176-L180 WeakPolarHBondContact O-CB 3.12Å; V176-L180 WeakPolarHBondContact O-CD1 3.43Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.15Å; V176-L180 VanDerWaalsContact O-N 3.14Å; R177-L180 CarbonylContact O-C 3.56Å; R177-L180 WeakPolarHBondContact O-CA 3.39Å; R177-L180 PolarHBondContact O-N 3.48Å; R177-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact O-N 2.51Å; L180-Y183 HydrophobicContact CD2-CD2 4.31Å; L180-F201 HydrophobicContact CB-CE2 3.81Å; L180-L211 HydrophobicContact CB-CD2 4.4Å; L180-L211 HydrophobicContact CD2-CD1 4.39Å; L180-L211 HydrophobicContact CD2-CD2 4.41Å; L180-L211 WeakPolarHBondContact O-CD2 3.39Å; L180-E612 WeakPolarHBondContact CD2-O 3.46Å; L180-N615 WeakPolarHBondContact CD2-O 3.29Å; L180-K616 HydrophobicContact CB-CG 4.23Å; L180-K616 HydrophobicContact CD1-CG 3.6Å; L180-K616 HydrophobicContact CD2-CG 4.24Å; L180-K616 HydrophobicContact CG-CG 4.22Å |
| 181 | M | 82.8 | Confident | 74.6 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73 | -34.5 | 173.3 | -72.7 | 178.6 | 75.6 | 0 | 0 | 111.7 | R177 S178 Y183 T184 V185 I199 F201 | R177-M181 WeakPolarHBondContact O-CG 3.11Å; R177-M181 PolarHBondContact O-N 3.09Å; S178-M181 WeakPolarHBondContact O-CB 3.06Å; S178-M181 PolarHBondContact O-N 2.88Å; M181-Y183 PolarHBondContact O-N 2.72Å; M181-T184 PolarHBondContact O-N 2.83Å; M181-T184 PolarHBondContact O-OG1 2.86Å; M181-V185 PolarHBondContact O-N 3.48Å; M181-I199 HydrophobicContact CE-CD1 3.94Å; M181-I199 HydrophobicContact CE-CG2 4.43Å; M181-F201 HydrophobicContact CB-CD2 4.13Å; M181-F201 HydrophobicContact CB-CE2 4.2Å; M181-F201 HydrophobicContact CG-CD1 4.36Å; M181-F201 HydrophobicContact CG-CD2 3.3Å; M181-F201 HydrophobicContact CG-CE1 4.39Å; M181-F201 HydrophobicContact CG-CE2 3.28Å; M181-F201 HydrophobicContact CG-CG 3.88Å; M181-F201 HydrophobicContact CG-CZ 3.88Å |
| 182 | E | 81.2 | Confident | 72.6 | Confident | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25 | 174.3 | -59.9 | -178.8 | -144.1 | 0 | 0 | 112.9 | S178 I179 | S178-E182 PolarHBondContact O-N 2.73Å; I179-E182 WeakPolarHBondContact O-CB 3.21Å; I179-E182 PolarHBondContact O-N 3.31Å |
| 183 | Y | 81.9 | Confident | 70.7 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -2.5 | 179.7 | -64.1 | -39.5 | 0 | 0 | 0 | 114.8 | I179 L180 M181 L211 H216 E612 K613 | I179-Y183 HydrophobicContact CG2-CE2 4.27Å; I179-Y183 WeakPolarHBondContact O-CD2 3.46Å; L180-Y183 HydrophobicContact CD2-CD2 4.31Å; M181-Y183 PolarHBondContact O-N 2.72Å; Y183-L211 VanDerWaalsContact CB-CD2 3.44Å; Y183-L211 HydrophobicContact CG-CD2 4.49Å; Y183-H216 AromaticContact CD1-CE1 3.6Å; Y183-H216 AromaticContact CD1-NE2 3.95Å; Y183-H216 WeakPolarHBondContact O-CB 3.33Å; Y183-E612 HydrophobicContact CE2-CB 3.84Å; Y183-K613 VanDerWaalsContact CB-NZ 3.25Å; Y183-K613 HydrophobicContact CD1-CD 4.17Å; Y183-K613 VanDerWaalsContact CD1-CE 3.41Å; Y183-K613 HydrophobicContact CD1-CG 3.68Å; Y183-K613 HydrophobicContact CD2-CB 4.27Å; Y183-K613 HydrophobicContact CD2-CG 3.42Å; Y183-K613 VanDerWaalsContact CD2-CG 3.42Å; Y183-K613 HydrophobicContact CE1-CD 4.36Å; Y183-K613 HydrophobicContact CE1-CG 3.8Å; Y183-K613 HydrophobicContact CE2-CB 4.36Å; Y183-K613 HydrophobicContact CE2-CG 3.61Å; Y183-K613 HydrophobicContact CG-CD 4.3Å; Y183-K613 HydrophobicContact CG-CG 3.47Å; Y183-K613 VanDerWaalsContact CG-CG 3.47Å; Y183-K613 VanDerWaalsContact CG-NZ 3.27Å |
| 184 | T | 76 | Confident | 68.5 | Low | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -9.7 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | M181 P200 F201 L211 | M181-T184 PolarHBondContact O-N 2.83Å; M181-T184 PolarHBondContact O-OG1 2.86Å; T184-P200 HydrophobicContact CG2-CB 4.41Å; T184-P200 WeakPolarHBondContact CG2-O 2.96Å; T184-P200 WeakPolarHBondContact O-CD 3.2Å; T184-F201 HydrophobicContact CG2-CB 4.04Å; T184-F201 HydrophobicContact CG2-CD2 4.1Å; T184-L211 HydrophobicContact CG2-CB 3.78Å; T184-L211 HydrophobicContact CG2-CD2 3.91Å; T184-L211 HydrophobicContact CG2-CG 4.05Å |
| 185 | V | 71.1 | Confident | 66.3 | Low | 79 Ų | 79 | 72.8 Ų | 72.8 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | trans | -90.6 | 125.8 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | M181 | M181-V185 PolarHBondContact O-N 3.48Š| ||
| 186 | S | 64.5 | Low | 64.1 | Low | 32 Ų | 32 | 70.8 Ų | 70.8 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | trans | -96.4 | 145.4 | 169.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | G188 N189 D219 | S186-G188 PolarHBondContact O-N 3.48Å; S186-N189 PolarHBondContact O-N 3.01Å; S186-D219 WeakPolarHBondContact CA-OD2 2.94Å; S186-D219 VanDerWaalsContact CB-OD2 3.28Å; S186-D219 WeakPolarHBondContact CB-OD2 3.06Å; S186-D219 PolarHBondContact OG-OD1 3.06Å; S186-D219 PolarHBondContact OG-OD2 3.01Å | ||
| 187 | A | 57.9 | Low | 62.3 | Low | 65 Ų | 65 | 71.7 Ų | 71.7 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D219 | A187-D219 PolarHBondContact N-OD2 3.13Š|
| 188 | G | 53.9 | Low | 60.8 | Low | 69 Ų | 69 | 72.9 Ų | 72.9 | 71% | 0.711 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | S186 | S186-G188 PolarHBondContact O-N 3.48Š|
| 189 | N | 50.8 | Low | 59.9 | Low | 110 Ų | 110 | 72.6 Ų | 72.6 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | trans | -108.9 | 73.9 | -169.4 | -154 | 11.5 | 0 | 0 | 0 | 112 | S186 Q191 | S186-N189 PolarHBondContact O-N 3.01Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-Q191 PolarHBondContact O-N 2.64Å | ||
| 190 | T | 42.7 | Very low | 59.6 | Low | 132 Ų | 132 | 72.5 Ų | 72.5 | 81% | 0.81 | 42% | 0.422 | S | S | * | . | trans | -87.8 | 18.4 | -170 | 53 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 191 | Q | 45.9 | Very low | 59.4 | Low | 150 Ų | 150 | 73.6 Ų | 73.6 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -78.1 | 142.1 | 165.1 | -67.4 | -175.1 | -14 | 0 | 0 | 109.4 | N189 | N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-Q191 PolarHBondContact O-N 2.64Å |
| 192 | N | 41.1 | Very low | 59.3 | Low | 119 Ų | 119 | 71.8 Ų | 71.8 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | trans | -54.3 | 122.5 | -168.3 | -90.5 | -34 | 0 | 0 | 0 | 111.9 | C194 E195 | N192-C194 PolarHBondContact O-N 3.11Å; N192-E195 PolarHBondContact O-N 3.17Å; N192-E195 VanDerWaalsContact O-N 3.11Å | ||
| 193 | P | 48 | Very low | 59.4 | Low | 81 Ų | 81 | 67.3 Ų | 67.3 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 13.8 | -174.5 | 30.5 | -36.9 | 0 | 0 | 0 | 114 | ||
| 194 | C | 43 | Very low | 59 | Low | 84 Ų | 84 | 68.6 Ų | 68.6 | 57% | 0.568 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -13.3 | 173 | -53 | 0 | 0 | 0 | 0 | 112.8 | N192 | N192-C194 PolarHBondContact O-N 3.11Š|
| 195 | E | 41.3 | Very low | 59.4 | Low | 149 Ų | 149 | 69.1 Ų | 69.1 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -1.2 | -171 | -64.3 | -176.4 | 150.1 | 0 | 0 | 114 | N192 | N192-E195 PolarHBondContact O-N 3.17Å; N192-E195 VanDerWaalsContact O-N 3.11Å |
| 196 | S | 39.2 | Very low | 60 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 29% | 0.287 | 40% | 0.403 | S | S | . | . | trans | -111.9 | 106.1 | 177.4 | 159.9 | 0 | 0 | 0 | 0 | 112 | N198 P630 | S196-N198 PolarHBondContact O-N 3.26Å; S196-P630 VanDerWaalsContact C-CD 3.41Å; S196-P630 WeakPolarHBondContact O-CG 3.01Å | ||
| 197 | D | 47.5 | Very low | 61 | Low | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -34.9 | -38.3 | -176.2 | -62.1 | 45.7 | 0 | 0 | 0 | 117.5 | I199 S628 V629 | D197-I199 PolarHBondContact O-N 2.81Å; D197-S628 WeakPolarHBondContact CA-O 3.08Å; D197-S628 VanDerWaalsContact CB-C 3.48Å; D197-S628 WeakPolarHBondContact OD2-CA 3.21Å; D197-S628 PolarHBondContact OD2-N 3.26Å; D197-V629 WeakPolarHBondContact OD1-CA 3.42Å; D197-V629 VanDerWaalsContact OD1-CG2 3.31Å; D197-V629 WeakPolarHBondContact OD1-CG2 3.37Å; D197-V629 PolarHBondContact OD1-N 2.79Å; D197-V629 PolarHBondContact OD2-N 2.95Å |
| 198 | N | 54.6 | Low | 62.5 | Low | 52 Ų | 52 | 64.3 Ų | 64.3 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | trans | -102.1 | 52.8 | -157.9 | -57.7 | -35.1 | 0 | 0 | 0 | 112.1 | S196 P200 E626 N627 | S196-N198 PolarHBondContact O-N 3.26Å; N198-P200 VanDerWaalsContact O-CD 3.31Å; N198-P200 WeakPolarHBondContact O-CD 3.27Å; N198-E626 HydrophobicContact CB-CB 4.17Å; N198-E626 HydrophobicContact CB-CG 4.15Å; N198-E626 VanDerWaalsContact CG-CB 3.47Å; N198-E626 WeakPolarHBondContact OD1-CA 3.3Å; N198-E626 VanDerWaalsContact OD1-CB 3.3Å; N198-E626 WeakPolarHBondContact OD1-CB 3.38Å; N198-N627 PolarHBondContact ND2-OD1 3.42Å; N198-N627 VanDerWaalsContact OD1-CA 3.28Å; N198-N627 WeakPolarHBondContact OD1-CA 3.37Å; N198-N627 PolarHBondContact OD1-N 2.75Å | ||
| 199 | I | 64.5 | Low | 64 | Low | 50 Ų | 50 | 61.2 Ų | 61.2 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | trans | -65 | 126.9 | 167.3 | -49.8 | -176.1 | 0 | 0 | 0 | 106.9 | M181 D197 F201 P630 | M181-I199 HydrophobicContact CE-CD1 3.94Å; M181-I199 HydrophobicContact CE-CG2 4.43Å; D197-I199 PolarHBondContact O-N 2.81Å; I199-F201 HydrophobicContact CB-CB 4.37Å; I199-F201 HydrophobicContact CG2-CB 3.58Å; I199-F201 PolarHBondContact O-N 3.35Å; I199-P630 HydrophobicContact CD1-CB 4.01Å; I199-P630 HydrophobicContact CD1-CG 4.16Å; I199-P630 HydrophobicContact CG1-CG 4.32Å | ||
| 200 | P | 76.9 | Confident | 65.7 | Low | 31 Ų | 31 | 57.5 Ų | 57.5 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -71.2 | 34.7 | 178.9 | -14.7 | 27.9 | 0 | 0 | 0 | 114.3 | T184 N198 L211 D212 | T184-P200 HydrophobicContact CG2-CB 4.41Å; T184-P200 WeakPolarHBondContact CG2-O 2.96Å; T184-P200 WeakPolarHBondContact O-CD 3.2Å; N198-P200 VanDerWaalsContact O-CD 3.31Å; N198-P200 WeakPolarHBondContact O-CD 3.27Å; P200-L211 CarbonylContact O-C 2.76Å; P200-L211 WeakPolarHBondContact O-CA 3.5Å; P200-D212 HydrophobicContact CB-CB 3.75Å; P200-D212 PolarHBondContact O-N 3.21Å |
| 201 | F | 82.6 | Confident | 67.7 | Low | 28 Ų | 28 | 51.2 Ų | 51.2 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 97.9 | -170.2 | -171.6 | -74.2 | 0 | 0 | 0 | 108.3 | R177 L180 M181 T184 I199 A203 Y210 K616 | R177-F201 HydrophobicContact CB-CE1 4.38Å; R177-F201 HydrophobicContact CB-CZ 3.66Å; R177-F201 HydrophobicContact CG-CE1 4.16Å; R177-F201 HydrophobicContact CG-CZ 3.74Å; R177-F201 VanDerWaalsContact O-CE2 3.23Å; R177-F201 WeakPolarHBondContact O-CE2 3.36Å; L180-F201 HydrophobicContact CB-CE2 3.81Å; M181-F201 HydrophobicContact CB-CD2 4.13Å; M181-F201 HydrophobicContact CB-CE2 4.2Å; M181-F201 HydrophobicContact CG-CD1 4.36Å; M181-F201 HydrophobicContact CG-CD2 3.3Å; M181-F201 HydrophobicContact CG-CE1 4.39Å; M181-F201 HydrophobicContact CG-CE2 3.28Å; M181-F201 HydrophobicContact CG-CG 3.88Å; M181-F201 HydrophobicContact CG-CZ 3.88Å; T184-F201 HydrophobicContact CG2-CB 4.04Å; T184-F201 HydrophobicContact CG2-CD2 4.1Å; I199-F201 HydrophobicContact CB-CB 4.37Å; I199-F201 HydrophobicContact CG2-CB 3.58Å; I199-F201 PolarHBondContact O-N 3.35Å; F201-A203 HydrophobicContact CE1-CB 4.38Å; F201-Y210 CarbonylContact C-O 3.53Å; F201-Y210 WeakPolarHBondContact CA-O 3.16Å; F201-K616 VanDerWaalsContact CD2-CE 3.49Å |
| 202 | S | 81.9 | Confident | 69.6 | Low | 35 Ų | 35 | 45.2 Ų | 45.2 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 164.1 | 166.1 | -171 | 0 | 0 | 0 | 0 | 110.8 | A209 Y210 K616 | S202-A209 CarbonylContact O-C 3.37Å; S202-A209 WeakPolarHBondContact O-CA 3.45Å; S202-A209 VanDerWaalsContact O-CB 3.32Å; S202-A209 WeakPolarHBondContact O-CB 3.48Å; S202-Y210 PolarHBondContact N-O 3Å; S202-Y210 PolarHBondContact O-N 3.29Å; S202-K616 PolarHBondContact O-NZ 2.82Å |
| 203 | A | 82 | Confident | 71.8 | Confident | 35 Ų | 35 | 40 Ų | 40 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 99.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | F201 E637 | F201-A203 HydrophobicContact CE1-CB 4.38Å; A203-E637 WeakPolarHBondContact CA-OE1 3.49Å; A203-E637 WeakPolarHBondContact CB-OE1 3.37Å |
| 204 | V | 73.2 | Confident | 73.5 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -51.1 | -161.4 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | E208 Y210 E637 | V204-E208 HydrophobicContact CB-CB 4.07Å; V204-E208 HydrophobicContact CG1-CB 4.45Å; V204-E208 PolarHBondContact N-O 2.95Å; V204-Y210 HydrophobicContact CG2-CD2 3.6Å; V204-Y210 HydrophobicContact CG2-CE2 3.76Å; V204-E637 PolarHBondContact N-OE1 3.31Å |
| 205 | S | 85 | Confident | 75.5 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 178.4 | -179.4 | 86.1 | 0 | 0 | 0 | 0 | 108.2 | D207 E208 E637 K641 | S205-D207 PolarHBondContact O-N 3.39Å; S205-E208 PolarHBondContact N-O 3.4Å; S205-E208 VanDerWaalsContact N-O 3.16Å; S205-E208 CarbonylContact O-C 3.54Å; S205-E208 WeakPolarHBondContact O-CA 3.31Å; S205-E208 PolarHBondContact O-N 3.13Å; S205-E208 WeakPolarHBondContact OG-CG 3.47Å; S205-E208 PolarHBondContact OG-OE2 2.87Å; S205-E637 WeakPolarHBondContact O-CB 2.99Å; S205-E637 VanDerWaalsContact O-CD 3.22Å; S205-E637 WeakPolarHBondContact O-CG 3.18Å; S205-K641 WeakPolarHBondContact OG-CD 3.38Å; S205-K641 WeakPolarHBondContact OG-CE 3.47Å; S205-K641 PolarHBondContact OG-NZ 2.98Å |
| 206 | L | 84.7 | Confident | 77.5 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.8 | -160.4 | -55 | -176.4 | 0 | 0 | 0 | 111.1 | F166 V636 E637 L638 N639 | F166-L206 HydrophobicContact CE1-CD1 3.75Å; L206-V636 WeakPolarHBondContact CD2-O 2.93Å; L206-E637 HydrophobicContact CD2-CG 4.03Å; L206-E637 CarbonylContact O-C 3.38Å; L206-E637 WeakPolarHBondContact O-CA 3.18Å; L206-E637 VanDerWaalsContact O-CB 3.25Å; L206-E637 WeakPolarHBondContact O-CB 3.25Å; L206-L638 CarbonylContact C-O 3.6Å; L206-L638 WeakPolarHBondContact CA-O 3.46Å; L206-L638 VanDerWaalsContact CB-C 3.47Å; L206-L638 HydrophobicContact CB-CB 3.78Å; L206-L638 HydrophobicContact CB-CG 4.12Å; L206-L638 WeakPolarHBondContact CB-O 3.4Å; L206-L638 HydrophobicContact CD1-CB 4.36Å; L206-L638 HydrophobicContact CD1-CD1 4.13Å; L206-L638 HydrophobicContact CD1-CG 4.16Å; L206-L638 HydrophobicContact CD2-CG 4.24Å; L206-L638 HydrophobicContact CG-CG 4.4Å; L206-L638 CarbonylContact O-C 3.56Å; L206-L638 WeakPolarHBondContact O-CA 3.24Å; L206-L638 PolarHBondContact O-N 2.9Å; L206-N639 PolarHBondContact O-N 3.16Å; L206-N639 PolarHBondContact O-OD1 2.9Å |
| 207 | D | 85.1 | Confident | 79.6 | Confident | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.7 | 169.6 | -36.4 | 45.5 | 0 | 0 | 0 | 113.8 | V101 S205 S617 N639 R640 K641 | V101-D207 VanDerWaalsContact O-O 3.06Å; S205-D207 PolarHBondContact O-N 3.39Å; D207-S617 WeakPolarHBondContact O-CB 3.43Å; D207-N639 VanDerWaalsContact CA-CA 3.5Å; D207-N639 HydrophobicContact CB-CB 3.44Å; D207-N639 VanDerWaalsContact CB-CB 3.44Å; D207-N639 VanDerWaalsContact CG-CB 3.41Å; D207-N639 WeakPolarHBondContact OD1-CA 3.39Å; D207-N639 VanDerWaalsContact OD2-CA 3.3Å; D207-N639 WeakPolarHBondContact OD2-CA 3.4Å; D207-N639 VanDerWaalsContact OD2-CB 3.27Å; D207-N639 WeakPolarHBondContact OD2-CB 3.21Å; D207-R640 PolarHBondContact OD1-N 2.87Å; D207-K641 WeakPolarHBondContact OD1-CE 3.4Å; D207-K641 WeakPolarHBondContact OD1-CG 3.32Å; D207-K641 IonicContact OD1-NZ 2.88Å |
| 208 | E | 87.8 | Confident | 81.2 | Confident | 29 Ų | 29 | 33 Ų | 33 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 140 | -132.7 | -45.6 | -178.3 | 157.7 | 0 | 0 | 114.7 | V204 S205 S617 K641 | V204-E208 HydrophobicContact CB-CB 4.07Å; V204-E208 HydrophobicContact CG1-CB 4.45Å; V204-E208 PolarHBondContact N-O 2.95Å; S205-E208 PolarHBondContact N-O 3.4Å; S205-E208 VanDerWaalsContact N-O 3.16Å; S205-E208 CarbonylContact O-C 3.54Å; S205-E208 WeakPolarHBondContact O-CA 3.31Å; S205-E208 PolarHBondContact O-N 3.13Å; S205-E208 WeakPolarHBondContact OG-CG 3.47Å; S205-E208 PolarHBondContact OG-OE2 2.87Å; E208-S617 CarbonylContact C-O 3.29Å; E208-S617 VanDerWaalsContact CA-CB 3.49Å; E208-S617 VanDerWaalsContact CA-O 3.24Å; E208-S617 WeakPolarHBondContact CA-O 3.41Å; E208-S617 VanDerWaalsContact CB-O 3.29Å; E208-S617 WeakPolarHBondContact CB-O 3.16Å; E208-K641 IonicContact OE1-NZ 2.94Å; E208-K641 PolarHBondContact OE1-NZ 3.02Å; E208-K641 IonicContact OE2-NZ 2.72Å; E208-K641 PolarHBondContact OE2-NZ 2.74Å |
| 209 | A | 86.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | -173.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | H100 S202 K616 S617 | H100-A209 PolarHBondContact CD2-O 3.03Å; S202-A209 CarbonylContact O-C 3.37Å; S202-A209 WeakPolarHBondContact O-CA 3.45Å; S202-A209 VanDerWaalsContact O-CB 3.32Å; S202-A209 WeakPolarHBondContact O-CB 3.48Å; A209-K616 CarbonylContact C-O 3.55Å; A209-K616 HydrophobicContact CB-CB 4.38Å; A209-K616 HydrophobicContact CB-CD 3.35Å; A209-K616 HydrophobicContact CB-CG 3.8Å; A209-K616 CarbonylContact O-C 3.37Å; A209-S617 PolarHBondContact N-O 2.77Å; A209-S617 CarbonylContact O-C 3.35Å |
| 210 | Y | 86.7 | Confident | 83.4 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 12% | 0.122 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.2 | 162.4 | -75.9 | -87.1 | 0 | 0 | 0 | 111.3 | I98 H100 F201 S202 V204 K616 F618 G619 F620 | I98-Y210 HydrophobicContact CG2-CD1 3.53Å; I98-Y210 HydrophobicContact CG2-CE1 4.34Å; I98-Y210 HydrophobicContact CG2-CG 4.29Å; H100-Y210 AromaticContact CD2-CD1 3.49Å; H100-Y210 VanDerWaalsContact CD2-CD1 3.49Å; H100-Y210 WeakPolarHBondContact CD2-CD1 3.01Å; H100-Y210 AromaticContact CD2-CE1 3.2Å; H100-Y210 WeakPolarHBondContact CD2-CE1 3.32Å; H100-Y210 AromaticContact CD2-CE2 3.95Å; H100-Y210 AromaticContact CD2-CZ 3.45Å; H100-Y210 VanDerWaalsContact CD2-CZ 3.45Å; H100-Y210 AromaticContact NE2-CE1 3.8Å; H100-Y210 AromaticContact NE2-CE2 3.36Å; H100-Y210 WeakPolarHBondContact NE2-CE2 3.39Å; H100-Y210 AromaticContact NE2-CZ 3.2Å; H100-Y210 PolarHBondContact NE2-OH 3.27Å; F201-Y210 CarbonylContact C-O 3.53Å; F201-Y210 WeakPolarHBondContact CA-O 3.16Å; S202-Y210 PolarHBondContact N-O 3Å; S202-Y210 PolarHBondContact O-N 3.29Å; V204-Y210 HydrophobicContact CG2-CD2 3.6Å; V204-Y210 HydrophobicContact CG2-CE2 3.76Å; Y210-K616 WeakPolarHBondContact O-CD 3.47Å; Y210-K616 PolarHBondContact O-NZ 2.56Å; Y210-F618 VanDerWaalsContact OH-C 3.26Å; Y210-F618 WeakPolarHBondContact OH-CA 3.48Å; Y210-G619 PolarHBondContact OH-N 2.78Å; Y210-G619 VanDerWaalsContact OH-N 3.09Å; Y210-F620 VanDerWaalsContact OH-CA 3.25Å; Y210-F620 WeakPolarHBondContact OH-CA 3.44Å; Y210-F620 PolarHBondContact OH-N 3.17Å; Y210-F620 VanDerWaalsContact OH-N 3.11Å |
| 211 | L | 83.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.8 | 163.6 | -47 | 93.1 | 0 | 0 | 0 | 107.5 | I98 V99 L180 Y183 T184 P200 I213 K616 | I98-L211 WeakPolarHBondContact CA-O 3.26Å; I98-L211 WeakPolarHBondContact CG2-O 3.33Å; V99-L211 HydrophobicContact CB-CD1 3.91Å; V99-L211 PolarHBondContact N-O 3.41Å; L180-L211 HydrophobicContact CB-CD2 4.4Å; L180-L211 HydrophobicContact CD2-CD1 4.39Å; L180-L211 HydrophobicContact CD2-CD2 4.41Å; L180-L211 WeakPolarHBondContact O-CD2 3.39Å; Y183-L211 VanDerWaalsContact CB-CD2 3.44Å; Y183-L211 HydrophobicContact CG-CD2 4.49Å; T184-L211 HydrophobicContact CG2-CB 3.78Å; T184-L211 HydrophobicContact CG2-CD2 3.91Å; T184-L211 HydrophobicContact CG2-CG 4.05Å; P200-L211 CarbonylContact O-C 2.76Å; P200-L211 WeakPolarHBondContact O-CA 3.5Å; L211-I213 HydrophobicContact CB-CG2 3.6Å; L211-I213 HydrophobicContact CD1-CG2 4.43Å; L211-I213 HydrophobicContact CD2-CG2 3.6Å; L211-I213 HydrophobicContact CG-CG2 4.09Å; L211-K616 HydrophobicContact CB-CD 4.43Å; L211-K616 HydrophobicContact CD1-CB 3.4Å; L211-K616 VanDerWaalsContact CD1-CB 3.4Å; L211-K616 HydrophobicContact CD1-CD 3.55Å; L211-K616 HydrophobicContact CD1-CG 3.47Å; L211-K616 VanDerWaalsContact CD1-CG 3.47Å; L211-K616 HydrophobicContact CG-CB 4.4Å; L211-K616 HydrophobicContact CG-CD 3.62Å; L211-K616 HydrophobicContact CG-CG 4.03Å |
| 212 | D | 85.2 | Confident | 83.5 | Confident | 24 Ų | 24 | 39.6 Ų | 39.6 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.7 | 142.7 | -164.2 | -28.9 | 0 | 0 | 0 | 108.1 | R96 I98 P200 T214 | R96-D212 WeakPolarHBondContact CB-OD2 3.46Å; R96-D212 VanDerWaalsContact CD-OD2 3.32Å; R96-D212 WeakPolarHBondContact CD-OD2 3.48Å; R96-D212 WeakPolarHBondContact CG-OD2 3.28Å; R96-D212 IonicContact CZ-OD2 3.92Å; R96-D212 IonicContact NE-OD1 3.88Å; R96-D212 IonicContact NE-OD2 3.34Å; R96-D212 PolarHBondContact NE-OD2 2.83Å; R96-D212 IonicContact NH2-OD2 3.9Å; I98-D212 HydrophobicContact CD1-CB 3.64Å; I98-D212 VanDerWaalsContact CD1-CG 3.5Å; P200-D212 HydrophobicContact CB-CB 3.75Å; P200-D212 PolarHBondContact O-N 3.21Å; D212-T214 VanDerWaalsContact OD1-CB 3.31Å; D212-T214 WeakPolarHBondContact OD1-CB 3.23Å; D212-T214 PolarHBondContact OD1-N 2.72Å; D212-T214 PolarHBondContact OD1-OG1 2.9Å |
| 213 | I | 87.7 | Confident | 83.4 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | trans | -112.4 | 9.9 | 178.8 | 67.2 | 165.8 | 0 | 0 | 0 | 113.2 | L97 V99 L211 D215 H216 L217 K613 | L97-I213 HydrophobicContact CB-CG1 4.46Å; L97-I213 HydrophobicContact CD2-CD1 3.98Å; L97-I213 HydrophobicContact CD2-CG1 4Å; L97-I213 HydrophobicContact CG-CG1 4.31Å; L97-I213 PolarHBondContact O-N 2.76Å; V99-I213 HydrophobicContact CG2-CD1 3.94Å; V99-I213 HydrophobicContact CG2-CG1 4.1Å; V99-I213 HydrophobicContact CG2-CG2 4.39Å; L211-I213 HydrophobicContact CB-CG2 3.6Å; L211-I213 HydrophobicContact CD1-CG2 4.43Å; L211-I213 HydrophobicContact CD2-CG2 3.6Å; L211-I213 HydrophobicContact CG-CG2 4.09Å; I213-D215 PolarHBondContact O-N 3.03Å; I213-H216 PolarHBondContact O-N 2.87Å; I213-L217 HydrophobicContact CD1-CD1 4.2Å; I213-L217 HydrophobicContact CD1-CD2 4.42Å; I213-L217 HydrophobicContact CD1-CG 4.17Å; I213-L217 HydrophobicContact CG1-CD1 4.33Å; I213-L217 HydrophobicContact CG1-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CG 3.41Å; I213-L217 PolarHBondContact O-N 3.16Å; I213-K613 HydrophobicContact CD1-CD 4.2Å | ||
| 214 | T | 84.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | -173.8 | -75.9 | 0 | 0 | 0 | 0 | 113.2 | S95 R96 L97 D212 H216 L217 V218 | S95-T214 WeakPolarHBondContact O-CG2 3.11Å; R96-T214 WeakPolarHBondContact CA-OG1 3.04Å; L97-T214 PolarHBondContact N-OG1 2.79Å; D212-T214 VanDerWaalsContact OD1-CB 3.31Å; D212-T214 WeakPolarHBondContact OD1-CB 3.23Å; D212-T214 PolarHBondContact OD1-N 2.72Å; D212-T214 PolarHBondContact OD1-OG1 2.9Å; T214-H216 VanDerWaalsContact C-N 3.3Å; T214-H216 PolarHBondContact O-N 3.05Å; T214-L217 WeakPolarHBondContact O-CA 3.48Å; T214-L217 WeakPolarHBondContact O-CB 3.48Å; T214-L217 PolarHBondContact O-N 3.34Å; T214-V218 PolarHBondContact O-N 2.96Å |
| 215 | D | 83.5 | Confident | 83.2 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.3 | -34.5 | -174.3 | -54.3 | -33.3 | 0 | 0 | 0 | 110.1 | R96 I213 L217 V218 D219 | R96-D215 IonicContact CZ-OD1 3.8Å; R96-D215 IonicContact CZ-OD2 2.95Å; R96-D215 IonicContact NH1-OD1 3.79Å; R96-D215 PolarHBondContact NH1-OD1 2.74Å; R96-D215 IonicContact NH1-OD2 3.47Å; R96-D215 PolarHBondContact NH1-OD2 3.36Å; R96-D215 IonicContact NH2-OD2 2.64Å; R96-D215 PolarHBondContact NH2-OD2 2.65Å; R96-D215 VanDerWaalsContact NH2-OD2 3.13Å; I213-D215 PolarHBondContact O-N 3.03Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 2.75Å; D215-V218 PolarHBondContact O-N 3.3Å; D215-D219 PolarHBondContact O-N 2.94Å |
| 216 | H | 84.5 | Confident | 82.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 167.3 | -179.6 | 108.4 | 0 | 0 | 0 | 112.6 | Y183 I213 T214 V218 D219 R220 K613 | Y183-H216 AromaticContact CD1-CE1 3.6Å; Y183-H216 AromaticContact CD1-NE2 3.95Å; Y183-H216 WeakPolarHBondContact O-CB 3.33Å; I213-H216 PolarHBondContact O-N 2.87Å; T214-H216 VanDerWaalsContact C-N 3.3Å; T214-H216 PolarHBondContact O-N 3.05Å; H216-V218 VanDerWaalsContact C-N 3.33Å; H216-D219 PolarHBondContact O-N 2.89Å; H216-R220 WeakPolarHBondContact O-CB 3.25Å; H216-R220 PolarHBondContact O-N 2.6Å; H216-K613 WeakPolarHBondContact CD2-CE 3.18Å; H216-K613 PolarHBondContact CD2-NZ 2.94Å; H216-K613 WeakPolarHBondContact NE2-CE 3.34Å; H216-K613 PolarHBondContact NE2-NZ 2.87Å |
| 217 | L | 82.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -32.8 | 177.1 | -76.8 | -174.8 | 0 | 0 | 0 | 112.3 | L97 I213 T214 D215 C221 | L97-L217 HydrophobicContact CD2-CD1 3.46Å; L97-L217 VanDerWaalsContact CD2-CD1 3.46Å; I213-L217 HydrophobicContact CD1-CD1 4.2Å; I213-L217 HydrophobicContact CD1-CD2 4.42Å; I213-L217 HydrophobicContact CD1-CG 4.17Å; I213-L217 HydrophobicContact CG1-CD1 4.33Å; I213-L217 HydrophobicContact CG1-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CG 3.41Å; I213-L217 PolarHBondContact O-N 3.16Å; T214-L217 WeakPolarHBondContact O-CA 3.48Å; T214-L217 WeakPolarHBondContact O-CB 3.48Å; T214-L217 PolarHBondContact O-N 3.34Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 2.75Å; L217-C221 PolarHBondContact O-N 2.77Å |
| 218 | V | 81 | Confident | 80.7 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -55 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | T214 D215 H216 R220 C221 | T214-V218 PolarHBondContact O-N 2.96Å; D215-V218 PolarHBondContact O-N 3.3Å; H216-V218 VanDerWaalsContact C-N 3.33Å; V218-R220 PolarHBondContact O-N 3.33Å; V218-C221 VanDerWaalsContact O-CB 3.26Å; V218-C221 WeakPolarHBondContact O-CB 3.49Å; V218-C221 PolarHBondContact O-N 3.49Å |
| 219 | D | 82.6 | Confident | 79 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -37.2 | 177.7 | -66.8 | -7.8 | 0 | 0 | 0 | 112.5 | S186 A187 D215 H216 C221 D222 F223 | S186-D219 WeakPolarHBondContact CA-OD2 2.94Å; S186-D219 VanDerWaalsContact CB-OD2 3.28Å; S186-D219 WeakPolarHBondContact CB-OD2 3.06Å; S186-D219 PolarHBondContact OG-OD1 3.06Å; S186-D219 PolarHBondContact OG-OD2 3.01Å; A187-D219 PolarHBondContact N-OD2 3.13Å; D215-D219 PolarHBondContact O-N 2.94Å; H216-D219 PolarHBondContact O-N 2.89Å; D219-C221 PolarHBondContact O-N 3.24Å; D219-D222 PolarHBondContact O-N 3.14Å; D219-D222 VanDerWaalsContact O-N 3.11Å; D219-F223 HydrophobicContact CB-CE1 3.75Å; D219-F223 HydrophobicContact CB-CZ 4.21Å; D219-F223 WeakPolarHBondContact O-CD1 3.42Å; D219-F223 WeakPolarHBondContact O-CE1 3.24Å; D219-F223 PolarHBondContact O-N 2.89Å |
| 220 | R | 83.8 | Confident | 77 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.7 | -10.4 | 179.6 | -169 | 178.8 | -175.7 | 100 | -11.2 | 113.2 | H216 V218 D222 F223 R228 D611 | H216-R220 WeakPolarHBondContact O-CB 3.25Å; H216-R220 PolarHBondContact O-N 2.6Å; V218-R220 PolarHBondContact O-N 3.33Å; R220-D222 VanDerWaalsContact C-N 3.34Å; R220-F223 HydrophobicContact CB-CD2 4.29Å; R220-F223 HydrophobicContact CB-CE2 4.47Å; R220-F223 HydrophobicContact CG-CD2 4.18Å; R220-R228 HydrophobicContact CG-CG 4.19Å; R220-R228 WeakPolarHBondContact O-CD 3.43Å; R220-R228 PolarHBondContact O-NH1 2.76Å; R220-D611 IonicContact NH2-OD1 3.49Å |
| 221 | C | 78.6 | Confident | 74.4 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 165 | -71 | 0 | 0 | 0 | 0 | 110.6 | L217 V218 D219 R228 | L217-C221 PolarHBondContact O-N 2.77Å; V218-C221 VanDerWaalsContact O-CB 3.26Å; V218-C221 WeakPolarHBondContact O-CB 3.49Å; V218-C221 PolarHBondContact O-N 3.49Å; D219-C221 PolarHBondContact O-N 3.24Å; C221-R228 PolarHBondContact O-NH1 3Å |
| 222 | D | 82 | Confident | 71.8 | Confident | 142 Ų | 142 | 73.9 Ų | 73.9 | 76% | 0.759 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -91.1 | -10.6 | -172.4 | -60.1 | -33.3 | 0 | 0 | 0 | 114 | D219 R220 | D219-D222 PolarHBondContact O-N 3.14Å; D219-D222 VanDerWaalsContact O-N 3.11Å; R220-D222 VanDerWaalsContact C-N 3.34Å |
| 223 | F | 80.9 | Confident | 69 | Low | 16 Ų | 16 | 79.1 Ų | 79.1 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -55.7 | 137.4 | 177.1 | -79.6 | 11.6 | 0 | 0 | 0 | 111.9 | D219 R220 R227 R228 | D219-F223 HydrophobicContact CB-CE1 3.75Å; D219-F223 HydrophobicContact CB-CZ 4.21Å; D219-F223 WeakPolarHBondContact O-CD1 3.42Å; D219-F223 WeakPolarHBondContact O-CE1 3.24Å; D219-F223 PolarHBondContact O-N 2.89Å; R220-F223 HydrophobicContact CB-CD2 4.29Å; R220-F223 HydrophobicContact CB-CE2 4.47Å; R220-F223 HydrophobicContact CG-CD2 4.18Å; F223-R227 HydrophobicContact CB-CB 4.32Å; F223-R227 HydrophobicContact CD2-CB 4.29Å; F223-R227 HydrophobicContact CD2-CG 3.74Å; F223-R227 HydrophobicContact CE2-CG 4.15Å; F223-R227 HydrophobicContact CG-CB 4.47Å; F223-R227 HydrophobicContact CG-CG 4.2Å; F223-R228 HydrophobicContact CB-CG 3.78Å; F223-R228 HydrophobicContact CD2-CG 4.37Å; F223-R228 PolarHBondContact O-NE 2.69Å; F223-R228 PolarHBondContact O-NH2 3.32Å |
| 224 | P | 79.7 | Confident | 66.2 | Low | 75 Ų | 75 | 82.9 Ų | 82.9 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | trans | -63.4 | 158.8 | 172.5 | 30.9 | -37 | 0 | 0 | 0 | 110.5 | E226 R227 R228 | P224-E226 WeakPolarHBondContact CB-OE2 3.21Å; P224-E226 PolarHBondContact O-N 3.16Å; P224-R227 HydrophobicContact CG-CB 4Å; P224-R227 PolarHBondContact O-N 3.48Å; P224-R227 VanDerWaalsContact O-N 3.09Å; P224-R228 PolarHBondContact O-N 3.22Å | ||
| 225 | I | 71.5 | Confident | 63.5 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -63.1 | -30.3 | -170.3 | -169.1 | 61 | 0 | 0 | 0 | 111.9 | R228 T229 | I225-R228 CarbonylContact O-C 3.56Å; I225-R228 WeakPolarHBondContact O-CA 3.46Å; I225-R228 PolarHBondContact O-N 3.02Å; I225-R228 VanDerWaalsContact O-N 3.07Å; I225-T229 WeakPolarHBondContact O-CB 3.42Å; I225-T229 PolarHBondContact O-N 3.04Å; I225-T229 PolarHBondContact O-OG1 3.06Å |
| 226 | E | 67.9 | Low | 61 | Low | 136 Ų | 136 | 90.2 Ų | 90.2 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -41.4 | 176.6 | -58.6 | 71.2 | -156.6 | 0 | 0 | 111.2 | P224 R228 T229 | P224-E226 WeakPolarHBondContact CB-OE2 3.21Å; P224-E226 PolarHBondContact O-N 3.16Å; E226-R228 PolarHBondContact O-N 3.03Å; E226-T229 PolarHBondContact O-N 3.49Å |
| 227 | R | 69.7 | Low | 58.4 | Low | 140 Ų | 140 | 92.6 Ų | 92.6 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -3.2 | 176 | -162.7 | 178.4 | 179.9 | -165.4 | -1.1 | 112.8 | F223 P224 F230 | F223-R227 HydrophobicContact CB-CB 4.32Å; F223-R227 HydrophobicContact CD2-CB 4.29Å; F223-R227 HydrophobicContact CD2-CG 3.74Å; F223-R227 HydrophobicContact CE2-CG 4.15Å; F223-R227 HydrophobicContact CG-CB 4.47Å; F223-R227 HydrophobicContact CG-CG 4.2Å; P224-R227 HydrophobicContact CG-CB 4Å; P224-R227 PolarHBondContact O-N 3.48Å; P224-R227 VanDerWaalsContact O-N 3.09Å; R227-F230 WeakPolarHBondContact O-CE2 2.97Å |
| 228 | R | 63.3 | Low | 56.1 | Low | 92 Ų | 92 | 92.4 Ų | 92.4 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -12.8 | 173.3 | -62.9 | -172.2 | -80.4 | -163.8 | -0.9 | 113.3 | R220 C221 F223 P224 I225 E226 F230 | R220-R228 HydrophobicContact CG-CG 4.19Å; R220-R228 WeakPolarHBondContact O-CD 3.43Å; R220-R228 PolarHBondContact O-NH1 2.76Å; C221-R228 PolarHBondContact O-NH1 3Å; F223-R228 HydrophobicContact CB-CG 3.78Å; F223-R228 HydrophobicContact CD2-CG 4.37Å; F223-R228 PolarHBondContact O-NE 2.69Å; F223-R228 PolarHBondContact O-NH2 3.32Å; P224-R228 PolarHBondContact O-N 3.22Å; I225-R228 CarbonylContact O-C 3.56Å; I225-R228 WeakPolarHBondContact O-CA 3.46Å; I225-R228 PolarHBondContact O-N 3.02Å; I225-R228 VanDerWaalsContact O-N 3.07Å; E226-R228 PolarHBondContact O-N 3.03Å; R228-F230 PolarHBondContact O-N 3.47Å; R228-F230 VanDerWaalsContact O-N 3.09Å |
| 229 | T | 53.5 | Low | 54.2 | Low | 66 Ų | 66 | 92.3 Ų | 92.3 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | trans | -77.9 | 97.1 | -174.9 | -68.5 | 0 | 0 | 0 | 0 | 109.8 | I225 E226 | I225-T229 WeakPolarHBondContact O-CB 3.42Å; I225-T229 PolarHBondContact O-N 3.04Å; I225-T229 PolarHBondContact O-OG1 3.06Å; E226-T229 PolarHBondContact O-N 3.49Å | ||
| 230 | F | 44.3 | Very low | 52.1 | Low | 88 Ų | 88 | 93.7 Ų | 93.7 | 39% | 0.386 | 52% | 0.518 | S | S | . | . | trans | -138.4 | 117.1 | -172.4 | -74.3 | -44.2 | 0 | 0 | 0 | 107.5 | R227 R228 P232 F610 | R227-F230 WeakPolarHBondContact O-CE2 2.97Å; R228-F230 PolarHBondContact O-N 3.47Å; R228-F230 VanDerWaalsContact O-N 3.09Å; F230-P232 WeakPolarHBondContact O-CA 3.4Å; F230-F610 HydrophobicContact CB-CB 3.91Å; F230-F610 HydrophobicContact CB-CD1 3.39Å; F230-F610 HydrophobicContact CB-CE1 4.06Å; F230-F610 HydrophobicContact CB-CG 3.89Å; F230-F610 AromaticContact CD1-CD1 3.65Å; F230-F610 HydrophobicContact CD1-CD1 3.65Å; F230-F610 AromaticContact CD1-CE1 3.56Å; F230-F610 HydrophobicContact CD1-CE1 3.56Å; F230-F610 HydrophobicContact CE1-CE1 4.45Å; F230-F610 AromaticContact CG-CD1 3.83Å; F230-F610 HydrophobicContact CG-CD1 3.83Å; F230-F610 HydrophobicContact CG-CE1 4.21Å | ||
| 231 | W | 31.2 | Very low | 51 | Low | 183 Ų | 183 | 95 Ų | 95 | 69% | 0.693 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -102.1 | 102.9 | -151.6 | -86.1 | 107.2 | 0 | 0 | 0 | 116.4 | N609 F610 | W231-N609 WeakPolarHBondContact O-CB 2.82Å; W231-N609 PolarHBondContact O-ND2 3.36Å; W231-F610 HydrophobicContact CB-CD2 4.1Å; W231-F610 HydrophobicContact CB-CE2 3.83Å; W231-F610 HydrophobicContact CB-CZ 4.48Å; W231-F610 WeakPolarHBondContact O-CD2 3.43Å; W231-F610 WeakPolarHBondContact O-CE2 3.32Å |
| 232 | P | 28.9 | Very low | 50 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | -135.1 | 158.1 | -57.6 | 39.2 | -26.1 | 0 | 0 | 0 | 114.3 | F230 N609 | F230-P232 WeakPolarHBondContact O-CA 3.4Å; P232-N609 CarbonylContact C-O 3.39Å; P232-N609 VanDerWaalsContact O-O 3.12Å | |||
| 233 | R | 27.4 | Very low | 49.3 | Very low | 134 Ų | 134 | 89.6 Ų | 89.6 | 51% | 0.506 | 50% | 0.498 | S | S | . | . | trans | 171.3 | 117.7 | 135.1 | -96.4 | 171.4 | -84 | -166.7 | -1.5 | 119.5 | N608 N609 F610 | R233-N608 HydrophobicContact CB-CB 4.05Å; R233-N608 WeakPolarHBondContact CD-OD1 3.46Å; R233-N608 PolarHBondContact NE-OD1 2.77Å; R233-N608 VanDerWaalsContact NE-OD1 3.09Å; R233-N608 PolarHBondContact NH1-OD1 2.8Å; R233-N609 PolarHBondContact N-O 3Å; R233-F610 PolarHBondContact N-O 2.83Å | ||
| 234 | S | 27.7 | Very low | 48.5 | Very low | 90 Ų | 90 | 92 Ų | 92 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | 96.7 | 111.1 | 118.5 | -63.9 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 235 | A | 28.8 | Very low | 47.9 | Very low | 99 Ų | 99 | 89.2 Ų | 89.2 | 82% | 0.818 | 49% | 0.49 | S | S | * | . | 75.3 | 128 | 123 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 236 | P | 30.3 | Very low | 47.9 | Very low | 138 Ų | 138 | 84.5 Ų | 84.5 | 90% | 0.896 | 47% | 0.466 | S | S | * | . | trans | -125.3 | 174.3 | 177.1 | 43.4 | -32.3 | 0 | 0 | 0 | 118.2 | ||||
| 237 | G | 30.4 | Very low | 48.2 | Very low | 62 Ų | 62 | 82.8 Ų | 82.8 | 64% | 0.639 | 46% | 0.456 | S | S | * | . | trans | 141.6 | 140.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 238 | A | 34 | Very low | 48.2 | Very low | 65 Ų | 65 | 77.2 Ų | 77.2 | 54% | 0.537 | 44% | 0.437 | S | S | . | . | trans | -152.8 | -123.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | D248 | A238-D248 WeakPolarHBondContact CA-OD1 3.19Š| ||
| 239 | P | 42.4 | Very low | 48.8 | Very low | 87 Ų | 87 | 73.5 Ų | 73.5 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | -130.7 | 166.3 | -114.9 | 39.3 | -21.2 | 0 | 0 | 0 | 119.6 | |||||
| 240 | M | 38.4 | Very low | 50.1 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 30% | 0.296 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -167.3 | 122.1 | 169.9 | -116.8 | -88.3 | 78.5 | 0 | 0 | 116.2 | R92 H244 | R92-M240 PolarHBondContact NH1-SD 3.32Å; M240-H244 HydrophobicContact CB-CB 4.18Å; M240-H244 WeakPolarHBondContact CB-ND1 3.34Å; M240-H244 CarbonylContact O-C 3.01Å; M240-H244 WeakPolarHBondContact O-CA 3.47Å; M240-H244 WeakPolarHBondContact O-CB 3.39Å; M240-H244 PolarHBondContact O-CD2 3.05Å; M240-H244 VanDerWaalsContact O-CD2 3.27Å; M240-H244 PolarHBondContact O-N 3.3Å |
| 241 | L | 60.4 | Low | 51.6 | Low | 68 Ų | 68 | 78.6 Ų | 78.6 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | -77.3 | -49.3 | -99.5 | -175.3 | 57.5 | 0 | 0 | 0 | 115.6 | I245 W579 | L241-I245 HydrophobicContact CD1-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CB 3.25Å; L241-I245 WeakPolarHBondContact O-CB 3.36Å; L241-I245 WeakPolarHBondContact O-CD1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.12Å; L241-I245 PolarHBondContact O-N 2.6Å; L241-W579 HydrophobicContact CD2-CH2 3.68Å; L241-W579 HydrophobicContact CD2-CZ3 4.32Å; L241-W579 HydrophobicContact CG-CH2 4.38Å | |
| 242 | A | 58.1 | Low | 53.8 | Low | 35 Ų | 35 | 74 Ų | 74 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -56.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H244 I245 L246 | A242-H244 VanDerWaalsContact C-N 3.28Å; A242-H244 PolarHBondContact O-N 2.96Å; A242-I245 WeakPolarHBondContact O-CA 2.78Å; A242-I245 WeakPolarHBondContact O-CB 3.29Å; A242-I245 PolarHBondContact O-N 3.22Å; A242-L246 PolarHBondContact O-N 2.96Å |
| 243 | D | 66 | Low | 56.2 | Low | 80 Ų | 80 | 72 Ų | 72 | 43% | 0.428 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.5 | -13.1 | 173.7 | -82.5 | -30.1 | 0 | 0 | 0 | 113.4 | K247 R575 | D243-K247 VanDerWaalsContact O-CB 3.22Å; D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 PolarHBondContact O-N 3.34Å; D243-R575 IonicContact OD1-CZ 3.22Å; D243-R575 VanDerWaalsContact OD1-CZ 3.31Å; D243-R575 IonicContact OD1-NE 2.81Å; D243-R575 PolarHBondContact OD1-NE 3.46Å; D243-R575 IonicContact OD1-NH2 2.69Å; D243-R575 PolarHBondContact OD1-NH2 3.1Å; D243-R575 VanDerWaalsContact OD1-NH2 3.1Å; D243-R575 IonicContact OD2-CZ 3.37Å; D243-R575 IonicContact OD2-NE 3.57Å; D243-R575 IonicContact OD2-NH2 3.35Å; D243-R575 PolarHBondContact OD2-NH2 2.73Å |
| 244 | H | 65.7 | Low | 58.5 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 30% | 0.301 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -103.9 | 21.3 | 150.8 | -30.5 | -170.3 | 0 | 0 | 0 | 115.5 | M240 A242 K247 D248 | M240-H244 HydrophobicContact CB-CB 4.18Å; M240-H244 WeakPolarHBondContact CB-ND1 3.34Å; M240-H244 CarbonylContact O-C 3.01Å; M240-H244 WeakPolarHBondContact O-CA 3.47Å; M240-H244 WeakPolarHBondContact O-CB 3.39Å; M240-H244 PolarHBondContact O-CD2 3.05Å; M240-H244 VanDerWaalsContact O-CD2 3.27Å; M240-H244 PolarHBondContact O-N 3.3Å; A242-H244 VanDerWaalsContact C-N 3.28Å; A242-H244 PolarHBondContact O-N 2.96Å; H244-K247 HydrophobicContact CB-CB 3.8Å; H244-D248 WeakPolarHBondContact O-CB 3.32Å; H244-D248 PolarHBondContact O-N 2.64Å |
| 245 | I | 65.8 | Low | 61.2 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.9 | -45.9 | 140.1 | -90.2 | 156.3 | 0 | 0 | 0 | 105.5 | L241 A242 L249 I588 M591 | L241-I245 HydrophobicContact CD1-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CB 3.25Å; L241-I245 WeakPolarHBondContact O-CB 3.36Å; L241-I245 WeakPolarHBondContact O-CD1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.12Å; L241-I245 PolarHBondContact O-N 2.6Å; A242-I245 WeakPolarHBondContact O-CA 2.78Å; A242-I245 WeakPolarHBondContact O-CB 3.29Å; A242-I245 PolarHBondContact O-N 3.22Å; I245-L249 HydrophobicContact CG2-CD1 3.62Å; I245-L249 HydrophobicContact CG2-CG 4.38Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 WeakPolarHBondContact O-CD1 3.32Å; I245-L249 WeakPolarHBondContact O-CG 3.47Å; I245-L249 PolarHBondContact O-N 2.62Å; I245-I588 HydrophobicContact CD1-CD1 4.45Å; I245-I588 HydrophobicContact CD1-CG1 3.51Å; I245-I588 HydrophobicContact CG1-CG1 4.23Å; I245-M591 HydrophobicContact CG2-CB 3.35Å; I245-M591 HydrophobicContact CG2-CG 3.58Å |
| 246 | L | 71.3 | Confident | 63.7 | Low | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.8 | -68.2 | 174.7 | 0 | 0 | 0 | 113.3 | A242 R250 I572 M591 L595 | A242-L246 PolarHBondContact O-N 2.96Å; L246-R250 WeakPolarHBondContact O-CB 3.3Å; L246-R250 WeakPolarHBondContact O-CD 3.34Å; L246-R250 WeakPolarHBondContact O-CG 3.48Å; L246-R250 PolarHBondContact O-N 3.4Å; L246-I572 HydrophobicContact CD1-CG2 4.12Å; L246-M591 HydrophobicContact CD1-SD 4.12Å; L246-M591 HydrophobicContact CD2-CB 3.96Å; L246-M591 HydrophobicContact CD2-CG 4.26Å; L246-M591 HydrophobicContact CD2-SD 3.8Å; L246-M591 HydrophobicContact CG-CG 4.47Å; L246-M591 HydrophobicContact CG-SD 3.94Å; L246-L595 HydrophobicContact CB-CD1 4.41Å; L246-L595 HydrophobicContact CD2-CD1 3.6Å; L246-L595 HydrophobicContact CD2-CD2 4.18Å; L246-L595 HydrophobicContact CD2-CG 3.75Å; L246-L595 WeakPolarHBondContact O-CD1 3.31Å |
| 247 | K | 73.8 | Confident | 66.4 | Low | 100 Ų | 100 | 67.7 Ų | 67.7 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 176.6 | -176.5 | 179.5 | 170.5 | -178.3 | 0 | 113.3 | D243 H244 R250 Q251 | D243-K247 VanDerWaalsContact O-CB 3.22Å; D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 PolarHBondContact O-N 3.34Å; H244-K247 HydrophobicContact CB-CB 3.8Å; K247-R250 PolarHBondContact O-N 2.98Å; K247-Q251 WeakPolarHBondContact O-CB 3.3Å; K247-Q251 VanDerWaalsContact O-CG 3.26Å; K247-Q251 WeakPolarHBondContact O-CG 3.34Å; K247-Q251 PolarHBondContact O-N 2.98Å; K247-Q251 PolarHBondContact O-OE1 2.82Å |
| 248 | D | 71 | Confident | 69.3 | Low | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.1 | -179.8 | 78 | 0 | 0 | 0 | 111.4 | A238 H244 Q251 K252 | A238-D248 WeakPolarHBondContact CA-OD1 3.19Å; H244-D248 WeakPolarHBondContact O-CB 3.32Å; H244-D248 PolarHBondContact O-N 2.64Å; D248-Q251 CarbonylContact O-C 2.77Å; D248-Q251 PolarHBondContact O-N 3.24Å; D248-K252 WeakPolarHBondContact O-CB 3.38Å; D248-K252 VanDerWaalsContact O-CG 3.28Å; D248-K252 WeakPolarHBondContact O-CG 2.97Å; D248-K252 PolarHBondContact O-N 2.84Å; D248-K252 WeakPolarHBondContact OD1-CE 3.41Å; D248-K252 IonicContact OD1-NZ 2.62Å; D248-K252 PolarHBondContact OD1-NZ 2.93Å; D248-K252 WeakPolarHBondContact OD2-CD 3.33Å; D248-K252 WeakPolarHBondContact OD2-CE 3.19Å; D248-K252 IonicContact OD2-NZ 2.64Å; D248-K252 PolarHBondContact OD2-NZ 3.33Å |
| 249 | L | 75.9 | Confident | 72.1 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174 | -69.5 | 171.7 | 0 | 0 | 0 | 111.7 | I245 Q251 K252 R253 M591 R592 L595 H597 | I245-L249 HydrophobicContact CG2-CD1 3.62Å; I245-L249 HydrophobicContact CG2-CG 4.38Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 WeakPolarHBondContact O-CD1 3.32Å; I245-L249 WeakPolarHBondContact O-CG 3.47Å; I245-L249 PolarHBondContact O-N 2.62Å; L249-Q251 VanDerWaalsContact C-N 3.31Å; L249-Q251 PolarHBondContact O-N 2.73Å; L249-K252 CarbonylContact O-C 3.35Å; L249-K252 PolarHBondContact O-N 2.69Å; L249-R253 WeakPolarHBondContact O-CG 3.48Å; L249-R253 PolarHBondContact O-N 3.11Å; L249-M591 HydrophobicContact CD1-CB 4.16Å; L249-R592 HydrophobicContact CD1-CB 4.35Å; L249-R592 HydrophobicContact CD1-CG 3.61Å; L249-R592 HydrophobicContact CD2-CG 3.68Å; L249-R592 HydrophobicContact CG-CG 4.32Å; L249-L595 HydrophobicContact CB-CD1 3.55Å; L249-L595 HydrophobicContact CD1-CD1 4.19Å; L249-H597 PolarHBondContact O-CD2 3.16Å |
| 250 | R | 79.8 | Confident | 74.7 | Confident | 126 Ų | 126 | 58 Ų | 58 | 48% | 0.475 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 173.5 | -79.8 | 166.3 | 175.8 | 155.1 | -2.3 | 111.6 | L246 K247 K252 R253 L595 | L246-R250 WeakPolarHBondContact O-CB 3.3Å; L246-R250 WeakPolarHBondContact O-CD 3.34Å; L246-R250 WeakPolarHBondContact O-CG 3.48Å; L246-R250 PolarHBondContact O-N 3.4Å; K247-R250 PolarHBondContact O-N 2.98Å; R250-K252 VanDerWaalsContact C-N 3.3Å; R250-K252 PolarHBondContact O-N 2.92Å; R250-R253 PolarHBondContact O-N 3.19Å; R250-L595 HydrophobicContact CG-CD1 4.01Å; R250-L595 HydrophobicContact CG-CD2 3.94Å |
| 251 | Q | 76.5 | Confident | 77.6 | Confident | 135 Ų | 135 | 55.1 Ų | 55.1 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.1 | -24.8 | 174.9 | -72.1 | 173.5 | -55.1 | 0 | 0 | 113.1 | K247 D248 L249 | K247-Q251 WeakPolarHBondContact O-CB 3.3Å; K247-Q251 VanDerWaalsContact O-CG 3.26Å; K247-Q251 WeakPolarHBondContact O-CG 3.34Å; K247-Q251 PolarHBondContact O-N 2.98Å; K247-Q251 PolarHBondContact O-OE1 2.82Å; D248-Q251 CarbonylContact O-C 2.77Å; D248-Q251 PolarHBondContact O-N 3.24Å; L249-Q251 VanDerWaalsContact C-N 3.31Å; L249-Q251 PolarHBondContact O-N 2.73Å |
| 252 | K | 77 | Confident | 79.3 | Confident | 88 Ų | 88 | 52 Ų | 52 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -91.5 | -9.7 | 178.3 | -74.2 | 168.7 | -179.7 | 166.7 | 0 | 114.6 | D248 L249 R250 R254 | D248-K252 WeakPolarHBondContact O-CB 3.38Å; D248-K252 VanDerWaalsContact O-CG 3.28Å; D248-K252 WeakPolarHBondContact O-CG 2.97Å; D248-K252 PolarHBondContact O-N 2.84Å; D248-K252 WeakPolarHBondContact OD1-CE 3.41Å; D248-K252 IonicContact OD1-NZ 2.62Å; D248-K252 PolarHBondContact OD1-NZ 2.93Å; D248-K252 WeakPolarHBondContact OD2-CD 3.33Å; D248-K252 WeakPolarHBondContact OD2-CE 3.19Å; D248-K252 IonicContact OD2-NZ 2.64Å; D248-K252 PolarHBondContact OD2-NZ 3.33Å; L249-K252 CarbonylContact O-C 3.35Å; L249-K252 PolarHBondContact O-N 2.69Å; R250-K252 VanDerWaalsContact C-N 3.3Å; R250-K252 PolarHBondContact O-N 2.92Å; K252-R254 PolarHBondContact O-N 2.81Å |
| 253 | R | 79.4 | Confident | 81.1 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | trans | -60.2 | 120.5 | 170.6 | -70.1 | 168.5 | 102.8 | 176 | 18.5 | 109.6 | L249 R250 F255 S534 V537 D538 L595 | L249-R253 WeakPolarHBondContact O-CG 3.48Å; L249-R253 PolarHBondContact O-N 3.11Å; R250-R253 PolarHBondContact O-N 3.19Å; R253-F255 HydrophobicContact CB-CD2 4.27Å; R253-F255 HydrophobicContact CB-CE2 3.54Å; R253-F255 HydrophobicContact CB-CZ 3.94Å; R253-F255 HydrophobicContact CG-CE2 4.45Å; R253-F255 HydrophobicContact CG-CZ 4.45Å; R253-S534 PolarHBondContact NH1-OG 3.29Å; R253-V537 VanDerWaalsContact NH2-CG1 3.32Å; R253-D538 IonicContact CZ-OD1 2.69Å; R253-D538 IonicContact CZ-OD2 3.66Å; R253-D538 IonicContact NH1-OD1 3.81Å; R253-D538 PolarHBondContact NH1-OD1 3.34Å; R253-D538 IonicContact NH1-OD2 3.44Å; R253-D538 PolarHBondContact NH1-OD2 2.99Å; R253-D538 IonicContact NH2-OD1 3.6Å; R253-D538 PolarHBondContact NH2-OD1 2.89Å; R253-D538 IonicContact NH2-OD2 3.72Å; R253-L595 VanDerWaalsContact CZ-O 3.3Å; R253-L595 PolarHBondContact NE-O 2.91Å; R253-L595 PolarHBondContact NH2-O 3.43Å | ||
| 254 | R | 75 | Confident | 82.6 | Confident | 161 Ų | 161 | 47 Ų | 47 | 61% | 0.608 | 21% | 0.214 | S | C | * | . | trans | -99.7 | 128.6 | 172.2 | -64.6 | -179 | 177.9 | -175.2 | -2.9 | 108.8 | K252 | K252-R254 PolarHBondContact O-N 2.81Š| ||
| 255 | F | 84.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 23% | 0.232 | 20% | 0.201 | C | C | . | . | trans | -115.9 | -8.9 | 177.6 | -65.3 | -80.5 | 0 | 0 | 0 | 112.9 | R253 R257 P510 N532 T533 V537 | R253-F255 HydrophobicContact CB-CD2 4.27Å; R253-F255 HydrophobicContact CB-CE2 3.54Å; R253-F255 HydrophobicContact CB-CZ 3.94Å; R253-F255 HydrophobicContact CG-CE2 4.45Å; R253-F255 HydrophobicContact CG-CZ 4.45Å; F255-R257 PolarHBondContact O-N 3.15Å; F255-R257 VanDerWaalsContact O-N 3.13Å; F255-P510 HydrophobicContact CD1-CB 3.81Å; F255-P510 HydrophobicContact CD1-CG 3.87Å; F255-P510 HydrophobicContact CE1-CB 4.46Å; F255-P510 HydrophobicContact CE1-CG 4.08Å; F255-N532 WeakPolarHBondContact O-CB 3.31Å; F255-T533 VanDerWaalsContact CE1-C 3.4Å; F255-T533 VanDerWaalsContact CE1-O 3.31Å; F255-T533 WeakPolarHBondContact CE1-O 3.34Å; F255-V537 HydrophobicContact CE1-CG2 4.07Å | ||
| 256 | S | 82.3 | Confident | 85.2 | Confident | 102 Ų | 102 | 43.6 Ų | 43.6 | 71% | 0.713 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -76.8 | 12.1 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 257 | R | 86.4 | Confident | 86.4 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | trans | -126.6 | 148.6 | -179 | -77.1 | 178.8 | 167.8 | -162 | -8.9 | 109.6 | F255 I259 D373 T375 P510 N532 T604 | F255-R257 PolarHBondContact O-N 3.15Å; F255-R257 VanDerWaalsContact O-N 3.13Å; R257-I259 HydrophobicContact CB-CD1 4.48Å; R257-D373 WeakPolarHBondContact CD-OD2 3.14Å; R257-D373 WeakPolarHBondContact CG-OD2 3.4Å; R257-D373 IonicContact CZ-OD2 2.97Å; R257-D373 IonicContact NE-OD2 3.86Å; R257-D373 PolarHBondContact NE-OD2 3.35Å; R257-D373 IonicContact NH1-OD2 2.62Å; R257-T375 VanDerWaalsContact CA-OG1 3.32Å; R257-T375 WeakPolarHBondContact CA-OG1 3.41Å; R257-P510 WeakPolarHBondContact O-CA 3.44Å; R257-N532 PolarHBondContact O-ND2 3.29Å; R257-T604 VanDerWaalsContact CZ-OG1 3.31Å; R257-T604 VanDerWaalsContact NH1-CG2 3.26Å; R257-T604 PolarHBondContact NH1-OG1 3.26Å; R257-T604 PolarHBondContact NH2-OG1 2.75Å | ||
| 258 | L | 91.6 | Very high | 87.5 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | trans | -117.8 | 107.8 | 169.2 | -172.8 | 75.7 | 0 | 0 | 0 | 110.6 | I374 T375 L378 A485 L508 | L258-I374 HydrophobicContact CB-CG1 4.47Å; L258-I374 HydrophobicContact CD2-CD1 3.87Å; L258-I374 HydrophobicContact CD2-CG1 3.89Å; L258-I374 HydrophobicContact CG-CG1 4.39Å; L258-I374 PolarHBondContact O-N 2.94Å; L258-I374 VanDerWaalsContact O-N 3.09Å; L258-T375 PolarHBondContact N-OG1 3.21Å; L258-L378 HydrophobicContact CD2-CD1 3.53Å; L258-A485 HydrophobicContact CD2-CB 3.38Å; L258-L508 HydrophobicContact CD1-CB 4.3Å; L258-L508 HydrophobicContact CD2-CD2 4.42Å | ||
| 259 | I | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.8 | 175.1 | -53.7 | -48.7 | 0 | 0 | 0 | 109.3 | R257 Y371 L372 D373 L508 G509 T512 A515 L603 | R257-I259 HydrophobicContact CB-CD1 4.48Å; I259-Y371 HydrophobicContact CG2-CD1 4.1Å; I259-L372 CarbonylContact C-O 3.36Å; I259-L372 WeakPolarHBondContact CA-O 3.4Å; I259-D373 HydrophobicContact CD1-CB 3.59Å; I259-D373 VanDerWaalsContact CD1-CG 3.48Å; I259-D373 WeakPolarHBondContact CD1-OD2 3.15Å; I259-L508 WeakPolarHBondContact O-CA 2.91Å; I259-G509 PolarHBondContact N-O 3.46Å; I259-G509 PolarHBondContact O-N 2.85Å; I259-G509 VanDerWaalsContact O-O 3.14Å; I259-T512 HydrophobicContact CG2-CG2 3.85Å; I259-A515 HydrophobicContact CB-CB 4.37Å; I259-A515 HydrophobicContact CG2-CB 4.06Å; I259-L603 HydrophobicContact CD1-CD2 3.89Å; I259-L603 HydrophobicContact CG1-CD2 4.49Å; I259-L603 HydrophobicContact CG2-CD2 3.87Å |
| 260 | V | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.2 | 170.5 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | V262 Y371 L372 I374 V489 A506 G507 L508 | V260-V262 HydrophobicContact CG1-CG2 3.87Å; V260-Y371 CarbonylContact O-C 3.56Å; V260-Y371 VanDerWaalsContact O-CA 3.29Å; V260-Y371 WeakPolarHBondContact O-CA 3.44Å; V260-L372 HydrophobicContact CB-CB 4.42Å; V260-L372 HydrophobicContact CB-CD1 4.26Å; V260-L372 PolarHBondContact N-O 2.85Å; V260-L372 PolarHBondContact O-N 2.17Å; V260-I374 HydrophobicContact CG2-CD1 3.68Å; V260-I374 HydrophobicContact CG2-CG1 3.89Å; V260-I374 HydrophobicContact CG2-CG2 4.07Å; V260-V489 HydrophobicContact CB-CG2 4.41Å; V260-V489 HydrophobicContact CG1-CG1 4.26Å; V260-V489 HydrophobicContact CG1-CG2 3.83Å; V260-V489 HydrophobicContact CG2-CG2 3.64Å; V260-A506 HydrophobicContact CG1-CB 4.33Å; V260-G507 CarbonylContact C-O 3.29Å; V260-G507 WeakPolarHBondContact CA-O 3.2Å; V260-L508 HydrophobicContact CG2-CG 4.36Å |
| 261 | H | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.1 | 162.6 | -176.7 | -105.2 | 0 | 0 | 0 | 108.9 | D263 E369 A370 Y371 A506 G507 A515 S519 | H261-D263 IonicContact CE1-OD2 2.77Å; H261-E369 IonicContact CE1-OE2 3.86Å; H261-E369 IonicContact NE2-OE2 3.2Å; H261-E369 PolarHBondContact NE2-OE2 3.3Å; H261-A370 CarbonylContact C-O 3.41Å; H261-A370 WeakPolarHBondContact CA-O 3.09Å; H261-A370 PolarHBondContact CD2-O 2.95Å; H261-Y371 HydrophobicContact CB-CD1 3.72Å; H261-Y371 HydrophobicContact CB-CE1 3.69Å; H261-Y371 AromaticContact CD2-CD1 3.54Å; H261-Y371 AromaticContact CD2-CD2 3.95Å; H261-Y371 AromaticContact CD2-CE1 3.26Å; H261-Y371 WeakPolarHBondContact CD2-CE1 3.4Å; H261-Y371 AromaticContact CD2-CE2 3.71Å; H261-Y371 AromaticContact CD2-CG 3.88Å; H261-Y371 AromaticContact CD2-CZ 3.37Å; H261-Y371 AromaticContact CG-CD1 3.99Å; H261-Y371 AromaticContact CG-CE1 3.7Å; H261-A506 CarbonylContact O-C 3.55Å; H261-A506 WeakPolarHBondContact O-CA 3.23Å; H261-G507 PolarHBondContact N-O 3.24Å; H261-G507 PolarHBondContact O-N 2.9Å; H261-A515 HydrophobicContact CB-CB 3.93Å; H261-S519 PolarHBondContact ND1-OG 2.76Å |
| 262 | V | 97.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.5 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V260 L341 E369 A370 L372 C504 S505 A506 | V260-V262 HydrophobicContact CG1-CG2 3.87Å; V262-L341 HydrophobicContact CB-CD1 4.12Å; V262-L341 HydrophobicContact CG1-CD1 4.12Å; V262-L341 HydrophobicContact CG1-CD2 4.49Å; V262-L341 HydrophobicContact CG2-CD1 4.35Å; V262-L341 HydrophobicContact CG2-CD2 4.08Å; V262-E369 CarbonylContact O-C 3.57Å; V262-E369 VanDerWaalsContact O-CA 3.29Å; V262-E369 WeakPolarHBondContact O-CA 3.38Å; V262-A370 PolarHBondContact N-O 2.96Å; V262-A370 PolarHBondContact O-N 2.89Å; V262-L372 HydrophobicContact CG2-CD1 3.8Å; V262-C504 HydrophobicContact CG1-CB 3.9Å; V262-S505 WeakPolarHBondContact CA-O 3.4Å; V262-A506 HydrophobicContact CG2-CB 4.43Å |
| 263 | D | 96.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 119.5 | -175 | -169.5 | -74 | 0 | 0 | 0 | 110.6 | H261 D368 E369 C504 S505 K523 | H261-D263 IonicContact CE1-OD2 2.77Å; D263-D368 CarbonylContact C-O 3.32Å; D263-D368 WeakPolarHBondContact CA-O 3.31Å; D263-E369 HydrophobicContact CB-CG 4.42Å; D263-E369 WeakPolarHBondContact OD2-CG 3.42Å; D263-C504 CarbonylContact O-C 3.46Å; D263-C504 VanDerWaalsContact O-CA 3.28Å; D263-C504 WeakPolarHBondContact O-CA 3.35Å; D263-C504 VanDerWaalsContact O-CB 3.31Å; D263-C504 WeakPolarHBondContact O-CB 3.4Å; D263-S505 PolarHBondContact N-O 3.37Å; D263-S505 PolarHBondContact O-N 2.66Å; D263-K523 WeakPolarHBondContact OD1-CE 3.44Å; D263-K523 IonicContact OD1-NZ 3.83Å; D263-K523 PolarHBondContact OD1-NZ 3.13Å; D263-K523 WeakPolarHBondContact OD2-CE 3.27Å; D263-K523 IonicContact OD2-NZ 2.69Å; D263-K523 PolarHBondContact OD2-NZ 2.78Å |
| 264 | M | 97 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.5 | -175.1 | -64.1 | -61.7 | -56.6 | 0 | 0 | 112 | A266 F267 V337 D368 V496 L502 T503 C504 | M264-A266 PolarHBondContact O-N 2.8Å; M264-F267 HydrophobicContact CB-CB 3.76Å; M264-F267 HydrophobicContact CB-CD2 3.51Å; M264-F267 HydrophobicContact CB-CE2 4.34Å; M264-F267 HydrophobicContact CB-CG 3.83Å; M264-F267 HydrophobicContact CE-CD2 4.24Å; M264-F267 HydrophobicContact CE-CE2 4.38Å; M264-F267 HydrophobicContact CG-CD2 3.92Å; M264-F267 HydrophobicContact CG-CE2 4.27Å; M264-F267 HydrophobicContact CG-CG 4.49Å; M264-F267 PolarHBondContact O-N 2.98Å; M264-V337 HydrophobicContact CE-CG2 3.86Å; M264-V337 HydrophobicContact CG-CG1 4.31Å; M264-V337 HydrophobicContact CG-CG2 4.33Å; M264-V337 HydrophobicContact SD-CB 4.36Å; M264-V337 HydrophobicContact SD-CG1 3.66Å; M264-V337 HydrophobicContact SD-CG2 3.69Å; M264-D368 HydrophobicContact CB-CB 3.86Å; M264-D368 WeakPolarHBondContact CG-O 3.23Å; M264-D368 PolarHBondContact N-O 3.06Å; M264-V496 HydrophobicContact CE-CG1 3.91Å; M264-V496 HydrophobicContact SD-CG1 3.87Å; M264-L502 HydrophobicContact CE-CB 3.46Å; M264-L502 VanDerWaalsContact CE-CB 3.46Å; M264-L502 HydrophobicContact CE-CD1 4.18Å; M264-L502 HydrophobicContact CE-CG 4.47Å; M264-T503 WeakPolarHBondContact CE-O 3.26Å; M264-C504 HydrophobicContact CE-CB 4.46Å; M264-C504 HydrophobicContact SD-CB 3.64Å |
| 265 | D | 93.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 105.8 | -168.7 | -87.8 | -53.7 | 0 | 0 | 0 | 113.9 | F267 A270 Y297 T503 P524 C525 | D265-F267 PolarHBondContact O-N 2.82Å; D265-F267 VanDerWaalsContact O-N 3.14Å; D265-A270 VanDerWaalsContact O-CB 3.3Å; D265-A270 WeakPolarHBondContact O-CB 3.42Å; D265-Y297 HydrophobicContact CB-CE2 3.93Å; D265-Y297 PolarHBondContact OD1-OH 3.16Å; D265-T503 VanDerWaalsContact CB-OG1 3.29Å; D265-T503 WeakPolarHBondContact CB-OG1 3.37Å; D265-T503 PolarHBondContact N-O 3.09Å; D265-T503 WeakPolarHBondContact OD2-CB 3.4Å; D265-T503 PolarHBondContact OD2-OG1 2.71Å; D265-P524 WeakPolarHBondContact OD1-CA 3.24Å; D265-P524 WeakPolarHBondContact OD1-CB 3.49Å; D265-C525 PolarHBondContact OD1-N 2.72Å; D265-C525 VanDerWaalsContact OD2-CA 3.31Å; D265-C525 WeakPolarHBondContact OD2-CA 3.41Å; D265-C525 PolarHBondContact OD2-N 2.71Å |
| 266 | A | 92.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 38 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M264 Y268 A269 A270 T294 S295 Y297 | M264-A266 PolarHBondContact O-N 2.8Å; A266-Y268 PolarHBondContact O-N 2.72Å; A266-Y268 VanDerWaalsContact O-N 3.1Å; A266-A269 PolarHBondContact O-N 2.9Å; A266-A270 PolarHBondContact O-N 3.44Å; A266-A270 VanDerWaalsContact O-N 3.11Å; A266-T294 WeakPolarHBondContact O-CG2 3.44Å; A266-S295 WeakPolarHBondContact CB-O 3.36Å; A266-Y297 HydrophobicContact CB-CD2 3.94Å; A266-Y297 HydrophobicContact CB-CE2 3.66Å |
| 267 | F | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -40.9 | -53.1 | -155.6 | -177.6 | -118 | 0 | 0 | 0 | 117.6 | M264 D265 A269 A270 V271 A333 L367 D368 L502 | M264-F267 HydrophobicContact CB-CB 3.76Å; M264-F267 HydrophobicContact CB-CD2 3.51Å; M264-F267 HydrophobicContact CB-CE2 4.34Å; M264-F267 HydrophobicContact CB-CG 3.83Å; M264-F267 HydrophobicContact CE-CD2 4.24Å; M264-F267 HydrophobicContact CE-CE2 4.38Å; M264-F267 HydrophobicContact CG-CD2 3.92Å; M264-F267 HydrophobicContact CG-CE2 4.27Å; M264-F267 HydrophobicContact CG-CG 4.49Å; M264-F267 PolarHBondContact O-N 2.98Å; D265-F267 PolarHBondContact O-N 2.82Å; D265-F267 VanDerWaalsContact O-N 3.14Å; F267-A269 VanDerWaalsContact C-N 3.32Å; F267-A269 PolarHBondContact O-N 3.02Å; F267-A270 CarbonylContact O-C 3.58Å; F267-A270 WeakPolarHBondContact O-CA 3.35Å; F267-A270 WeakPolarHBondContact O-CB 3.43Å; F267-A270 PolarHBondContact O-N 3.14Å; F267-A270 VanDerWaalsContact O-N 3.08Å; F267-V271 HydrophobicContact CD2-CG2 4.17Å; F267-V271 HydrophobicContact CE1-CG2 4.48Å; F267-V271 HydrophobicContact CE2-CG2 3.87Å; F267-V271 HydrophobicContact CZ-CG2 4.02Å; F267-V271 WeakPolarHBondContact O-CG2 3.23Å; F267-V271 PolarHBondContact O-N 2.77Å; F267-A333 HydrophobicContact CE2-CB 4.09Å; F267-A333 HydrophobicContact CZ-CB 3.74Å; F267-L367 HydrophobicContact CD1-CB 3.99Å; F267-L367 HydrophobicContact CE1-CB 3.85Å; F267-L367 HydrophobicContact CE1-CD1 4.08Å; F267-L367 HydrophobicContact CE1-CD2 3.82Å; F267-L367 HydrophobicContact CE1-CG 4.12Å; F267-L367 HydrophobicContact CZ-CD2 4.46Å; F267-D368 HydrophobicContact CB-CB 3.53Å; F267-D368 HydrophobicContact CD1-CB 4.04Å; F267-D368 HydrophobicContact CG-CB 3.93Å; F267-L502 HydrophobicContact CD2-CD1 3.97Å; F267-L502 HydrophobicContact CE2-CD1 3.57Å |
| 268 | Y | 97 | Very high | 95.5 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | -176.6 | -52.5 | -11.2 | 0 | 0 | 0 | 111.3 | L155 A266 A270 V271 E272 V286 F327 Y330 L367 | L155-Y268 PolarHBondContact O-OH 2.76Å; A266-Y268 PolarHBondContact O-N 2.72Å; A266-Y268 VanDerWaalsContact O-N 3.1Å; Y268-A270 VanDerWaalsContact C-N 3.34Å; Y268-V271 PolarHBondContact O-N 3.1Å; Y268-E272 WeakPolarHBondContact O-CG 3.4Å; Y268-E272 PolarHBondContact O-N 3.27Å; Y268-E272 VanDerWaalsContact O-N 3.11Å; Y268-V286 HydrophobicContact CD2-CG1 4.28Å; Y268-F327 HydrophobicContact CD2-CE1 4.14Å; Y268-F327 HydrophobicContact CD2-CZ 4.16Å; Y268-F327 HydrophobicContact CE1-CE1 4.18Å; Y268-F327 HydrophobicContact CE2-CD1 4.45Å; Y268-F327 AromaticContact CE2-CE1 3.39Å; Y268-F327 HydrophobicContact CE2-CE1 3.39Å; Y268-F327 AromaticContact CE2-CZ 3.57Å; Y268-F327 HydrophobicContact CE2-CZ 3.57Å; Y268-F327 AromaticContact CZ-CE1 3.44Å; Y268-F327 VanDerWaalsContact CZ-CE1 3.44Å; Y268-F327 WeakPolarHBondContact OH-CE1 3.37Å; Y268-Y330 AromaticContact CD1-CD2 3.66Å; Y268-Y330 HydrophobicContact CD1-CD2 3.66Å; Y268-Y330 HydrophobicContact CD1-CE2 4.28Å; Y268-Y330 HydrophobicContact CD1-CG 4.03Å; Y268-Y330 HydrophobicContact CD2-CD2 4.15Å; Y268-Y330 HydrophobicContact CD2-CE2 4.12Å; Y268-Y330 HydrophobicContact CE1-CD2 4.26Å; Y268-Y330 AromaticContact CG-CD2 3.65Å; Y268-Y330 HydrophobicContact CG-CD2 3.65Å; Y268-Y330 AromaticContact CG-CE2 3.78Å; Y268-Y330 HydrophobicContact CG-CE2 3.78Å; Y268-Y330 HydrophobicContact CG-CG 4.34Å; Y268-L367 HydrophobicContact CD1-CD1 4.07Å; Y268-L367 HydrophobicContact CE1-CB 3.83Å; Y268-L367 HydrophobicContact CE1-CD1 3.31Å; Y268-L367 HydrophobicContact CE1-CG 4.24Å |
| 269 | A | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.9 | -32.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A266 F267 E272 I273 V284 V286 T294 N296 | A266-A269 PolarHBondContact O-N 2.9Å; F267-A269 VanDerWaalsContact C-N 3.32Å; F267-A269 PolarHBondContact O-N 3.02Å; A269-E272 PolarHBondContact O-N 2.72Å; A269-I273 VanDerWaalsContact O-CB 3.32Å; A269-I273 WeakPolarHBondContact O-CB 3.41Å; A269-I273 WeakPolarHBondContact O-CD1 3.39Å; A269-I273 WeakPolarHBondContact O-CG1 3.25Å; A269-I273 PolarHBondContact O-N 3.02Å; A269-V284 HydrophobicContact CB-CG1 4.26Å; A269-V286 HydrophobicContact CB-CG2 4.39Å; A269-T294 HydrophobicContact CB-CG2 4.18Å; A269-N296 HydrophobicContact CB-CB 3.94Å |
| 270 | A | 96.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 19% | 0.19 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D265 A266 F267 Y268 I273 R274 L502 | D265-A270 VanDerWaalsContact O-CB 3.3Å; D265-A270 WeakPolarHBondContact O-CB 3.42Å; A266-A270 PolarHBondContact O-N 3.44Å; A266-A270 VanDerWaalsContact O-N 3.11Å; F267-A270 CarbonylContact O-C 3.58Å; F267-A270 WeakPolarHBondContact O-CA 3.35Å; F267-A270 WeakPolarHBondContact O-CB 3.43Å; F267-A270 PolarHBondContact O-N 3.14Å; F267-A270 VanDerWaalsContact O-N 3.08Å; Y268-A270 VanDerWaalsContact C-N 3.34Å; A270-I273 PolarHBondContact O-N 3.01Å; A270-R274 WeakPolarHBondContact O-CB 2.79Å; A270-R274 PolarHBondContact O-N 3.37Å; A270-L502 HydrophobicContact CB-CD2 3.94Å; A270-L502 WeakPolarHBondContact O-CD2 3.5Å |
| 271 | V | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 172 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | F267 Y268 I273 R274 D275 K329 Y330 A333 L502 | F267-V271 HydrophobicContact CD2-CG2 4.17Å; F267-V271 HydrophobicContact CE1-CG2 4.48Å; F267-V271 HydrophobicContact CE2-CG2 3.87Å; F267-V271 HydrophobicContact CZ-CG2 4.02Å; F267-V271 WeakPolarHBondContact O-CG2 3.23Å; F267-V271 PolarHBondContact O-N 2.77Å; Y268-V271 PolarHBondContact O-N 3.1Å; V271-I273 VanDerWaalsContact C-N 3.3Å; V271-I273 PolarHBondContact O-N 3.45Å; V271-R274 WeakPolarHBondContact O-CB 2.99Å; V271-R274 PolarHBondContact O-N 3.48Å; V271-D275 PolarHBondContact O-N 3.44Å; V271-K329 HydrophobicContact CG1-CB 4.23Å; V271-Y330 HydrophobicContact CB-CD1 3.84Å; V271-Y330 HydrophobicContact CB-CE1 4.12Å; V271-Y330 HydrophobicContact CG1-CD1 3.74Å; V271-Y330 HydrophobicContact CG1-CE1 4.03Å; V271-Y330 HydrophobicContact CG2-CD1 4.24Å; V271-A333 HydrophobicContact CG2-CB 3.95Å; V271-L502 HydrophobicContact CG2-CD1 3.75Å; V271-L502 HydrophobicContact CG2-CD2 4.42Å |
| 272 | E | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 175.7 | -63.3 | -62.3 | 150.9 | 0 | 0 | 112 | Y268 A269 D275 R276 L279 V286 I323 Y330 | Y268-E272 WeakPolarHBondContact O-CG 3.4Å; Y268-E272 PolarHBondContact O-N 3.27Å; Y268-E272 VanDerWaalsContact O-N 3.11Å; A269-E272 PolarHBondContact O-N 2.72Å; E272-D275 PolarHBondContact O-N 3.11Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.41Å; E272-R276 IonicContact OE2-CZ 3.1Å; E272-R276 IonicContact OE2-NH1 2.72Å; E272-R276 PolarHBondContact OE2-NH1 2.86Å; E272-R276 IonicContact OE2-NH2 2.74Å; E272-L279 HydrophobicContact CB-CD1 4.36Å; E272-V286 HydrophobicContact CG-CG2 3.93Å; E272-I323 HydrophobicContact CB-CD1 3.9Å; E272-I323 HydrophobicContact CG-CD1 4.1Å; E272-I323 HydrophobicContact CG-CG2 4.17Å; E272-Y330 HydrophobicContact CG-CE1 4.28Å; E272-Y330 VanDerWaalsContact OE1-CE1 3.24Å; E272-Y330 WeakPolarHBondContact OE1-CE1 3Å; E272-Y330 PolarHBondContact OE1-OH 3.19Å |
| 273 | I | 96.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 11% | 0.108 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.6 | -29.8 | 176 | -72.7 | 164.2 | 0 | 0 | 0 | 112.7 | A269 A270 V271 R276 P277 L279 R280 V284 N296 | A269-I273 VanDerWaalsContact O-CB 3.32Å; A269-I273 WeakPolarHBondContact O-CB 3.41Å; A269-I273 WeakPolarHBondContact O-CD1 3.39Å; A269-I273 WeakPolarHBondContact O-CG1 3.25Å; A269-I273 PolarHBondContact O-N 3.02Å; A270-I273 PolarHBondContact O-N 3.01Å; V271-I273 VanDerWaalsContact C-N 3.3Å; V271-I273 PolarHBondContact O-N 3.45Å; I273-R276 CarbonylContact O-C 3.59Å; I273-R276 VanDerWaalsContact O-C 3.29Å; I273-P277 WeakPolarHBondContact O-CA 3.21Å; I273-L279 HydrophobicContact CG1-CB 3.74Å; I273-R280 HydrophobicContact CG2-CB 3.81Å; I273-R280 HydrophobicContact CG2-CG 4.23Å; I273-V284 HydrophobicContact CD1-CG2 4.5Å; I273-N296 HydrophobicContact CD1-CB 4.03Å |
| 274 | R | 94.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 25% | 0.253 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.7 | -43.4 | 173.3 | -178.8 | -159.7 | 68.1 | -170.6 | -2 | 110.9 | A270 V271 T500 R501 L502 | A270-R274 WeakPolarHBondContact O-CB 2.79Å; A270-R274 PolarHBondContact O-N 3.37Å; V271-R274 WeakPolarHBondContact O-CB 2.99Å; V271-R274 PolarHBondContact O-N 3.48Å; R274-T500 WeakPolarHBondContact CD-O 3.01Å; R274-T500 PolarHBondContact NH1-O 3.35Å; R274-R501 HydrophobicContact CG-CB 4.1Å; R274-L502 HydrophobicContact CB-CD2 4.02Å |
| 275 | D | 95.1 | Very high | 95 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -81.4 | -22.2 | -176.7 | -64.2 | -4.2 | 0 | 0 | 0 | 112 | V271 E272 | V271-D275 PolarHBondContact O-N 3.44Å; E272-D275 PolarHBondContact O-N 3.11Å |
| 276 | R | 96.1 | Very high | 95 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 36% | 0.355 | 16% | 0.162 | S | C | . | . | trans | -131.4 | 83.6 | 172.7 | -76 | -170 | -141.5 | 76.7 | -7.3 | 111.2 | E272 I273 E278 L279 | E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.41Å; E272-R276 IonicContact OE2-CZ 3.1Å; E272-R276 IonicContact OE2-NH1 2.72Å; E272-R276 PolarHBondContact OE2-NH1 2.86Å; E272-R276 IonicContact OE2-NH2 2.74Å; I273-R276 CarbonylContact O-C 3.59Å; I273-R276 VanDerWaalsContact O-C 3.29Å; R276-E278 VanDerWaalsContact CA-OE2 3.3Å; R276-E278 WeakPolarHBondContact CA-OE2 3.09Å; R276-E278 VanDerWaalsContact CB-OE1 3.32Å; R276-E278 WeakPolarHBondContact CB-OE1 3.28Å; R276-E278 WeakPolarHBondContact CB-OE2 3.37Å; R276-E278 WeakPolarHBondContact CD-OE1 3.5Å; R276-E278 PolarHBondContact O-N 3.08Å; R276-E278 VanDerWaalsContact O-N 3.12Å; R276-L279 HydrophobicContact CB-CD1 3.75Å; R276-L279 HydrophobicContact CB-CG 3.92Å; R276-L279 VanDerWaalsContact O-CB 3.29Å; R276-L279 WeakPolarHBondContact O-CB 3.1Å; R276-L279 PolarHBondContact O-N 3.2Å | ||
| 277 | P | 93.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 34 Ų | 34 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -56.9 | -26.8 | -174.7 | -27.8 | 36.9 | 0 | 0 | 0 | 115.3 | I273 L279 R280 | I273-P277 WeakPolarHBondContact O-CA 3.21Å; P277-L279 PolarHBondContact O-N 3.05Å; P277-R280 WeakPolarHBondContact O-CB 3.28Å; P277-R280 PolarHBondContact O-N 2.78Å |
| 278 | E | 93.1 | Very high | 94.2 | Very high | 111 Ų | 111 | 35.8 Ų | 35.8 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -62 | -21.2 | 175.8 | 75 | -76.1 | -176.5 | 0 | 0 | 113.1 | R276 R280 H282 | R276-E278 VanDerWaalsContact CA-OE2 3.3Å; R276-E278 WeakPolarHBondContact CA-OE2 3.09Å; R276-E278 VanDerWaalsContact CB-OE1 3.32Å; R276-E278 WeakPolarHBondContact CB-OE1 3.28Å; R276-E278 WeakPolarHBondContact CB-OE2 3.37Å; R276-E278 WeakPolarHBondContact CD-OE1 3.5Å; R276-E278 PolarHBondContact O-N 3.08Å; R276-E278 VanDerWaalsContact O-N 3.12Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.91Å; E278-H282 PolarHBondContact O-CE1 2.91Å; E278-H282 VanDerWaalsContact O-CE1 3.26Å; E278-H282 PolarHBondContact O-ND1 3.22Å |
| 279 | L | 94.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -74.3 | -15.4 | 174.5 | -63.2 | -179.6 | 0 | 0 | 0 | 113.5 | E272 I273 R276 P277 H281 H282 V284 K321 I323 | E272-L279 HydrophobicContact CB-CD1 4.36Å; I273-L279 HydrophobicContact CG1-CB 3.74Å; R276-L279 HydrophobicContact CB-CD1 3.75Å; R276-L279 HydrophobicContact CB-CG 3.92Å; R276-L279 VanDerWaalsContact O-CB 3.29Å; R276-L279 WeakPolarHBondContact O-CB 3.1Å; R276-L279 PolarHBondContact O-N 3.2Å; P277-L279 PolarHBondContact O-N 3.05Å; L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.13Å; L279-H281 VanDerWaalsContact O-N 3.15Å; L279-H282 PolarHBondContact O-N 3.27Å; L279-V284 HydrophobicContact CB-CG2 4.13Å; L279-V284 HydrophobicContact CD2-CG2 4.44Å; L279-K321 HydrophobicContact CD2-CD 3.77Å; L279-I323 HydrophobicContact CD1-CD1 3.54Å |
| 280 | R | 91.2 | Very high | 92.2 | Very high | 56 Ų | 56 | 43 Ų | 43 | 21% | 0.211 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.8 | -36.1 | -172 | -176.2 | 171.9 | -67.1 | 122.6 | 2.2 | 114.2 | I273 P277 E278 I298 I468 E469 C470 | I273-R280 HydrophobicContact CG2-CB 3.81Å; I273-R280 HydrophobicContact CG2-CG 4.23Å; P277-R280 WeakPolarHBondContact O-CB 3.28Å; P277-R280 PolarHBondContact O-N 2.78Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.91Å; R280-I298 VanDerWaalsContact O-CD1 3.29Å; R280-I298 WeakPolarHBondContact O-CD1 3.24Å; R280-I468 WeakPolarHBondContact CD-O 3.39Å; R280-E469 WeakPolarHBondContact CD-O 3.35Å; R280-E469 PolarHBondContact NH1-O 2.88Å; R280-C470 VanDerWaalsContact CZ-C 3.48Å; R280-C470 PolarHBondContact NH1-O 3.26Å; R280-C470 VanDerWaalsContact NH1-O 3.14Å; R280-C470 PolarHBondContact NH2-O 3.11Å |
| 281 | H | 91.3 | Very high | 91.6 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -94.3 | 4.6 | -177.3 | -55.4 | -60.3 | 0 | 0 | 0 | 113.9 | L279 I468 | L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.13Å; L279-H281 VanDerWaalsContact O-N 3.15Å; H281-I468 PolarHBondContact CE1-O 2.62Å |
| 282 | H | 94.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.292 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -106.7 | 152.3 | -176.5 | -66 | 95.6 | 0 | 0 | 0 | 112 | E278 L279 V284 N296 K321 | E278-H282 PolarHBondContact O-CE1 2.91Å; E278-H282 VanDerWaalsContact O-CE1 3.26Å; E278-H282 PolarHBondContact O-ND1 3.22Å; L279-H282 PolarHBondContact O-N 3.27Å; H282-V284 HydrophobicContact CB-CG2 4.29Å; H282-V284 PolarHBondContact O-N 3.39Å; H282-N296 PolarHBondContact O-ND2 3.02Å; H282-K321 HydrophobicContact CB-CD 4.09Å; H282-K321 PolarHBondContact CD2-NZ 3.07Å; H282-K321 PolarHBondContact CE1-NZ 2.95Å; H282-K321 PolarHBondContact ND1-NZ 3.36Å; H282-K321 PolarHBondContact NE2-NZ 3.02Å |
| 283 | P | 96.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | trans | -68.2 | 121.1 | 163.3 | 27.5 | -30.7 | 0 | 0 | 0 | 109.6 | I298 A299 C317 Q319 L320 K321 | P283-I298 HydrophobicContact CB-CG2 4.12Å; P283-A299 HydrophobicContact CB-CB 3.88Å; P283-C317 VanDerWaalsContact CB-SG 3.57Å; P283-Q319 HydrophobicContact CG-CB 3.8Å; P283-L320 HydrophobicContact CB-CD1 4.31Å; P283-K321 PolarHBondContact O-N 2.79Å | ||
| 284 | V | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.7 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | A269 I273 L279 H282 S295 N296 K321 I323 | A269-V284 HydrophobicContact CB-CG1 4.26Å; I273-V284 HydrophobicContact CD1-CG2 4.5Å; L279-V284 HydrophobicContact CB-CG2 4.13Å; L279-V284 HydrophobicContact CD2-CG2 4.44Å; H282-V284 HydrophobicContact CB-CG2 4.29Å; H282-V284 PolarHBondContact O-N 3.39Å; V284-S295 WeakPolarHBondContact O-CA 3.35Å; V284-N296 PolarHBondContact N-OD1 3.38Å; V284-N296 PolarHBondContact O-N 2.78Å; V284-N296 PolarHBondContact O-OD1 3.11Å; V284-K321 WeakPolarHBondContact CA-O 2.92Å; V284-K321 HydrophobicContact CG2-CB 4.4Å; V284-I323 HydrophobicContact CG1-CD1 3.69Å; V284-I323 HydrophobicContact CG1-CG1 4.3Å |
| 285 | A | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L292 T294 V304 L320 K321 I322 I323 | A285-L292 HydrophobicContact CB-CD1 3.97Å; A285-L292 HydrophobicContact CB-CD2 3.94Å; A285-L292 HydrophobicContact CB-CG 4.42Å; A285-T294 CarbonylContact C-O 3.03Å; A285-T294 VanDerWaalsContact CA-O 3.25Å; A285-T294 WeakPolarHBondContact CA-O 3.2Å; A285-T294 WeakPolarHBondContact CB-O 3.49Å; A285-V304 HydrophobicContact CB-CG1 4.28Å; A285-L320 HydrophobicContact CB-CD1 3.89Å; A285-L320 HydrophobicContact CB-CD2 4.25Å; A285-L320 HydrophobicContact CB-CG 4.35Å; A285-K321 PolarHBondContact N-O 3.47Å; A285-I322 CarbonylContact O-C 3.55Å; A285-I322 WeakPolarHBondContact O-CA 3.25Å; A285-I323 PolarHBondContact O-N 3.47Å |
| 286 | V | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 107.9 | Y268 A269 E272 S293 T294 I323 C325 Y330 | Y268-V286 HydrophobicContact CD2-CG1 4.28Å; A269-V286 HydrophobicContact CB-CG2 4.39Å; E272-V286 HydrophobicContact CG-CG2 3.93Å; V286-S293 PolarHBondContact O-N 3.33Å; V286-T294 PolarHBondContact N-O 2.39Å; V286-T294 PolarHBondContact O-N 2.17Å; V286-I323 WeakPolarHBondContact CA-O 3.49Å; V286-C325 HydrophobicContact CG1-CB 3.71Å; V286-Y330 HydrophobicContact CG1-CE2 3.97Å; V286-Y330 WeakPolarHBondContact CG1-OH 3.4Å |
| 287 | G | 89.2 | Confident | 89.7 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | -142.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I323 C325 | G287-I323 PolarHBondContact N-O 3.27Å; G287-C325 WeakPolarHBondContact CA-SG 3.41Å; G287-C325 PolarHBondContact N-SG 2.99Å; G287-C325 VanDerWaalsContact N-SG 3.42Å |
| 288 | S | 82.7 | Confident | 89.5 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 164.9 | 179 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | S290 M291 G310 | S288-S290 PolarHBondContact O-N 3.21Å; S288-S290 VanDerWaalsContact O-N 3.08Å; S288-S290 PolarHBondContact OG-N 2.91Å; S288-S290 PolarHBondContact OG-OG 2.17Å; S288-M291 PolarHBondContact N-O 2.67Å; S288-M291 CarbonylContact O-C 3.59Å; S288-M291 PolarHBondContact O-N 2.81Å; S288-M291 VanDerWaalsContact O-O 3.05Å; S288-M291 PolarHBondContact OG-N 3.09Å; S288-M291 PolarHBondContact OG-O 2.79Å; S288-M291 VanDerWaalsContact OG-O 3.11Å; S288-G310 WeakPolarHBondContact O-CA 3.43Å; S288-G310 PolarHBondContact O-N 3.29Å |
| 289 | N | 79.1 | Confident | 89.5 | Confident | 98 Ų | 98 | 29.5 Ų | 29.5 | 52% | 0.524 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.9 | 171.3 | -72 | -10.1 | 0 | 0 | 0 | 112.7 | G310 F311 | N289-G310 WeakPolarHBondContact O-CA 3.46Å; N289-G310 PolarHBondContact O-N 3.48Å; N289-F311 WeakPolarHBondContact O-CD1 2.72Å; N289-F311 PolarHBondContact O-N 3.43Å |
| 290 | S | 72.8 | Confident | 89.2 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 44% | 0.441 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -32.7 | 176.4 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | K154 S288 | K154-S290 PolarHBondContact NZ-OG 2.85Å; K154-S290 VanDerWaalsContact NZ-OG 3.14Å; S288-S290 PolarHBondContact O-N 3.21Å; S288-S290 VanDerWaalsContact O-N 3.08Å; S288-S290 PolarHBondContact OG-N 2.91Å; S288-S290 PolarHBondContact OG-OG 2.17Å |
| 291 | M | 82.6 | Confident | 88.7 | Confident | 58 Ų | 58 | 31.1 Ų | 31.1 | 29% | 0.286 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 135.2 | -171.7 | -171.2 | 56 | 58.8 | 0 | 0 | 110.7 | S288 G307 | S288-M291 PolarHBondContact N-O 2.67Å; S288-M291 CarbonylContact O-C 3.59Å; S288-M291 PolarHBondContact O-N 2.81Å; S288-M291 VanDerWaalsContact O-O 3.05Å; S288-M291 PolarHBondContact OG-N 3.09Å; S288-M291 PolarHBondContact OG-O 2.79Å; S288-M291 VanDerWaalsContact OG-O 3.11Å; M291-G307 VanDerWaalsContact SD-CA 3.59Å |
| 292 | L | 82.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.7 | 173.2 | -59.6 | -179.8 | 0 | 0 | 0 | 111.3 | A285 V304 A306 G307 L308 L320 I322 | A285-L292 HydrophobicContact CB-CD1 3.97Å; A285-L292 HydrophobicContact CB-CD2 3.94Å; A285-L292 HydrophobicContact CB-CG 4.42Å; L292-V304 HydrophobicContact CD1-CG1 3.48Å; L292-V304 VanDerWaalsContact CD1-CG1 3.48Å; L292-A306 WeakPolarHBondContact O-CA 3.15Å; L292-G307 PolarHBondContact O-N 2.63Å; L292-L308 WeakPolarHBondContact CB-O 2.97Å; L292-L308 WeakPolarHBondContact CG-O 2.6Å; L292-L308 PolarHBondContact N-O 2.81Å; L292-L320 HydrophobicContact CD1-CD2 4.17Å; L292-I322 HydrophobicContact CD2-CD1 4.02Å; L292-I322 HydrophobicContact CD2-CG1 4.14Å; L292-I322 HydrophobicContact CD2-CG2 3.99Å |
| 293 | S | 86.7 | Confident | 87.9 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -38.3 | -178.7 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | K154 V286 A306 | K154-S293 PolarHBondContact O-OG 3.04Å; V286-S293 PolarHBondContact O-N 3.33Å; S293-A306 WeakPolarHBondContact O-CB 3.1Å |
| 294 | T | 90.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 8% | 0.08 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 152.9 | 176.4 | -82.2 | 0 | 0 | 0 | 0 | 110.9 | A266 A269 A285 V286 | A266-T294 WeakPolarHBondContact O-CG2 3.44Å; A269-T294 HydrophobicContact CB-CG2 4.18Å; A285-T294 CarbonylContact C-O 3.03Å; A285-T294 VanDerWaalsContact CA-O 3.25Å; A285-T294 WeakPolarHBondContact CA-O 3.2Å; A285-T294 WeakPolarHBondContact CB-O 3.49Å; V286-T294 PolarHBondContact N-O 2.39Å; V286-T294 PolarHBondContact O-N 2.17Å |
| 295 | S | 92.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.5 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | A266 V284 R300 V304 | A266-S295 WeakPolarHBondContact CB-O 3.36Å; V284-S295 WeakPolarHBondContact O-CA 3.35Å; S295-R300 PolarHBondContact O-NE 2.19Å; S295-R300 PolarHBondContact O-NH2 3.43Å; S295-R300 WeakPolarHBondContact OG-CG 2.94Å; S295-V304 WeakPolarHBondContact CB-O 3.08Å; S295-V304 PolarHBondContact OG-O 2.73Å |
| 296 | N | 94.4 | Very high | 86 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | trans | -70.6 | 161.2 | 174.4 | 77 | -10.2 | 0 | 0 | 0 | 111.4 | A269 I273 H282 V284 I298 A299 R300 | A269-N296 HydrophobicContact CB-CB 3.94Å; I273-N296 HydrophobicContact CD1-CB 4.03Å; H282-N296 PolarHBondContact O-ND2 3.02Å; V284-N296 PolarHBondContact N-OD1 3.38Å; V284-N296 PolarHBondContact O-N 2.78Å; V284-N296 PolarHBondContact O-OD1 3.11Å; N296-I298 PolarHBondContact O-N 3.4Å; N296-I298 VanDerWaalsContact O-N 3.15Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 VanDerWaalsContact O-N 3.08Å; N296-A299 VanDerWaalsContact OD1-CB 3.31Å; N296-A299 WeakPolarHBondContact OD1-CB 3.3Å; N296-A299 PolarHBondContact OD1-N 3.49Å; N296-R300 WeakPolarHBondContact O-CG 3.46Å; N296-R300 PolarHBondContact O-N 3.42Å | ||
| 297 | Y | 90.1 | Very high | 85.5 | Confident | 42 Ų | 42 | 33.1 Ų | 33.1 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -18.2 | -176.5 | -65.8 | -80.7 | 0 | 0 | 0 | 114 | D265 A266 R301 P524 | D265-Y297 HydrophobicContact CB-CE2 3.93Å; D265-Y297 PolarHBondContact OD1-OH 3.16Å; A266-Y297 HydrophobicContact CB-CD2 3.94Å; A266-Y297 HydrophobicContact CB-CE2 3.66Å; Y297-R301 WeakPolarHBondContact O-CG 3.47Å; Y297-P524 HydrophobicContact CD1-CB 4.45Å; Y297-P524 HydrophobicContact CD2-CB 4.13Å; Y297-P524 HydrophobicContact CE1-CB 4.03Å; Y297-P524 HydrophobicContact CE1-CG 4.45Å; Y297-P524 HydrophobicContact CE2-CB 3.66Å; Y297-P524 HydrophobicContact CG-CB 4.5Å |
| 298 | I | 90.3 | Very high | 85.1 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -53.6 | 169.3 | -57.7 | 176.8 | 0 | 0 | 0 | 109.7 | R280 P283 N296 R300 R301 F302 | R280-I298 VanDerWaalsContact O-CD1 3.29Å; R280-I298 WeakPolarHBondContact O-CD1 3.24Å; P283-I298 HydrophobicContact CB-CG2 4.12Å; N296-I298 PolarHBondContact O-N 3.4Å; N296-I298 VanDerWaalsContact O-N 3.15Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 3.33Å; I298-R301 WeakPolarHBondContact O-CB 2.77Å; I298-R301 PolarHBondContact O-N 2.8Å; I298-F302 HydrophobicContact CG2-CE2 4.49Å; I298-F302 WeakPolarHBondContact O-CD2 3.14Å |
| 299 | A | 92 | Very high | 85 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -33.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P283 N296 R301 F302 V304 L320 | P283-A299 HydrophobicContact CB-CB 3.88Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 VanDerWaalsContact O-N 3.08Å; N296-A299 VanDerWaalsContact OD1-CB 3.31Å; N296-A299 WeakPolarHBondContact OD1-CB 3.3Å; N296-A299 PolarHBondContact OD1-N 3.49Å; A299-R301 PolarHBondContact O-N 3.04Å; A299-F302 PolarHBondContact O-N 2.68Å; A299-V304 HydrophobicContact CB-CB 4.08Å; A299-V304 HydrophobicContact CB-CG1 4.39Å; A299-V304 VanDerWaalsContact O-CB 3.31Å; A299-V304 WeakPolarHBondContact O-CB 3.41Å; A299-V304 PolarHBondContact O-N 3.35Å; A299-L320 HydrophobicContact CB-CD1 3.74Å |
| 300 | R | 89.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 28.2 Ų | 28.2 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -33 | 176.8 | -70.8 | -178.6 | -164.1 | -168.5 | 5.5 | 113.3 | A21 G22 M23 L26 S295 N296 I298 F302 G303 V304 | A21-R300 WeakPolarHBondContact O-CD 3.38Å; A21-R300 PolarHBondContact O-NH1 3.04Å; G22-R300 CarbonylContact O-C 3.55Å; G22-R300 VanDerWaalsContact O-CB 3.26Å; G22-R300 WeakPolarHBondContact O-CB 3.14Å; M23-R300 HydrophobicContact CG-CB 4.08Å; L26-R300 WeakPolarHBondContact CD1-O 3.31Å; S295-R300 PolarHBondContact O-NE 2.19Å; S295-R300 PolarHBondContact O-NH2 3.43Å; S295-R300 WeakPolarHBondContact OG-CG 2.94Å; N296-R300 WeakPolarHBondContact O-CG 3.46Å; N296-R300 PolarHBondContact O-N 3.42Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 3.33Å; R300-F302 PolarHBondContact O-N 2.76Å; R300-F302 VanDerWaalsContact O-N 3.16Å; R300-G303 PolarHBondContact O-N 2.97Å; R300-V304 WeakPolarHBondContact CA-O 3.08Å |
| 301 | R | 81.4 | Confident | 85.6 | Confident | 68 Ų | 68 | 30.4 Ų | 30.4 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.1 | 175 | -65.9 | 165.4 | 174.4 | -138.5 | 5.1 | 114.3 | L26 Y297 I298 A299 P453 I455 | L26-R301 WeakPolarHBondContact CD2-O 3.4Å; Y297-R301 WeakPolarHBondContact O-CG 3.47Å; I298-R301 WeakPolarHBondContact O-CB 2.77Å; I298-R301 PolarHBondContact O-N 2.8Å; A299-R301 PolarHBondContact O-N 3.04Å; R301-P453 VanDerWaalsContact CZ-O 3.26Å; R301-P453 PolarHBondContact NH1-O 3.03Å; R301-P453 PolarHBondContact NH2-O 2.72Å; R301-I455 VanDerWaalsContact NH2-CG1 3.34Å |
| 302 | F | 84.5 | Confident | 85.6 | Confident | 93 Ų | 93 | 28 Ų | 28 | 41% | 0.408 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 14.2 | 173.3 | -61.1 | -89.4 | 0 | 0 | 0 | 111.6 | I298 A299 R300 V304 L316 C317 | I298-F302 HydrophobicContact CG2-CE2 4.49Å; I298-F302 WeakPolarHBondContact O-CD2 3.14Å; A299-F302 PolarHBondContact O-N 2.68Å; R300-F302 PolarHBondContact O-N 2.76Å; R300-F302 VanDerWaalsContact O-N 3.16Å; F302-V304 HydrophobicContact CB-CG2 4.23Å; F302-V304 PolarHBondContact O-N 3.32Å; F302-L316 WeakPolarHBondContact O-CB 3.43Å; F302-C317 HydrophobicContact CB-CB 3.66Å; F302-C317 HydrophobicContact CD1-CB 4.32Å; F302-C317 HydrophobicContact CD2-CB 4.28Å; F302-C317 VanDerWaalsContact CD2-SG 3.54Å; F302-C317 HydrophobicContact CG-CB 3.86Å |
| 303 | G | 83.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 5.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y16 R300 R305 | Y16-G303 WeakPolarHBondContact OH-CA 3.15Å; Y16-G303 PolarHBondContact OH-O 3.03Å; R300-G303 PolarHBondContact O-N 2.97Å; G303-R305 PolarHBondContact O-N 2.84Å |
| 304 | V | 86.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -76.7 | 110.8 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | A285 L292 S295 A299 R300 F302 G313 L316 C317 L320 | A285-V304 HydrophobicContact CB-CG1 4.28Å; L292-V304 HydrophobicContact CD1-CG1 3.48Å; L292-V304 VanDerWaalsContact CD1-CG1 3.48Å; S295-V304 WeakPolarHBondContact CB-O 3.08Å; S295-V304 PolarHBondContact OG-O 2.73Å; A299-V304 HydrophobicContact CB-CB 4.08Å; A299-V304 HydrophobicContact CB-CG1 4.39Å; A299-V304 VanDerWaalsContact O-CB 3.31Å; A299-V304 WeakPolarHBondContact O-CB 3.41Å; A299-V304 PolarHBondContact O-N 3.35Å; R300-V304 WeakPolarHBondContact CA-O 3.08Å; F302-V304 HydrophobicContact CB-CG2 4.23Å; F302-V304 PolarHBondContact O-N 3.32Å; V304-G313 WeakPolarHBondContact CG2-O 3.12Å; V304-L316 HydrophobicContact CG2-CB 4.32Å; V304-C317 HydrophobicContact CG2-CB 3.66Å; V304-L320 HydrophobicContact CG1-CD1 4.01Å; V304-L320 HydrophobicContact CG1-CD2 3.63Å; V304-L320 HydrophobicContact CG1-CG 4.49Å; V304-L320 HydrophobicContact CG2-CD1 4.46Å; V304-L320 HydrophobicContact CG2-CD2 4.16Å | ||
| 305 | R | 81.9 | Confident | 85.8 | Confident | 48 Ų | 48 | 35 Ų | 35 | 18% | 0.181 | 17% | 0.172 | C | C | . | . | trans | -136.1 | 156.6 | -178.2 | 64.6 | 174.4 | 168.6 | 79.4 | -2.6 | 113.5 | Y16 K20 M23 G303 G307 L308 | Y16-R305 VanDerWaalsContact CE2-CZ 3.48Å; Y16-R305 WeakPolarHBondContact OH-CD 3.06Å; Y16-R305 WeakPolarHBondContact OH-CG 3.47Å; Y16-R305 PolarHBondContact OH-NE 3.22Å; Y16-R305 VanDerWaalsContact OH-NE 3.09Å; K20-R305 HydrophobicContact CD-CB 4.4Å; M23-R305 HydrophobicContact CE-CB 4.32Å; M23-R305 HydrophobicContact SD-CB 4.05Å; G303-R305 PolarHBondContact O-N 2.84Å; R305-G307 PolarHBondContact O-N 3.03Å; R305-L308 WeakPolarHBondContact O-CB 3.4Å; R305-L308 PolarHBondContact O-N 2.82Å; R305-L308 VanDerWaalsContact O-N 3.09Å | ||
| 306 | A | 81.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 129.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K20 L292 S293 | K20-A306 PolarHBondContact NZ-O 2.96Å; K20-A306 VanDerWaalsContact NZ-O 3.12Å; L292-A306 WeakPolarHBondContact O-CA 3.15Å; S293-A306 WeakPolarHBondContact O-CB 3.1Å |
| 307 | G | 81.2 | Confident | 85.1 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 51% | 0.505 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | M291 L292 R305 | M291-G307 VanDerWaalsContact SD-CA 3.59Å; L292-G307 PolarHBondContact O-N 2.63Å; R305-G307 PolarHBondContact O-N 3.03Å |
| 308 | L | 80.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -94.5 | 144 | 173.1 | -169.4 | 74.1 | 0 | 0 | 0 | 110.5 | I35 L292 R305 L312 L316 | I35-L308 HydrophobicContact CD1-CD1 4.04Å; L292-L308 WeakPolarHBondContact CB-O 2.97Å; L292-L308 WeakPolarHBondContact CG-O 2.6Å; L292-L308 PolarHBondContact N-O 2.81Å; R305-L308 WeakPolarHBondContact O-CB 3.4Å; R305-L308 PolarHBondContact O-N 2.82Å; R305-L308 VanDerWaalsContact O-N 3.09Å; L308-L312 HydrophobicContact CD1-CB 4.48Å; L308-L312 HydrophobicContact CD1-CD2 4.12Å; L308-L312 HydrophobicContact CD1-CG 4.12Å; L308-L312 HydrophobicContact CG-CB 4.38Å; L308-L316 HydrophobicContact CD2-CD1 3.7Å |
| 309 | P | 80.8 | Confident | 85.3 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | trans | -60.7 | 140.3 | 166.8 | -21.2 | 33.4 | 0 | 0 | 0 | 111.6 | F311 L312 G313 | P309-F311 HydrophobicContact CB-CD1 3.71Å; P309-F311 HydrophobicContact CB-CE1 3.35Å; P309-F311 HydrophobicContact CB-CG 4.45Å; P309-F311 HydrophobicContact CB-CZ 3.83Å; P309-F311 HydrophobicContact CG-CE1 4.14Å; P309-F311 HydrophobicContact CG-CZ 4.26Å; P309-F311 PolarHBondContact O-N 2.89Å; P309-L312 HydrophobicContact CB-CB 4.26Å; P309-L312 PolarHBondContact O-N 3.02Å; P309-G313 PolarHBondContact O-N 2.87Å | ||
| 310 | G | 80.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -33 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S288 N289 L312 G313 K314 I322 | S288-G310 WeakPolarHBondContact O-CA 3.43Å; S288-G310 PolarHBondContact O-N 3.29Å; N289-G310 WeakPolarHBondContact O-CA 3.46Å; N289-G310 PolarHBondContact O-N 3.48Å; G310-L312 VanDerWaalsContact C-N 3.28Å; G310-L312 PolarHBondContact O-N 2.87Å; G310-G313 PolarHBondContact O-N 3.15Å; G310-K314 PolarHBondContact O-N 3.23Å; G310-I322 WeakPolarHBondContact O-CD1 3.35Å |
| 311 | F | 84.7 | Confident | 85.8 | Confident | 109 Ų | 109 | 45.7 Ų | 45.7 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 173 | 69.4 | -97.8 | 0 | 0 | 0 | 111.7 | N289 P309 K314 K315 | N289-F311 WeakPolarHBondContact O-CD1 2.72Å; N289-F311 PolarHBondContact O-N 3.43Å; P309-F311 HydrophobicContact CB-CD1 3.71Å; P309-F311 HydrophobicContact CB-CE1 3.35Å; P309-F311 HydrophobicContact CB-CG 4.45Å; P309-F311 HydrophobicContact CB-CZ 3.83Å; P309-F311 HydrophobicContact CG-CE1 4.14Å; P309-F311 HydrophobicContact CG-CZ 4.26Å; P309-F311 PolarHBondContact O-N 2.89Å; F311-K314 WeakPolarHBondContact O-CB 3.15Å; F311-K314 PolarHBondContact O-N 3.03Å; F311-K315 PolarHBondContact O-N 3.13Å; F311-K315 VanDerWaalsContact O-N 3.11Å |
| 312 | L | 82.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.8 | -33.8 | 178.5 | -168.6 | 43.8 | 0 | 0 | 0 | 111.4 | I34 I35 N38 L308 P309 G310 K314 K315 L316 | I34-L312 HydrophobicContact CG2-CD1 4.34Å; I35-L312 HydrophobicContact CB-CD2 4.4Å; I35-L312 HydrophobicContact CG1-CD1 4.39Å; I35-L312 HydrophobicContact CG1-CD2 3.9Å; I35-L312 HydrophobicContact CG1-CG 4.2Å; I35-L312 HydrophobicContact CG2-CD2 4.29Å; N38-L312 HydrophobicContact CB-CD1 3.58Å; L308-L312 HydrophobicContact CD1-CB 4.48Å; L308-L312 HydrophobicContact CD1-CD2 4.12Å; L308-L312 HydrophobicContact CD1-CG 4.12Å; L308-L312 HydrophobicContact CG-CB 4.38Å; P309-L312 HydrophobicContact CB-CB 4.26Å; P309-L312 PolarHBondContact O-N 3.02Å; G310-L312 VanDerWaalsContact C-N 3.28Å; G310-L312 PolarHBondContact O-N 2.87Å; L312-K314 VanDerWaalsContact C-N 3.29Å; L312-K314 PolarHBondContact O-N 3.14Å; L312-K315 PolarHBondContact O-N 3.41Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 2.61Å |
| 313 | G | 86.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V304 P309 G310 C317 | V304-G313 WeakPolarHBondContact CG2-O 3.12Å; P309-G313 PolarHBondContact O-N 2.87Å; G310-G313 PolarHBondContact O-N 3.15Å; G313-C317 PolarHBondContact O-N 3.36Å |
| 314 | K | 89.9 | Confident | 87.1 | Confident | 101 Ų | 101 | 45.9 Ų | 45.9 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.7 | -34.5 | 172.3 | -77.1 | -169.1 | 172.7 | -165.7 | 0 | 113.4 | G310 F311 L312 C317 P318 I322 | G310-K314 PolarHBondContact O-N 3.23Å; F311-K314 WeakPolarHBondContact O-CB 3.15Å; F311-K314 PolarHBondContact O-N 3.03Å; L312-K314 VanDerWaalsContact C-N 3.29Å; L312-K314 PolarHBondContact O-N 3.14Å; K314-C317 CarbonylContact O-C 3.56Å; K314-C317 PolarHBondContact O-N 3.31Å; K314-P318 WeakPolarHBondContact O-CA 3.29Å; K314-I322 HydrophobicContact CD-CD1 4.4Å; K314-I322 HydrophobicContact CG-CD1 3.96Å |
| 315 | K | 87.8 | Confident | 87.1 | Confident | 71 Ų | 71 | 48 Ų | 48 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 173.3 | -82.5 | -164.7 | 162.6 | -155.9 | 0 | 112.4 | N38 F311 L312 C317 | N38-K315 VanDerWaalsContact CG-CD 3.47Å; N38-K315 WeakPolarHBondContact OD1-CD 3.35Å; N38-K315 VanDerWaalsContact OD1-CE 3.25Å; N38-K315 WeakPolarHBondContact OD1-CE 3.3Å; N38-K315 PolarHBondContact OD1-NZ 3.47Å; F311-K315 PolarHBondContact O-N 3.13Å; F311-K315 VanDerWaalsContact O-N 3.11Å; L312-K315 PolarHBondContact O-N 3.41Å; K315-C317 VanDerWaalsContact C-N 3.3Å; K315-C317 PolarHBondContact O-N 3.45Å |
| 316 | L | 84 | Confident | 87.3 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 172.3 | -74.5 | -177.5 | 0 | 0 | 0 | 113.3 | I31 I34 F302 V304 L308 L312 | I31-L316 HydrophobicContact CG2-CD1 4.04Å; I31-L316 HydrophobicContact CG2-CD2 4.19Å; I34-L316 HydrophobicContact CB-CD2 3.95Å; I34-L316 HydrophobicContact CD1-CD2 3.74Å; I34-L316 HydrophobicContact CG1-CD2 4.48Å; I34-L316 HydrophobicContact CG2-CD2 3.8Å; I34-L316 HydrophobicContact CG2-CG 4.45Å; F302-L316 WeakPolarHBondContact O-CB 3.43Å; V304-L316 HydrophobicContact CG2-CB 4.32Å; L308-L316 HydrophobicContact CD2-CD1 3.7Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 2.61Å |
| 317 | C | 88.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | trans | -143.6 | 91.5 | -180 | -171 | 0 | 0 | 0 | 0 | 110.2 | P283 F302 V304 G313 K314 K315 Q319 L320 | P283-C317 VanDerWaalsContact CB-SG 3.57Å; F302-C317 HydrophobicContact CB-CB 3.66Å; F302-C317 HydrophobicContact CD1-CB 4.32Å; F302-C317 HydrophobicContact CD2-CB 4.28Å; F302-C317 VanDerWaalsContact CD2-SG 3.54Å; F302-C317 HydrophobicContact CG-CB 3.86Å; V304-C317 HydrophobicContact CG2-CB 3.66Å; G313-C317 PolarHBondContact O-N 3.36Å; K314-C317 CarbonylContact O-C 3.56Å; K314-C317 PolarHBondContact O-N 3.31Å; K315-C317 VanDerWaalsContact C-N 3.3Å; K315-C317 PolarHBondContact O-N 3.45Å; C317-Q319 PolarHBondContact O-N 2.92Å; C317-Q319 VanDerWaalsContact O-N 3.1Å; C317-L320 HydrophobicContact CB-CB 4.11Å; C317-L320 WeakPolarHBondContact O-CB 3.5Å; C317-L320 PolarHBondContact O-N 2.85Å | ||
| 318 | P | 91.6 | Very high | 87.3 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.7 | -176.1 | -30.5 | 37.6 | 0 | 0 | 0 | 114.5 | K314 L320 | K314-P318 WeakPolarHBondContact O-CA 3.29Å; P318-L320 VanDerWaalsContact C-N 3.25Å; P318-L320 PolarHBondContact O-N 3.22Å |
| 319 | Q | 93 | Very high | 87.8 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.1 | 177.8 | -58.4 | -177.7 | 14.2 | 0 | 0 | 113.9 | P283 C317 K321 | P283-Q319 HydrophobicContact CG-CB 3.8Å; C317-Q319 PolarHBondContact O-N 2.92Å; C317-Q319 VanDerWaalsContact O-N 3.1Å; Q319-K321 PolarHBondContact O-N 2.93Å; Q319-K321 VanDerWaalsContact O-N 3.12Å |
| 320 | L | 95.8 | Very high | 88.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -64 | 111.4 | -171.6 | -176.9 | 69.3 | 0 | 0 | 0 | 113 | P283 A285 L292 A299 V304 C317 P318 I322 | P283-L320 HydrophobicContact CB-CD1 4.31Å; A285-L320 HydrophobicContact CB-CD1 3.89Å; A285-L320 HydrophobicContact CB-CD2 4.25Å; A285-L320 HydrophobicContact CB-CG 4.35Å; L292-L320 HydrophobicContact CD1-CD2 4.17Å; A299-L320 HydrophobicContact CB-CD1 3.74Å; V304-L320 HydrophobicContact CG1-CD1 4.01Å; V304-L320 HydrophobicContact CG1-CD2 3.63Å; V304-L320 HydrophobicContact CG1-CG 4.49Å; V304-L320 HydrophobicContact CG2-CD1 4.46Å; V304-L320 HydrophobicContact CG2-CD2 4.16Å; C317-L320 HydrophobicContact CB-CB 4.11Å; C317-L320 WeakPolarHBondContact O-CB 3.5Å; C317-L320 PolarHBondContact O-N 2.85Å; P318-L320 VanDerWaalsContact C-N 3.25Å; P318-L320 PolarHBondContact O-N 3.22Å; L320-I322 HydrophobicContact CD2-CD1 4.15Å; L320-I322 HydrophobicContact CD2-CG1 3.84Å; L320-I322 HydrophobicContact CG-CG1 3.98Å; L320-I322 PolarHBondContact O-N 3.21Å | ||
| 321 | K | 96.2 | Very high | 88.5 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 104.7 | 170 | -65.4 | 179.9 | 178.5 | 177.3 | 0 | 109 | L279 H282 P283 V284 A285 Q319 | L279-K321 HydrophobicContact CD2-CD 3.77Å; H282-K321 HydrophobicContact CB-CD 4.09Å; H282-K321 PolarHBondContact CD2-NZ 3.07Å; H282-K321 PolarHBondContact CE1-NZ 2.95Å; H282-K321 PolarHBondContact ND1-NZ 3.36Å; H282-K321 PolarHBondContact NE2-NZ 3.02Å; P283-K321 PolarHBondContact O-N 2.79Å; V284-K321 WeakPolarHBondContact CA-O 2.92Å; V284-K321 HydrophobicContact CG2-CB 4.4Å; A285-K321 PolarHBondContact N-O 3.47Å; Q319-K321 PolarHBondContact O-N 2.93Å; Q319-K321 VanDerWaalsContact O-N 3.12Å |
| 322 | I | 94.4 | Very high | 88.6 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.4 | 173.7 | -58.8 | 177 | 0 | 0 | 0 | 109 | A285 L292 G310 K314 L320 | A285-I322 CarbonylContact O-C 3.55Å; A285-I322 WeakPolarHBondContact O-CA 3.25Å; L292-I322 HydrophobicContact CD2-CD1 4.02Å; L292-I322 HydrophobicContact CD2-CG1 4.14Å; L292-I322 HydrophobicContact CD2-CG2 3.99Å; G310-I322 WeakPolarHBondContact O-CD1 3.35Å; K314-I322 HydrophobicContact CD-CD1 4.4Å; K314-I322 HydrophobicContact CG-CD1 3.96Å; L320-I322 HydrophobicContact CD2-CD1 4.15Å; L320-I322 HydrophobicContact CD2-CG1 3.84Å; L320-I322 HydrophobicContact CG-CG1 3.98Å; L320-I322 PolarHBondContact O-N 3.21Å |
| 323 | I | 94.5 | Very high | 89 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.8 | -178.1 | -54.1 | 178.6 | 0 | 0 | 0 | 109.1 | E272 L279 V284 A285 V286 G287 | E272-I323 HydrophobicContact CB-CD1 3.9Å; E272-I323 HydrophobicContact CG-CD1 4.1Å; E272-I323 HydrophobicContact CG-CG2 4.17Å; L279-I323 HydrophobicContact CD1-CD1 3.54Å; V284-I323 HydrophobicContact CG1-CD1 3.69Å; V284-I323 HydrophobicContact CG1-CG1 4.3Å; A285-I323 PolarHBondContact O-N 3.47Å; V286-I323 WeakPolarHBondContact CA-O 3.49Å; G287-I323 PolarHBondContact N-O 3.27Å |
| 324 | P | 87.2 | Confident | 89.2 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | trans | -57.9 | 140.8 | 170.6 | -22.9 | 33.9 | 0 | 0 | 0 | 111.1 | D326 | P324-D326 PolarHBondContact O-N 2.75Š| ||
| 325 | C | 86.6 | Confident | 89.2 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | trans | -79.3 | 116.1 | -168.6 | -36.2 | 0 | 0 | 0 | 0 | 113.1 | V286 G287 F327 Y330 | V286-C325 HydrophobicContact CG1-CB 3.71Å; G287-C325 WeakPolarHBondContact CA-SG 3.41Å; G287-C325 PolarHBondContact N-SG 2.99Å; G287-C325 VanDerWaalsContact N-SG 3.42Å; C325-F327 HydrophobicContact CB-CD2 3.5Å; C325-F327 VanDerWaalsContact CB-CD2 3.5Å; C325-F327 HydrophobicContact CB-CE2 3.13Å; C325-F327 HydrophobicContact CB-CZ 4.15Å; C325-Y330 HydrophobicContact CB-CE2 4.36Å | ||
| 326 | D | 86.6 | Confident | 89.5 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -101.4 | 92.5 | 171.8 | -175.8 | -19.2 | 0 | 0 | 0 | 111.2 | P324 V328 K329 Y330 | P324-D326 PolarHBondContact O-N 2.75Å; D326-V328 VanDerWaalsContact C-N 3.34Å; D326-V328 WeakPolarHBondContact OD1-CB 3.5Å; D326-V328 PolarHBondContact OD1-N 3.25Å; D326-K329 HydrophobicContact CB-CD 4.31Å; D326-K329 HydrophobicContact CB-CG 4.41Å; D326-K329 PolarHBondContact OD1-N 3.22Å; D326-K329 VanDerWaalsContact OD1-N 3.13Å; D326-K329 IonicContact OD2-NZ 2.71Å; D326-K329 PolarHBondContact OD2-NZ 3.46Å; D326-Y330 PolarHBondContact N-OH 2.74Å; D326-Y330 VanDerWaalsContact N-OH 3.09Å; D326-Y330 WeakPolarHBondContact O-CD1 2.85Å; D326-Y330 WeakPolarHBondContact O-CD2 3.21Å; D326-Y330 WeakPolarHBondContact O-CE1 3.43Å; D326-Y330 WeakPolarHBondContact O-CE2 2.9Å; D326-Y330 VanDerWaalsContact O-CG 3.24Å; D326-Y330 PolarHBondContact O-N 3.15Å | ||
| 327 | F | 81.6 | Confident | 89.9 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -84.9 | -3.7 | -179.9 | -69.3 | -105.9 | 0 | 0 | 0 | 114.4 | L155 P157 Y268 C325 Y330 T331 L367 | L155-F327 WeakPolarHBondContact O-CE1 3.38Å; P157-F327 VanDerWaalsContact CD-CB 3.48Å; P157-F327 VanDerWaalsContact CD-CE1 3.43Å; P157-F327 VanDerWaalsContact CD-CZ 3.47Å; P157-F327 HydrophobicContact CG-CB 3.68Å; P157-F327 HydrophobicContact CG-CD1 4.16Å; P157-F327 HydrophobicContact CG-CD2 3.1Å; P157-F327 HydrophobicContact CG-CE1 4.5Å; P157-F327 HydrophobicContact CG-CE2 3.48Å; P157-F327 VanDerWaalsContact CG-CE2 3.48Å; P157-F327 HydrophobicContact CG-CG 3.45Å; P157-F327 VanDerWaalsContact CG-CG 3.45Å; P157-F327 HydrophobicContact CG-CZ 4.2Å; Y268-F327 HydrophobicContact CD2-CE1 4.14Å; Y268-F327 HydrophobicContact CD2-CZ 4.16Å; Y268-F327 HydrophobicContact CE1-CE1 4.18Å; Y268-F327 HydrophobicContact CE2-CD1 4.45Å; Y268-F327 AromaticContact CE2-CE1 3.39Å; Y268-F327 HydrophobicContact CE2-CE1 3.39Å; Y268-F327 AromaticContact CE2-CZ 3.57Å; Y268-F327 HydrophobicContact CE2-CZ 3.57Å; Y268-F327 AromaticContact CZ-CE1 3.44Å; Y268-F327 VanDerWaalsContact CZ-CE1 3.44Å; Y268-F327 WeakPolarHBondContact OH-CE1 3.37Å; C325-F327 HydrophobicContact CB-CD2 3.5Å; C325-F327 VanDerWaalsContact CB-CD2 3.5Å; C325-F327 HydrophobicContact CB-CE2 3.13Å; C325-F327 HydrophobicContact CB-CZ 4.15Å; F327-Y330 HydrophobicContact CB-CD2 4.18Å; F327-Y330 AromaticContact CD1-CD2 3.52Å; F327-Y330 HydrophobicContact CD1-CD2 3.52Å; F327-Y330 HydrophobicContact CD1-CE2 4.24Å; F327-Y330 HydrophobicContact CD1-CG 4.45Å; F327-Y330 HydrophobicContact CD2-CD2 4.11Å; F327-Y330 HydrophobicContact CD2-CE2 4.07Å; F327-Y330 HydrophobicContact CE1-CD2 4.03Å; F327-Y330 HydrophobicContact CE2-CE2 4.42Å; F327-Y330 AromaticContact CG-CD2 3.58Å; F327-Y330 HydrophobicContact CG-CD2 3.58Å; F327-Y330 HydrophobicContact CG-CE2 4.02Å; F327-Y330 PolarHBondContact O-N 2.82Å; F327-T331 WeakPolarHBondContact O-CB 3.16Å; F327-T331 PolarHBondContact O-N 3.02Å; F327-T331 PolarHBondContact O-OG1 3.06Å; F327-L367 HydrophobicContact CD1-CD1 3.72Å; F327-L367 HydrophobicContact CE1-CD1 4.15Å |
| 328 | V | 81.6 | Confident | 90.1 | Very high | 120 Ų | 120 | 51.4 Ų | 51.4 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 167.3 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | D326 T331 A332 | D326-V328 VanDerWaalsContact C-N 3.34Å; D326-V328 WeakPolarHBondContact OD1-CB 3.5Å; D326-V328 PolarHBondContact OD1-N 3.25Å; V328-T331 PolarHBondContact O-N 2.87Å; V328-A332 PolarHBondContact O-N 3.45Å; V328-A332 VanDerWaalsContact O-N 3.17Å |
| 329 | K | 90 | Very high | 90 | Very high | 68 Ų | 68 | 49 Ų | 49 | 30% | 0.296 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.5 | -50.2 | 170.6 | -68.4 | -175.7 | 179.6 | 88 | 0 | 112.1 | V271 D326 T331 A332 A333 | V271-K329 HydrophobicContact CG1-CB 4.23Å; D326-K329 HydrophobicContact CB-CD 4.31Å; D326-K329 HydrophobicContact CB-CG 4.41Å; D326-K329 PolarHBondContact OD1-N 3.22Å; D326-K329 VanDerWaalsContact OD1-N 3.13Å; D326-K329 IonicContact OD2-NZ 2.71Å; D326-K329 PolarHBondContact OD2-NZ 3.46Å; K329-T331 VanDerWaalsContact C-N 3.33Å; K329-T331 PolarHBondContact O-N 3.42Å; K329-A332 PolarHBondContact O-N 3.07Å; K329-A333 PolarHBondContact O-N 3.13Å |
| 330 | Y | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | -174.4 | -44.6 | -24.8 | 0 | 0 | 0 | 111.2 | Y268 V271 E272 V286 C325 D326 F327 A332 A333 S334 L367 | Y268-Y330 AromaticContact CD1-CD2 3.66Å; Y268-Y330 HydrophobicContact CD1-CD2 3.66Å; Y268-Y330 HydrophobicContact CD1-CE2 4.28Å; Y268-Y330 HydrophobicContact CD1-CG 4.03Å; Y268-Y330 HydrophobicContact CD2-CD2 4.15Å; Y268-Y330 HydrophobicContact CD2-CE2 4.12Å; Y268-Y330 HydrophobicContact CE1-CD2 4.26Å; Y268-Y330 AromaticContact CG-CD2 3.65Å; Y268-Y330 HydrophobicContact CG-CD2 3.65Å; Y268-Y330 AromaticContact CG-CE2 3.78Å; Y268-Y330 HydrophobicContact CG-CE2 3.78Å; Y268-Y330 HydrophobicContact CG-CG 4.34Å; V271-Y330 HydrophobicContact CB-CD1 3.84Å; V271-Y330 HydrophobicContact CB-CE1 4.12Å; V271-Y330 HydrophobicContact CG1-CD1 3.74Å; V271-Y330 HydrophobicContact CG1-CE1 4.03Å; V271-Y330 HydrophobicContact CG2-CD1 4.24Å; E272-Y330 HydrophobicContact CG-CE1 4.28Å; E272-Y330 VanDerWaalsContact OE1-CE1 3.24Å; E272-Y330 WeakPolarHBondContact OE1-CE1 3Å; E272-Y330 PolarHBondContact OE1-OH 3.19Å; V286-Y330 HydrophobicContact CG1-CE2 3.97Å; V286-Y330 WeakPolarHBondContact CG1-OH 3.4Å; C325-Y330 HydrophobicContact CB-CE2 4.36Å; D326-Y330 PolarHBondContact N-OH 2.74Å; D326-Y330 VanDerWaalsContact N-OH 3.09Å; D326-Y330 WeakPolarHBondContact O-CD1 2.85Å; D326-Y330 WeakPolarHBondContact O-CD2 3.21Å; D326-Y330 WeakPolarHBondContact O-CE1 3.43Å; D326-Y330 WeakPolarHBondContact O-CE2 2.9Å; D326-Y330 VanDerWaalsContact O-CG 3.24Å; D326-Y330 PolarHBondContact O-N 3.15Å; F327-Y330 HydrophobicContact CB-CD2 4.18Å; F327-Y330 AromaticContact CD1-CD2 3.52Å; F327-Y330 HydrophobicContact CD1-CD2 3.52Å; F327-Y330 HydrophobicContact CD1-CE2 4.24Å; F327-Y330 HydrophobicContact CD1-CG 4.45Å; F327-Y330 HydrophobicContact CD2-CD2 4.11Å; F327-Y330 HydrophobicContact CD2-CE2 4.07Å; F327-Y330 HydrophobicContact CE1-CD2 4.03Å; F327-Y330 HydrophobicContact CE2-CE2 4.42Å; F327-Y330 AromaticContact CG-CD2 3.58Å; F327-Y330 HydrophobicContact CG-CD2 3.58Å; F327-Y330 HydrophobicContact CG-CE2 4.02Å; F327-Y330 PolarHBondContact O-N 2.82Å; Y330-A332 PolarHBondContact O-N 2.81Å; Y330-A333 PolarHBondContact O-N 2.84Å; Y330-S334 PolarHBondContact O-N 2.85Å; Y330-L367 HydrophobicContact CD2-CD1 4.4Å; Y330-L367 HydrophobicContact CG-CD1 4.38Å; Y330-L367 WeakPolarHBondContact O-CD2 3.08Å |
| 331 | T | 83.7 | Confident | 90 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -51.9 | 171.6 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | Q158 F327 V328 K329 A333 S334 R335 | Q158-T331 HydrophobicContact CB-CG2 4.41Å; Q158-T331 WeakPolarHBondContact CB-OG1 3.1Å; Q158-T331 VanDerWaalsContact CD-OG1 3.24Å; Q158-T331 PolarHBondContact OE1-OG1 2.62Å; F327-T331 WeakPolarHBondContact O-CB 3.16Å; F327-T331 PolarHBondContact O-N 3.02Å; F327-T331 PolarHBondContact O-OG1 3.06Å; V328-T331 PolarHBondContact O-N 2.87Å; K329-T331 VanDerWaalsContact C-N 3.33Å; K329-T331 PolarHBondContact O-N 3.42Å; T331-A333 PolarHBondContact O-N 2.66Å; T331-S334 PolarHBondContact O-N 3.21Å; T331-R335 HydrophobicContact CG2-CG 4.44Å; T331-R335 WeakPolarHBondContact O-CG 3.29Å; T331-R335 PolarHBondContact O-N 2.92Å |
| 332 | A | 87.4 | Confident | 89.7 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -45.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V328 K329 Y330 S334 R335 V336 | V328-A332 PolarHBondContact O-N 3.45Å; V328-A332 VanDerWaalsContact O-N 3.17Å; K329-A332 PolarHBondContact O-N 3.07Å; Y330-A332 PolarHBondContact O-N 2.81Å; A332-S334 PolarHBondContact O-N 3.12Å; A332-R335 PolarHBondContact O-N 3.46Å; A332-V336 PolarHBondContact O-N 3.12Å |
| 333 | A | 90.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F267 V271 K329 Y330 T331 V336 V337 L502 | F267-A333 HydrophobicContact CE2-CB 4.09Å; F267-A333 HydrophobicContact CZ-CB 3.74Å; V271-A333 HydrophobicContact CG2-CB 3.95Å; K329-A333 PolarHBondContact O-N 3.13Å; Y330-A333 PolarHBondContact O-N 2.84Å; T331-A333 PolarHBondContact O-N 2.66Å; A333-V336 PolarHBondContact O-N 2.79Å; A333-V337 WeakPolarHBondContact O-CG2 3.41Å; A333-V337 PolarHBondContact O-N 2.63Å; A333-V337 VanDerWaalsContact O-N 3.17Å; A333-L502 HydrophobicContact CB-CD1 4.31Å |
| 334 | S | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.6 | -32.1 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 113.6 | Y330 T331 A332 V336 V337 R338 L367 | Y330-S334 PolarHBondContact O-N 2.85Å; T331-S334 PolarHBondContact O-N 3.21Å; A332-S334 PolarHBondContact O-N 3.12Å; S334-V336 PolarHBondContact O-N 3.1Å; S334-V337 PolarHBondContact O-N 3.42Å; S334-R338 WeakPolarHBondContact O-CB 3.45Å; S334-R338 WeakPolarHBondContact O-CD 3.39Å; S334-R338 WeakPolarHBondContact O-CG 3.47Å; S334-R338 PolarHBondContact O-N 2.9Å; S334-R338 PolarHBondContact OG-NE 3.13Å; S334-L367 WeakPolarHBondContact CB-O 2.99Å; S334-L367 PolarHBondContact OG-O 2.86Å |
| 335 | R | 90.1 | Very high | 89.5 | Confident | 135 Ų | 135 | 39 Ų | 39 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.7 | -42 | 170.8 | -75.9 | 178.4 | -176.7 | 141.6 | -3.4 | 111.3 | H121 T331 A332 R338 S339 | H121-R335 PolarHBondContact NE2-NH2 2.81Å; T331-R335 HydrophobicContact CG2-CG 4.44Å; T331-R335 WeakPolarHBondContact O-CG 3.29Å; T331-R335 PolarHBondContact O-N 2.92Å; A332-R335 PolarHBondContact O-N 3.46Å; R335-R338 PolarHBondContact O-N 3.17Å; R335-S339 PolarHBondContact O-N 2.97Å; R335-S339 PolarHBondContact O-OG 3.37Å |
| 336 | V | 92.8 | Very high | 89 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 177 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | A332 A333 S334 S339 I340 A499 T500 | A332-V336 PolarHBondContact O-N 3.12Å; A333-V336 PolarHBondContact O-N 2.79Å; S334-V336 PolarHBondContact O-N 3.1Å; V336-S339 PolarHBondContact O-OG 3.34Å; V336-I340 HydrophobicContact CG1-CD1 4.18Å; V336-I340 VanDerWaalsContact O-CD1 3.29Å; V336-I340 WeakPolarHBondContact O-CD1 3.01Å; V336-I340 WeakPolarHBondContact O-CG1 3.25Å; V336-I340 PolarHBondContact O-N 2.91Å; V336-A499 HydrophobicContact CG1-CB 3.78Å; V336-T500 HydrophobicContact CB-CG2 4.1Å; V336-T500 HydrophobicContact CG1-CG2 3.73Å |
| 337 | V | 93.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 172 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | M264 A333 S334 S339 I340 L341 V496 T500 | M264-V337 HydrophobicContact CE-CG2 3.86Å; M264-V337 HydrophobicContact CG-CG1 4.31Å; M264-V337 HydrophobicContact CG-CG2 4.33Å; M264-V337 HydrophobicContact SD-CB 4.36Å; M264-V337 HydrophobicContact SD-CG1 3.66Å; M264-V337 HydrophobicContact SD-CG2 3.69Å; A333-V337 WeakPolarHBondContact O-CG2 3.41Å; A333-V337 PolarHBondContact O-N 2.63Å; A333-V337 VanDerWaalsContact O-N 3.17Å; S334-V337 PolarHBondContact O-N 3.42Å; V337-S339 PolarHBondContact O-N 2.64Å; V337-I340 PolarHBondContact O-N 3.09Å; V337-L341 HydrophobicContact CG1-CD1 3.81Å; V337-L341 HydrophobicContact CG1-CG 4.33Å; V337-L341 WeakPolarHBondContact O-CG 3.18Å; V337-L341 PolarHBondContact O-N 2.72Å; V337-V496 HydrophobicContact CG1-CG1 4.29Å; V337-V496 HydrophobicContact CG1-CG2 4.22Å; V337-V496 HydrophobicContact CG2-CG1 4.18Å; V337-T500 HydrophobicContact CG2-CG2 3.93Å |
| 338 | R | 91.5 | Very high | 87 | Confident | 23 Ų | 23 | 41 Ų | 41 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | -176.7 | -67.8 | 164 | -179.9 | -140.1 | -9.2 | 111.9 | H120 I137 S334 R335 I340 L341 M342 F362 A364 S366 | H120-R338 PolarHBondContact O-NH1 2.74Å; H120-R338 VanDerWaalsContact O-NH1 3.1Å; I137-R338 VanDerWaalsContact CG2-NH1 3.33Å; S334-R338 WeakPolarHBondContact O-CB 3.45Å; S334-R338 WeakPolarHBondContact O-CD 3.39Å; S334-R338 WeakPolarHBondContact O-CG 3.47Å; S334-R338 PolarHBondContact O-N 2.9Å; S334-R338 PolarHBondContact OG-NE 3.13Å; R335-R338 PolarHBondContact O-N 3.17Å; R338-I340 VanDerWaalsContact C-N 3.31Å; R338-I340 PolarHBondContact O-N 3.44Å; R338-L341 PolarHBondContact O-N 2.88Å; R338-M342 WeakPolarHBondContact O-CB 3.47Å; R338-M342 VanDerWaalsContact O-CG 3.23Å; R338-M342 WeakPolarHBondContact O-CG 3.11Å; R338-M342 PolarHBondContact O-N 3.49Å; R338-F362 HydrophobicContact CB-CE1 4.24Å; R338-F362 HydrophobicContact CB-CZ 3.99Å; R338-F362 HydrophobicContact CG-CE1 4.36Å; R338-F362 HydrophobicContact CG-CZ 3.99Å; R338-A364 HydrophobicContact CG-CB 3.92Å; R338-S366 PolarHBondContact NH2-O 2.99Å |
| 339 | S | 90.6 | Very high | 85.7 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | R335 V336 V337 M342 | R335-S339 PolarHBondContact O-N 2.97Å; R335-S339 PolarHBondContact O-OG 3.37Å; V336-S339 PolarHBondContact O-OG 3.34Å; V337-S339 PolarHBondContact O-N 2.64Å; S339-M342 PolarHBondContact O-N 2.81Å |
| 340 | I | 93.1 | Very high | 83.9 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 177 | -63.4 | 161.4 | 0 | 0 | 0 | 110.8 | V336 V337 R338 M342 E343 Y344 R495 V496 A499 | V336-I340 HydrophobicContact CG1-CD1 4.18Å; V336-I340 VanDerWaalsContact O-CD1 3.29Å; V336-I340 WeakPolarHBondContact O-CD1 3.01Å; V336-I340 WeakPolarHBondContact O-CG1 3.25Å; V336-I340 PolarHBondContact O-N 2.91Å; V337-I340 PolarHBondContact O-N 3.09Å; R338-I340 VanDerWaalsContact C-N 3.31Å; R338-I340 PolarHBondContact O-N 3.44Å; I340-M342 VanDerWaalsContact C-N 3.31Å; I340-M342 PolarHBondContact O-N 3.2Å; I340-E343 WeakPolarHBondContact O-CB 3.24Å; I340-E343 PolarHBondContact O-N 3.15Å; I340-Y344 HydrophobicContact CG2-CE2 4.47Å; I340-Y344 VanDerWaalsContact O-CD2 3.24Å; I340-Y344 WeakPolarHBondContact O-CD2 3.42Å; I340-Y344 WeakPolarHBondContact O-CE2 3.38Å; I340-R495 HydrophobicContact CG2-CB 3.85Å; I340-V496 HydrophobicContact CB-CG2 4.36Å; I340-V496 HydrophobicContact CG2-CG2 4.08Å; I340-A499 HydrophobicContact CD1-CB 3.33Å |
| 341 | L | 94.6 | Very high | 81.4 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 178.5 | -69.4 | 179.2 | 0 | 0 | 0 | 112.3 | V262 V337 R338 E343 Y344 F362 A370 L372 M492 V496 | V262-L341 HydrophobicContact CB-CD1 4.12Å; V262-L341 HydrophobicContact CG1-CD1 4.12Å; V262-L341 HydrophobicContact CG1-CD2 4.49Å; V262-L341 HydrophobicContact CG2-CD1 4.35Å; V262-L341 HydrophobicContact CG2-CD2 4.08Å; V337-L341 HydrophobicContact CG1-CD1 3.81Å; V337-L341 HydrophobicContact CG1-CG 4.33Å; V337-L341 WeakPolarHBondContact O-CG 3.18Å; V337-L341 PolarHBondContact O-N 2.72Å; R338-L341 PolarHBondContact O-N 2.88Å; L341-E343 VanDerWaalsContact C-N 3.27Å; L341-E343 PolarHBondContact O-N 2.97Å; L341-Y344 PolarHBondContact O-N 3.45Å; L341-Y344 VanDerWaalsContact O-N 3.13Å; L341-F362 HydrophobicContact CB-CD2 4.13Å; L341-F362 HydrophobicContact CB-CE2 3.56Å; L341-F362 HydrophobicContact CB-CZ 4.4Å; L341-F362 HydrophobicContact CD1-CE2 4.19Å; L341-A370 HydrophobicContact CD1-CB 3.99Å; L341-L372 HydrophobicContact CB-CD2 4.14Å; L341-L372 HydrophobicContact CD2-CD2 4.36Å; L341-L372 WeakPolarHBondContact O-CD2 3.43Å; L341-M492 HydrophobicContact CD2-CB 4.1Å; L341-M492 HydrophobicContact CD2-CG 4.27Å; L341-M492 HydrophobicContact CD2-SD 4.18Å; L341-V496 HydrophobicContact CD2-CG2 4.33Å; L341-V496 HydrophobicContact CG-CG2 4.44Å |
| 342 | M | 90.9 | Very high | 79.6 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -27.5 | 177.1 | -74.4 | 168.2 | 68 | 0 | 0 | 113.2 | R338 S339 I340 Y344 T345 I360 F362 | R338-M342 WeakPolarHBondContact O-CB 3.47Å; R338-M342 VanDerWaalsContact O-CG 3.23Å; R338-M342 WeakPolarHBondContact O-CG 3.11Å; R338-M342 PolarHBondContact O-N 3.49Å; S339-M342 PolarHBondContact O-N 2.81Å; I340-M342 VanDerWaalsContact C-N 3.31Å; I340-M342 PolarHBondContact O-N 3.2Å; M342-Y344 PolarHBondContact O-N 2.62Å; M342-T345 WeakPolarHBondContact CA-OG1 3.27Å; M342-T345 PolarHBondContact O-N 2.77Å; M342-T345 PolarHBondContact O-OG1 2.93Å; M342-I360 HydrophobicContact CE-CD1 3.58Å; M342-F362 HydrophobicContact CG-CB 3.97Å; M342-F362 HydrophobicContact CG-CD1 3.34Å; M342-F362 HydrophobicContact CG-CD2 3.93Å; M342-F362 HydrophobicContact CG-CE1 3.75Å; M342-F362 HydrophobicContact CG-CE2 4.33Å; M342-F362 HydrophobicContact CG-CG 3.45Å; M342-F362 VanDerWaalsContact CG-CG 3.45Å; M342-F362 HydrophobicContact CG-CZ 4.25Å; M342-F362 HydrophobicContact SD-CD1 3.88Å; M342-F362 HydrophobicContact SD-CE1 4.01Å |
| 343 | E | 91.7 | Very high | 77.4 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -60.2 | -25 | 173.7 | -61 | 177.2 | -135 | 0 | 0 | 113 | I340 L341 T345 R495 | I340-E343 WeakPolarHBondContact O-CB 3.24Å; I340-E343 PolarHBondContact O-N 3.15Å; L341-E343 VanDerWaalsContact C-N 3.27Å; L341-E343 PolarHBondContact O-N 2.97Å; E343-T345 PolarHBondContact O-N 2.69Å; E343-R495 IonicContact OE1-CZ 2.68Å; E343-R495 IonicContact OE1-NH1 2.82Å; E343-R495 IonicContact OE1-NH2 3.62Å; E343-R495 PolarHBondContact OE1-NH2 3.15Å; E343-R495 IonicContact OE2-CZ 2.72Å; E343-R495 IonicContact OE2-NH1 3Å; E343-R495 PolarHBondContact OE2-NH1 3.42Å; E343-R495 IonicContact OE2-NH2 3.97Å; E343-R495 PolarHBondContact OE2-NH2 2.93Å |
| 344 | Y | 93.3 | Very high | 75.3 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -87.3 | 7.8 | 178.3 | -63.4 | -91.9 | 0 | 0 | 0 | 113.3 | I340 L341 M342 H377 E491 M492 R495 | I340-Y344 HydrophobicContact CG2-CE2 4.47Å; I340-Y344 VanDerWaalsContact O-CD2 3.24Å; I340-Y344 WeakPolarHBondContact O-CD2 3.42Å; I340-Y344 WeakPolarHBondContact O-CE2 3.38Å; L341-Y344 PolarHBondContact O-N 3.45Å; L341-Y344 VanDerWaalsContact O-N 3.13Å; M342-Y344 PolarHBondContact O-N 2.62Å; Y344-H377 AromaticContact CD1-CE1 3.48Å; Y344-H377 VanDerWaalsContact CD1-CE1 3.48Å; Y344-H377 WeakPolarHBondContact CD1-CE1 3.41Å; Y344-H377 AromaticContact CD1-NE2 3.4Å; Y344-H377 WeakPolarHBondContact CD1-NE2 3.46Å; Y344-H377 AromaticContact CE1-CE1 3.89Å; Y344-H377 AromaticContact CE1-NE2 3.8Å; Y344-H377 VanDerWaalsContact O-CB 3.27Å; Y344-H377 WeakPolarHBondContact O-CB 3.48Å; Y344-E491 VanDerWaalsContact CE1-OE1 3.23Å; Y344-E491 WeakPolarHBondContact CE1-OE1 3.48Å; Y344-E491 WeakPolarHBondContact OH-CG 3.28Å; Y344-E491 PolarHBondContact OH-OE1 2.77Å; Y344-M492 HydrophobicContact CD1-CE 3.61Å; Y344-M492 HydrophobicContact CD1-CG 3.72Å; Y344-M492 HydrophobicContact CD1-SD 4.42Å; Y344-M492 HydrophobicContact CD2-CG 3.52Å; Y344-M492 HydrophobicContact CD2-SD 4.46Å; Y344-M492 HydrophobicContact CE1-CE 4.43Å; Y344-M492 HydrophobicContact CE1-CG 3.85Å; Y344-M492 HydrophobicContact CE2-CB 4.45Å; Y344-M492 HydrophobicContact CE2-CG 3.66Å; Y344-M492 HydrophobicContact CG-CE 3.73Å; Y344-M492 HydrophobicContact CG-CG 3.58Å; Y344-M492 HydrophobicContact CG-SD 4.14Å; Y344-R495 WeakPolarHBondContact OH-CD 3.23Å; Y344-R495 PolarHBondContact OH-NH1 3.27Å |
| 345 | T | 85.6 | Confident | 72.9 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.086 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -126.1 | 10.8 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | M342 E343 I360 P361 F362 L372 | M342-T345 WeakPolarHBondContact CA-OG1 3.27Å; M342-T345 PolarHBondContact O-N 2.77Å; M342-T345 PolarHBondContact O-OG1 2.93Å; E343-T345 PolarHBondContact O-N 2.69Å; T345-I360 WeakPolarHBondContact OG1-CG2 3.19Å; T345-P361 HydrophobicContact CG2-CG 4.38Å; T345-P361 WeakPolarHBondContact O-CD 3.41Å; T345-F362 HydrophobicContact CG2-CB 3.91Å; T345-F362 WeakPolarHBondContact OG1-CB 3.41Å; T345-L372 HydrophobicContact CG2-CB 3.95Å; T345-L372 HydrophobicContact CG2-CD2 4.08Å; T345-L372 HydrophobicContact CG2-CG 4.26Å |
| 346 | V | 78.1 | Confident | 70.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | trans | -115.8 | 115 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 347 | S | 68.5 | Low | 68.4 | Low | 28 Ų | 28 | 65.3 Ų | 65.3 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | trans | -83.2 | 147.6 | 168.5 | -89.5 | 0 | 0 | 0 | 0 | 111.7 | G349 N350 D376 D380 | S347-G349 PolarHBondContact O-N 3.3Å; S347-N350 PolarHBondContact O-N 3.49Å; S347-D376 WeakPolarHBondContact OG-CB 3.01Å; S347-D376 PolarHBondContact OG-O 3.42Å; S347-D380 VanDerWaalsContact CA-OD2 3.31Å; S347-D380 WeakPolarHBondContact CA-OD2 3.12Å; S347-D380 WeakPolarHBondContact CB-OD1 3.36Å; S347-D380 VanDerWaalsContact OG-CG 3.27Å; S347-D380 PolarHBondContact OG-OD1 2.81Å; S347-D380 PolarHBondContact OG-OD2 2.99Å | ||
| 348 | A | 57.7 | Low | 66.4 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N350 D380 | A348-N350 VanDerWaalsContact C-N 3.27Å; A348-N350 PolarHBondContact O-N 3.26Å; A348-D380 WeakPolarHBondContact CB-OD2 3.32Å; A348-D380 PolarHBondContact N-OD2 3.16Å |
| 349 | G | 52.9 | Low | 65 | Low | 75 Ų | 75 | 68.9 Ų | 68.9 | 77% | 0.773 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S347 | S347-G349 PolarHBondContact O-N 3.3Š|
| 350 | N | 53 | Low | 64.1 | Low | 113 Ų | 113 | 67.5 Ų | 67.5 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | trans | -113.2 | 63.5 | -170.7 | -152.1 | 3.5 | 0 | 0 | 0 | 112.4 | S347 A348 Q352 | S347-N350 PolarHBondContact O-N 3.49Å; A348-N350 VanDerWaalsContact C-N 3.27Å; A348-N350 PolarHBondContact O-N 3.26Å; N350-Q352 PolarHBondContact O-N 3.06Å | ||
| 351 | T | 40.2 | Very low | 63.7 | Low | 137 Ų | 137 | 67.8 Ų | 67.8 | 84% | 0.84 | 40% | 0.401 | S | S | * | . | trans | -79.5 | 45.8 | -171.4 | 41 | 0 | 0 | 0 | 0 | 115 | ||||
| 352 | Q | 45.5 | Very low | 63.3 | Low | 154 Ų | 154 | 69 Ų | 69 | 72% | 0.72 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -104.2 | 146.8 | 161.7 | -68.2 | -171.9 | -9.3 | 0 | 0 | 110 | N350 | N350-Q352 PolarHBondContact O-N 3.06Š|
| 353 | N | 41 | Very low | 63 | Low | 109 Ų | 109 | 67.7 Ų | 67.7 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | trans | -48.5 | 121 | -168.4 | -76.5 | -30.6 | 0 | 0 | 0 | 113.2 | C355 E356 S357 | N353-C355 PolarHBondContact O-N 3.41Å; N353-E356 PolarHBondContact ND2-OE2 3.46Å; N353-E356 PolarHBondContact O-N 2.96Å; N353-S357 PolarHBondContact O-N 2.98Å | ||
| 354 | P | 45.4 | Very low | 62.4 | Low | 85 Ų | 85 | 63.5 Ų | 63.5 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.8 | -179.1 | -28.1 | 35.8 | 0 | 0 | 0 | 115.4 | ||
| 355 | C | 41.9 | Very low | 61.7 | Low | 114 Ų | 114 | 63.6 Ų | 63.6 | 77% | 0.77 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -20.5 | 179.7 | -57.9 | 0 | 0 | 0 | 0 | 114 | N353 | N353-C355 PolarHBondContact O-N 3.41Š|
| 356 | E | 42 | Very low | 61.7 | Low | 138 Ų | 138 | 63.1 Ų | 63.1 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -9.3 | -170.4 | -63.8 | 174.1 | 135 | 0 | 0 | 112.7 | N353 D358 | N353-E356 PolarHBondContact ND2-OE2 3.46Å; N353-E356 PolarHBondContact O-N 2.96Å; E356-D358 PolarHBondContact O-N 2.98Å |
| 357 | S | 44.4 | Very low | 62 | Low | 38 Ų | 38 | 60.4 Ų | 60.4 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | trans | -82.8 | 102.2 | 173.3 | -171 | 0 | 0 | 0 | 0 | 110.6 | N353 N359 | N353-S357 PolarHBondContact O-N 2.98Å; S357-N359 PolarHBondContact O-N 3.43Å | ||
| 358 | D | 51.8 | Low | 63.1 | Low | 66 Ų | 66 | 60.6 Ų | 60.6 | 35% | 0.353 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 3.3 | 177.4 | -53.4 | -8.6 | 0 | 0 | 0 | 115 | R119 E356 K607 | R119-D358 IonicContact CZ-OD1 2.65Å; R119-D358 IonicContact NH1-OD1 3.43Å; R119-D358 PolarHBondContact NH1-OD1 3.19Å; R119-D358 IonicContact NH2-OD1 3.9Å; R119-D358 PolarHBondContact NH2-OD1 3.27Å; R119-D358 IonicContact NH2-OD2 3.69Å; E356-D358 PolarHBondContact O-N 2.98Å; D358-K607 WeakPolarHBondContact OD2-CE 3.42Å; D358-K607 IonicContact OD2-NZ 2.84Å; D358-K607 PolarHBondContact OD2-NZ 3.06Å |
| 359 | N | 62.4 | Low | 64.8 | Low | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 5.4 | -147.2 | -70.3 | -25.1 | 0 | 0 | 0 | 115.4 | S357 I606 K607 | S357-N359 PolarHBondContact O-N 3.43Å; N359-I606 VanDerWaalsContact CA-N 3.33Å; N359-I606 PolarHBondContact O-N 3.27Å; N359-I606 PolarHBondContact OD1-N 3.02Å; N359-K607 PolarHBondContact ND2-N 3.35Å; N359-K607 WeakPolarHBondContact OD1-CG 3.49Å; N359-K607 PolarHBondContact OD1-N 3.07Å |
| 360 | I | 71 | Confident | 66.7 | Low | 32 Ų | 32 | 56.3 Ų | 56.3 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | trans | -62.5 | 128.2 | -175.5 | -53.9 | 173.9 | 0 | 0 | 0 | 108.5 | M342 T345 F362 | M342-I360 HydrophobicContact CE-CD1 3.58Å; T345-I360 WeakPolarHBondContact OG1-CG2 3.19Å; I360-F362 HydrophobicContact CG2-CB 3.72Å; I360-F362 PolarHBondContact O-N 3.39Å | ||
| 361 | P | 85.2 | Confident | 68.7 | Low | 18 Ų | 18 | 52 Ų | 52 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -74.6 | 34.6 | 178 | 31.8 | -35.1 | 0 | 0 | 0 | 113.1 | T345 L372 D373 L603 T604 | T345-P361 HydrophobicContact CG2-CG 4.38Å; T345-P361 WeakPolarHBondContact O-CD 3.41Å; P361-L372 WeakPolarHBondContact O-CA 3.3Å; P361-D373 HydrophobicContact CB-CB 4.08Å; P361-D373 PolarHBondContact O-N 2.82Å; P361-L603 WeakPolarHBondContact CA-O 3.29Å; P361-T604 HydrophobicContact CB-CG2 4.37Å |
| 362 | F | 86.1 | Confident | 71.2 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.8 | 173.2 | 172.7 | -95.3 | 0 | 0 | 0 | 108.6 | R338 L341 M342 T345 I360 A364 A370 L372 | R338-F362 HydrophobicContact CB-CE1 4.24Å; R338-F362 HydrophobicContact CB-CZ 3.99Å; R338-F362 HydrophobicContact CG-CE1 4.36Å; R338-F362 HydrophobicContact CG-CZ 3.99Å; L341-F362 HydrophobicContact CB-CD2 4.13Å; L341-F362 HydrophobicContact CB-CE2 3.56Å; L341-F362 HydrophobicContact CB-CZ 4.4Å; L341-F362 HydrophobicContact CD1-CE2 4.19Å; M342-F362 HydrophobicContact CG-CB 3.97Å; M342-F362 HydrophobicContact CG-CD1 3.34Å; M342-F362 HydrophobicContact CG-CD2 3.93Å; M342-F362 HydrophobicContact CG-CE1 3.75Å; M342-F362 HydrophobicContact CG-CE2 4.33Å; M342-F362 HydrophobicContact CG-CG 3.45Å; M342-F362 VanDerWaalsContact CG-CG 3.45Å; M342-F362 HydrophobicContact CG-CZ 4.25Å; M342-F362 HydrophobicContact SD-CD1 3.88Å; M342-F362 HydrophobicContact SD-CE1 4.01Å; T345-F362 HydrophobicContact CG2-CB 3.91Å; T345-F362 WeakPolarHBondContact OG1-CB 3.41Å; I360-F362 HydrophobicContact CG2-CB 3.72Å; I360-F362 PolarHBondContact O-N 3.39Å; F362-A364 HydrophobicContact CE1-CB 3.69Å; F362-A364 HydrophobicContact CZ-CB 3.79Å; F362-A370 HydrophobicContact CE2-CB 3.99Å; F362-A370 HydrophobicContact CZ-CB 4.17Å; F362-L372 HydrophobicContact CD2-CD2 4.44Å; F362-L372 HydrophobicContact CD2-CG 4Å; F362-L372 HydrophobicContact CE2-CG 4.46Å |
| 363 | S | 85.2 | Confident | 73.4 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 99.9 | 177.3 | -162.8 | 0 | 0 | 0 | 0 | 110.6 | R140 V365 Y371 | R140-S363 PolarHBondContact NH1-O 2.58Å; R140-S363 PolarHBondContact NH1-OG 3.21Å; R140-S363 VanDerWaalsContact NH2-CB 3.32Å; R140-S363 PolarHBondContact NH2-O 2.56Å; R140-S363 PolarHBondContact NH2-OG 2.87Å; R140-S363 VanDerWaalsContact NH2-OG 3.13Å; S363-V365 PolarHBondContact O-N 3.47Å; S363-Y371 PolarHBondContact N-O 3.43Å; S363-Y371 PolarHBondContact O-N 2.96Å |
| 364 | A | 79.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I137 R140 R338 F362 | I137-A364 WeakPolarHBondContact CA-O 3.49Å; R140-A364 PolarHBondContact NH1-O 2.19Å; R338-A364 HydrophobicContact CG-CB 3.92Å; F362-A364 HydrophobicContact CE1-CB 3.69Å; F362-A364 HydrophobicContact CZ-CB 3.79Å |
| 365 | V | 78.9 | Confident | 78 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | trans | -82.1 | -97.2 | -171.8 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | I137 R140 S363 E369 Y371 | I137-V365 CarbonylContact C-O 3.51Å; R140-V365 VanDerWaalsContact CB-CA 3.49Å; R140-V365 HydrophobicContact CB-CB 3.9Å; R140-V365 HydrophobicContact CB-CG1 3.4Å; R140-V365 WeakPolarHBondContact CB-O 3.12Å; R140-V365 HydrophobicContact CG-CB 4.2Å; R140-V365 HydrophobicContact CG-CG1 3.7Å; R140-V365 VanDerWaalsContact CZ-CG2 3.45Å; S363-V365 PolarHBondContact O-N 3.47Å; V365-E369 WeakPolarHBondContact CA-O 3.4Å; V365-E369 VanDerWaalsContact CB-C 3.46Å; V365-E369 HydrophobicContact CB-CB 3.37Å; V365-E369 WeakPolarHBondContact CB-O 3.06Å; V365-E369 HydrophobicContact CG1-CB 3.34Å; V365-E369 HydrophobicContact CG1-CG 4.24Å; V365-E369 VanDerWaalsContact CG1-OE2 3.27Å; V365-E369 WeakPolarHBondContact CG1-OE2 3.01Å; V365-E369 HydrophobicContact CG2-CB 4.16Å; V365-E369 PolarHBondContact N-O 2.62Å; V365-Y371 HydrophobicContact CG1-CE2 4.45Å; V365-Y371 HydrophobicContact CG2-CD2 3.14Å; V365-Y371 HydrophobicContact CG2-CE2 3.38Å; V365-Y371 HydrophobicContact CG2-CG 4.22Å | ||
| 366 | S | 85.1 | Confident | 80.3 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -87 | -153.2 | 173 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | F141 R338 D368 E369 | F141-S366 VanDerWaalsContact CE2-C 3.42Å; F141-S366 VanDerWaalsContact CZ-C 3.47Å; R338-S366 PolarHBondContact NH2-O 2.99Å; S366-D368 WeakPolarHBondContact CB-OD1 3.44Å; S366-D368 PolarHBondContact OG-N 2.99Å; S366-D368 PolarHBondContact OG-OD1 2.84Å; S366-E369 PolarHBondContact N-O 3.22Å; S366-E369 WeakPolarHBondContact OG-CB 3.4Å; S366-E369 PolarHBondContact OG-N 2.8Å |
| 367 | L | 85.1 | Confident | 82.7 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -68 | -35 | 165.8 | -110.6 | 178.3 | 0 | 0 | 0 | 110.5 | F141 F267 Y268 F327 Y330 S334 | F141-L367 HydrophobicContact CD1-CB 4.33Å; F141-L367 HydrophobicContact CE1-CB 3.38Å; F141-L367 HydrophobicContact CE1-CD1 3.89Å; F141-L367 HydrophobicContact CE1-CG 3.37Å; F141-L367 HydrophobicContact CZ-CB 3.72Å; F141-L367 HydrophobicContact CZ-CD1 4.48Å; F141-L367 HydrophobicContact CZ-CD2 4.49Å; F141-L367 HydrophobicContact CZ-CG 3.55Å; F267-L367 HydrophobicContact CD1-CB 3.99Å; F267-L367 HydrophobicContact CE1-CB 3.85Å; F267-L367 HydrophobicContact CE1-CD1 4.08Å; F267-L367 HydrophobicContact CE1-CD2 3.82Å; F267-L367 HydrophobicContact CE1-CG 4.12Å; F267-L367 HydrophobicContact CZ-CD2 4.46Å; Y268-L367 HydrophobicContact CD1-CD1 4.07Å; Y268-L367 HydrophobicContact CE1-CB 3.83Å; Y268-L367 HydrophobicContact CE1-CD1 3.31Å; Y268-L367 HydrophobicContact CE1-CG 4.24Å; F327-L367 HydrophobicContact CD1-CD1 3.72Å; F327-L367 HydrophobicContact CE1-CD1 4.15Å; Y330-L367 HydrophobicContact CD2-CD1 4.4Å; Y330-L367 HydrophobicContact CG-CD1 4.38Å; Y330-L367 WeakPolarHBondContact O-CD2 3.08Å; S334-L367 WeakPolarHBondContact CB-O 2.99Å; S334-L367 PolarHBondContact OG-O 2.86Å |
| 368 | D | 90.4 | Very high | 84.9 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 17% | 0.171 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -103.5 | -32.3 | -169.1 | 38.2 | -16.6 | 0 | 0 | 0 | 113.9 | D263 M264 F267 S366 | D263-D368 CarbonylContact C-O 3.32Å; D263-D368 WeakPolarHBondContact CA-O 3.31Å; M264-D368 HydrophobicContact CB-CB 3.86Å; M264-D368 WeakPolarHBondContact CG-O 3.23Å; M264-D368 PolarHBondContact N-O 3.06Å; F267-D368 HydrophobicContact CB-CB 3.53Å; F267-D368 HydrophobicContact CD1-CB 4.04Å; F267-D368 HydrophobicContact CG-CB 3.93Å; S366-D368 WeakPolarHBondContact CB-OD1 3.44Å; S366-D368 PolarHBondContact OG-N 2.99Å; S366-D368 PolarHBondContact OG-OD1 2.84Å |
| 369 | E | 93.3 | Very high | 86.8 | Confident | 43 Ų | 43 | 25.3 Ų | 25.3 | 20% | 0.201 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153.7 | 178.2 | -68.5 | -176.6 | -159.7 | 0 | 0 | 112.2 | H261 V262 D263 V365 S366 K516 | H261-E369 IonicContact CE1-OE2 3.86Å; H261-E369 IonicContact NE2-OE2 3.2Å; H261-E369 PolarHBondContact NE2-OE2 3.3Å; V262-E369 CarbonylContact O-C 3.57Å; V262-E369 VanDerWaalsContact O-CA 3.29Å; V262-E369 WeakPolarHBondContact O-CA 3.38Å; D263-E369 HydrophobicContact CB-CG 4.42Å; D263-E369 WeakPolarHBondContact OD2-CG 3.42Å; V365-E369 WeakPolarHBondContact CA-O 3.4Å; V365-E369 VanDerWaalsContact CB-C 3.46Å; V365-E369 HydrophobicContact CB-CB 3.37Å; V365-E369 WeakPolarHBondContact CB-O 3.06Å; V365-E369 HydrophobicContact CG1-CB 3.34Å; V365-E369 HydrophobicContact CG1-CG 4.24Å; V365-E369 VanDerWaalsContact CG1-OE2 3.27Å; V365-E369 WeakPolarHBondContact CG1-OE2 3.01Å; V365-E369 HydrophobicContact CG2-CB 4.16Å; V365-E369 PolarHBondContact N-O 2.62Å; S366-E369 PolarHBondContact N-O 3.22Å; S366-E369 WeakPolarHBondContact OG-CB 3.4Å; S366-E369 PolarHBondContact OG-N 2.8Å; E369-K516 IonicContact OE1-NZ 2.69Å; E369-K516 PolarHBondContact OE1-NZ 2.82Å; E369-K516 IonicContact OE2-NZ 3.84Å; E369-K516 PolarHBondContact OE2-NZ 3.11Å |
| 370 | A | 92.6 | Very high | 88.1 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H261 V262 L341 F362 | H261-A370 CarbonylContact C-O 3.41Å; H261-A370 WeakPolarHBondContact CA-O 3.09Å; H261-A370 PolarHBondContact CD2-O 2.95Å; V262-A370 PolarHBondContact N-O 2.96Å; V262-A370 PolarHBondContact O-N 2.89Å; L341-A370 HydrophobicContact CD1-CB 3.99Å; F362-A370 HydrophobicContact CE2-CB 3.99Å; F362-A370 HydrophobicContact CZ-CB 4.17Å |
| 371 | Y | 94.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 23.7 Ų | 23.7 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.5 | 163.5 | -62.5 | -89.8 | 0 | 0 | 0 | 111.4 | I259 V260 H261 S363 V365 T512 K516 W602 | I259-Y371 HydrophobicContact CG2-CD1 4.1Å; V260-Y371 CarbonylContact O-C 3.56Å; V260-Y371 VanDerWaalsContact O-CA 3.29Å; V260-Y371 WeakPolarHBondContact O-CA 3.44Å; H261-Y371 HydrophobicContact CB-CD1 3.72Å; H261-Y371 HydrophobicContact CB-CE1 3.69Å; H261-Y371 AromaticContact CD2-CD1 3.54Å; H261-Y371 AromaticContact CD2-CD2 3.95Å; H261-Y371 AromaticContact CD2-CE1 3.26Å; H261-Y371 WeakPolarHBondContact CD2-CE1 3.4Å; H261-Y371 AromaticContact CD2-CE2 3.71Å; H261-Y371 AromaticContact CD2-CG 3.88Å; H261-Y371 AromaticContact CD2-CZ 3.37Å; H261-Y371 AromaticContact CG-CD1 3.99Å; H261-Y371 AromaticContact CG-CE1 3.7Å; S363-Y371 PolarHBondContact N-O 3.43Å; S363-Y371 PolarHBondContact O-N 2.96Å; V365-Y371 HydrophobicContact CG1-CE2 4.45Å; V365-Y371 HydrophobicContact CG2-CD2 3.14Å; V365-Y371 HydrophobicContact CG2-CE2 3.38Å; V365-Y371 HydrophobicContact CG2-CG 4.22Å; Y371-T512 HydrophobicContact CD1-CG2 3.74Å; Y371-T512 VanDerWaalsContact CE1-CB 3.49Å; Y371-T512 HydrophobicContact CE1-CG2 3.95Å; Y371-T512 VanDerWaalsContact CE1-O 3.32Å; Y371-T512 WeakPolarHBondContact CE1-O 3.25Å; Y371-T512 HydrophobicContact CG-CG2 4.1Å; Y371-K516 HydrophobicContact CE1-CB 4.19Å; Y371-K516 WeakPolarHBondContact OH-CB 3Å; Y371-K516 WeakPolarHBondContact OH-CD 3.39Å; Y371-W602 AromaticContact CD2-CH2 3.58Å; Y371-W602 HydrophobicContact CD2-CH2 3.58Å; Y371-W602 HydrophobicContact CD2-CZ3 4.29Å; Y371-W602 AromaticContact CE2-CH2 3.94Å; Y371-W602 HydrophobicContact CE2-CH2 3.94Å; Y371-W602 HydrophobicContact CG-CH2 4.09Å |
| 372 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.5 | 176 | -52.7 | 83.5 | 0 | 0 | 0 | 108.3 | I259 V260 V262 L341 T345 P361 F362 I374 M492 | I259-L372 CarbonylContact C-O 3.36Å; I259-L372 WeakPolarHBondContact CA-O 3.4Å; V260-L372 HydrophobicContact CB-CB 4.42Å; V260-L372 HydrophobicContact CB-CD1 4.26Å; V260-L372 PolarHBondContact N-O 2.85Å; V260-L372 PolarHBondContact O-N 2.17Å; V262-L372 HydrophobicContact CG2-CD1 3.8Å; L341-L372 HydrophobicContact CB-CD2 4.14Å; L341-L372 HydrophobicContact CD2-CD2 4.36Å; L341-L372 WeakPolarHBondContact O-CD2 3.43Å; T345-L372 HydrophobicContact CG2-CB 3.95Å; T345-L372 HydrophobicContact CG2-CD2 4.08Å; T345-L372 HydrophobicContact CG2-CG 4.26Å; P361-L372 WeakPolarHBondContact O-CA 3.3Å; F362-L372 HydrophobicContact CD2-CD2 4.44Å; F362-L372 HydrophobicContact CD2-CG 4Å; F362-L372 HydrophobicContact CE2-CG 4.46Å; L372-I374 HydrophobicContact CB-CG2 3.69Å; L372-I374 HydrophobicContact CD2-CG2 4.07Å; L372-M492 HydrophobicContact CD2-SD 4.19Å |
| 373 | D | 91.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.9 | 152 | -165.3 | -29.8 | 0 | 0 | 0 | 107 | R257 I259 P361 T375 T604 | R257-D373 WeakPolarHBondContact CD-OD2 3.14Å; R257-D373 WeakPolarHBondContact CG-OD2 3.4Å; R257-D373 IonicContact CZ-OD2 2.97Å; R257-D373 IonicContact NE-OD2 3.86Å; R257-D373 PolarHBondContact NE-OD2 3.35Å; R257-D373 IonicContact NH1-OD2 2.62Å; I259-D373 HydrophobicContact CD1-CB 3.59Å; I259-D373 VanDerWaalsContact CD1-CG 3.48Å; I259-D373 WeakPolarHBondContact CD1-OD2 3.15Å; P361-D373 HydrophobicContact CB-CB 4.08Å; P361-D373 PolarHBondContact O-N 2.82Å; D373-T375 VanDerWaalsContact OD1-CB 3.29Å; D373-T375 WeakPolarHBondContact OD1-CB 3.18Å; D373-T375 PolarHBondContact OD1-N 2.69Å; D373-T375 VanDerWaalsContact OD1-N 3.12Å; D373-T375 PolarHBondContact OD1-OG1 3.43Å; D373-T604 HydrophobicContact CB-CG2 3.92Å |
| 374 | I | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -107.9 | 11.6 | -176.9 | 71 | 165 | 0 | 0 | 0 | 112.7 | L258 V260 L372 D376 H377 L378 V489 M492 | L258-I374 HydrophobicContact CB-CG1 4.47Å; L258-I374 HydrophobicContact CD2-CD1 3.87Å; L258-I374 HydrophobicContact CD2-CG1 3.89Å; L258-I374 HydrophobicContact CG-CG1 4.39Å; L258-I374 PolarHBondContact O-N 2.94Å; L258-I374 VanDerWaalsContact O-N 3.09Å; V260-I374 HydrophobicContact CG2-CD1 3.68Å; V260-I374 HydrophobicContact CG2-CG1 3.89Å; V260-I374 HydrophobicContact CG2-CG2 4.07Å; L372-I374 HydrophobicContact CB-CG2 3.69Å; L372-I374 HydrophobicContact CD2-CG2 4.07Å; I374-D376 PolarHBondContact O-N 3.09Å; I374-H377 HydrophobicContact CB-CB 4.49Å; I374-H377 PolarHBondContact O-N 3.17Å; I374-L378 HydrophobicContact CD1-CD1 3.94Å; I374-L378 HydrophobicContact CD1-CD2 4.24Å; I374-L378 HydrophobicContact CD1-CG 4.02Å; I374-L378 HydrophobicContact CG1-CD1 4.08Å; I374-L378 HydrophobicContact CG1-CG 4.18Å; I374-L378 WeakPolarHBondContact O-CG 3.22Å; I374-L378 PolarHBondContact O-N 3.48Å; I374-V489 HydrophobicContact CD1-CG2 4.26Å; I374-M492 HydrophobicContact CD1-CE 3.95Å; I374-M492 HydrophobicContact CG2-CE 4.01Å | ||
| 375 | T | 91.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.3 | -51 | -173.9 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | R257 L258 D373 H377 L378 V379 | R257-T375 VanDerWaalsContact CA-OG1 3.32Å; R257-T375 WeakPolarHBondContact CA-OG1 3.41Å; L258-T375 PolarHBondContact N-OG1 3.21Å; D373-T375 VanDerWaalsContact OD1-CB 3.29Å; D373-T375 WeakPolarHBondContact OD1-CB 3.18Å; D373-T375 PolarHBondContact OD1-N 2.69Å; D373-T375 VanDerWaalsContact OD1-N 3.12Å; D373-T375 PolarHBondContact OD1-OG1 3.43Å; T375-H377 PolarHBondContact O-N 3.16Å; T375-L378 PolarHBondContact O-N 3.09Å; T375-V379 PolarHBondContact O-N 3Å |
| 376 | D | 89.6 | Confident | 91.5 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.8 | -37.8 | -179.1 | -54.5 | -21 | 0 | 0 | 0 | 111.6 | S347 I374 L378 V379 D380 | S347-D376 WeakPolarHBondContact OG-CB 3.01Å; S347-D376 PolarHBondContact OG-O 3.42Å; I374-D376 PolarHBondContact O-N 3.09Å; D376-L378 VanDerWaalsContact C-N 3.26Å; D376-L378 PolarHBondContact O-N 2.75Å; D376-V379 WeakPolarHBondContact O-CB 3.42Å; D376-V379 PolarHBondContact O-N 3.2Å; D376-V379 VanDerWaalsContact O-N 3.17Å; D376-D380 PolarHBondContact O-N 3.07Å |
| 377 | H | 92.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -34.8 | 173.4 | 176 | 94.1 | 0 | 0 | 0 | 112.1 | Y344 I374 T375 R381 F384 | Y344-H377 AromaticContact CD1-CE1 3.48Å; Y344-H377 VanDerWaalsContact CD1-CE1 3.48Å; Y344-H377 WeakPolarHBondContact CD1-CE1 3.41Å; Y344-H377 AromaticContact CD1-NE2 3.4Å; Y344-H377 WeakPolarHBondContact CD1-NE2 3.46Å; Y344-H377 AromaticContact CE1-CE1 3.89Å; Y344-H377 AromaticContact CE1-NE2 3.8Å; Y344-H377 VanDerWaalsContact O-CB 3.27Å; Y344-H377 WeakPolarHBondContact O-CB 3.48Å; I374-H377 HydrophobicContact CB-CB 4.49Å; I374-H377 PolarHBondContact O-N 3.17Å; T375-H377 PolarHBondContact O-N 3.16Å; H377-R381 WeakPolarHBondContact O-CB 3.46Å; H377-R381 PolarHBondContact O-N 3.23Å; H377-F384 AromaticContact CE1-CE2 3.78Å |
| 378 | L | 91.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.7 | -27.7 | 178 | -70 | -179.7 | 0 | 0 | 0 | 113.2 | L258 I374 T375 D376 C382 A485 A488 | L258-L378 HydrophobicContact CD2-CD1 3.53Å; I374-L378 HydrophobicContact CD1-CD1 3.94Å; I374-L378 HydrophobicContact CD1-CD2 4.24Å; I374-L378 HydrophobicContact CD1-CG 4.02Å; I374-L378 HydrophobicContact CG1-CD1 4.08Å; I374-L378 HydrophobicContact CG1-CG 4.18Å; I374-L378 WeakPolarHBondContact O-CG 3.22Å; I374-L378 PolarHBondContact O-N 3.48Å; T375-L378 PolarHBondContact O-N 3.09Å; D376-L378 VanDerWaalsContact C-N 3.26Å; D376-L378 PolarHBondContact O-N 2.75Å; L378-C382 PolarHBondContact O-N 3.49Å; L378-C382 PolarHBondContact O-SG 3.27Å; L378-A485 HydrophobicContact CD1-CB 3.82Å; L378-A488 HydrophobicContact CD2-CB 3.83Å |
| 379 | V | 90.6 | Very high | 92.5 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 61% | 0.606 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.7 | -56.4 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | T375 D376 R381 C382 | T375-V379 PolarHBondContact O-N 3Å; D376-V379 WeakPolarHBondContact O-CB 3.42Å; D376-V379 PolarHBondContact O-N 3.2Å; D376-V379 VanDerWaalsContact O-N 3.17Å; V379-R381 PolarHBondContact O-N 3.35Å; V379-C382 WeakPolarHBondContact O-CB 3.2Å; V379-C382 PolarHBondContact O-N 2.85Å |
| 380 | D | 90.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -50.2 | -41.6 | 174 | -90 | 48.3 | 0 | 0 | 0 | 112.4 | S347 A348 D376 C382 D383 F384 | S347-D380 VanDerWaalsContact CA-OD2 3.31Å; S347-D380 WeakPolarHBondContact CA-OD2 3.12Å; S347-D380 WeakPolarHBondContact CB-OD1 3.36Å; S347-D380 VanDerWaalsContact OG-CG 3.27Å; S347-D380 PolarHBondContact OG-OD1 2.81Å; S347-D380 PolarHBondContact OG-OD2 2.99Å; A348-D380 WeakPolarHBondContact CB-OD2 3.32Å; A348-D380 PolarHBondContact N-OD2 3.16Å; D376-D380 PolarHBondContact O-N 3.07Å; D380-C382 VanDerWaalsContact C-N 3.28Å; D380-C382 PolarHBondContact O-N 2.55Å; D380-D383 PolarHBondContact O-N 3.28Å; D380-F384 VanDerWaalsContact C-CE1 3.42Å; D380-F384 HydrophobicContact CB-CE1 3.83Å; D380-F384 HydrophobicContact CB-CZ 4.11Å; D380-F384 WeakPolarHBondContact O-CD1 3.28Å; D380-F384 WeakPolarHBondContact O-CE1 3.26Å |
| 381 | R | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -26.2 | -174.8 | -173.9 | 174.6 | -173.8 | 90.6 | 6.8 | 113.4 | H377 V379 D383 F384 G482 L483 E491 | H377-R381 WeakPolarHBondContact O-CB 3.46Å; H377-R381 PolarHBondContact O-N 3.23Å; V379-R381 PolarHBondContact O-N 3.35Å; R381-D383 PolarHBondContact O-N 2.83Å; R381-F384 HydrophobicContact CB-CD2 4.17Å; R381-F384 HydrophobicContact CB-CE2 4.16Å; R381-F384 HydrophobicContact CB-CG 4.48Å; R381-F384 HydrophobicContact CB-CZ 4.45Å; R381-F384 HydrophobicContact CG-CD2 3.95Å; R381-F384 HydrophobicContact CG-CE2 4.26Å; R381-F384 HydrophobicContact CG-CG 4.43Å; R381-F384 WeakPolarHBondContact O-CB 3.47Å; R381-F384 PolarHBondContact O-N 3.06Å; R381-F384 VanDerWaalsContact O-N 3.11Å; R381-G482 PolarHBondContact NE-O 2.69Å; R381-G482 PolarHBondContact NH2-O 3.07Å; R381-L483 WeakPolarHBondContact O-CD2 3.48Å; R381-E491 IonicContact CZ-OE1 3.33Å; R381-E491 IonicContact CZ-OE2 3.83Å; R381-E491 VanDerWaalsContact NH1-CD 3.35Å; R381-E491 IonicContact NH1-OE1 2.71Å; R381-E491 PolarHBondContact NH1-OE1 3.34Å; R381-E491 IonicContact NH1-OE2 2.91Å; R381-E491 PolarHBondContact NH1-OE2 2.77Å; R381-E491 VanDerWaalsContact NH1-OE2 3.14Å; R381-E491 IonicContact NH2-OE1 3.17Å; R381-E491 IonicContact NH2-OE2 2.88Å; R381-E491 PolarHBondContact NH2-OE2 3.36Å |
| 382 | C | 90.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 54% | 0.541 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56 | -39.7 | 175.9 | -73.7 | 0 | 0 | 0 | 0 | 112 | L378 V379 D380 | L378-C382 PolarHBondContact O-N 3.49Å; L378-C382 PolarHBondContact O-SG 3.27Å; V379-C382 WeakPolarHBondContact O-CB 3.2Å; V379-C382 PolarHBondContact O-N 2.85Å; D380-C382 VanDerWaalsContact C-N 3.28Å; D380-C382 PolarHBondContact O-N 2.55Å |
| 383 | D | 91.7 | Very high | 92.8 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 78% | 0.775 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 5 | -179.3 | -60.9 | -43.2 | 0 | 0 | 0 | 113.4 | D380 R381 P385 | D380-D383 PolarHBondContact O-N 3.28Å; R381-D383 PolarHBondContact O-N 2.83Å; D383-P385 WeakPolarHBondContact O-CD 3.39Å |
| 384 | F | 92.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | trans | -70.6 | 122.8 | -177.6 | -77.5 | 9.1 | 0 | 0 | 0 | 111.7 | H377 D380 R381 R388 R389 | H377-F384 AromaticContact CE1-CE2 3.78Å; D380-F384 VanDerWaalsContact C-CE1 3.42Å; D380-F384 HydrophobicContact CB-CE1 3.83Å; D380-F384 HydrophobicContact CB-CZ 4.11Å; D380-F384 WeakPolarHBondContact O-CD1 3.28Å; D380-F384 WeakPolarHBondContact O-CE1 3.26Å; R381-F384 HydrophobicContact CB-CD2 4.17Å; R381-F384 HydrophobicContact CB-CE2 4.16Å; R381-F384 HydrophobicContact CB-CG 4.48Å; R381-F384 HydrophobicContact CB-CZ 4.45Å; R381-F384 HydrophobicContact CG-CD2 3.95Å; R381-F384 HydrophobicContact CG-CE2 4.26Å; R381-F384 HydrophobicContact CG-CG 4.43Å; R381-F384 WeakPolarHBondContact O-CB 3.47Å; R381-F384 PolarHBondContact O-N 3.06Å; R381-F384 VanDerWaalsContact O-N 3.11Å; F384-R388 HydrophobicContact CB-CB 4.46Å; F384-R388 HydrophobicContact CD2-CG 3.98Å; F384-R388 HydrophobicContact CE2-CG 4.42Å; F384-R388 HydrophobicContact CG-CG 4.21Å; F384-R388 VanDerWaalsContact CZ-NH2 3.33Å; F384-R389 HydrophobicContact CB-CG 4.03Å; F384-R389 HydrophobicContact CD2-CG 4.07Å; F384-R389 PolarHBondContact O-NE 2.73Å; F384-R389 PolarHBondContact O-NH2 2.82Å | ||
| 385 | P | 94.3 | Very high | 92.7 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | trans | -61.6 | 156 | 171.9 | 28.4 | -35.3 | 0 | 0 | 0 | 110.5 | D383 E387 R388 | D383-P385 WeakPolarHBondContact O-CD 3.39Å; P385-E387 PolarHBondContact O-N 3.28Å; P385-E387 VanDerWaalsContact O-N 3.12Å; P385-R388 HydrophobicContact CG-CB 4.19Å; P385-R388 PolarHBondContact O-N 3.04Å | ||
| 386 | I | 94.1 | Very high | 92.6 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -55.5 | -35.6 | -174.6 | -87.4 | 175.4 | 0 | 0 | 0 | 111.4 | R388 R389 T390 I480 | I386-R388 PolarHBondContact O-N 2.96Å; I386-R389 CarbonylContact O-C 3.52Å; I386-R389 PolarHBondContact O-N 3.34Å; I386-R389 VanDerWaalsContact O-N 3.1Å; I386-T390 WeakPolarHBondContact O-CB 3.43Å; I386-T390 PolarHBondContact O-N 2.92Å; I386-T390 PolarHBondContact O-OG1 3.31Å; I386-I480 HydrophobicContact CG1-CG2 4.44Å; I386-I480 HydrophobicContact CG2-CD1 4.19Å; I386-I480 HydrophobicContact CG2-CG2 4.04Å |
| 387 | E | 94.1 | Very high | 92.4 | Very high | 141 Ų | 141 | 64.1 Ų | 64.1 | 66% | 0.659 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -60.8 | -42.4 | -179.2 | -65.7 | 59.8 | -130.2 | 0 | 0 | 111.2 | P385 R389 T390 | P385-E387 PolarHBondContact O-N 3.28Å; P385-E387 VanDerWaalsContact O-N 3.12Å; E387-R389 PolarHBondContact O-N 3.12Å; E387-T390 PolarHBondContact O-N 3.29Å; E387-T390 VanDerWaalsContact O-N 3.14Å |
| 388 | R | 93.3 | Very high | 92.2 | Very high | 123 Ų | 123 | 67.8 Ų | 67.8 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -68 | -21.7 | 178.2 | -173.4 | 171.1 | 178.8 | -178 | -2.6 | 112.6 | F384 P385 I386 | F384-R388 HydrophobicContact CB-CB 4.46Å; F384-R388 HydrophobicContact CD2-CG 3.98Å; F384-R388 HydrophobicContact CE2-CG 4.42Å; F384-R388 HydrophobicContact CG-CG 4.21Å; F384-R388 VanDerWaalsContact CZ-NH2 3.33Å; P385-R388 HydrophobicContact CG-CB 4.19Å; P385-R388 PolarHBondContact O-N 3.04Å; I386-R388 PolarHBondContact O-N 2.96Å |
| 389 | R | 94.4 | Very high | 92.1 | Very high | 26 Ų | 26 | 67.7 Ų | 67.7 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -104.7 | 9.4 | 175.9 | -64.5 | 176.7 | -72.9 | 104.7 | -3.8 | 113.1 | F384 I386 E387 I480 F481 | F384-R389 HydrophobicContact CB-CG 4.03Å; F384-R389 HydrophobicContact CD2-CG 4.07Å; F384-R389 PolarHBondContact O-NE 2.73Å; F384-R389 PolarHBondContact O-NH2 2.82Å; I386-R389 CarbonylContact O-C 3.52Å; I386-R389 PolarHBondContact O-N 3.34Å; I386-R389 VanDerWaalsContact O-N 3.1Å; E387-R389 PolarHBondContact O-N 3.12Å; R389-I480 WeakPolarHBondContact O-CA 3.14Å; R389-F481 WeakPolarHBondContact CB-O 3.48Å; R389-F481 PolarHBondContact NH1-O 3.09Å; R389-F481 PolarHBondContact O-N 3.42Å |
| 390 | T | 95.2 | Very high | 92.2 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.5 | -177.4 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | I386 E387 R478 R479 I480 | I386-T390 WeakPolarHBondContact O-CB 3.43Å; I386-T390 PolarHBondContact O-N 2.92Å; I386-T390 PolarHBondContact O-OG1 3.31Å; E387-T390 PolarHBondContact O-N 3.29Å; E387-T390 VanDerWaalsContact O-N 3.14Å; T390-R478 HydrophobicContact CG2-CB 4.36Å; T390-R479 CarbonylContact C-O 3.22Å; T390-R479 VanDerWaalsContact CA-O 3.28Å; T390-R479 WeakPolarHBondContact CA-O 3.14Å; T390-I480 HydrophobicContact CG2-CG1 4.32Å |
| 391 | F | 94.6 | Very high | 92.3 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 152 | -177.7 | -64.3 | -87.6 | 0 | 0 | 0 | 112.2 | R478 R479 F481 E491 F494 R495 | F391-R478 CarbonylContact O-C 3.46Å; F391-R478 WeakPolarHBondContact O-CA 3.46Å; F391-R479 PolarHBondContact N-O 3.44Å; F391-R479 PolarHBondContact O-N 2.96Å; F391-F481 HydrophobicContact CB-CE2 4.35Å; F391-F481 HydrophobicContact CD2-CD2 4.03Å; F391-F481 HydrophobicContact CD2-CE2 4.05Å; F391-E491 HydrophobicContact CD2-CG 3.99Å; F391-E491 VanDerWaalsContact CE2-CD 3.47Å; F391-E491 HydrophobicContact CE2-CG 3.76Å; F391-F494 HydrophobicContact CB-CD1 4.25Å; F391-F494 HydrophobicContact CB-CE1 3.77Å; F391-R495 HydrophobicContact CD1-CG 4.14Å; F391-R495 HydrophobicContact CE1-CG 4.31Å; F391-R495 HydrophobicContact CG-CG 4.31Å |
| 392 | W | 94.5 | Very high | 92.3 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | trans | -108.5 | 145.5 | 173.7 | -70 | 86.5 | 0 | 0 | 0 | 109.8 | R394 M401 R478 | W392-R394 HydrophobicContact CB-CG 4.06Å; W392-R394 VanDerWaalsContact CG-NH1 3.25Å; W392-R394 PolarHBondContact O-N 3.23Å; W392-M401 HydrophobicContact CE3-CE 3.94Å; W392-M401 HydrophobicContact CE3-SD 4.27Å; W392-M401 HydrophobicContact CZ3-CE 4.38Å; W392-R478 HydrophobicContact CD2-CB 3.92Å; W392-R478 HydrophobicContact CE3-CB 4.12Å; W392-R478 HydrophobicContact CG-CB 4.5Å; W392-R478 HydrophobicContact CH2-CB 4.17Å; W392-R478 HydrophobicContact CZ2-CB 3.96Å; W392-R478 HydrophobicContact CZ3-CB 4.24Å | ||
| 393 | P | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -74.3 | 74.2 | -180 | 30.2 | -35.7 | 0 | 0 | 0 | 111.2 | M401 L402 V403 L473 G477 F494 | P393-M401 HydrophobicContact CG-CE 3.63Å; P393-M401 HydrophobicContact CG-SD 4.1Å; P393-M401 CarbonylContact O-C 3.43Å; P393-M401 WeakPolarHBondContact O-CA 3.31Å; P393-L402 PolarHBondContact O-N 3.34Å; P393-V403 HydrophobicContact CB-CG2 3.99Å; P393-V403 HydrophobicContact CG-CG2 3.54Å; P393-L473 HydrophobicContact CB-CD1 3.63Å; P393-G477 WeakPolarHBondContact CD-O 3.11Å; P393-F494 HydrophobicContact CB-CE2 4.2Å; P393-F494 HydrophobicContact CB-CZ 3.84Å |
| 394 | R | 94.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -156.6 | 152.9 | 179.7 | 61.2 | -179.1 | -173.4 | -119 | -5.7 | 109.8 | W392 A396 M401 | W392-R394 HydrophobicContact CB-CG 4.06Å; W392-R394 VanDerWaalsContact CG-NH1 3.25Å; W392-R394 PolarHBondContact O-N 3.23Å; R394-A396 WeakPolarHBondContact CD-O 3.19Å; R394-A396 VanDerWaalsContact CG-O 3.31Å; R394-A396 WeakPolarHBondContact CG-O 3.19Å; R394-A396 PolarHBondContact NE-O 3.11Å; R394-A396 PolarHBondContact O-N 3.44Å; R394-M401 HydrophobicContact CB-SD 4.49Å |
| 395 | S | 88.5 | Confident | 92.4 | Very high | 62 Ų | 62 | 70.8 Ų | 70.8 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -71.9 | -25.8 | -174.9 | -49.1 | 0 | 0 | 0 | 0 | 114.6 | C498 | S395-C498 VanDerWaalsContact CA-O 3.23Å; S395-C498 WeakPolarHBondContact CA-O 3.14Å; S395-C498 VanDerWaalsContact CB-O 3.31Å; S395-C498 WeakPolarHBondContact CB-O 3.01Å; S395-C498 PolarHBondContact OG-O 3.41Å |
| 396 | A | 88.1 | Confident | 92 | Very high | 47 Ų | 47 | 68.7 Ų | 68.7 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -155.6 | 167.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R394 A399 | R394-A396 WeakPolarHBondContact CD-O 3.19Å; R394-A396 VanDerWaalsContact CG-O 3.31Å; R394-A396 WeakPolarHBondContact CG-O 3.19Å; R394-A396 PolarHBondContact NE-O 3.11Å; R394-A396 PolarHBondContact O-N 3.44Å; A396-A399 HydrophobicContact CB-CB 4.15Å; A396-A399 WeakPolarHBondContact O-CB 3.17Å; A396-A399 PolarHBondContact O-N 3.26Å |
| 397 | P | 87 | Confident | 90.9 | Very high | 117 Ų | 117 | 76 Ų | 76 | 76% | 0.76 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 141.5 | 161.5 | -24.4 | 35.6 | 0 | 0 | 0 | 111.2 | A399 | P397-A399 PolarHBondContact O-N 2.8Š|
| 398 | G | 86.4 | Confident | 89.2 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 89% | 0.887 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -20.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 399 | A | 91.1 | Very high | 87.3 | Confident | 27 Ų | 27 | 73 Ų | 73 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -67.8 | 150.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A396 P397 | A396-A399 HydrophobicContact CB-CB 4.15Å; A396-A399 WeakPolarHBondContact O-CB 3.17Å; A396-A399 PolarHBondContact O-N 3.26Å; P397-A399 PolarHBondContact O-N 2.8Å |
| 400 | P | 91.2 | Very high | 84.8 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 140.6 | 177.5 | -27.3 | 35.3 | 0 | 0 | 0 | 113.8 | L402 | P400-L402 PolarHBondContact O-N 2.75Š|
| 401 | M | 93 | Very high | 82.1 | Confident | 67 Ų | 67 | 85.6 Ų | 85.6 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 121.8 | 177.3 | -68.5 | -80.6 | -79.8 | 0 | 0 | 110.9 | W392 P393 R394 V403 | W392-M401 HydrophobicContact CE3-CE 3.94Å; W392-M401 HydrophobicContact CE3-SD 4.27Å; W392-M401 HydrophobicContact CZ3-CE 4.38Å; P393-M401 HydrophobicContact CG-CE 3.63Å; P393-M401 HydrophobicContact CG-SD 4.1Å; P393-M401 CarbonylContact O-C 3.43Å; P393-M401 WeakPolarHBondContact O-CA 3.31Å; R394-M401 HydrophobicContact CB-SD 4.49Å; M401-V403 HydrophobicContact CB-CG2 4.32Å; M401-V403 HydrophobicContact CE-CG2 4.27Å; M401-V403 PolarHBondContact O-N 3.2Å |
| 402 | L | 94.6 | Very high | 79.2 | Confident | 6 Ų | 6 | 90.9 Ų | 90.9 | 3% | 0.031 | 48% | 0.479 | C | S | . | . | trans | -80.5 | 47.5 | 179.1 | -61.7 | 177.6 | 0 | 0 | 0 | 112 | P393 P400 L472 L473 F497 C498 R501 | P393-L402 PolarHBondContact O-N 3.34Å; P400-L402 PolarHBondContact O-N 2.75Å; L402-L472 HydrophobicContact CB-CD2 4.23Å; L402-L472 HydrophobicContact CD2-CD2 4.14Å; L402-L473 PolarHBondContact O-N 3.08Å; L402-F497 HydrophobicContact CB-CE1 4.38Å; L402-C498 WeakPolarHBondContact CD1-O 3.43Å; L402-R501 HydrophobicContact CD1-CG 4.26Å; L402-R501 HydrophobicContact CD2-CG 4.34Å | ||
| 403 | V | 93.7 | Very high | 76.3 | Confident | 18 Ų | 18 | 91.4 Ų | 91.4 | 11% | 0.109 | 50% | 0.496 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 137.9 | -177.2 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | P393 M401 R405 L473 | P393-V403 HydrophobicContact CB-CG2 3.99Å; P393-V403 HydrophobicContact CG-CG2 3.54Å; M401-V403 HydrophobicContact CB-CG2 4.32Å; M401-V403 HydrophobicContact CE-CG2 4.27Å; M401-V403 PolarHBondContact O-N 3.2Å; V403-R405 PolarHBondContact O-N 2.84Å; V403-L473 CarbonylContact C-O 3.45Å; V403-L473 WeakPolarHBondContact CA-O 3.19Å |
| 404 | C | 92.2 | Very high | 73.2 | Confident | 13 Ų | 13 | 99.3 Ų | 99.3 | 9% | 0.088 | 53% | 0.533 | C | S | . | . | trans | -57.1 | 133.6 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | C406 C467 L472 L473 | C404-C406 PolarHBondContact SG-N 2.81Å; C404-C406 VanDerWaalsContact SG-N 3.36Å; C404-C467 HydrophobicContact CB-CB 3.75Å; C404-C467 VanDerWaalsContact SG-CB 3.58Å; C404-C467 PolarHBondContact SG-SG 3.42Å; C404-L472 HydrophobicContact CB-CB 4.49Å; C404-L473 PolarHBondContact N-O 3.35Å | ||
| 405 | R | 89 | Confident | 70.1 | Confident | 228 Ų | 228 | 101.6 Ų | 101.6 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | trans | -118.2 | 14.5 | 172.7 | -61.3 | -172.6 | -179 | -169 | -0.7 | 113.2 | V403 | V403-R405 PolarHBondContact O-N 2.84Š| ||
| 406 | C | 87.8 | Confident | 67 | Low | 31 Ų | 31 | 105.7 Ų | 105.7 | 21% | 0.209 | 57% | 0.572 | C | S | . | * | trans | -65.5 | 138.9 | -179.7 | -66 | 0 | 0 | 0 | 0 | 111.9 | C404 S408 R409 E469 | C404-C406 PolarHBondContact SG-N 2.81Å; C404-C406 VanDerWaalsContact SG-N 3.36Å; C406-S408 PolarHBondContact O-N 2.95Å; C406-R409 PolarHBondContact O-N 3.42Å; C406-E469 WeakPolarHBondContact CB-OE2 3.1Å; C406-E469 PolarHBondContact SG-OE2 3.11Å | ||
| 407 | R | 69.1 | Low | 64.1 | Low | 237 Ų | 237 | 110.4 Ų | 110.4 | 89% | 0.894 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -60.5 | -25.4 | 179 | -73.1 | -174.2 | 172.5 | -165.1 | -1.9 | 113.4 | R409 S410 | R407-R409 PolarHBondContact O-N 2.96Å; R407-S410 PolarHBondContact O-N 3.45Å |
| 408 | S | 58.4 | Low | 61.2 | Low | 80 Ų | 80 | 113.3 Ų | 113.3 | 56% | 0.559 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -60 | -7.7 | -178.3 | -46.2 | 0 | 0 | 0 | 0 | 115 | C406 E469 | C406-S408 PolarHBondContact O-N 2.95Å; S408-E469 WeakPolarHBondContact CB-OE1 3.01Å; S408-E469 PolarHBondContact OG-OE1 2.69Å; S408-E469 PolarHBondContact OG-OE2 3.4Å |
| 409 | R | 55.2 | Low | 58.1 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 45% | 0.453 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -80 | -17.7 | -179.8 | -158.9 | 171.9 | -177.8 | -142.2 | -7.2 | 114.7 | C406 R407 K411 H412 C474 | C406-R409 PolarHBondContact O-N 3.42Å; R407-R409 PolarHBondContact O-N 2.96Å; R409-K411 PolarHBondContact O-N 3.07Å; R409-H412 PolarHBondContact O-N 2.96Å; R409-C474 PolarHBondContact NH1-O 2.81Å; R409-C474 PolarHBondContact NH2-O 2.82Å |
| 410 | S | 42 | Very low | 54.9 | Low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 18.2 | -175.8 | -59.5 | 0 | 0 | 0 | 0 | 116.1 | R407 | R407-S410 PolarHBondContact O-N 3.45Š|
| 411 | K | 37.1 | Very low | 51.5 | Low | 206 Ų | 206 | 123 Ų | 123 | 90% | 0.896 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 14.8 | 172.6 | -70.6 | -163.9 | 174.6 | -169.9 | 0 | 114 | R409 | R409-K411 PolarHBondContact O-N 3.07Š|
| 412 | H | 35 | Very low | 48.2 | Very low | 158 Ų | 158 | 125 Ų | 125 | 73% | 0.731 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -113.3 | 137.1 | 171.7 | -132.5 | -87.3 | 0 | 0 | 0 | 110.5 | R409 | R409-H412 PolarHBondContact O-N 2.96Š|
| 413 | P | 33.9 | Very low | 44.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -59.9 | 139.1 | -168.9 | -27.6 | 36.1 | 0 | 0 | 0 | 114.6 | S415 | P413-S415 PolarHBondContact O-N 2.64Š| ||
| 414 | Q | 29.3 | Very low | 41.5 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | trans | -81 | 107.9 | 170.8 | -63.1 | -179.2 | 6.4 | 0 | 0 | 109.3 | H416 | Q414-H416 PolarHBondContact O-N 2.84Š| ||
| 415 | S | 29.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -74.3 | 70.9 | 167.8 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | P413 | P413-S415 PolarHBondContact O-N 2.64Š| ||
| 416 | H | 24.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 141 Ų | 141 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | -71.2 | 157.8 | 165.6 | -108.7 | -97.4 | 0 | 0 | 0 | 110.3 | Q414 | Q414-H416 PolarHBondContact O-N 2.84Š| ||
| 417 | N | 26.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 76.9 | 173.6 | -55.5 | -10.1 | 0 | 0 | 0 | 115.4 | N419 | N417-N419 PolarHBondContact O-N 2.95Š| ||
| 418 | L | 25.5 | Very low | 30.4 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 107.3 | 150.9 | -79.1 | 167.5 | 0 | 0 | 0 | 108.9 | ||||
| 419 | N | 20.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -154.4 | 160 | 163.4 | -114 | -14.2 | 0 | 0 | 0 | 109 | N417 | N417-N419 PolarHBondContact O-N 2.95Š| ||
| 420 | I | 24.3 | Very low | 27.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 76 | 150.3 | -175.2 | -54.6 | 176.1 | 0 | 0 | 0 | 113.7 | ||||
| 421 | S | 20.5 | Very low | 26.3 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -126.6 | 172.6 | -158.3 | 54.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 422 | C | 22.8 | Very low | 25.8 | Very low | 108 Ų | 108 | 144 Ų | 144 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 73.1 | 133.4 | 159.8 | -57.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 423 | T | 22.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 31.2 | 118.9 | 140.7 | 60.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 424 | N | 24.9 | Very low | 24.8 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -164.1 | 174.5 | 66.7 | -124.5 | -25.4 | 0 | 0 | 0 | 114.4 | |||||
| 425 | N | 26.7 | Very low | 24.5 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -69.5 | 125 | 169.9 | -68.6 | -44.6 | 0 | 0 | 0 | 111.7 | ||||
| 426 | Q | 24.8 | Very low | 24.4 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -174.9 | 131 | 136 | -102 | 158.1 | 17.2 | 0 | 0 | 109.5 | ||||
| 427 | I | 27.7 | Very low | 24.3 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -117 | 99.4 | 162.3 | -61.8 | 177.5 | 0 | 0 | 0 | 105.2 | ||||
| 428 | P | 26.7 | Very low | 24.4 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 142.2 | 175.2 | -20.9 | 33.8 | 0 | 0 | 0 | 110.8 | ||||
| 429 | I | 21.4 | Very low | 24.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -99 | 131.2 | 161.5 | -45.1 | 175.7 | 0 | 0 | 0 | 104.7 | ||||
| 430 | D | 24.2 | Very low | 24.4 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 170.4 | 172.1 | 130.2 | -82.8 | -14.2 | 0 | 0 | 0 | 112.7 | ||||
| 431 | D | 24.9 | Very low | 24.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | -40.3 | 144.2 | -161.6 | -81.6 | -60.3 | 0 | 0 | 0 | 123.1 | ||||
| 432 | N | 25 | Very low | 24.6 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | 21.8 | 109.3 | 124 | -60.9 | -63.4 | 0 | 0 | 0 | 118.7 | |||||
| 433 | S | 27.9 | Very low | 24.7 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -135.7 | 129.8 | 153.2 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 434 | E | 21.2 | Very low | 24.9 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -84.7 | 170.5 | -177.8 | -60 | -177.1 | 115.3 | 0 | 0 | 113.4 | ||||
| 435 | S | 22.2 | Very low | 25 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 68.5 | 146.8 | 178.8 | 82.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 436 | N | 27.5 | Very low | 25 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | cis | -141.3 | 163.1 | 38.6 | -158.1 | -6.9 | 0 | 0 | 0 | 113.4 | ||||
| 437 | S | 22 | Very low | 25.3 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -80 | 151.3 | -178.7 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 438 | N | 29 | Very low | 25.4 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 160.2 | 149.2 | -103.9 | -46.7 | 0 | 0 | 0 | 110.4 | ||||
| 439 | S | 20.8 | Very low | 25.5 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -123.9 | 179.2 | -146.8 | 53.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 440 | C | 26.1 | Very low | 26.2 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 78.3 | 151.8 | 164.8 | -57.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 441 | P | 28.8 | Very low | 26.7 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -130.9 | -179.5 | -50.5 | 36.9 | -22.3 | 0 | 0 | 0 | 113 | |||||
| 442 | E | 20.6 | Very low | 27.3 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -76.7 | 149.9 | -174.2 | -57.5 | 176.3 | 100.9 | 0 | 0 | 114.9 | ||||
| 443 | T | 23.2 | Very low | 28 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -163.3 | 156.3 | 141.5 | -0.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 444 | D | 28 | Very low | 29 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | 59.1 | 91.1 | 169.8 | -67.8 | 2.1 | 0 | 0 | 0 | 120.7 | ||||
| 445 | K | 25.7 | Very low | 30.3 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -86.5 | 97.4 | 166.3 | -61.3 | 164.8 | -177.3 | 167 | 0 | 110.9 | ||||
| 446 | S | 28 | Very low | 31.4 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -159.2 | 25 | 170.5 | 60.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 447 | S | 30.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | -148.1 | 118.2 | 162 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | K449 | S447-K449 PolarHBondContact O-N 3.24Š| ||
| 448 | V | 30.6 | Very low | 34.5 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 92% | 0.915 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 75.1 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | L450 | V448-L450 PolarHBondContact O-N 3Š| ||
| 449 | K | 28.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | trans | -71 | 96.6 | 170.7 | -70.5 | -177.4 | -179.6 | 177.5 | 0 | 108.7 | S447 S451 | S447-K449 PolarHBondContact O-N 3.24Å; K449-S451 PolarHBondContact O-N 3.12Å | ||
| 450 | L | 36 | Very low | 38.7 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | trans | -55.9 | 103.6 | 178.5 | -173.9 | 70.1 | 0 | 0 | 0 | 110.4 | V448 V452 | V448-L450 PolarHBondContact O-N 3Å; L450-V452 HydrophobicContact CD2-CG2 4.28Å; L450-V452 HydrophobicContact CG-CG2 4.31Å; L450-V452 PolarHBondContact O-N 3.37Å | ||
| 451 | S | 33.5 | Very low | 41.6 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | trans | -80.4 | 66.6 | -172.7 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | K449 P453 | K449-S451 PolarHBondContact O-N 3.12Å; S451-P453 VanDerWaalsContact O-CD 3.23Å; S451-P453 WeakPolarHBondContact O-CD 3.49Å; S451-P453 VanDerWaalsContact O-N 3.13Å | ||
| 452 | V | 37.1 | Very low | 44.4 | Very low | 59 Ų | 59 | 112 Ų | 112 | 36% | 0.358 | 61% | 0.608 | S | S | . | * | trans | -53.8 | 116.3 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | L450 M454 | L450-V452 HydrophobicContact CD2-CG2 4.28Å; L450-V452 HydrophobicContact CG-CG2 4.31Å; L450-V452 PolarHBondContact O-N 3.37Å; V452-M454 PolarHBondContact O-N 3.25Å | ||
| 453 | P | 41.4 | Very low | 47.6 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | trans | -59.5 | 113 | -172.5 | -28.3 | 36.6 | 0 | 0 | 0 | 111.3 | R301 S451 I455 | R301-P453 VanDerWaalsContact CZ-O 3.26Å; R301-P453 PolarHBondContact NH1-O 3.03Å; R301-P453 PolarHBondContact NH2-O 2.72Å; S451-P453 VanDerWaalsContact O-CD 3.23Å; S451-P453 WeakPolarHBondContact O-CD 3.49Å; S451-P453 VanDerWaalsContact O-N 3.13Å; P453-I455 PolarHBondContact O-N 3.39Å | ||
| 454 | M | 47.3 | Very low | 50.8 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | trans | -69.3 | 118.7 | -178.8 | -83.2 | -77.7 | 160.1 | 0 | 0 | 109.3 | V452 K456 I468 | V452-M454 PolarHBondContact O-N 3.25Å; M454-K456 PolarHBondContact O-N 2.95Å; M454-K456 VanDerWaalsContact O-N 3.09Å; M454-I468 HydrophobicContact CB-CD1 4.35Å; M454-I468 HydrophobicContact CE-CG2 3.57Å; M454-I468 HydrophobicContact CG-CD1 3.92Å; M454-I468 HydrophobicContact CG-CG2 4.47Å; M454-I468 HydrophobicContact SD-CD1 4.01Å; M454-I468 HydrophobicContact SD-CG1 4.02Å; M454-I468 HydrophobicContact SD-CG2 3.98Å | ||
| 455 | I | 48.7 | Very low | 53.9 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | trans | -70.5 | 108.2 | 169 | -75.6 | 166.3 | 0 | 0 | 0 | 105.5 | R301 P453 | R301-I455 VanDerWaalsContact NH2-CG1 3.34Å; P453-I455 PolarHBondContact O-N 3.39Å | ||
| 456 | K | 46.6 | Very low | 57 | Low | 185 Ų | 185 | 91.3 Ų | 91.3 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | trans | -53.6 | 126.4 | 155.1 | -71.3 | -176.5 | 177.2 | -179.6 | 0 | 106 | M454 | M454-K456 PolarHBondContact O-N 2.95Å; M454-K456 VanDerWaalsContact O-N 3.09Å | ||
| 457 | P | 53.5 | Low | 60 | Low | 47 Ų | 47 | 86.9 Ų | 86.9 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | trans | -56.9 | 147.1 | -179 | 24.9 | -34.2 | 0 | 0 | 0 | 109.8 | Y459 | P457-Y459 WeakPolarHBondContact CB-O 3.28Å; P457-Y459 WeakPolarHBondContact CG-O 3.34Å; P457-Y459 CarbonylContact O-C 3.23Å; P457-Y459 PolarHBondContact O-N 2.94Å | ||
| 458 | K | 60.3 | Low | 62.6 | Low | 111 Ų | 111 | 87.3 Ų | 87.3 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -51.9 | -26.1 | -177.8 | -59.8 | 177.9 | -167.5 | 168.8 | 0 | 112.9 | E24 W521 I522 | E24-K458 WeakPolarHBondContact OE1-CE 3.26Å; E24-K458 IonicContact OE1-NZ 3.86Å; E24-K458 PolarHBondContact OE1-NZ 2.86Å; K458-W521 PolarHBondContact NZ-O 3.49Å; K458-I522 HydrophobicContact CB-CD1 4.36Å |
| 459 | Y | 66.2 | Low | 65.2 | Low | 67 Ų | 67 | 84 Ų | 84 | 26% | 0.263 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -125.8 | 119.1 | 165.1 | 177.2 | -99.8 | 0 | 0 | 0 | 109.1 | P457 D461 W486 R490 | P457-Y459 WeakPolarHBondContact CB-O 3.28Å; P457-Y459 WeakPolarHBondContact CG-O 3.34Å; P457-Y459 CarbonylContact O-C 3.23Å; P457-Y459 PolarHBondContact O-N 2.94Å; Y459-D461 HydrophobicContact CD1-CB 4.33Å; Y459-D461 HydrophobicContact CE1-CB 3.74Å; Y459-W486 AromaticContact CE1-CZ2 3.95Å; Y459-W486 HydrophobicContact CE1-CZ2 3.95Å; Y459-W486 HydrophobicContact CE2-CZ2 4.21Å; Y459-W486 AromaticContact CZ-CZ2 3.65Å; Y459-R490 PolarHBondContact OH-NH2 2.95Å |
| 460 | S | 73 | Confident | 68.2 | Low | 76 Ų | 76 | 77.4 Ų | 77.4 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | trans | -90.1 | 124.6 | 170.8 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | P462 | S460-P462 WeakPolarHBondContact O-CD 3.44Š| ||
| 461 | D | 87 | Confident | 70.8 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | trans | -107.4 | 102.1 | 174.5 | -165 | -20.7 | 0 | 0 | 0 | 110.7 | Y459 E463 L464 E465 R490 R493 | Y459-D461 HydrophobicContact CD1-CB 4.33Å; Y459-D461 HydrophobicContact CE1-CB 3.74Å; D461-E463 PolarHBondContact O-N 3.39Å; D461-E463 VanDerWaalsContact O-N 3.09Å; D461-E463 PolarHBondContact OD1-N 3.44Å; D461-L464 HydrophobicContact CB-CB 4.27Å; D461-L464 CarbonylContact O-C 3.5Å; D461-L464 PolarHBondContact O-N 3.05Å; D461-E465 PolarHBondContact O-N 3.44Å; D461-R490 VanDerWaalsContact CG-NH2 3.3Å; D461-R490 IonicContact OD1-CZ 2.75Å; D461-R490 IonicContact OD1-NE 3.64Å; D461-R490 PolarHBondContact OD1-NE 3.36Å; D461-R490 IonicContact OD1-NH2 2.76Å; D461-R490 PolarHBondContact OD1-NH2 3.37Å; D461-R490 IonicContact OD2-CZ 3.73Å; D461-R490 IonicContact OD2-NE 3.68Å; D461-R490 PolarHBondContact OD2-NE 3.36Å; D461-R490 IonicContact OD2-NH2 2.72Å; D461-R490 PolarHBondContact OD2-NH2 3.31Å; D461-R493 IonicContact OD2-NH1 2.71Å | ||
| 462 | P | 85.9 | Confident | 73.7 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.2 | -177.4 | -24.1 | 35.3 | 0 | 0 | 0 | 114.6 | S460 | S460-P462 WeakPolarHBondContact O-CD 3.44Š|
| 463 | E | 87.7 | Confident | 76.4 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -29.6 | 176.7 | -60 | -49.8 | 125.3 | 0 | 0 | 112.7 | D461 K475 R479 | D461-E463 PolarHBondContact O-N 3.39Å; D461-E463 VanDerWaalsContact O-N 3.09Å; D461-E463 PolarHBondContact OD1-N 3.44Å; E463-K475 IonicContact OE1-NZ 2.6Å; E463-K475 PolarHBondContact OE1-NZ 3.3Å; E463-K475 WeakPolarHBondContact OE2-CD 3.46Å; E463-K475 IonicContact OE2-NZ 2.71Å; E463-K475 PolarHBondContact OE2-NZ 3.48Å; E463-R479 PolarHBondContact O-NE 3.44Å; E463-R479 PolarHBondContact O-NH2 2.79Å; E463-R479 WeakPolarHBondContact OE2-CD 3.2Å; E463-R479 IonicContact OE2-CZ 2.78Å; E463-R479 IonicContact OE2-NE 3.43Å; E463-R479 PolarHBondContact OE2-NE 3.08Å; E463-R479 VanDerWaalsContact OE2-NE 3.15Å |
| 464 | L | 92.4 | Very high | 78.8 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -1.5 | -170.4 | -84.8 | 67.2 | 0 | 0 | 0 | 113.5 | D461 V466 L473 R490 R493 F494 | D461-L464 HydrophobicContact CB-CB 4.27Å; D461-L464 CarbonylContact O-C 3.5Å; D461-L464 PolarHBondContact O-N 3.05Å; L464-V466 PolarHBondContact O-N 3.02Å; L464-L473 WeakPolarHBondContact O-CD2 3.45Å; L464-R490 HydrophobicContact CD1-CG 3.59Å; L464-R490 HydrophobicContact CD2-CG 4.37Å; L464-R493 HydrophobicContact CD2-CB 3.6Å; L464-F494 HydrophobicContact CD1-CB 4.01Å; L464-F494 HydrophobicContact CD1-CD2 4.21Å; L464-F494 HydrophobicContact CD2-CB 4.38Å; L464-F494 HydrophobicContact CG-CB 4.13Å; L464-F494 HydrophobicContact CG-CD2 4.43Å |
| 465 | E | 91.1 | Very high | 80.9 | Confident | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | trans | -53.5 | 131.4 | 178.6 | -172.5 | -172 | -133.8 | 0 | 0 | 111.5 | D461 L473 C474 | D461-E465 PolarHBondContact O-N 3.44Å; E465-L473 CarbonylContact O-C 3.42Å; E465-L473 WeakPolarHBondContact O-CA 3.27Å; E465-C474 HydrophobicContact CB-CB 4.3Å; E465-C474 HydrophobicContact CG-CB 4.35Å; E465-C474 PolarHBondContact O-N 2.92Å; E465-C474 WeakPolarHBondContact OE2-CB 3.16Å; E465-C474 PolarHBondContact OE2-SG 3.09Å | ||
| 466 | V | 91.3 | Very high | 82.8 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -109.3 | 138.4 | 178.5 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | L464 I468 L473 F497 T503 | L464-V466 PolarHBondContact O-N 3.02Å; V466-I468 PolarHBondContact O-N 3.48Å; V466-L473 HydrophobicContact CG1-CD2 4.22Å; V466-F497 HydrophobicContact CG1-CD2 4.09Å; V466-F497 HydrophobicContact CG1-CE2 3.64Å; V466-F497 HydrophobicContact CG1-CZ 3.98Å; V466-T503 HydrophobicContact CG1-CG2 4.22Å; V466-T503 HydrophobicContact CG2-CG2 4.17Å |
| 467 | C | 91.3 | Very high | 84.8 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | trans | -69.3 | 127.5 | -179.5 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | C404 E469 G471 L472 | C404-C467 HydrophobicContact CB-CB 3.75Å; C404-C467 VanDerWaalsContact SG-CB 3.58Å; C404-C467 PolarHBondContact SG-SG 3.42Å; C467-E469 PolarHBondContact O-N 3.22Å; C467-G471 VanDerWaalsContact O-CA 3.24Å; C467-G471 WeakPolarHBondContact O-CA 3.37Å; C467-G471 PolarHBondContact O-N 2.78Å; C467-L472 WeakPolarHBondContact CB-O 3.48Å; C467-L472 PolarHBondContact N-O 3.41Å | ||
| 468 | I | 84.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 57 Ų | 57 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.6 | -180 | -67.9 | 156.3 | 0 | 0 | 0 | 112.9 | R280 H281 M454 V466 | R280-I468 WeakPolarHBondContact CD-O 3.39Å; H281-I468 PolarHBondContact CE1-O 2.62Å; M454-I468 HydrophobicContact CB-CD1 4.35Å; M454-I468 HydrophobicContact CE-CG2 3.57Å; M454-I468 HydrophobicContact CG-CD1 3.92Å; M454-I468 HydrophobicContact CG-CG2 4.47Å; M454-I468 HydrophobicContact SD-CD1 4.01Å; M454-I468 HydrophobicContact SD-CG1 4.02Å; M454-I468 HydrophobicContact SD-CG2 3.98Å; V466-I468 PolarHBondContact O-N 3.48Å |
| 469 | E | 86.4 | Confident | 88.2 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -61.1 | -178.7 | -62 | 174.4 | -173.4 | 0 | 0 | 112.1 | R280 C406 S408 C467 | R280-E469 WeakPolarHBondContact CD-O 3.35Å; R280-E469 PolarHBondContact NH1-O 2.88Å; C406-E469 WeakPolarHBondContact CB-OE2 3.1Å; C406-E469 PolarHBondContact SG-OE2 3.11Å; S408-E469 WeakPolarHBondContact CB-OE1 3.01Å; S408-E469 PolarHBondContact OG-OE1 2.69Å; S408-E469 PolarHBondContact OG-OE2 3.4Å; C467-E469 PolarHBondContact O-N 3.22Å |
| 470 | C | 91.2 | Very high | 89.6 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14 | -171.4 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | R280 L472 | R280-C470 VanDerWaalsContact CZ-C 3.48Å; R280-C470 PolarHBondContact NH1-O 3.26Å; R280-C470 VanDerWaalsContact NH1-O 3.14Å; R280-C470 PolarHBondContact NH2-O 3.11Å; C470-L472 VanDerWaalsContact C-N 3.26Å; C470-L472 HydrophobicContact CB-CG 4.49Å; C470-L472 PolarHBondContact O-N 3.38Å |
| 471 | G | 91 | Very high | 90.6 | Very high | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | trans | 71.6 | 13.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | C467 F497 | C467-G471 VanDerWaalsContact O-CA 3.24Å; C467-G471 WeakPolarHBondContact O-CA 3.37Å; C467-G471 PolarHBondContact O-N 2.78Å; G471-F497 VanDerWaalsContact O-CZ 3.26Å; G471-F497 WeakPolarHBondContact O-CZ 3.32Å | ||
| 472 | L | 94 | Very high | 91 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -101.4 | 158 | 178.5 | -60.2 | -179.2 | 0 | 0 | 0 | 111.5 | L402 C404 C467 C470 C474 | L402-L472 HydrophobicContact CB-CD2 4.23Å; L402-L472 HydrophobicContact CD2-CD2 4.14Å; C404-L472 HydrophobicContact CB-CB 4.49Å; C467-L472 WeakPolarHBondContact CB-O 3.48Å; C467-L472 PolarHBondContact N-O 3.41Å; C470-L472 VanDerWaalsContact C-N 3.26Å; C470-L472 HydrophobicContact CB-CG 4.49Å; C470-L472 PolarHBondContact O-N 3.38Å; L472-C474 PolarHBondContact O-N 3.31Å |
| 473 | L | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 134 | -176.7 | -72.9 | 161.1 | 0 | 0 | 0 | 112.1 | P393 L402 V403 C404 L464 E465 V466 F494 F497 | P393-L473 HydrophobicContact CB-CD1 3.63Å; L402-L473 PolarHBondContact O-N 3.08Å; V403-L473 CarbonylContact C-O 3.45Å; V403-L473 WeakPolarHBondContact CA-O 3.19Å; C404-L473 PolarHBondContact N-O 3.35Å; L464-L473 WeakPolarHBondContact O-CD2 3.45Å; E465-L473 CarbonylContact O-C 3.42Å; E465-L473 WeakPolarHBondContact O-CA 3.27Å; V466-L473 HydrophobicContact CG1-CD2 4.22Å; L473-F494 HydrophobicContact CD1-CD2 4.18Å; L473-F494 HydrophobicContact CD1-CE2 3.68Å; L473-F494 HydrophobicContact CD1-CZ 4.43Å; L473-F497 HydrophobicContact CD1-CD1 3.74Å; L473-F497 HydrophobicContact CD1-CE1 3.87Å; L473-F497 HydrophobicContact CD2-CD1 4.23Å; L473-F497 HydrophobicContact CD2-CE1 4.4Å; L473-F497 HydrophobicContact CG-CD1 3.77Å; L473-F497 HydrophobicContact CG-CE1 3.6Å; L473-F497 HydrophobicContact CG-CZ 4.4Å |
| 474 | C | 91.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -68.6 | -49.4 | 177.2 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | R409 E465 L472 | R409-C474 PolarHBondContact NH1-O 2.81Å; R409-C474 PolarHBondContact NH2-O 2.82Å; E465-C474 HydrophobicContact CB-CB 4.3Å; E465-C474 HydrophobicContact CG-CB 4.35Å; E465-C474 PolarHBondContact O-N 2.92Å; E465-C474 WeakPolarHBondContact OE2-CB 3.16Å; E465-C474 PolarHBondContact OE2-SG 3.09Å; L472-C474 PolarHBondContact O-N 3.31Å |
| 475 | K | 91.2 | Very high | 91.7 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -82 | 125.6 | -176.6 | -175.7 | -176.3 | -175.3 | -169.6 | 0 | 111.5 | E463 R479 | E463-K475 IonicContact OE1-NZ 2.6Å; E463-K475 PolarHBondContact OE1-NZ 3.3Å; E463-K475 WeakPolarHBondContact OE2-CD 3.46Å; E463-K475 IonicContact OE2-NZ 2.71Å; E463-K475 PolarHBondContact OE2-NZ 3.48Å; K475-R479 PolarHBondContact O-NH2 3.25Å |
| 476 | S | 87.8 | Confident | 91.9 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | trans | -79.6 | -176.1 | 178.2 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | R479 | S476-R479 PolarHBondContact O-NH1 3.48Š| ||
| 477 | G | 89.3 | Confident | 92.2 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 76.4 | 178.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.5 | P393 R479 | P393-G477 WeakPolarHBondContact CD-O 3.11Å; G477-R479 PolarHBondContact O-NH1 2.75Å |
| 478 | R | 92.4 | Very high | 92.5 | Very high | 158 Ų | 158 | 47 Ų | 47 | 60% | 0.596 | 26% | 0.256 | S | S | * | . | trans | -68.5 | 154.7 | 172.2 | 66.2 | -177.3 | 179.1 | -174.5 | 0.4 | 111.5 | T390 F391 W392 | T390-R478 HydrophobicContact CG2-CB 4.36Å; F391-R478 CarbonylContact O-C 3.46Å; F391-R478 WeakPolarHBondContact O-CA 3.46Å; W392-R478 HydrophobicContact CD2-CB 3.92Å; W392-R478 HydrophobicContact CE3-CB 4.12Å; W392-R478 HydrophobicContact CG-CB 4.5Å; W392-R478 HydrophobicContact CH2-CB 4.17Å; W392-R478 HydrophobicContact CZ2-CB 3.96Å; W392-R478 HydrophobicContact CZ3-CB 4.24Å | ||
| 479 | R | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147 | 164.3 | -62 | -65.9 | 179.9 | -79.8 | -10.2 | 108.6 | T390 F391 E463 K475 S476 G477 F481 F494 | T390-R479 CarbonylContact C-O 3.22Å; T390-R479 VanDerWaalsContact CA-O 3.28Å; T390-R479 WeakPolarHBondContact CA-O 3.14Å; F391-R479 PolarHBondContact N-O 3.44Å; F391-R479 PolarHBondContact O-N 2.96Å; E463-R479 PolarHBondContact O-NE 3.44Å; E463-R479 PolarHBondContact O-NH2 2.79Å; E463-R479 WeakPolarHBondContact OE2-CD 3.2Å; E463-R479 IonicContact OE2-CZ 2.78Å; E463-R479 IonicContact OE2-NE 3.43Å; E463-R479 PolarHBondContact OE2-NE 3.08Å; E463-R479 VanDerWaalsContact OE2-NE 3.15Å; K475-R479 PolarHBondContact O-NH2 3.25Å; S476-R479 PolarHBondContact O-NH1 3.48Å; G477-R479 PolarHBondContact O-NH1 2.75Å; R479-F481 HydrophobicContact CB-CD2 4.2Å; R479-F481 HydrophobicContact CB-CE1 4.09Å; R479-F481 HydrophobicContact CB-CE2 3.49Å; R479-F481 VanDerWaalsContact CB-CE2 3.49Å; R479-F481 HydrophobicContact CB-CZ 3.43Å; R479-F481 VanDerWaalsContact CB-CZ 3.43Å; R479-F481 HydrophobicContact CG-CE1 4.36Å; R479-F481 HydrophobicContact CG-CE2 4.22Å; R479-F481 HydrophobicContact CG-CZ 3.71Å; R479-F494 HydrophobicContact CB-CZ 4.42Å; R479-F494 HydrophobicContact CG-CD2 4.09Å; R479-F494 HydrophobicContact CG-CE1 4.19Å; R479-F494 HydrophobicContact CG-CE2 3.55Å; R479-F494 HydrophobicContact CG-CZ 3.6Å |
| 480 | I | 94.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 40 Ų | 40 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 114.4 | 167.3 | -49.7 | -179.4 | 0 | 0 | 0 | 104.8 | I386 R389 T390 | I386-I480 HydrophobicContact CG1-CG2 4.44Å; I386-I480 HydrophobicContact CG2-CD1 4.19Å; I386-I480 HydrophobicContact CG2-CG2 4.04Å; R389-I480 WeakPolarHBondContact O-CA 3.14Å; T390-I480 HydrophobicContact CG2-CG1 4.32Å |
| 481 | F | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | trans | -93.3 | 142.7 | -177 | -59.5 | -78.8 | 0 | 0 | 0 | 110.7 | R389 F391 R479 E487 R490 E491 F494 | R389-F481 WeakPolarHBondContact CB-O 3.48Å; R389-F481 PolarHBondContact NH1-O 3.09Å; R389-F481 PolarHBondContact O-N 3.42Å; F391-F481 HydrophobicContact CB-CE2 4.35Å; F391-F481 HydrophobicContact CD2-CD2 4.03Å; F391-F481 HydrophobicContact CD2-CE2 4.05Å; R479-F481 HydrophobicContact CB-CD2 4.2Å; R479-F481 HydrophobicContact CB-CE1 4.09Å; R479-F481 HydrophobicContact CB-CE2 3.49Å; R479-F481 VanDerWaalsContact CB-CE2 3.49Å; R479-F481 HydrophobicContact CB-CZ 3.43Å; R479-F481 VanDerWaalsContact CB-CZ 3.43Å; R479-F481 HydrophobicContact CG-CE1 4.36Å; R479-F481 HydrophobicContact CG-CE2 4.22Å; R479-F481 HydrophobicContact CG-CZ 3.71Å; F481-E487 WeakPolarHBondContact CA-OE2 3.42Å; F481-R490 HydrophobicContact CD1-CB 4.46Å; F481-R490 HydrophobicContact CD1-CG 4.06Å; F481-R490 HydrophobicContact CE1-CG 3.83Å; F481-E491 HydrophobicContact CB-CB 4Å; F481-E491 HydrophobicContact CB-CG 4.38Å; F481-E491 HydrophobicContact CD1-CB 4.14Å; F481-E491 HydrophobicContact CD2-CB 3.63Å; F481-E491 HydrophobicContact CD2-CG 3.46Å; F481-E491 VanDerWaalsContact CD2-CG 3.46Å; F481-E491 HydrophobicContact CE2-CB 4.08Å; F481-E491 HydrophobicContact CE2-CG 3.87Å; F481-E491 HydrophobicContact CG-CB 3.64Å; F481-E491 HydrophobicContact CG-CG 4Å; F481-F494 HydrophobicContact CE1-CB 4.4Å; F481-F494 HydrophobicContact CE2-CB 4.42Å; F481-F494 AromaticContact CE2-CD1 3.93Å; F481-F494 HydrophobicContact CE2-CD1 3.93Å; F481-F494 HydrophobicContact CE2-CE1 4.45Å; F481-F494 HydrophobicContact CE2-CG 4.24Å; F481-F494 HydrophobicContact CZ-CB 3.68Å; F481-F494 AromaticContact CZ-CD1 3.77Å; F481-F494 HydrophobicContact CZ-CD1 3.77Å; F481-F494 HydrophobicContact CZ-CD2 4.14Å; F481-F494 HydrophobicContact CZ-CE1 4.42Å; F481-F494 AromaticContact CZ-CG 3.61Å; F481-F494 HydrophobicContact CZ-CG 3.61Å | ||
| 482 | G | 93.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | trans | -69.1 | -178.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | R381 E487 | R381-G482 PolarHBondContact NE-O 2.69Å; R381-G482 PolarHBondContact NH2-O 3.07Å; G482-E487 PolarHBondContact N-OE2 2.68Å; G482-E487 WeakPolarHBondContact O-CB 3.45Å | ||
| 483 | L | 93.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 36.2 Ų | 36.2 | 42% | 0.424 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -83.3 | -18.7 | -175.6 | -55 | 177 | 0 | 0 | 0 | 113.6 | R381 | R381-L483 WeakPolarHBondContact O-CD2 3.48Š|
| 484 | S | 94 | Very high | 94.5 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 43% | 0.434 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -74.7 | 161.9 | -170.9 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | W486 E487 A488 | S484-W486 VanDerWaalsContact C-N 3.33Å; S484-W486 PolarHBondContact O-N 3.31Å; S484-E487 PolarHBondContact O-N 3.08Å; S484-E487 WeakPolarHBondContact OG-CG 3.46Å; S484-E487 PolarHBondContact OG-N 3.4Å; S484-A488 PolarHBondContact O-N 2.75Å |
| 485 | A | 94.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -41.9 | -56 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L258 L378 E487 A488 V489 L508 | L258-A485 HydrophobicContact CD2-CB 3.38Å; L378-A485 HydrophobicContact CD1-CB 3.82Å; A485-E487 VanDerWaalsContact C-N 3.3Å; A485-E487 PolarHBondContact O-N 3.41Å; A485-A488 PolarHBondContact O-N 3.37Å; A485-V489 PolarHBondContact O-N 2.97Å; A485-L508 HydrophobicContact CB-CD2 4.17Å |
| 486 | W | 95.6 | Very high | 95 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 22% | 0.223 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.4 | -46.2 | 176.7 | -174.3 | -86.5 | 0 | 0 | 0 | 113 | Y459 S484 V489 R490 Q527 E529 | Y459-W486 AromaticContact CE1-CZ2 3.95Å; Y459-W486 HydrophobicContact CE1-CZ2 3.95Å; Y459-W486 HydrophobicContact CE2-CZ2 4.21Å; Y459-W486 AromaticContact CZ-CZ2 3.65Å; S484-W486 VanDerWaalsContact C-N 3.33Å; S484-W486 PolarHBondContact O-N 3.31Å; W486-V489 PolarHBondContact O-N 3.35Å; W486-R490 WeakPolarHBondContact O-CB 3.01Å; W486-R490 PolarHBondContact O-N 2.85Å; W486-Q527 HydrophobicContact CD2-CG 4.44Å; W486-Q527 VanDerWaalsContact CD2-NE2 3.3Å; W486-Q527 VanDerWaalsContact CE2-NE2 3.32Å; W486-Q527 HydrophobicContact CE3-CG 4.42Å; W486-Q527 HydrophobicContact CH2-CG 3.58Å; W486-Q527 WeakPolarHBondContact CH2-O 3.47Å; W486-Q527 HydrophobicContact CZ2-CG 3.56Å; W486-Q527 HydrophobicContact CZ3-CG 4.02Å; W486-Q527 PolarHBondContact O-NE2 3.29Å; W486-E529 HydrophobicContact CE3-CB 4.04Å; W486-E529 HydrophobicContact CZ3-CB 4.09Å |
| 487 | E | 96.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.9 | -36.4 | -177.2 | -76.1 | -67.8 | 113.1 | 0 | 0 | 112.9 | F481 G482 S484 A485 V489 R490 E491 | F481-E487 WeakPolarHBondContact CA-OE2 3.42Å; G482-E487 PolarHBondContact N-OE2 2.68Å; G482-E487 WeakPolarHBondContact O-CB 3.45Å; S484-E487 PolarHBondContact O-N 3.08Å; S484-E487 WeakPolarHBondContact OG-CG 3.46Å; S484-E487 PolarHBondContact OG-N 3.4Å; A485-E487 VanDerWaalsContact C-N 3.3Å; A485-E487 PolarHBondContact O-N 3.41Å; E487-V489 VanDerWaalsContact C-N 3.34Å; E487-R490 PolarHBondContact O-N 2.91Å; E487-R490 WeakPolarHBondContact OE1-CD 3.29Å; E487-R490 IonicContact OE1-CZ 3.9Å; E487-R490 IonicContact OE1-NE 3.15Å; E487-R490 IonicContact OE1-NH1 3.29Å; E487-R490 PolarHBondContact OE1-NH1 3.19Å; E487-E491 WeakPolarHBondContact O-CB 3.19Å; E487-E491 PolarHBondContact O-N 2.83Å |
| 488 | A | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L378 S484 A485 E491 M492 | L378-A488 HydrophobicContact CD2-CB 3.83Å; S484-A488 PolarHBondContact O-N 2.75Å; A485-A488 PolarHBondContact O-N 3.37Å; A488-E491 WeakPolarHBondContact O-CB 3.07Å; A488-E491 PolarHBondContact O-N 3.46Å; A488-M492 HydrophobicContact CB-CE 4.33Å; A488-M492 WeakPolarHBondContact O-CG 3.18Å; A488-M492 PolarHBondContact O-N 2.96Å |
| 489 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.9 | -34.9 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | V260 I374 A485 W486 E487 E491 M492 R493 A506 L508 | V260-V489 HydrophobicContact CB-CG2 4.41Å; V260-V489 HydrophobicContact CG1-CG1 4.26Å; V260-V489 HydrophobicContact CG1-CG2 3.83Å; V260-V489 HydrophobicContact CG2-CG2 3.64Å; I374-V489 HydrophobicContact CD1-CG2 4.26Å; A485-V489 PolarHBondContact O-N 2.97Å; W486-V489 PolarHBondContact O-N 3.35Å; E487-V489 VanDerWaalsContact C-N 3.34Å; V489-E491 VanDerWaalsContact C-N 3.33Å; V489-M492 HydrophobicContact CG2-CE 3.8Å; V489-M492 HydrophobicContact CG2-SD 4.16Å; V489-M492 PolarHBondContact O-N 2.82Å; V489-R493 HydrophobicContact CG1-CG 4.49Å; V489-R493 WeakPolarHBondContact O-CD 3.11Å; V489-R493 WeakPolarHBondContact O-CG 3.25Å; V489-R493 PolarHBondContact O-N 3.39Å; V489-R493 VanDerWaalsContact O-N 3.07Å; V489-A506 HydrophobicContact CG1-CB 3.4Å; V489-L508 HydrophobicContact CB-CD1 4.35Å; V489-L508 HydrophobicContact CB-CD2 4.26Å; V489-L508 HydrophobicContact CG1-CD1 4.06Å; V489-L508 HydrophobicContact CG2-CD1 4.29Å; V489-L508 HydrophobicContact CG2-CD2 3.72Å; V489-L508 HydrophobicContact CG2-CG 3.97Å |
| 490 | R | 97.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 13% | 0.125 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 170.9 | -179 | -177.5 | -96.1 | 160.7 | -15.5 | 111.3 | Y459 D461 L464 F481 W486 E487 R493 F494 | Y459-R490 PolarHBondContact OH-NH2 2.95Å; D461-R490 VanDerWaalsContact CG-NH2 3.3Å; D461-R490 IonicContact OD1-CZ 2.75Å; D461-R490 IonicContact OD1-NE 3.64Å; D461-R490 PolarHBondContact OD1-NE 3.36Å; D461-R490 IonicContact OD1-NH2 2.76Å; D461-R490 PolarHBondContact OD1-NH2 3.37Å; D461-R490 IonicContact OD2-CZ 3.73Å; D461-R490 IonicContact OD2-NE 3.68Å; D461-R490 PolarHBondContact OD2-NE 3.36Å; D461-R490 IonicContact OD2-NH2 2.72Å; D461-R490 PolarHBondContact OD2-NH2 3.31Å; L464-R490 HydrophobicContact CD1-CG 3.59Å; L464-R490 HydrophobicContact CD2-CG 4.37Å; F481-R490 HydrophobicContact CD1-CB 4.46Å; F481-R490 HydrophobicContact CD1-CG 4.06Å; F481-R490 HydrophobicContact CE1-CG 3.83Å; W486-R490 WeakPolarHBondContact O-CB 3.01Å; W486-R490 PolarHBondContact O-N 2.85Å; E487-R490 PolarHBondContact O-N 2.91Å; E487-R490 WeakPolarHBondContact OE1-CD 3.29Å; E487-R490 IonicContact OE1-CZ 3.9Å; E487-R490 IonicContact OE1-NE 3.15Å; E487-R490 IonicContact OE1-NH1 3.29Å; E487-R490 PolarHBondContact OE1-NH1 3.19Å; R490-R493 PolarHBondContact O-N 2.86Å; R490-F494 WeakPolarHBondContact O-CB 3.02Å; R490-F494 PolarHBondContact O-N 3Å |
| 491 | E | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 174.7 | -174.4 | -176.1 | 100.7 | 0 | 0 | 112 | Y344 R381 F391 F481 E487 A488 V489 R493 F494 R495 | Y344-E491 VanDerWaalsContact CE1-OE1 3.23Å; Y344-E491 WeakPolarHBondContact CE1-OE1 3.48Å; Y344-E491 WeakPolarHBondContact OH-CG 3.28Å; Y344-E491 PolarHBondContact OH-OE1 2.77Å; R381-E491 IonicContact CZ-OE1 3.33Å; R381-E491 IonicContact CZ-OE2 3.83Å; R381-E491 VanDerWaalsContact NH1-CD 3.35Å; R381-E491 IonicContact NH1-OE1 2.71Å; R381-E491 PolarHBondContact NH1-OE1 3.34Å; R381-E491 IonicContact NH1-OE2 2.91Å; R381-E491 PolarHBondContact NH1-OE2 2.77Å; R381-E491 VanDerWaalsContact NH1-OE2 3.14Å; R381-E491 IonicContact NH2-OE1 3.17Å; R381-E491 IonicContact NH2-OE2 2.88Å; R381-E491 PolarHBondContact NH2-OE2 3.36Å; F391-E491 HydrophobicContact CD2-CG 3.99Å; F391-E491 VanDerWaalsContact CE2-CD 3.47Å; F391-E491 HydrophobicContact CE2-CG 3.76Å; F481-E491 HydrophobicContact CB-CB 4Å; F481-E491 HydrophobicContact CB-CG 4.38Å; F481-E491 HydrophobicContact CD1-CB 4.14Å; F481-E491 HydrophobicContact CD2-CB 3.63Å; F481-E491 HydrophobicContact CD2-CG 3.46Å; F481-E491 VanDerWaalsContact CD2-CG 3.46Å; F481-E491 HydrophobicContact CE2-CB 4.08Å; F481-E491 HydrophobicContact CE2-CG 3.87Å; F481-E491 HydrophobicContact CG-CB 3.64Å; F481-E491 HydrophobicContact CG-CG 4Å; E487-E491 WeakPolarHBondContact O-CB 3.19Å; E487-E491 PolarHBondContact O-N 2.83Å; A488-E491 WeakPolarHBondContact O-CB 3.07Å; A488-E491 PolarHBondContact O-N 3.46Å; V489-E491 VanDerWaalsContact C-N 3.33Å; E491-R493 VanDerWaalsContact C-N 3.33Å; E491-R493 PolarHBondContact O-N 3.2Å; E491-F494 PolarHBondContact O-N 2.8Å; E491-R495 HydrophobicContact CG-CG 4.46Å; E491-R495 WeakPolarHBondContact O-CB 3.4Å; E491-R495 WeakPolarHBondContact O-CG 3.31Å; E491-R495 PolarHBondContact O-N 3.3Å |
| 492 | M | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -51.3 | -52.5 | 174.1 | -69.7 | 170 | -144.4 | 0 | 0 | 111.2 | L341 Y344 L372 I374 A488 V489 F494 R495 V496 | L341-M492 HydrophobicContact CD2-CB 4.1Å; L341-M492 HydrophobicContact CD2-CG 4.27Å; L341-M492 HydrophobicContact CD2-SD 4.18Å; Y344-M492 HydrophobicContact CD1-CE 3.61Å; Y344-M492 HydrophobicContact CD1-CG 3.72Å; Y344-M492 HydrophobicContact CD1-SD 4.42Å; Y344-M492 HydrophobicContact CD2-CG 3.52Å; Y344-M492 HydrophobicContact CD2-SD 4.46Å; Y344-M492 HydrophobicContact CE1-CE 4.43Å; Y344-M492 HydrophobicContact CE1-CG 3.85Å; Y344-M492 HydrophobicContact CE2-CB 4.45Å; Y344-M492 HydrophobicContact CE2-CG 3.66Å; Y344-M492 HydrophobicContact CG-CE 3.73Å; Y344-M492 HydrophobicContact CG-CG 3.58Å; Y344-M492 HydrophobicContact CG-SD 4.14Å; L372-M492 HydrophobicContact CD2-SD 4.19Å; I374-M492 HydrophobicContact CD1-CE 3.95Å; I374-M492 HydrophobicContact CG2-CE 4.01Å; A488-M492 HydrophobicContact CB-CE 4.33Å; A488-M492 WeakPolarHBondContact O-CG 3.18Å; A488-M492 PolarHBondContact O-N 2.96Å; V489-M492 HydrophobicContact CG2-CE 3.8Å; V489-M492 HydrophobicContact CG2-SD 4.16Å; V489-M492 PolarHBondContact O-N 2.82Å; M492-F494 PolarHBondContact O-N 3.37Å; M492-R495 PolarHBondContact O-N 3.05Å; M492-V496 WeakPolarHBondContact O-CB 3.33Å; M492-V496 WeakPolarHBondContact O-CG2 2.8Å; M492-V496 PolarHBondContact O-N 3.17Å |
| 493 | R | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | -177 | -67.4 | 169.3 | 65.5 | -122.5 | -13.9 | 111.7 | D461 L464 V489 R490 E491 F497 C504 C525 | D461-R493 IonicContact OD2-NH1 2.71Å; L464-R493 HydrophobicContact CD2-CB 3.6Å; V489-R493 HydrophobicContact CG1-CG 4.49Å; V489-R493 WeakPolarHBondContact O-CD 3.11Å; V489-R493 WeakPolarHBondContact O-CG 3.25Å; V489-R493 PolarHBondContact O-N 3.39Å; V489-R493 VanDerWaalsContact O-N 3.07Å; R490-R493 PolarHBondContact O-N 2.86Å; E491-R493 VanDerWaalsContact C-N 3.33Å; E491-R493 PolarHBondContact O-N 3.2Å; R493-F497 PolarHBondContact O-N 2.97Å; R493-C504 PolarHBondContact NE-O 3.33Å; R493-C504 PolarHBondContact NH2-O 2.91Å; R493-C525 PolarHBondContact NH2-O 3.05Å |
| 494 | F | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 173.8 | 177.7 | -93.7 | 0 | 0 | 0 | 112.2 | F391 P393 L464 L473 R479 F481 R490 E491 M492 F497 C498 | F391-F494 HydrophobicContact CB-CD1 4.25Å; F391-F494 HydrophobicContact CB-CE1 3.77Å; P393-F494 HydrophobicContact CB-CE2 4.2Å; P393-F494 HydrophobicContact CB-CZ 3.84Å; L464-F494 HydrophobicContact CD1-CB 4.01Å; L464-F494 HydrophobicContact CD1-CD2 4.21Å; L464-F494 HydrophobicContact CD2-CB 4.38Å; L464-F494 HydrophobicContact CG-CB 4.13Å; L464-F494 HydrophobicContact CG-CD2 4.43Å; L473-F494 HydrophobicContact CD1-CD2 4.18Å; L473-F494 HydrophobicContact CD1-CE2 3.68Å; L473-F494 HydrophobicContact CD1-CZ 4.43Å; R479-F494 HydrophobicContact CB-CZ 4.42Å; R479-F494 HydrophobicContact CG-CD2 4.09Å; R479-F494 HydrophobicContact CG-CE1 4.19Å; R479-F494 HydrophobicContact CG-CE2 3.55Å; R479-F494 HydrophobicContact CG-CZ 3.6Å; F481-F494 HydrophobicContact CE1-CB 4.4Å; F481-F494 HydrophobicContact CE2-CB 4.42Å; F481-F494 AromaticContact CE2-CD1 3.93Å; F481-F494 HydrophobicContact CE2-CD1 3.93Å; F481-F494 HydrophobicContact CE2-CE1 4.45Å; F481-F494 HydrophobicContact CE2-CG 4.24Å; F481-F494 HydrophobicContact CZ-CB 3.68Å; F481-F494 AromaticContact CZ-CD1 3.77Å; F481-F494 HydrophobicContact CZ-CD1 3.77Å; F481-F494 HydrophobicContact CZ-CD2 4.14Å; F481-F494 HydrophobicContact CZ-CE1 4.42Å; F481-F494 AromaticContact CZ-CG 3.61Å; F481-F494 HydrophobicContact CZ-CG 3.61Å; R490-F494 WeakPolarHBondContact O-CB 3.02Å; R490-F494 PolarHBondContact O-N 3Å; E491-F494 PolarHBondContact O-N 2.8Å; M492-F494 PolarHBondContact O-N 3.37Å; F494-F497 PolarHBondContact O-N 2.72Å; F494-C498 VanDerWaalsContact CE1-SG 3.59Å; F494-C498 PolarHBondContact O-N 2.76Å; F494-C498 PolarHBondContact O-SG 2.89Å |
| 495 | R | 97.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 17% | 0.166 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | -179.8 | -69.6 | -179.4 | 69.6 | -157.7 | -5 | 112.4 | I340 E343 Y344 F391 E491 M492 F497 C498 A499 | I340-R495 HydrophobicContact CG2-CB 3.85Å; E343-R495 IonicContact OE1-CZ 2.68Å; E343-R495 IonicContact OE1-NH1 2.82Å; E343-R495 IonicContact OE1-NH2 3.62Å; E343-R495 PolarHBondContact OE1-NH2 3.15Å; E343-R495 IonicContact OE2-CZ 2.72Å; E343-R495 IonicContact OE2-NH1 3Å; E343-R495 PolarHBondContact OE2-NH1 3.42Å; E343-R495 IonicContact OE2-NH2 3.97Å; E343-R495 PolarHBondContact OE2-NH2 2.93Å; Y344-R495 WeakPolarHBondContact OH-CD 3.23Å; Y344-R495 PolarHBondContact OH-NH1 3.27Å; F391-R495 HydrophobicContact CD1-CG 4.14Å; F391-R495 HydrophobicContact CE1-CG 4.31Å; F391-R495 HydrophobicContact CG-CG 4.31Å; E491-R495 HydrophobicContact CG-CG 4.46Å; E491-R495 WeakPolarHBondContact O-CB 3.4Å; E491-R495 WeakPolarHBondContact O-CG 3.31Å; E491-R495 PolarHBondContact O-N 3.3Å; M492-R495 PolarHBondContact O-N 3.05Å; R495-F497 VanDerWaalsContact C-N 3.3Å; R495-F497 PolarHBondContact O-N 2.95Å; R495-C498 PolarHBondContact O-N 2.96Å; R495-C498 VanDerWaalsContact O-N 3.12Å; R495-A499 PolarHBondContact O-N 3.41Å |
| 496 | V | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.3 | -47.2 | 170.7 | 164.7 | 0 | 0 | 0 | 0 | 110.2 | M264 V337 I340 L341 M492 A499 T500 | M264-V496 HydrophobicContact CE-CG1 3.91Å; M264-V496 HydrophobicContact SD-CG1 3.87Å; V337-V496 HydrophobicContact CG1-CG1 4.29Å; V337-V496 HydrophobicContact CG1-CG2 4.22Å; V337-V496 HydrophobicContact CG2-CG1 4.18Å; I340-V496 HydrophobicContact CB-CG2 4.36Å; I340-V496 HydrophobicContact CG2-CG2 4.08Å; L341-V496 HydrophobicContact CD2-CG2 4.33Å; L341-V496 HydrophobicContact CG-CG2 4.44Å; M492-V496 WeakPolarHBondContact O-CB 3.33Å; M492-V496 WeakPolarHBondContact O-CG2 2.8Å; M492-V496 PolarHBondContact O-N 3.17Å; V496-A499 PolarHBondContact O-N 3.27Å; V496-T500 WeakPolarHBondContact O-CB 3.48Å; V496-T500 WeakPolarHBondContact O-CG2 3.44Å; V496-T500 PolarHBondContact O-N 2.9Å; V496-T500 PolarHBondContact O-OG1 3Å |
| 497 | F | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 4% | 0.044 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.1 | 179.5 | -87.2 | 0 | 0 | 0 | 112.1 | L402 V466 G471 L473 R493 F494 R495 A499 T500 R501 L502 T503 | L402-F497 HydrophobicContact CB-CE1 4.38Å; V466-F497 HydrophobicContact CG1-CD2 4.09Å; V466-F497 HydrophobicContact CG1-CE2 3.64Å; V466-F497 HydrophobicContact CG1-CZ 3.98Å; G471-F497 VanDerWaalsContact O-CZ 3.26Å; G471-F497 WeakPolarHBondContact O-CZ 3.32Å; L473-F497 HydrophobicContact CD1-CD1 3.74Å; L473-F497 HydrophobicContact CD1-CE1 3.87Å; L473-F497 HydrophobicContact CD2-CD1 4.23Å; L473-F497 HydrophobicContact CD2-CE1 4.4Å; L473-F497 HydrophobicContact CG-CD1 3.77Å; L473-F497 HydrophobicContact CG-CE1 3.6Å; L473-F497 HydrophobicContact CG-CZ 4.4Å; R493-F497 PolarHBondContact O-N 2.97Å; F494-F497 PolarHBondContact O-N 2.72Å; R495-F497 VanDerWaalsContact C-N 3.3Å; R495-F497 PolarHBondContact O-N 2.95Å; F497-A499 VanDerWaalsContact C-N 3.33Å; F497-A499 PolarHBondContact O-N 3.03Å; F497-T500 PolarHBondContact O-N 2.9Å; F497-R501 VanDerWaalsContact O-CA 3.26Å; F497-R501 WeakPolarHBondContact O-CA 3.24Å; F497-R501 PolarHBondContact O-N 2.68Å; F497-L502 WeakPolarHBondContact CA-O 3.46Å; F497-T503 HydrophobicContact CD2-CG2 4.08Å |
| 498 | C | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 5% | 0.047 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | -178 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | S395 L402 F494 R495 | S395-C498 VanDerWaalsContact CA-O 3.23Å; S395-C498 WeakPolarHBondContact CA-O 3.14Å; S395-C498 VanDerWaalsContact CB-O 3.31Å; S395-C498 WeakPolarHBondContact CB-O 3.01Å; S395-C498 PolarHBondContact OG-O 3.41Å; L402-C498 WeakPolarHBondContact CD1-O 3.43Å; F494-C498 VanDerWaalsContact CE1-SG 3.59Å; F494-C498 PolarHBondContact O-N 2.76Å; F494-C498 PolarHBondContact O-SG 2.89Å; R495-C498 PolarHBondContact O-N 2.96Å; R495-C498 VanDerWaalsContact O-N 3.12Å |
| 499 | A | 96.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 15.8 Ų | 15.8 | 34% | 0.339 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -81.3 | -33.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V336 I340 R495 V496 F497 | V336-A499 HydrophobicContact CG1-CB 3.78Å; I340-A499 HydrophobicContact CD1-CB 3.33Å; R495-A499 PolarHBondContact O-N 3.41Å; V496-A499 PolarHBondContact O-N 3.27Å; F497-A499 VanDerWaalsContact C-N 3.33Å; F497-A499 PolarHBondContact O-N 3.03Å |
| 500 | T | 96 | Very high | 96.5 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -111.8 | -19 | -168.6 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | R274 V336 V337 V496 F497 L502 | R274-T500 WeakPolarHBondContact CD-O 3.01Å; R274-T500 PolarHBondContact NH1-O 3.35Å; V336-T500 HydrophobicContact CB-CG2 4.1Å; V336-T500 HydrophobicContact CG1-CG2 3.73Å; V337-T500 HydrophobicContact CG2-CG2 3.93Å; V496-T500 WeakPolarHBondContact O-CB 3.48Å; V496-T500 WeakPolarHBondContact O-CG2 3.44Å; V496-T500 PolarHBondContact O-N 2.9Å; V496-T500 PolarHBondContact O-OG1 3Å; F497-T500 PolarHBondContact O-N 2.9Å; T500-L502 PolarHBondContact O-N 2.76Å; T500-L502 WeakPolarHBondContact OG1-CB 3.2Å; T500-L502 PolarHBondContact OG1-N 3.1Å; T500-L502 VanDerWaalsContact OG1-N 3.16Å |
| 501 | R | 95.8 | Very high | 96.3 | Very high | 134 Ų | 134 | 15 Ų | 15 | 51% | 0.506 | 7% | 0.074 | S | C | . | . | S | Bend | trans | 57.7 | 27.5 | -165.1 | -54.2 | 179.8 | -174.5 | 171.4 | 0.7 | 114.4 | R274 L402 F497 | R274-R501 HydrophobicContact CG-CB 4.1Å; L402-R501 HydrophobicContact CD1-CG 4.26Å; L402-R501 HydrophobicContact CD2-CG 4.34Å; F497-R501 VanDerWaalsContact O-CA 3.26Å; F497-R501 WeakPolarHBondContact O-CA 3.24Å; F497-R501 PolarHBondContact O-N 2.68Å |
| 502 | L | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | trans | -119.5 | 145.6 | 178 | -54.1 | 171.4 | 0 | 0 | 0 | 109.7 | M264 F267 A270 V271 R274 A333 F497 T500 | M264-L502 HydrophobicContact CE-CB 3.46Å; M264-L502 VanDerWaalsContact CE-CB 3.46Å; M264-L502 HydrophobicContact CE-CD1 4.18Å; M264-L502 HydrophobicContact CE-CG 4.47Å; F267-L502 HydrophobicContact CD2-CD1 3.97Å; F267-L502 HydrophobicContact CE2-CD1 3.57Å; A270-L502 HydrophobicContact CB-CD2 3.94Å; A270-L502 WeakPolarHBondContact O-CD2 3.5Å; V271-L502 HydrophobicContact CG2-CD1 3.75Å; V271-L502 HydrophobicContact CG2-CD2 4.42Å; R274-L502 HydrophobicContact CB-CD2 4.02Å; A333-L502 HydrophobicContact CB-CD1 4.31Å; F497-L502 WeakPolarHBondContact CA-O 3.46Å; T500-L502 PolarHBondContact O-N 2.76Å; T500-L502 WeakPolarHBondContact OG1-CB 3.2Å; T500-L502 PolarHBondContact OG1-N 3.1Å; T500-L502 VanDerWaalsContact OG1-N 3.16Å | ||
| 503 | T | 95.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 16 Ų | 16 | 21% | 0.209 | 8% | 0.08 | C | C | . | . | trans | -92.7 | 159.1 | 175.5 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | M264 D265 V466 F497 | M264-T503 WeakPolarHBondContact CE-O 3.26Å; D265-T503 VanDerWaalsContact CB-OG1 3.29Å; D265-T503 WeakPolarHBondContact CB-OG1 3.37Å; D265-T503 PolarHBondContact N-O 3.09Å; D265-T503 WeakPolarHBondContact OD2-CB 3.4Å; D265-T503 PolarHBondContact OD2-OG1 2.71Å; V466-T503 HydrophobicContact CG1-CG2 4.22Å; V466-T503 HydrophobicContact CG2-CG2 4.17Å; F497-T503 HydrophobicContact CD2-CG2 4.08Å | ||
| 504 | C | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 152 | 170.3 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | V262 D263 M264 R493 | V262-C504 HydrophobicContact CG1-CB 3.9Å; D263-C504 CarbonylContact O-C 3.46Å; D263-C504 VanDerWaalsContact O-CA 3.28Å; D263-C504 WeakPolarHBondContact O-CA 3.35Å; D263-C504 VanDerWaalsContact O-CB 3.31Å; D263-C504 WeakPolarHBondContact O-CB 3.4Å; M264-C504 HydrophobicContact CE-CB 4.46Å; M264-C504 HydrophobicContact SD-CB 3.64Å; R493-C504 PolarHBondContact NE-O 3.33Å; R493-C504 PolarHBondContact NH2-O 2.91Å |
| 505 | S | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 151.9 | 164.9 | -96.9 | 0 | 0 | 0 | 0 | 111.1 | V262 D263 K523 C525 G526 | V262-S505 WeakPolarHBondContact CA-O 3.4Å; D263-S505 PolarHBondContact N-O 3.37Å; D263-S505 PolarHBondContact O-N 2.66Å; S505-K523 WeakPolarHBondContact OG-CA 3.46Å; S505-C525 PolarHBondContact OG-N 3.35Å; S505-G526 WeakPolarHBondContact CA-O 3.48Å; S505-G526 WeakPolarHBondContact CB-O 3.05Å; S505-G526 PolarHBondContact OG-N 2.78Å; S505-G526 VanDerWaalsContact OG-N 3.1Å; S505-G526 PolarHBondContact OG-O 3.26Å |
| 506 | A | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 151.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V260 H261 V262 V489 G526 Q527 H528 | V260-A506 HydrophobicContact CG1-CB 4.33Å; H261-A506 CarbonylContact O-C 3.55Å; H261-A506 WeakPolarHBondContact O-CA 3.23Å; V262-A506 HydrophobicContact CG2-CB 4.43Å; V489-A506 HydrophobicContact CG1-CB 3.4Å; A506-G526 PolarHBondContact N-O 3.18Å; A506-G526 VanDerWaalsContact N-O 3.12Å; A506-Q527 HydrophobicContact CB-CB 4.12Å; A506-Q527 VanDerWaalsContact O-CA 3.24Å; A506-Q527 WeakPolarHBondContact O-CA 3.32Å; A506-H528 PolarHBondContact O-N 2.75Å; A506-H528 VanDerWaalsContact O-N 3.14Å |
| 507 | G | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V260 H261 A515 H528 | V260-G507 CarbonylContact C-O 3.29Å; V260-G507 WeakPolarHBondContact CA-O 3.2Å; H261-G507 PolarHBondContact N-O 3.24Å; H261-G507 PolarHBondContact O-N 2.9Å; G507-A515 WeakPolarHBondContact CA-O 3.14Å; G507-H528 CarbonylContact C-O 3.59Å; G507-H528 WeakPolarHBondContact CA-O 3.01Å |
| 508 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.7 | -179.2 | -56 | 77.4 | 0 | 0 | 0 | 108.9 | L258 I259 V260 A485 V489 H528 E529 I530 | L258-L508 HydrophobicContact CD1-CB 4.3Å; L258-L508 HydrophobicContact CD2-CD2 4.42Å; I259-L508 WeakPolarHBondContact O-CA 2.91Å; V260-L508 HydrophobicContact CG2-CG 4.36Å; A485-L508 HydrophobicContact CB-CD2 4.17Å; V489-L508 HydrophobicContact CB-CD1 4.35Å; V489-L508 HydrophobicContact CB-CD2 4.26Å; V489-L508 HydrophobicContact CG1-CD1 4.06Å; V489-L508 HydrophobicContact CG2-CD1 4.29Å; V489-L508 HydrophobicContact CG2-CD2 3.72Å; V489-L508 HydrophobicContact CG2-CG 3.97Å; L508-H528 WeakPolarHBondContact CD1-O 3.4Å; L508-H528 PolarHBondContact N-O 3.22Å; L508-E529 HydrophobicContact CB-CB 3.96Å; L508-E529 HydrophobicContact CB-CG 3.89Å; L508-E529 HydrophobicContact CD1-CB 4.3Å; L508-E529 HydrophobicContact CD2-CB 4.41Å; L508-E529 HydrophobicContact CD2-CG 4.32Å; L508-E529 HydrophobicContact CG-CB 4.46Å; L508-I530 PolarHBondContact O-N 2.95Å |
| 509 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | -175.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | I259 N511 I530 N532 | I259-G509 PolarHBondContact N-O 3.46Å; I259-G509 PolarHBondContact O-N 2.85Å; I259-G509 VanDerWaalsContact O-O 3.14Å; G509-N511 VanDerWaalsContact C-N 3.27Å; G509-N511 PolarHBondContact O-N 2.76Å; G509-I530 WeakPolarHBondContact CA-O 3.47Å; G509-N532 VanDerWaalsContact C-OD1 3.23Å |
| 510 | P | 91.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.013 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -77.4 | -10.3 | -169.6 | 27.2 | -33.2 | 0 | 0 | 0 | 114.3 | F255 R257 N532 V537 | F255-P510 HydrophobicContact CD1-CB 3.81Å; F255-P510 HydrophobicContact CD1-CG 3.87Å; F255-P510 HydrophobicContact CE1-CB 4.46Å; F255-P510 HydrophobicContact CE1-CG 4.08Å; R257-P510 WeakPolarHBondContact O-CA 3.44Å; P510-N532 WeakPolarHBondContact CA-OD1 3.42Å; P510-N532 HydrophobicContact CB-CB 4.25Å; P510-N532 VanDerWaalsContact CD-OD1 3.25Å; P510-N532 WeakPolarHBondContact CD-OD1 3.44Å; P510-V537 HydrophobicContact CG-CG2 3.69Å |
| 511 | N | 92.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -157.3 | 165.1 | -177.6 | 70.6 | 67.4 | 0 | 0 | 0 | 112.6 | G509 L513 I514 A515 G596 S598 D600 | G509-N511 VanDerWaalsContact C-N 3.27Å; G509-N511 PolarHBondContact O-N 2.76Å; N511-L513 VanDerWaalsContact C-N 3.34Å; N511-L513 PolarHBondContact O-N 3Å; N511-L513 WeakPolarHBondContact OD1-CB 3.47Å; N511-L513 PolarHBondContact OD1-N 2.69Å; N511-L513 VanDerWaalsContact OD1-N 3.15Å; N511-I514 PolarHBondContact O-N 3.47Å; N511-I514 PolarHBondContact OD1-N 3.26Å; N511-I514 VanDerWaalsContact OD1-N 3.13Å; N511-A515 WeakPolarHBondContact O-CB 3.49Å; N511-A515 PolarHBondContact O-N 3.07Å; N511-G596 PolarHBondContact ND2-O 2.91Å; N511-G596 PolarHBondContact OD1-O 3.21Å; N511-S598 VanDerWaalsContact CB-OG 3.29Å; N511-S598 WeakPolarHBondContact CB-OG 3.48Å; N511-S598 PolarHBondContact OD1-OG 3.46Å; N511-D600 WeakPolarHBondContact CA-OD2 3.45Å; N511-D600 WeakPolarHBondContact CB-OD2 3.49Å |
| 512 | T | 91.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64 | -32.7 | -172.5 | 65.5 | 0 | 0 | 0 | 0 | 114 | I259 Y371 K516 S598 D600 W602 L603 | I259-T512 HydrophobicContact CG2-CG2 3.85Å; Y371-T512 HydrophobicContact CD1-CG2 3.74Å; Y371-T512 VanDerWaalsContact CE1-CB 3.49Å; Y371-T512 HydrophobicContact CE1-CG2 3.95Å; Y371-T512 VanDerWaalsContact CE1-O 3.32Å; Y371-T512 WeakPolarHBondContact CE1-O 3.25Å; Y371-T512 HydrophobicContact CG-CG2 4.1Å; T512-K516 WeakPolarHBondContact O-CB 3.18Å; T512-K516 PolarHBondContact O-N 2.88Å; T512-S598 PolarHBondContact N-OG 2.98Å; T512-S598 WeakPolarHBondContact OG1-CB 3.07Å; T512-S598 PolarHBondContact OG1-OG 3.23Å; T512-D600 WeakPolarHBondContact CB-OD1 3.35Å; T512-D600 HydrophobicContact CG2-CB 4.26Å; T512-D600 VanDerWaalsContact CG2-CG 3.45Å; T512-D600 VanDerWaalsContact CG2-OD1 3.26Å; T512-D600 WeakPolarHBondContact CG2-OD1 3.11Å; T512-D600 PolarHBondContact N-OD1 2.78Å; T512-D600 PolarHBondContact N-OD2 2.97Å; T512-D600 PolarHBondContact OG1-OD1 3.43Å; T512-W602 HydrophobicContact CG2-CH2 3.75Å; T512-W602 HydrophobicContact CG2-CZ2 3.68Å; T512-L603 HydrophobicContact CG2-CD2 3.73Å |
| 513 | L | 92.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 14 Ų | 14 | 10% | 0.099 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -49.1 | 176 | 179.3 | 60.4 | 0 | 0 | 0 | 111.2 | N511 K516 I517 V549 P550 S598 | N511-L513 VanDerWaalsContact C-N 3.34Å; N511-L513 PolarHBondContact O-N 3Å; N511-L513 WeakPolarHBondContact OD1-CB 3.47Å; N511-L513 PolarHBondContact OD1-N 2.69Å; N511-L513 VanDerWaalsContact OD1-N 3.15Å; L513-K516 PolarHBondContact O-N 3.09Å; L513-I517 HydrophobicContact CD1-CD1 3.78Å; L513-I517 HydrophobicContact CD1-CG1 4.29Å; L513-I517 HydrophobicContact CG-CD1 3.93Å; L513-I517 VanDerWaalsContact O-CG1 3.26Å; L513-I517 WeakPolarHBondContact O-CG1 3.46Å; L513-I517 PolarHBondContact O-N 3.33Å; L513-V549 HydrophobicContact CD1-CG1 4.05Å; L513-P550 HydrophobicContact CD1-CB 4.48Å; L513-P550 HydrophobicContact CD1-CG 4.18Å; L513-S598 PolarHBondContact N-OG 3.36Å |
| 514 | I | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 179.7 | -60.2 | -54.3 | 0 | 0 | 0 | 110.9 | N511 K516 I517 A518 I530 V537 F540 M541 | N511-I514 PolarHBondContact O-N 3.47Å; N511-I514 PolarHBondContact OD1-N 3.26Å; N511-I514 VanDerWaalsContact OD1-N 3.13Å; I514-K516 VanDerWaalsContact C-N 3.31Å; I514-K516 PolarHBondContact O-N 3.09Å; I514-I517 PolarHBondContact O-N 3.09Å; I514-A518 WeakPolarHBondContact O-CB 3.38Å; I514-A518 PolarHBondContact O-N 2.93Å; I514-I530 HydrophobicContact CG2-CB 3.61Å; I514-I530 HydrophobicContact CG2-CG1 3.77Å; I514-I530 HydrophobicContact CG2-CG2 3.84Å; I514-V537 HydrophobicContact CD1-CG1 3.65Å; I514-V537 HydrophobicContact CG1-CG1 3.82Å; I514-V537 HydrophobicContact CG1-CG2 4.4Å; I514-F540 HydrophobicContact CD1-CD1 4.18Å; I514-F540 HydrophobicContact CD1-CE1 4.43Å; I514-F540 HydrophobicContact CG2-CE1 4.47Å; I514-M541 HydrophobicContact CD1-CG 3.93Å; I514-M541 HydrophobicContact CD1-SD 3.56Å; I514-M541 VanDerWaalsContact CD1-SD 3.56Å |
| 515 | A | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I259 H261 G507 N511 S519 | I259-A515 HydrophobicContact CB-CB 4.37Å; I259-A515 HydrophobicContact CG2-CB 4.06Å; H261-A515 HydrophobicContact CB-CB 3.93Å; G507-A515 WeakPolarHBondContact CA-O 3.14Å; N511-A515 WeakPolarHBondContact O-CB 3.49Å; N511-A515 PolarHBondContact O-N 3.07Å; A515-S519 PolarHBondContact O-N 3.23Å; A515-S519 VanDerWaalsContact O-N 3.08Å |
| 516 | K | 95.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 15.2 Ų | 15.2 | 10% | 0.1 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 176.1 | -177.5 | 163.6 | -175.9 | 68.8 | 0 | 112.3 | E369 Y371 T512 L513 I514 A518 S519 D520 P550 | E369-K516 IonicContact OE1-NZ 2.69Å; E369-K516 PolarHBondContact OE1-NZ 2.82Å; E369-K516 IonicContact OE2-NZ 3.84Å; E369-K516 PolarHBondContact OE2-NZ 3.11Å; Y371-K516 HydrophobicContact CE1-CB 4.19Å; Y371-K516 WeakPolarHBondContact OH-CB 3Å; Y371-K516 WeakPolarHBondContact OH-CD 3.39Å; T512-K516 WeakPolarHBondContact O-CB 3.18Å; T512-K516 PolarHBondContact O-N 2.88Å; L513-K516 PolarHBondContact O-N 3.09Å; I514-K516 VanDerWaalsContact C-N 3.31Å; I514-K516 PolarHBondContact O-N 3.09Å; K516-A518 VanDerWaalsContact C-N 3.29Å; K516-A518 PolarHBondContact O-N 3.34Å; K516-S519 PolarHBondContact O-N 2.99Å; K516-S519 VanDerWaalsContact O-N 3.09Å; K516-S519 PolarHBondContact O-OG 2.87Å; K516-D520 VanDerWaalsContact CE-OD2 3.26Å; K516-D520 WeakPolarHBondContact CE-OD2 3.33Å; K516-D520 WeakPolarHBondContact CG-OD2 3.43Å; K516-D520 IonicContact NZ-OD2 3.94Å; K516-D520 PolarHBondContact NZ-OD2 3.45Å; K516-D520 PolarHBondContact O-N 2.8Å; K516-P550 HydrophobicContact CD-CG 4.03Å; K516-P550 HydrophobicContact CG-CG 4.2Å |
| 517 | I | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | -178.7 | -61.5 | 164.7 | 0 | 0 | 0 | 110.4 | L513 I514 S519 D520 W521 F540 M541 M544 V549 P550 | L513-I517 HydrophobicContact CD1-CD1 3.78Å; L513-I517 HydrophobicContact CD1-CG1 4.29Å; L513-I517 HydrophobicContact CG-CD1 3.93Å; L513-I517 VanDerWaalsContact O-CG1 3.26Å; L513-I517 WeakPolarHBondContact O-CG1 3.46Å; L513-I517 PolarHBondContact O-N 3.33Å; I514-I517 PolarHBondContact O-N 3.09Å; I517-S519 PolarHBondContact O-N 2.61Å; I517-D520 PolarHBondContact O-N 3.22Å; I517-W521 WeakPolarHBondContact O-CB 3.2Å; I517-W521 PolarHBondContact O-N 2.91Å; I517-F540 HydrophobicContact CB-CE1 4.05Å; I517-F540 HydrophobicContact CB-CZ 4.24Å; I517-F540 HydrophobicContact CG2-CE1 3.75Å; I517-F540 HydrophobicContact CG2-CZ 3.64Å; I517-M541 HydrophobicContact CD1-SD 4.13Å; I517-M544 HydrophobicContact CG2-CE 3.68Å; I517-M544 HydrophobicContact CG2-SD 3.94Å; I517-V549 HydrophobicContact CD1-CG1 4.45Å; I517-P550 HydrophobicContact CG1-CG 4.21Å |
| 518 | A | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I514 K516 W521 I522 H528 I530 | I514-A518 WeakPolarHBondContact O-CB 3.38Å; I514-A518 PolarHBondContact O-N 2.93Å; K516-A518 VanDerWaalsContact C-N 3.29Å; K516-A518 PolarHBondContact O-N 3.34Å; A518-W521 WeakPolarHBondContact O-CB 3.34Å; A518-W521 PolarHBondContact O-N 2.82Å; A518-I522 PolarHBondContact O-N 3.36Å; A518-H528 HydrophobicContact CB-CB 4.48Å; A518-I530 HydrophobicContact CB-CG1 4.13Å |
| 519 | S | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.2 | 79.2 | 0 | 0 | 0 | 0 | 112.7 | H261 A515 K516 I517 W521 I522 K523 | H261-S519 PolarHBondContact ND1-OG 2.76Å; A515-S519 PolarHBondContact O-N 3.23Å; A515-S519 VanDerWaalsContact O-N 3.08Å; K516-S519 PolarHBondContact O-N 2.99Å; K516-S519 VanDerWaalsContact O-N 3.09Å; K516-S519 PolarHBondContact O-OG 2.87Å; I517-S519 PolarHBondContact O-N 2.61Å; S519-W521 VanDerWaalsContact C-N 3.26Å; S519-W521 PolarHBondContact O-N 3.2Å; S519-I522 PolarHBondContact O-N 3.05Å; S519-K523 WeakPolarHBondContact O-CG 3.37Å; S519-K523 PolarHBondContact O-N 2.77Å |
| 520 | D | 90.3 | Very high | 92.5 | Very high | 55 Ų | 55 | 21.9 Ų | 21.9 | 29% | 0.294 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -69.2 | -26.1 | 179.3 | -86 | -43.1 | 0 | 0 | 0 | 111.8 | K516 I517 K523 | K516-D520 VanDerWaalsContact CE-OD2 3.26Å; K516-D520 WeakPolarHBondContact CE-OD2 3.33Å; K516-D520 WeakPolarHBondContact CG-OD2 3.43Å; K516-D520 IonicContact NZ-OD2 3.94Å; K516-D520 PolarHBondContact NZ-OD2 3.45Å; K516-D520 PolarHBondContact O-N 2.8Å; I517-D520 PolarHBondContact O-N 3.22Å; D520-K523 IonicContact OD1-NZ 2.77Å; D520-K523 PolarHBondContact OD1-NZ 2.85Å |
| 521 | W | 87.2 | Confident | 92.4 | Very high | 107 Ų | 107 | 24.1 Ų | 24.1 | 41% | 0.405 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -72.6 | -40.5 | 177.4 | -162.4 | -95.1 | 0 | 0 | 0 | 113.1 | K458 I517 A518 S519 M544 | K458-W521 PolarHBondContact NZ-O 3.49Å; I517-W521 WeakPolarHBondContact O-CB 3.2Å; I517-W521 PolarHBondContact O-N 2.91Å; A518-W521 WeakPolarHBondContact O-CB 3.34Å; A518-W521 PolarHBondContact O-N 2.82Å; S519-W521 VanDerWaalsContact C-N 3.26Å; S519-W521 PolarHBondContact O-N 3.2Å; W521-M544 HydrophobicContact CE3-CE 4.06Å; W521-M544 HydrophobicContact CE3-SD 4.36Å; W521-M544 HydrophobicContact CH2-CE 4.5Å; W521-M544 HydrophobicContact CZ3-CE 3.78Å; W521-M544 HydrophobicContact CZ3-SD 3.85Å |
| 522 | I | 88.1 | Confident | 92.3 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -97.4 | -3.6 | -166.6 | -153.7 | 65.8 | 0 | 0 | 0 | 115.1 | K458 A518 S519 H528 | K458-I522 HydrophobicContact CB-CD1 4.36Å; A518-I522 PolarHBondContact O-N 3.36Å; S519-I522 PolarHBondContact O-N 3.05Å; I522-H528 HydrophobicContact CB-CB 3.87Å; I522-H528 HydrophobicContact CD1-CB 4.35Å; I522-H528 HydrophobicContact CG1-CB 4Å; I522-H528 HydrophobicContact CG2-CB 4.03Å |
| 523 | K | 89.6 | Confident | 92.2 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | trans | -58.7 | 148 | 175.3 | -80.3 | 162.7 | -166.4 | -177.3 | 0 | 113.1 | A21 D263 S505 S519 D520 | A21-K523 HydrophobicContact CB-CB 3.41Å; A21-K523 VanDerWaalsContact CB-CB 3.41Å; A21-K523 HydrophobicContact CB-CD 4.15Å; A21-K523 HydrophobicContact CB-CG 4.43Å; D263-K523 WeakPolarHBondContact OD1-CE 3.44Å; D263-K523 IonicContact OD1-NZ 3.83Å; D263-K523 PolarHBondContact OD1-NZ 3.13Å; D263-K523 WeakPolarHBondContact OD2-CE 3.27Å; D263-K523 IonicContact OD2-NZ 2.69Å; D263-K523 PolarHBondContact OD2-NZ 2.78Å; S505-K523 WeakPolarHBondContact OG-CA 3.46Å; S519-K523 WeakPolarHBondContact O-CG 3.37Å; S519-K523 PolarHBondContact O-N 2.77Å; D520-K523 IonicContact OD1-NZ 2.77Å; D520-K523 PolarHBondContact OD1-NZ 2.85Å | ||
| 524 | P | 90.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 29 Ų | 29 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | S | Bend | cis | -85.5 | 161.4 | -4.7 | 33.7 | -35.5 | 0 | 0 | 0 | 113.9 | D265 Y297 G526 | D265-P524 WeakPolarHBondContact OD1-CA 3.24Å; D265-P524 WeakPolarHBondContact OD1-CB 3.49Å; Y297-P524 HydrophobicContact CD1-CB 4.45Å; Y297-P524 HydrophobicContact CD2-CB 4.13Å; Y297-P524 HydrophobicContact CE1-CB 4.03Å; Y297-P524 HydrophobicContact CE1-CG 4.45Å; Y297-P524 HydrophobicContact CE2-CB 3.66Å; Y297-P524 HydrophobicContact CG-CB 4.5Å; P524-G526 PolarHBondContact O-N 3.23Å |
| 525 | C | 88.5 | Confident | 91.7 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 51.4 | 23.1 | 166.8 | -162.8 | 0 | 0 | 0 | 0 | 116.3 | D265 R493 S505 | D265-C525 PolarHBondContact OD1-N 2.72Å; D265-C525 VanDerWaalsContact OD2-CA 3.31Å; D265-C525 WeakPolarHBondContact OD2-CA 3.41Å; D265-C525 PolarHBondContact OD2-N 2.71Å; R493-C525 PolarHBondContact NH2-O 3.05Å; S505-C525 PolarHBondContact OG-N 3.35Å |
| 526 | G | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -108.6 | 168.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S505 A506 P524 | S505-G526 WeakPolarHBondContact CA-O 3.48Å; S505-G526 WeakPolarHBondContact CB-O 3.05Å; S505-G526 PolarHBondContact OG-N 2.78Å; S505-G526 VanDerWaalsContact OG-N 3.1Å; S505-G526 PolarHBondContact OG-O 3.26Å; A506-G526 PolarHBondContact N-O 3.18Å; A506-G526 VanDerWaalsContact N-O 3.12Å; P524-G526 PolarHBondContact O-N 3.23Å | ||
| 527 | Q | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.6 | 164.7 | 71.6 | -172.2 | 59.1 | 0 | 0 | 110.8 | W486 A506 | W486-Q527 HydrophobicContact CD2-CG 4.44Å; W486-Q527 VanDerWaalsContact CD2-NE2 3.3Å; W486-Q527 VanDerWaalsContact CE2-NE2 3.32Å; W486-Q527 HydrophobicContact CE3-CG 4.42Å; W486-Q527 HydrophobicContact CH2-CG 3.58Å; W486-Q527 WeakPolarHBondContact CH2-O 3.47Å; W486-Q527 HydrophobicContact CZ2-CG 3.56Å; W486-Q527 HydrophobicContact CZ3-CG 4.02Å; W486-Q527 PolarHBondContact O-NE2 3.29Å; A506-Q527 HydrophobicContact CB-CB 4.12Å; A506-Q527 VanDerWaalsContact O-CA 3.24Å; A506-Q527 WeakPolarHBondContact O-CA 3.32Å |
| 528 | H | 94.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 139.1 | -179.6 | -170 | 56.5 | 0 | 0 | 0 | 111 | A506 G507 L508 A518 I522 I530 | A506-H528 PolarHBondContact O-N 2.75Å; A506-H528 VanDerWaalsContact O-N 3.14Å; G507-H528 CarbonylContact C-O 3.59Å; G507-H528 WeakPolarHBondContact CA-O 3.01Å; L508-H528 WeakPolarHBondContact CD1-O 3.4Å; L508-H528 PolarHBondContact N-O 3.22Å; A518-H528 HydrophobicContact CB-CB 4.48Å; I522-H528 HydrophobicContact CB-CB 3.87Å; I522-H528 HydrophobicContact CD1-CB 4.35Å; I522-H528 HydrophobicContact CG1-CB 4Å; I522-H528 HydrophobicContact CG2-CB 4.03Å; H528-I530 WeakPolarHBondContact NE2-CD1 3.27Å |
| 529 | E | 95.1 | Very high | 91 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.4 | -175.4 | 179.1 | 166.1 | -176.3 | 0 | 0 | 109.6 | W486 L508 | W486-E529 HydrophobicContact CE3-CB 4.04Å; W486-E529 HydrophobicContact CZ3-CB 4.09Å; L508-E529 HydrophobicContact CB-CB 3.96Å; L508-E529 HydrophobicContact CB-CG 3.89Å; L508-E529 HydrophobicContact CD1-CB 4.3Å; L508-E529 HydrophobicContact CD2-CB 4.41Å; L508-E529 HydrophobicContact CD2-CG 4.32Å; L508-E529 HydrophobicContact CG-CB 4.46Å |
| 530 | I | 94.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | trans | -97.1 | 114.6 | 167.5 | -55.3 | -56.9 | 0 | 0 | 0 | 106.5 | L508 G509 I514 A518 H528 A536 V537 F540 | L508-I530 PolarHBondContact O-N 2.95Å; G509-I530 WeakPolarHBondContact CA-O 3.47Å; I514-I530 HydrophobicContact CG2-CB 3.61Å; I514-I530 HydrophobicContact CG2-CG1 3.77Å; I514-I530 HydrophobicContact CG2-CG2 3.84Å; A518-I530 HydrophobicContact CB-CG1 4.13Å; H528-I530 WeakPolarHBondContact NE2-CD1 3.27Å; I530-A536 HydrophobicContact CG2-CB 4.47Å; I530-V537 HydrophobicContact CG2-CG2 3.99Å; I530-F540 HydrophobicContact CD1-CB 4.43Å; I530-F540 HydrophobicContact CD1-CD1 4.3Å; I530-F540 HydrophobicContact CD1-CD2 3.47Å; I530-F540 VanDerWaalsContact CD1-CD2 3.47Å; I530-F540 HydrophobicContact CD1-CE1 4.4Å; I530-F540 HydrophobicContact CD1-CE2 3.6Å; I530-F540 HydrophobicContact CD1-CG 3.83Å; I530-F540 HydrophobicContact CD1-CZ 4.05Å; I530-F540 HydrophobicContact CG1-CD1 4.17Å; I530-F540 HydrophobicContact CG1-CD2 4.22Å; I530-F540 HydrophobicContact CG1-CE1 4.14Å; I530-F540 HydrophobicContact CG1-CE2 4.21Å; I530-F540 HydrophobicContact CG1-CG 4.18Å; I530-F540 HydrophobicContact CG1-CZ 4.14Å; I530-F540 HydrophobicContact CG2-CB 4.37Å | ||
| 531 | A | 90.2 | Very high | 91.1 | Very high | 50 Ų | 50 | 43 Ų | 43 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | trans | -54.3 | 144.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | T533 A536 | A531-T533 PolarHBondContact O-N 3.28Å; A531-A536 HydrophobicContact CB-CB 4Å; A531-A536 WeakPolarHBondContact O-CB 3.35Å | ||
| 532 | N | 88.9 | Confident | 91.2 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -77 | 56.6 | -176.2 | -67.8 | -8.2 | 0 | 0 | 0 | 112.5 | F255 R257 G509 P510 | F255-N532 WeakPolarHBondContact O-CB 3.31Å; R257-N532 PolarHBondContact O-ND2 3.29Å; G509-N532 VanDerWaalsContact C-OD1 3.23Å; P510-N532 WeakPolarHBondContact CA-OD1 3.42Å; P510-N532 HydrophobicContact CB-CB 4.25Å; P510-N532 VanDerWaalsContact CD-OD1 3.25Å; P510-N532 WeakPolarHBondContact CD-OD1 3.44Å |
| 533 | T | 89.2 | Confident | 91.3 | Very high | 58 Ų | 58 | 47 Ų | 47 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -130.6 | 160.4 | 173.5 | 92.1 | 0 | 0 | 0 | 0 | 110.8 | F255 A531 E535 A536 V537 | F255-T533 VanDerWaalsContact CE1-C 3.4Å; F255-T533 VanDerWaalsContact CE1-O 3.31Å; F255-T533 WeakPolarHBondContact CE1-O 3.34Å; A531-T533 PolarHBondContact O-N 3.28Å; T533-E535 VanDerWaalsContact C-N 3.31Å; T533-E535 WeakPolarHBondContact CB-OE2 3.39Å; T533-E535 PolarHBondContact O-N 2.8Å; T533-E535 PolarHBondContact OG1-N 3.39Å; T533-E535 PolarHBondContact OG1-OE2 3.45Å; T533-A536 PolarHBondContact OG1-N 2.79Å; T533-V537 WeakPolarHBondContact O-CG2 3.17Å; T533-V537 PolarHBondContact O-N 3.29Å |
| 534 | S | 87.2 | Confident | 91.5 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.6 | -161.6 | 0 | 0 | 0 | 0 | 110.7 | R253 A536 V537 D538 | R253-S534 PolarHBondContact NH1-OG 3.29Å; S534-A536 PolarHBondContact O-N 3.03Å; S534-V537 PolarHBondContact O-N 3.36Å; S534-D538 WeakPolarHBondContact O-CB 3.44Å; S534-D538 PolarHBondContact O-N 2.88Å; S534-D538 PolarHBondContact OG-OD2 3.42Å |
| 535 | E | 90 | Very high | 91.7 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | -173.9 | -51.6 | 66.2 | -137.6 | 0 | 0 | 111 | T533 K539 | T533-E535 VanDerWaalsContact C-N 3.31Å; T533-E535 WeakPolarHBondContact CB-OE2 3.39Å; T533-E535 PolarHBondContact O-N 2.8Å; T533-E535 PolarHBondContact OG1-N 3.39Å; T533-E535 PolarHBondContact OG1-OE2 3.45Å; E535-K539 WeakPolarHBondContact O-CB 3.45Å; E535-K539 PolarHBondContact O-N 3.02Å |
| 536 | A | 91.3 | Very high | 92 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I530 A531 T533 S534 F540 | I530-A536 HydrophobicContact CG2-CB 4.47Å; A531-A536 HydrophobicContact CB-CB 4Å; A531-A536 WeakPolarHBondContact O-CB 3.35Å; T533-A536 PolarHBondContact OG1-N 2.79Å; S534-A536 PolarHBondContact O-N 3.03Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.15Å; A536-F540 PolarHBondContact O-N 2.83Å |
| 537 | V | 92 | Very high | 92 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.5 | -40.3 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | R253 F255 P510 I514 I530 T533 S534 F540 M541 | R253-V537 VanDerWaalsContact NH2-CG1 3.32Å; F255-V537 HydrophobicContact CE1-CG2 4.07Å; P510-V537 HydrophobicContact CG-CG2 3.69Å; I514-V537 HydrophobicContact CD1-CG1 3.65Å; I514-V537 HydrophobicContact CG1-CG1 3.82Å; I514-V537 HydrophobicContact CG1-CG2 4.4Å; I530-V537 HydrophobicContact CG2-CG2 3.99Å; T533-V537 WeakPolarHBondContact O-CG2 3.17Å; T533-V537 PolarHBondContact O-N 3.29Å; S534-V537 PolarHBondContact O-N 3.36Å; V537-F540 PolarHBondContact O-N 2.91Å; V537-M541 HydrophobicContact CG1-CG 4.17Å; V537-M541 WeakPolarHBondContact O-CB 3.47Å; V537-M541 WeakPolarHBondContact O-CG 3.27Å; V537-M541 PolarHBondContact O-N 2.52Å |
| 538 | D | 89.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 179.7 | -71.2 | -34.4 | 0 | 0 | 0 | 111 | R253 S534 F540 M541 Q542 | R253-D538 IonicContact CZ-OD1 2.69Å; R253-D538 IonicContact CZ-OD2 3.66Å; R253-D538 IonicContact NH1-OD1 3.81Å; R253-D538 PolarHBondContact NH1-OD1 3.34Å; R253-D538 IonicContact NH1-OD2 3.44Å; R253-D538 PolarHBondContact NH1-OD2 2.99Å; R253-D538 IonicContact NH2-OD1 3.6Å; R253-D538 PolarHBondContact NH2-OD1 2.89Å; R253-D538 IonicContact NH2-OD2 3.72Å; S534-D538 WeakPolarHBondContact O-CB 3.44Å; S534-D538 PolarHBondContact O-N 2.88Å; S534-D538 PolarHBondContact OG-OD2 3.42Å; D538-F540 PolarHBondContact O-N 2.81Å; D538-M541 PolarHBondContact O-N 3.34Å; D538-Q542 WeakPolarHBondContact O-CB 3.27Å; D538-Q542 WeakPolarHBondContact O-CG 3.38Å; D538-Q542 PolarHBondContact O-N 3.25Å |
| 539 | K | 92.5 | Very high | 91.6 | Very high | 157 Ų | 157 | 50.3 Ų | 50.3 | 68% | 0.683 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 173.2 | -176.9 | 177 | -180 | 178.3 | 0 | 112.4 | E535 T543 | E535-K539 WeakPolarHBondContact O-CB 3.45Å; E535-K539 PolarHBondContact O-N 3.02Å; K539-T543 PolarHBondContact O-OG1 2.65Å; K539-T543 VanDerWaalsContact O-OG1 3.09Å |
| 540 | F | 93.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177.2 | -178.9 | -109.5 | 0 | 0 | 0 | 112.3 | I514 I517 I530 A536 V537 D538 T543 M544 | I514-F540 HydrophobicContact CD1-CD1 4.18Å; I514-F540 HydrophobicContact CD1-CE1 4.43Å; I514-F540 HydrophobicContact CG2-CE1 4.47Å; I517-F540 HydrophobicContact CB-CE1 4.05Å; I517-F540 HydrophobicContact CB-CZ 4.24Å; I517-F540 HydrophobicContact CG2-CE1 3.75Å; I517-F540 HydrophobicContact CG2-CZ 3.64Å; I530-F540 HydrophobicContact CD1-CB 4.43Å; I530-F540 HydrophobicContact CD1-CD1 4.3Å; I530-F540 HydrophobicContact CD1-CD2 3.47Å; I530-F540 VanDerWaalsContact CD1-CD2 3.47Å; I530-F540 HydrophobicContact CD1-CE1 4.4Å; I530-F540 HydrophobicContact CD1-CE2 3.6Å; I530-F540 HydrophobicContact CD1-CG 3.83Å; I530-F540 HydrophobicContact CD1-CZ 4.05Å; I530-F540 HydrophobicContact CG1-CD1 4.17Å; I530-F540 HydrophobicContact CG1-CD2 4.22Å; I530-F540 HydrophobicContact CG1-CE1 4.14Å; I530-F540 HydrophobicContact CG1-CE2 4.21Å; I530-F540 HydrophobicContact CG1-CG 4.18Å; I530-F540 HydrophobicContact CG1-CZ 4.14Å; I530-F540 HydrophobicContact CG2-CB 4.37Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.15Å; A536-F540 PolarHBondContact O-N 2.83Å; V537-F540 PolarHBondContact O-N 2.91Å; D538-F540 PolarHBondContact O-N 2.81Å; F540-T543 PolarHBondContact O-OG1 2.93Å; F540-M544 HydrophobicContact CD2-CE 4.4Å; F540-M544 HydrophobicContact CE1-CE 4.07Å; F540-M544 HydrophobicContact CE2-CE 3.93Å; F540-M544 HydrophobicContact CZ-CE 3.77Å |
| 541 | M | 93 | Very high | 90.9 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.5 | -41.9 | -179.9 | -71.8 | -54.6 | -42 | 0 | 0 | 113 | I514 I517 V537 D538 T543 M544 V549 C568 I593 | I514-M541 HydrophobicContact CD1-CG 3.93Å; I514-M541 HydrophobicContact CD1-SD 3.56Å; I514-M541 VanDerWaalsContact CD1-SD 3.56Å; I517-M541 HydrophobicContact CD1-SD 4.13Å; V537-M541 HydrophobicContact CG1-CG 4.17Å; V537-M541 WeakPolarHBondContact O-CB 3.47Å; V537-M541 WeakPolarHBondContact O-CG 3.27Å; V537-M541 PolarHBondContact O-N 2.52Å; D538-M541 PolarHBondContact O-N 3.34Å; M541-T543 PolarHBondContact O-N 3.1Å; M541-M544 HydrophobicContact CE-CB 4.15Å; M541-M544 HydrophobicContact CE-CG 4.32Å; M541-M544 WeakPolarHBondContact O-CB 3.37Å; M541-M544 PolarHBondContact O-N 2.9Å; M541-V549 HydrophobicContact CE-CG2 4.31Å; M541-C568 HydrophobicContact CE-CB 4.12Å; M541-C568 WeakPolarHBondContact O-CB 3.18Å; M541-I593 VanDerWaalsContact CE-O 3.32Å; M541-I593 WeakPolarHBondContact CE-O 3.4Å |
| 542 | Q | 90.8 | Very high | 90.8 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.4 | -41.2 | -179.9 | -76.7 | 163.8 | 12.9 | 0 | 0 | 112.3 | D538 M544 A569 | D538-Q542 WeakPolarHBondContact O-CB 3.27Å; D538-Q542 WeakPolarHBondContact O-CG 3.38Å; D538-Q542 PolarHBondContact O-N 3.25Å; Q542-M544 VanDerWaalsContact C-N 3.32Å; Q542-M544 PolarHBondContact O-N 3.38Å; Q542-A569 HydrophobicContact CB-CB 4.36Å; Q542-A569 WeakPolarHBondContact O-CB 3.48Å |
| 543 | T | 89.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 63% | 0.632 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.9 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | K539 F540 M541 P545 | K539-T543 PolarHBondContact O-OG1 2.65Å; K539-T543 VanDerWaalsContact O-OG1 3.09Å; F540-T543 PolarHBondContact O-OG1 2.93Å; M541-T543 PolarHBondContact O-N 3.1Å; T543-P545 WeakPolarHBondContact O-CD 3.3Å |
| 544 | M | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -78 | 122.9 | -173.5 | -168 | 57.9 | 52.2 | 0 | 0 | 112.1 | I517 W521 F540 M541 Q542 K548 V549 T567 C568 | I517-M544 HydrophobicContact CG2-CE 3.68Å; I517-M544 HydrophobicContact CG2-SD 3.94Å; W521-M544 HydrophobicContact CE3-CE 4.06Å; W521-M544 HydrophobicContact CE3-SD 4.36Å; W521-M544 HydrophobicContact CH2-CE 4.5Å; W521-M544 HydrophobicContact CZ3-CE 3.78Å; W521-M544 HydrophobicContact CZ3-SD 3.85Å; F540-M544 HydrophobicContact CD2-CE 4.4Å; F540-M544 HydrophobicContact CE1-CE 4.07Å; F540-M544 HydrophobicContact CE2-CE 3.93Å; F540-M544 HydrophobicContact CZ-CE 3.77Å; M541-M544 HydrophobicContact CE-CB 4.15Å; M541-M544 HydrophobicContact CE-CG 4.32Å; M541-M544 WeakPolarHBondContact O-CB 3.37Å; M541-M544 PolarHBondContact O-N 2.9Å; Q542-M544 VanDerWaalsContact C-N 3.32Å; Q542-M544 PolarHBondContact O-N 3.38Å; M544-K548 HydrophobicContact CG-CB 4.33Å; M544-K548 HydrophobicContact SD-CB 3.57Å; M544-K548 VanDerWaalsContact SD-CB 3.57Å; M544-K548 HydrophobicContact SD-CG 4.35Å; M544-V549 HydrophobicContact CG-CG2 4.07Å; M544-T567 CarbonylContact O-C 3.58Å; M544-T567 WeakPolarHBondContact O-CA 3.03Å; M544-C568 PolarHBondContact O-N 3.48Å; M544-C568 PolarHBondContact O-SG 3.01Å | ||
| 545 | P | 94.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 135.9 | 170.8 | -21.5 | 33.8 | 0 | 0 | 0 | 110.9 | T543 R547 K548 K566 | T543-P545 WeakPolarHBondContact O-CD 3.3Å; P545-R547 PolarHBondContact O-N 2.83Å; P545-K548 HydrophobicContact CB-CG 4.45Å; P545-K548 HydrophobicContact CG-CG 4.45Å; P545-K548 WeakPolarHBondContact O-CB 3.43Å; P545-K548 PolarHBondContact O-N 3.35Å; P545-K566 CarbonylContact C-O 3.57Å; P545-K566 WeakPolarHBondContact CA-O 3.31Å |
| 546 | V | 94.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -54.7 | -34.6 | -175.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | K548 V549 I552 L560 I565 K566 T567 L571 | V546-K548 VanDerWaalsContact C-N 3.29Å; V546-K548 PolarHBondContact O-N 2.83Å; V546-V549 WeakPolarHBondContact O-CB 3.33Å; V546-V549 PolarHBondContact O-N 3.1Å; V546-V549 VanDerWaalsContact O-N 3.14Å; V546-I552 HydrophobicContact CB-CD1 3.93Å; V546-I552 HydrophobicContact CB-CG2 4.39Å; V546-I552 HydrophobicContact CG2-CG2 4.39Å; V546-I552 WeakPolarHBondContact O-CB 3.44Å; V546-I552 WeakPolarHBondContact O-CD1 3.4Å; V546-I552 WeakPolarHBondContact O-CG2 3.34Å; V546-L560 HydrophobicContact CB-CD1 4.25Å; V546-L560 HydrophobicContact CG1-CD1 4.37Å; V546-L560 HydrophobicContact CG2-CD1 4.1Å; V546-I565 HydrophobicContact CG1-CG2 4.22Å; V546-K566 PolarHBondContact N-O 3.44Å; V546-T567 VanDerWaalsContact CG1-C 3.47Å; V546-T567 WeakPolarHBondContact CG1-O 3.42Å; V546-L571 HydrophobicContact CG1-CD1 4.06Å; V546-L571 HydrophobicContact CG1-CD2 4.39Å; V546-L571 HydrophobicContact CG1-CG 4.1Å |
| 547 | R | 92.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 24% | 0.242 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -69.3 | -20.9 | -179.9 | -175.5 | 56.7 | 179.9 | 101.7 | 26.2 | 114.8 | S17 P545 V549 I552 E557 | S17-R547 VanDerWaalsContact CB-NH2 3.33Å; S17-R547 PolarHBondContact OG-NH2 3.08Å; P545-R547 PolarHBondContact O-N 2.83Å; R547-V549 VanDerWaalsContact C-N 3.29Å; R547-I552 VanDerWaalsContact CD-O 3.32Å; R547-I552 WeakPolarHBondContact CD-O 3.39Å; R547-I552 PolarHBondContact NH1-O 2.99Å; R547-E557 HydrophobicContact CB-CG 4.15Å; R547-E557 VanDerWaalsContact CB-OE1 3.27Å; R547-E557 WeakPolarHBondContact CB-OE1 3.35Å; R547-E557 VanDerWaalsContact CD-CD 3.44Å; R547-E557 WeakPolarHBondContact CD-OE2 3.14Å; R547-E557 VanDerWaalsContact CG-CD 3.4Å; R547-E557 HydrophobicContact CG-CG 4.36Å; R547-E557 WeakPolarHBondContact CG-OE1 3.44Å; R547-E557 WeakPolarHBondContact CG-OE2 3.36Å; R547-E557 IonicContact NE-OE2 3.38Å; R547-E557 PolarHBondContact NE-OE2 3.49Å |
| 548 | K | 89.9 | Confident | 90 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -78.2 | -14.8 | 173.9 | -75.9 | -75.5 | -171.3 | 170.1 | 0 | 112.3 | S19 M544 P545 V546 | S19-K548 PolarHBondContact O-NZ 3.14Å; M544-K548 HydrophobicContact CG-CB 4.33Å; M544-K548 HydrophobicContact SD-CB 3.57Å; M544-K548 VanDerWaalsContact SD-CB 3.57Å; M544-K548 HydrophobicContact SD-CG 4.35Å; P545-K548 HydrophobicContact CB-CG 4.45Å; P545-K548 HydrophobicContact CG-CG 4.45Å; P545-K548 WeakPolarHBondContact O-CB 3.43Å; P545-K548 PolarHBondContact O-N 3.35Å; V546-K548 VanDerWaalsContact C-N 3.29Å; V546-K548 PolarHBondContact O-N 2.83Å |
| 549 | V | 92.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.6 | 129.1 | 179.1 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | L513 I517 M541 M544 V546 R547 G551 I552 C568 I593 | L513-V549 HydrophobicContact CD1-CG1 4.05Å; I517-V549 HydrophobicContact CD1-CG1 4.45Å; M541-V549 HydrophobicContact CE-CG2 4.31Å; M544-V549 HydrophobicContact CG-CG2 4.07Å; V546-V549 WeakPolarHBondContact O-CB 3.33Å; V546-V549 PolarHBondContact O-N 3.1Å; V546-V549 VanDerWaalsContact O-N 3.14Å; R547-V549 VanDerWaalsContact C-N 3.29Å; V549-G551 PolarHBondContact O-N 3.32Å; V549-I552 HydrophobicContact CB-CD1 4.41Å; V549-I552 PolarHBondContact O-N 3.11Å; V549-C568 VanDerWaalsContact CG2-SG 3.53Å; V549-I593 HydrophobicContact CB-CG2 4.25Å; V549-I593 HydrophobicContact CG1-CB 4.37Å; V549-I593 HydrophobicContact CG1-CD1 3.8Å; V549-I593 HydrophobicContact CG1-CG1 3.83Å; V549-I593 HydrophobicContact CG1-CG2 3.78Å; V549-I593 HydrophobicContact CG2-CG2 3.96Å |
| 550 | P | 87.8 | Confident | 90.2 | Very high | 49 Ų | 49 | 45 Ų | 45 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 125.1 | 172.7 | -30.1 | 35.9 | 0 | 0 | 0 | 113.3 | L513 K516 I517 | L513-P550 HydrophobicContact CD1-CB 4.48Å; L513-P550 HydrophobicContact CD1-CG 4.18Å; K516-P550 HydrophobicContact CD-CG 4.03Å; K516-P550 HydrophobicContact CG-CG 4.2Å; I517-P550 HydrophobicContact CG1-CG 4.21Å |
| 551 | G | 86.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 46 Ų | 46 | 66% | 0.66 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -23.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V549 G553 Y589 | V549-G551 PolarHBondContact O-N 3.32Å; G551-G553 PolarHBondContact O-N 2.93Å; G551-Y589 WeakPolarHBondContact CA-OH 3.36Å; G551-Y589 PolarHBondContact O-OH 3.41Å |
| 552 | I | 88.9 | Confident | 90 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -79.6 | 93.4 | 173.7 | -63.1 | -172.8 | 0 | 0 | 0 | 108.9 | V546 R547 V549 T556 E557 L560 Y589 I593 | V546-I552 HydrophobicContact CB-CD1 3.93Å; V546-I552 HydrophobicContact CB-CG2 4.39Å; V546-I552 HydrophobicContact CG2-CG2 4.39Å; V546-I552 WeakPolarHBondContact O-CB 3.44Å; V546-I552 WeakPolarHBondContact O-CD1 3.4Å; V546-I552 WeakPolarHBondContact O-CG2 3.34Å; R547-I552 VanDerWaalsContact CD-O 3.32Å; R547-I552 WeakPolarHBondContact CD-O 3.39Å; R547-I552 PolarHBondContact NH1-O 2.99Å; V549-I552 HydrophobicContact CB-CD1 4.41Å; V549-I552 PolarHBondContact O-N 3.11Å; I552-T556 HydrophobicContact CG2-CG2 4.18Å; I552-E557 HydrophobicContact CG2-CB 4.39Å; I552-L560 HydrophobicContact CD1-CD1 4.33Å; I552-Y589 HydrophobicContact CG1-CE1 4.22Å; I552-Y589 PolarHBondContact N-OH 3.04Å; I552-I593 HydrophobicContact CD1-CD1 3.76Å; I552-I593 HydrophobicContact CD1-CG2 4.32Å; I552-I593 HydrophobicContact CG1-CD1 3.84Å | ||
| 553 | G | 84.6 | Confident | 90 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | trans | -78.8 | 170.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G551 V555 T556 E557 | G551-G553 PolarHBondContact O-N 2.93Å; G553-V555 PolarHBondContact O-N 3.35Å; G553-V555 VanDerWaalsContact O-N 3.1Å; G553-T556 PolarHBondContact O-N 3.35Å; G553-E557 PolarHBondContact O-N 3.32Å | ||
| 554 | H | 81.1 | Confident | 90.1 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -28.7 | -175.4 | 73.3 | -95 | 0 | 0 | 0 | 114.3 | E557 R558 | H554-E557 WeakPolarHBondContact CA-OE2 3.47Å; H554-R558 WeakPolarHBondContact O-CB 3.32Å; H554-R558 PolarHBondContact O-N 2.98Å |
| 555 | V | 84.3 | Confident | 90.2 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | G553 R559 | G553-V555 PolarHBondContact O-N 3.35Å; G553-V555 VanDerWaalsContact O-N 3.1Å; V555-R559 WeakPolarHBondContact O-CG 3.36Å; V555-R559 PolarHBondContact O-N 3.18Å; V555-R559 VanDerWaalsContact O-N 3.17Å |
| 556 | T | 90.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 176.8 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | I552 G553 R559 L560 Y590 | I552-T556 HydrophobicContact CG2-CG2 4.18Å; G553-T556 PolarHBondContact O-N 3.35Å; T556-R559 PolarHBondContact O-N 3.02Å; T556-L560 HydrophobicContact CG2-CD1 4.13Å; T556-L560 VanDerWaalsContact O-CG 3.32Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.04Å; T556-Y590 HydrophobicContact CG2-CE1 3.97Å |
| 557 | E | 93.5 | Very high | 90.3 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -51 | -55.8 | 170 | 172.2 | -177.1 | -146.2 | 0 | 0 | 111.3 | R547 I552 G553 H554 R559 L560 D561 | R547-E557 HydrophobicContact CB-CG 4.15Å; R547-E557 VanDerWaalsContact CB-OE1 3.27Å; R547-E557 WeakPolarHBondContact CB-OE1 3.35Å; R547-E557 VanDerWaalsContact CD-CD 3.44Å; R547-E557 WeakPolarHBondContact CD-OE2 3.14Å; R547-E557 VanDerWaalsContact CG-CD 3.4Å; R547-E557 HydrophobicContact CG-CG 4.36Å; R547-E557 WeakPolarHBondContact CG-OE1 3.44Å; R547-E557 WeakPolarHBondContact CG-OE2 3.36Å; R547-E557 IonicContact NE-OE2 3.38Å; R547-E557 PolarHBondContact NE-OE2 3.49Å; I552-E557 HydrophobicContact CG2-CB 4.39Å; G553-E557 PolarHBondContact O-N 3.32Å; H554-E557 WeakPolarHBondContact CA-OE2 3.47Å; E557-R559 VanDerWaalsContact C-N 3.28Å; E557-R559 PolarHBondContact O-N 3.17Å; E557-L560 PolarHBondContact O-N 3.41Å; E557-L560 VanDerWaalsContact O-N 3.11Å; E557-D561 WeakPolarHBondContact O-CB 3.44Å; E557-D561 PolarHBondContact O-N 3.42Å |
| 558 | R | 87.2 | Confident | 90.4 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -31.3 | -178.3 | -164.7 | 176.9 | -168.8 | -179.3 | 2.9 | 113.4 | D9 E52 H554 A562 | D9-R558 IonicContact OD1-NH2 3.32Å; E52-R558 VanDerWaalsContact CD-NH1 3.28Å; E52-R558 IonicContact OE1-CZ 2.91Å; E52-R558 IonicContact OE1-NH1 3.31Å; E52-R558 PolarHBondContact OE1-NH1 3.37Å; E52-R558 IonicContact OE1-NH2 3.77Å; E52-R558 PolarHBondContact OE1-NH2 2.94Å; E52-R558 IonicContact OE2-NH1 3.72Å; H554-R558 WeakPolarHBondContact O-CB 3.32Å; H554-R558 PolarHBondContact O-N 2.98Å; R558-A562 VanDerWaalsContact O-CB 3.29Å; R558-A562 WeakPolarHBondContact O-CB 3.42Å; R558-A562 PolarHBondContact O-N 3.5Å; R558-A562 VanDerWaalsContact O-N 3.07Å |
| 559 | R | 90.5 | Very high | 90.5 | Very high | 104 Ų | 104 | 42.2 Ų | 42.2 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.6 | -44.4 | 173 | -75.8 | 172.8 | 173 | 177.7 | -4.1 | 111.8 | V555 T556 E557 A562 F563 | V555-R559 WeakPolarHBondContact O-CG 3.36Å; V555-R559 PolarHBondContact O-N 3.18Å; V555-R559 VanDerWaalsContact O-N 3.17Å; T556-R559 PolarHBondContact O-N 3.02Å; E557-R559 VanDerWaalsContact C-N 3.28Å; E557-R559 PolarHBondContact O-N 3.17Å; R559-A562 PolarHBondContact O-N 2.86Å; R559-F563 WeakPolarHBondContact O-CD2 3.35Å; R559-F563 WeakPolarHBondContact O-CE2 3.26Å; R559-F563 VanDerWaalsContact O-CG 3.24Å; R559-F563 WeakPolarHBondContact O-CG 3.37Å; R559-F563 PolarHBondContact O-N 3.15Å |
| 560 | L | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.9 | -67.6 | 174.4 | 0 | 0 | 0 | 111.4 | V546 I552 T556 E557 A562 F563 G564 I565 L571 L578 Y590 | V546-L560 HydrophobicContact CB-CD1 4.25Å; V546-L560 HydrophobicContact CG1-CD1 4.37Å; V546-L560 HydrophobicContact CG2-CD1 4.1Å; I552-L560 HydrophobicContact CD1-CD1 4.33Å; T556-L560 HydrophobicContact CG2-CD1 4.13Å; T556-L560 VanDerWaalsContact O-CG 3.32Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.04Å; E557-L560 PolarHBondContact O-N 3.41Å; E557-L560 VanDerWaalsContact O-N 3.11Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 3.03Å; L560-F563 CarbonylContact O-C 3.47Å; L560-F563 VanDerWaalsContact O-CA 3.32Å; L560-F563 WeakPolarHBondContact O-CA 3.49Å; L560-F563 WeakPolarHBondContact O-CB 3.33Å; L560-F563 PolarHBondContact O-N 3.43Å; L560-G564 PolarHBondContact O-N 3.3Å; L560-G564 VanDerWaalsContact O-N 3.15Å; L560-I565 CarbonylContact C-O 3.49Å; L560-I565 VanDerWaalsContact C-O 3.27Å; L560-I565 HydrophobicContact CB-CB 3.99Å; L560-I565 HydrophobicContact CB-CG2 4.06Å; L560-I565 HydrophobicContact CD2-CB 4.46Å; L560-I565 HydrophobicContact CD2-CD1 4.04Å; L560-I565 HydrophobicContact CD2-CG2 4.21Å; L560-I565 WeakPolarHBondContact O-CB 3.33Å; L560-I565 PolarHBondContact O-N 3.32Å; L560-L571 HydrophobicContact CD1-CD2 4.15Å; L560-L571 HydrophobicContact CD2-CD2 4.01Å; L560-L578 HydrophobicContact CD2-CD2 3.83Å; L560-Y590 HydrophobicContact CD1-CE1 4.18Å; L560-Y590 HydrophobicContact CD2-CE1 4.18Å; L560-Y590 HydrophobicContact CD2-CE2 4.21Å |
| 561 | D | 92.3 | Very high | 90.9 | Very high | 46 Ų | 46 | 41 Ų | 41 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 174.9 | -170.6 | 32.1 | 0 | 0 | 0 | 111.3 | R15 E557 F563 G564 I565 K566 | R15-D561 IonicContact CZ-OD2 2.9Å; R15-D561 IonicContact NH1-OD2 3.72Å; R15-D561 PolarHBondContact NH1-OD2 3.36Å; R15-D561 IonicContact NH2-OD2 2.86Å; E557-D561 WeakPolarHBondContact O-CB 3.44Å; E557-D561 PolarHBondContact O-N 3.42Å; D561-F563 PolarHBondContact O-N 3.14Å; D561-G564 WeakPolarHBondContact O-CA 3.19Å; D561-G564 PolarHBondContact O-N 3.24Å; D561-I565 PolarHBondContact N-O 2.93Å; D561-K566 WeakPolarHBondContact OD1-CE 3.43Å; D561-K566 IonicContact OD1-NZ 2.62Å |
| 562 | A | 90.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R558 R559 L560 | R558-A562 VanDerWaalsContact O-CB 3.29Å; R558-A562 WeakPolarHBondContact O-CB 3.42Å; R558-A562 PolarHBondContact O-N 3.5Å; R558-A562 VanDerWaalsContact O-N 3.07Å; R559-A562 PolarHBondContact O-N 2.86Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 3.03Å |
| 563 | F | 90.3 | Very high | 90.8 | Very high | 47 Ų | 47 | 45 Ų | 45 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.3 | 167.9 | -53 | -30.4 | 0 | 0 | 0 | 112.2 | R559 L560 D561 I565 L577 L578 V581 | R559-F563 WeakPolarHBondContact O-CD2 3.35Å; R559-F563 WeakPolarHBondContact O-CE2 3.26Å; R559-F563 VanDerWaalsContact O-CG 3.24Å; R559-F563 WeakPolarHBondContact O-CG 3.37Å; R559-F563 PolarHBondContact O-N 3.15Å; L560-F563 CarbonylContact O-C 3.47Å; L560-F563 VanDerWaalsContact O-CA 3.32Å; L560-F563 WeakPolarHBondContact O-CA 3.49Å; L560-F563 WeakPolarHBondContact O-CB 3.33Å; L560-F563 PolarHBondContact O-N 3.43Å; D561-F563 PolarHBondContact O-N 3.14Å; F563-I565 VanDerWaalsContact C-N 3.35Å; F563-I565 HydrophobicContact CB-CD1 4.08Å; F563-I565 HydrophobicContact CB-CG1 4.34Å; F563-L577 HydrophobicContact CB-CD2 3.85Å; F563-L577 HydrophobicContact CD1-CD2 4.49Å; F563-L577 HydrophobicContact CD2-CD2 4.34Å; F563-L577 HydrophobicContact CG-CD2 3.99Å; F563-L578 HydrophobicContact CD2-CD2 4.3Å; F563-V581 HydrophobicContact CD2-CG2 3.86Å; F563-V581 HydrophobicContact CE1-CB 4.45Å; F563-V581 HydrophobicContact CE1-CG2 4.23Å; F563-V581 HydrophobicContact CE2-CB 4.29Å; F563-V581 HydrophobicContact CE2-CG2 3.44Å; F563-V581 VanDerWaalsContact CE2-CG2 3.44Å; F563-V581 HydrophobicContact CG-CG2 4.43Å; F563-V581 HydrophobicContact CZ-CB 4.01Å; F563-V581 HydrophobicContact CZ-CG2 3.65Å |
| 564 | G | 92.8 | Very high | 91 | Very high | 36 Ų | 36 | 47 Ų | 47 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 21.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L560 D561 K574 | L560-G564 PolarHBondContact O-N 3.3Å; L560-G564 VanDerWaalsContact O-N 3.15Å; D561-G564 WeakPolarHBondContact O-CA 3.19Å; D561-G564 PolarHBondContact O-N 3.24Å; G564-K574 PolarHBondContact O-NZ 2.97Å |
| 565 | I | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -104.9 | 113.5 | -177.2 | -62.6 | 169.1 | 0 | 0 | 0 | 109.1 | V546 L560 D561 F563 D570 L571 K574 L578 | V546-I565 HydrophobicContact CG1-CG2 4.22Å; L560-I565 CarbonylContact C-O 3.49Å; L560-I565 VanDerWaalsContact C-O 3.27Å; L560-I565 HydrophobicContact CB-CB 3.99Å; L560-I565 HydrophobicContact CB-CG2 4.06Å; L560-I565 HydrophobicContact CD2-CB 4.46Å; L560-I565 HydrophobicContact CD2-CD1 4.04Å; L560-I565 HydrophobicContact CD2-CG2 4.21Å; L560-I565 WeakPolarHBondContact O-CB 3.33Å; L560-I565 PolarHBondContact O-N 3.32Å; D561-I565 PolarHBondContact N-O 2.93Å; F563-I565 VanDerWaalsContact C-N 3.35Å; F563-I565 HydrophobicContact CB-CD1 4.08Å; F563-I565 HydrophobicContact CB-CG1 4.34Å; I565-D570 HydrophobicContact CB-CB 3.97Å; I565-D570 HydrophobicContact CG1-CB 4.13Å; I565-D570 HydrophobicContact CG2-CB 3.61Å; I565-L571 HydrophobicContact CG2-CD2 3.58Å; I565-L571 HydrophobicContact CG2-CG 4.04Å; I565-K574 HydrophobicContact CD1-CB 4.11Å; I565-K574 HydrophobicContact CG1-CB 4.12Å; I565-K574 HydrophobicContact CG1-CD 3.72Å; I565-L578 HydrophobicContact CD1-CD1 4Å; I565-L578 HydrophobicContact CD1-CD2 3.55Å; I565-L578 HydrophobicContact CD1-CG 3.73Å | ||
| 566 | K | 94 | Very high | 90.9 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | trans | -119.8 | -28.2 | -177.5 | -66.5 | -178.6 | 174.1 | -179 | 0 | 112.9 | P545 V546 D561 D570 | P545-K566 CarbonylContact C-O 3.57Å; P545-K566 WeakPolarHBondContact CA-O 3.31Å; V546-K566 PolarHBondContact N-O 3.44Å; D561-K566 WeakPolarHBondContact OD1-CE 3.43Å; D561-K566 IonicContact OD1-NZ 2.62Å; K566-D570 PolarHBondContact N-OD2 2.84Å | ||
| 567 | T | 96.4 | Very high | 90.6 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -112.1 | 167.4 | -179.5 | 64.6 | 0 | 0 | 0 | 0 | 112 | M544 V546 A569 D570 | M544-T567 CarbonylContact O-C 3.58Å; M544-T567 WeakPolarHBondContact O-CA 3.03Å; V546-T567 VanDerWaalsContact CG1-C 3.47Å; V546-T567 WeakPolarHBondContact CG1-O 3.42Å; T567-A569 VanDerWaalsContact C-N 3.29Å; T567-D570 PolarHBondContact N-OD2 3.44Å; T567-D570 WeakPolarHBondContact O-CB 3.32Å; T567-D570 PolarHBondContact O-N 2.86Å; T567-D570 VanDerWaalsContact OG1-CG 3.32Å; T567-D570 PolarHBondContact OG1-N 3.17Å; T567-D570 VanDerWaalsContact OG1-N 3.09Å; T567-D570 PolarHBondContact OG1-OD2 3.12Å |
| 568 | C | 94.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.2 | -18.3 | 172.5 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | M541 M544 V549 L571 | M541-C568 HydrophobicContact CE-CB 4.12Å; M541-C568 WeakPolarHBondContact O-CB 3.18Å; M544-C568 PolarHBondContact O-N 3.48Å; M544-C568 PolarHBondContact O-SG 3.01Å; V549-C568 VanDerWaalsContact CG2-SG 3.53Å; C568-L571 HydrophobicContact CB-CD1 4.34Å; C568-L571 WeakPolarHBondContact O-CB 3.43Å; C568-L571 PolarHBondContact O-N 3.26Å |
| 569 | A | 93 | Very high | 89.8 | Confident | 23 Ų | 23 | 48 Ų | 48 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q542 T567 L571 I572 D573 | Q542-A569 HydrophobicContact CB-CB 4.36Å; Q542-A569 WeakPolarHBondContact O-CB 3.48Å; T567-A569 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.46Å; A569-I572 PolarHBondContact O-N 3.31Å; A569-D573 PolarHBondContact O-N 2.79Å |
| 570 | D | 95 | Very high | 89.3 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.1 | -31.9 | 176.1 | -72 | -71.6 | 0 | 0 | 0 | 112.9 | I565 K566 T567 I572 K574 | I565-D570 HydrophobicContact CB-CB 3.97Å; I565-D570 HydrophobicContact CG1-CB 4.13Å; I565-D570 HydrophobicContact CG2-CB 3.61Å; K566-D570 PolarHBondContact N-OD2 2.84Å; T567-D570 PolarHBondContact N-OD2 3.44Å; T567-D570 WeakPolarHBondContact O-CB 3.32Å; T567-D570 PolarHBondContact O-N 2.86Å; T567-D570 VanDerWaalsContact OG1-CG 3.32Å; T567-D570 PolarHBondContact OG1-N 3.17Å; T567-D570 VanDerWaalsContact OG1-N 3.09Å; T567-D570 PolarHBondContact OG1-OD2 3.12Å; D570-I572 VanDerWaalsContact C-N 3.33Å; D570-I572 PolarHBondContact O-N 3Å; D570-K574 HydrophobicContact CB-CD 4.46Å; D570-K574 VanDerWaalsContact O-CB 3.27Å; D570-K574 WeakPolarHBondContact O-CB 3.09Å; D570-K574 PolarHBondContact O-N 3.2Å; D570-K574 IonicContact OD1-NZ 3.93Å; D570-K574 PolarHBondContact OD1-NZ 2.82Å |
| 571 | L | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 176.5 | -64.3 | 173.2 | 0 | 0 | 0 | 112.2 | V546 L560 I565 C568 A569 R575 L578 Y590 M591 I593 A594 | V546-L571 HydrophobicContact CG1-CD1 4.06Å; V546-L571 HydrophobicContact CG1-CD2 4.39Å; V546-L571 HydrophobicContact CG1-CG 4.1Å; L560-L571 HydrophobicContact CD1-CD2 4.15Å; L560-L571 HydrophobicContact CD2-CD2 4.01Å; I565-L571 HydrophobicContact CG2-CD2 3.58Å; I565-L571 HydrophobicContact CG2-CG 4.04Å; C568-L571 HydrophobicContact CB-CD1 4.34Å; C568-L571 WeakPolarHBondContact O-CB 3.43Å; C568-L571 PolarHBondContact O-N 3.26Å; A569-L571 PolarHBondContact O-N 3.46Å; L571-R575 WeakPolarHBondContact O-CA 3.41Å; L571-R575 WeakPolarHBondContact O-CB 3.2Å; L571-R575 PolarHBondContact O-N 3.43Å; L571-L578 HydrophobicContact CB-CD1 4.49Å; L571-L578 HydrophobicContact CD2-CD1 3.92Å; L571-Y590 HydrophobicContact CD2-CD1 4.36Å; L571-Y590 HydrophobicContact CD2-CG 4.23Å; L571-M591 VanDerWaalsContact O-CE 3.3Å; L571-M591 WeakPolarHBondContact O-CE 3.42Å; L571-I593 HydrophobicContact CD1-CG2 3.84Å; L571-A594 HydrophobicContact CB-CB 3.97Å; L571-A594 HydrophobicContact CD1-CB 4.26Å |
| 572 | I | 85.7 | Confident | 88.2 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.8 | -43.7 | 178.1 | -51.9 | -175.6 | 0 | 0 | 0 | 110.1 | L246 A569 D570 R575 A594 | L246-I572 HydrophobicContact CD1-CG2 4.12Å; A569-I572 PolarHBondContact O-N 3.31Å; D570-I572 VanDerWaalsContact C-N 3.33Å; D570-I572 PolarHBondContact O-N 3Å; I572-R575 VanDerWaalsContact O-CB 3.31Å; I572-R575 WeakPolarHBondContact O-CB 3.4Å; I572-R575 WeakPolarHBondContact O-CD 3.38Å; I572-R575 WeakPolarHBondContact O-CG 3.32Å; I572-R575 PolarHBondContact O-N 2.9Å; I572-R575 PolarHBondContact O-NH1 2.82Å; I572-A594 HydrophobicContact CD1-CB 4.02Å; I572-A594 HydrophobicContact CG1-CB 3.57Å |
| 573 | D | 87.2 | Confident | 87.8 | Confident | 116 Ų | 116 | 51.9 Ų | 51.9 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.3 | -44 | -175.8 | -59.3 | -29 | 0 | 0 | 0 | 110.9 | A569 R575 | A569-D573 PolarHBondContact O-N 2.79Å; D573-R575 VanDerWaalsContact C-N 3.31Å; D573-R575 PolarHBondContact O-N 3.2Å |
| 574 | K | 88.7 | Confident | 87.2 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 19.3 | 179.4 | -62 | 161.4 | -178.9 | 152.3 | 0 | 112.6 | G564 I565 D570 G576 L577 L578 | G564-K574 PolarHBondContact O-NZ 2.97Å; I565-K574 HydrophobicContact CD1-CB 4.11Å; I565-K574 HydrophobicContact CG1-CB 4.12Å; I565-K574 HydrophobicContact CG1-CD 3.72Å; D570-K574 HydrophobicContact CB-CD 4.46Å; D570-K574 VanDerWaalsContact O-CB 3.27Å; D570-K574 WeakPolarHBondContact O-CB 3.09Å; D570-K574 PolarHBondContact O-N 3.2Å; D570-K574 IonicContact OD1-NZ 3.93Å; D570-K574 PolarHBondContact OD1-NZ 2.82Å; K574-G576 PolarHBondContact O-N 2.78Å; K574-L577 HydrophobicContact CB-CB 4.49Å; K574-L577 WeakPolarHBondContact O-CB 3.39Å; K574-L577 PolarHBondContact O-N 3.38Å; K574-L578 PolarHBondContact O-N 3.5Å |
| 575 | R | 84.8 | Confident | 86.6 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 28% | 0.275 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.1 | -32.1 | 179.7 | 75.9 | -170.6 | 179.8 | -67.6 | -4.4 | 113.4 | D243 L571 I572 D573 L578 W579 M587 M591 | D243-R575 IonicContact OD1-CZ 3.22Å; D243-R575 VanDerWaalsContact OD1-CZ 3.31Å; D243-R575 IonicContact OD1-NE 2.81Å; D243-R575 PolarHBondContact OD1-NE 3.46Å; D243-R575 IonicContact OD1-NH2 2.69Å; D243-R575 PolarHBondContact OD1-NH2 3.1Å; D243-R575 VanDerWaalsContact OD1-NH2 3.1Å; D243-R575 IonicContact OD2-CZ 3.37Å; D243-R575 IonicContact OD2-NE 3.57Å; D243-R575 IonicContact OD2-NH2 3.35Å; D243-R575 PolarHBondContact OD2-NH2 2.73Å; L571-R575 WeakPolarHBondContact O-CA 3.41Å; L571-R575 WeakPolarHBondContact O-CB 3.2Å; L571-R575 PolarHBondContact O-N 3.43Å; I572-R575 VanDerWaalsContact O-CB 3.31Å; I572-R575 WeakPolarHBondContact O-CB 3.4Å; I572-R575 WeakPolarHBondContact O-CD 3.38Å; I572-R575 WeakPolarHBondContact O-CG 3.32Å; I572-R575 PolarHBondContact O-N 2.9Å; I572-R575 PolarHBondContact O-NH1 2.82Å; D573-R575 VanDerWaalsContact C-N 3.31Å; D573-R575 PolarHBondContact O-N 3.2Å; R575-L578 PolarHBondContact O-N 2.85Å; R575-W579 PolarHBondContact O-N 3.03Å; R575-M587 HydrophobicContact CB-CE 3.97Å; R575-M587 WeakPolarHBondContact O-CE 3.17Å; R575-M591 HydrophobicContact CB-CE 3.82Å; R575-M591 HydrophobicContact CB-SD 4Å |
| 576 | G | 79.5 | Confident | 86.1 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | K574 W579 H580 | K574-G576 PolarHBondContact O-N 2.78Å; G576-W579 WeakPolarHBondContact O-CB 3.34Å; G576-W579 PolarHBondContact O-N 3.01Å; G576-H580 PolarHBondContact O-CD2 2.76Å; G576-H580 VanDerWaalsContact O-CD2 3.32Å |
| 577 | L | 83.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 54.1 Ų | 54.1 | 38% | 0.382 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 173 | -178.3 | 158.8 | 0 | 0 | 0 | 110.6 | F563 K574 W579 H580 V581 | F563-L577 HydrophobicContact CB-CD2 3.85Å; F563-L577 HydrophobicContact CD1-CD2 4.49Å; F563-L577 HydrophobicContact CD2-CD2 4.34Å; F563-L577 HydrophobicContact CG-CD2 3.99Å; K574-L577 HydrophobicContact CB-CB 4.49Å; K574-L577 WeakPolarHBondContact O-CB 3.39Å; K574-L577 PolarHBondContact O-N 3.38Å; L577-W579 PolarHBondContact O-N 3.5Å; L577-H580 PolarHBondContact O-N 3.19Å; L577-H580 VanDerWaalsContact O-N 3.16Å; L577-V581 HydrophobicContact CD2-CG1 4.32Å; L577-V581 HydrophobicContact CD2-CG2 3.83Å; L577-V581 WeakPolarHBondContact O-CG2 3.42Å; L577-V581 PolarHBondContact O-N 2.74Å |
| 578 | L | 83.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56 | -37.7 | 178.9 | -74.6 | 175.7 | 0 | 0 | 0 | 112.6 | L560 F563 I565 L571 K574 R575 H580 V581 S582 M587 Y590 M591 | L560-L578 HydrophobicContact CD2-CD2 3.83Å; F563-L578 HydrophobicContact CD2-CD2 4.3Å; I565-L578 HydrophobicContact CD1-CD1 4Å; I565-L578 HydrophobicContact CD1-CD2 3.55Å; I565-L578 HydrophobicContact CD1-CG 3.73Å; L571-L578 HydrophobicContact CB-CD1 4.49Å; L571-L578 HydrophobicContact CD2-CD1 3.92Å; K574-L578 PolarHBondContact O-N 3.5Å; R575-L578 PolarHBondContact O-N 2.85Å; L578-H580 VanDerWaalsContact C-N 3.35Å; L578-H580 PolarHBondContact O-N 3.22Å; L578-V581 PolarHBondContact O-N 3.33Å; L578-S582 WeakPolarHBondContact O-CB 3.27Å; L578-S582 PolarHBondContact O-N 2.89Å; L578-S582 PolarHBondContact O-OG 3.43Å; L578-M587 HydrophobicContact CB-SD 3.97Å; L578-Y590 HydrophobicContact CD1-CD2 3.95Å; L578-Y590 HydrophobicContact CD1-CG 4.41Å; L578-Y590 HydrophobicContact CD2-CD2 3.97Å; L578-Y590 HydrophobicContact CD2-CE2 3.92Å; L578-Y590 HydrophobicContact CG-CD2 4.43Å; L578-M591 HydrophobicContact CD1-CE 4.26Å |
| 579 | W | 79.9 | Confident | 84.5 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 177.4 | -179.6 | -103.7 | 0 | 0 | 0 | 113.1 | L241 R575 G576 L577 M587 | L241-W579 HydrophobicContact CD2-CH2 3.68Å; L241-W579 HydrophobicContact CD2-CZ3 4.32Å; L241-W579 HydrophobicContact CG-CH2 4.38Å; R575-W579 PolarHBondContact O-N 3.03Å; G576-W579 WeakPolarHBondContact O-CB 3.34Å; G576-W579 PolarHBondContact O-N 3.01Å; L577-W579 PolarHBondContact O-N 3.5Å; W579-M587 HydrophobicContact CE3-CE 4.44Å; W579-M587 HydrophobicContact CE3-CG 4.09Å |
| 580 | H | 80.5 | Confident | 84.4 | Confident | 128 Ų | 128 | 57.2 Ų | 57.2 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -82.4 | -22.6 | -177.9 | -66.3 | -79.8 | 0 | 0 | 0 | 114.2 | G576 L577 L578 | G576-H580 PolarHBondContact O-CD2 2.76Å; G576-H580 VanDerWaalsContact O-CD2 3.32Å; L577-H580 PolarHBondContact O-N 3.19Å; L577-H580 VanDerWaalsContact O-N 3.16Å; L578-H580 VanDerWaalsContact C-N 3.35Å; L578-H580 PolarHBondContact O-N 3.22Å |
| 581 | V | 82.7 | Confident | 84.1 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -104.4 | -9.1 | -176.8 | -53.2 | 0 | 0 | 0 | 0 | 114.5 | I66 F563 L577 L578 | I66-V581 HydrophobicContact CD1-CG1 4.32Å; F563-V581 HydrophobicContact CD2-CG2 3.86Å; F563-V581 HydrophobicContact CE1-CB 4.45Å; F563-V581 HydrophobicContact CE1-CG2 4.23Å; F563-V581 HydrophobicContact CE2-CB 4.29Å; F563-V581 HydrophobicContact CE2-CG2 3.44Å; F563-V581 VanDerWaalsContact CE2-CG2 3.44Å; F563-V581 HydrophobicContact CG-CG2 4.43Å; F563-V581 HydrophobicContact CZ-CB 4.01Å; F563-V581 HydrophobicContact CZ-CG2 3.65Å; L577-V581 HydrophobicContact CD2-CG1 4.32Å; L577-V581 HydrophobicContact CD2-CG2 3.83Å; L577-V581 WeakPolarHBondContact O-CG2 3.42Å; L577-V581 PolarHBondContact O-N 2.74Å; L578-V581 PolarHBondContact O-N 3.33Å |
| 582 | S | 82 | Confident | 83.8 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -120.2 | 157 | -172.9 | -44.6 | 0 | 0 | 0 | 0 | 112.5 | L578 | L578-S582 WeakPolarHBondContact O-CB 3.27Å; L578-S582 PolarHBondContact O-N 2.89Å; L578-S582 PolarHBondContact O-OG 3.43Å |
| 583 | T | 81.8 | Confident | 84 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | trans | -71.1 | 156.4 | 170.3 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | T585 S586 M587 | T583-T585 PolarHBondContact O-N 3.18Å; T583-S586 CarbonylContact O-C 3.42Å; T583-S586 WeakPolarHBondContact O-CA 3.4Å; T583-S586 WeakPolarHBondContact O-CB 3.14Å; T583-S586 PolarHBondContact O-N 2.79Å; T583-S586 WeakPolarHBondContact OG1-CB 3.35Å; T583-S586 PolarHBondContact OG1-N 3.25Å; T583-S586 PolarHBondContact OG1-OG 3.32Å; T583-M587 PolarHBondContact O-N 3.41Å | ||
| 584 | K | 78.6 | Confident | 84.1 | Confident | 105 Ų | 105 | 53.2 Ų | 53.2 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -48.8 | -42.6 | 171.6 | -175.6 | -177.2 | 177.8 | -171.5 | 0 | 112.3 | M587 I588 | K584-M587 PolarHBondContact O-N 3.16Å; K584-I588 HydrophobicContact CG-CD1 4.38Å; K584-I588 WeakPolarHBondContact O-CG1 3.48Å; K584-I588 PolarHBondContact O-N 2.91Å |
| 585 | T | 79.2 | Confident | 83.9 | Confident | 110 Ų | 110 | 49.9 Ų | 49.9 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.9 | -43.5 | 177 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | T583 M587 Y589 | T583-T585 PolarHBondContact O-N 3.18Å; T585-M587 VanDerWaalsContact C-N 3.34Å; T585-Y589 WeakPolarHBondContact O-CB 3.44Å; T585-Y589 PolarHBondContact O-N 3.29Å |
| 586 | S | 84.9 | Confident | 84.2 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 173.9 | -55 | 0 | 0 | 0 | 0 | 111.8 | T583 Y589 Y590 | T583-S586 CarbonylContact O-C 3.42Å; T583-S586 WeakPolarHBondContact O-CA 3.4Å; T583-S586 WeakPolarHBondContact O-CB 3.14Å; T583-S586 PolarHBondContact O-N 2.79Å; T583-S586 WeakPolarHBondContact OG1-CB 3.35Å; T583-S586 PolarHBondContact OG1-N 3.25Å; T583-S586 PolarHBondContact OG1-OG 3.32Å; S586-Y589 WeakPolarHBondContact O-CB 3.35Å; S586-Y589 PolarHBondContact O-N 3.32Å; S586-Y590 WeakPolarHBondContact O-CD2 3.36Å; S586-Y590 PolarHBondContact O-N 3.32Å |
| 587 | M | 83.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 177.8 | -175 | 65.7 | 174.8 | 0 | 0 | 111.8 | R575 L578 W579 T583 K584 T585 Y589 Y590 M591 | R575-M587 HydrophobicContact CB-CE 3.97Å; R575-M587 WeakPolarHBondContact O-CE 3.17Å; L578-M587 HydrophobicContact CB-SD 3.97Å; W579-M587 HydrophobicContact CE3-CE 4.44Å; W579-M587 HydrophobicContact CE3-CG 4.09Å; T583-M587 PolarHBondContact O-N 3.41Å; K584-M587 PolarHBondContact O-N 3.16Å; T585-M587 VanDerWaalsContact C-N 3.34Å; M587-Y589 VanDerWaalsContact C-N 3.28Å; M587-Y589 PolarHBondContact O-N 3.25Å; M587-Y590 PolarHBondContact O-N 2.79Å; M587-M591 HydrophobicContact CE-CE 3.96Å; M587-M591 HydrophobicContact CE-CG 4.22Å; M587-M591 HydrophobicContact CE-SD 3.99Å; M587-M591 WeakPolarHBondContact O-CG 3.29Å; M587-M591 PolarHBondContact O-N 2.9Å; M587-M591 HydrophobicContact SD-CE 4.03Å |
| 588 | I | 80.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 175.2 | -67.5 | 162.8 | 0 | 0 | 0 | 110.6 | I245 K584 M591 R592 F618 | I245-I588 HydrophobicContact CD1-CD1 4.45Å; I245-I588 HydrophobicContact CD1-CG1 3.51Å; I245-I588 HydrophobicContact CG1-CG1 4.23Å; K584-I588 HydrophobicContact CG-CD1 4.38Å; K584-I588 WeakPolarHBondContact O-CG1 3.48Å; K584-I588 PolarHBondContact O-N 2.91Å; I588-M591 PolarHBondContact O-N 2.89Å; I588-R592 HydrophobicContact CG2-CG 4.4Å; I588-R592 WeakPolarHBondContact O-CB 3.35Å; I588-R592 VanDerWaalsContact O-CG 3.29Å; I588-R592 WeakPolarHBondContact O-CG 3.37Å; I588-R592 PolarHBondContact O-N 3.38Å; I588-F618 HydrophobicContact CD1-CE1 4.41Å |
| 589 | Y | 86.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 45.2 Ų | 45.2 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -45 | 177.8 | 173.8 | -107.6 | 0 | 0 | 0 | 112.6 | G551 I552 T585 S586 M587 I593 | G551-Y589 WeakPolarHBondContact CA-OH 3.36Å; G551-Y589 PolarHBondContact O-OH 3.41Å; I552-Y589 HydrophobicContact CG1-CE1 4.22Å; I552-Y589 PolarHBondContact N-OH 3.04Å; T585-Y589 WeakPolarHBondContact O-CB 3.44Å; T585-Y589 PolarHBondContact O-N 3.29Å; S586-Y589 WeakPolarHBondContact O-CB 3.35Å; S586-Y589 PolarHBondContact O-N 3.32Å; M587-Y589 VanDerWaalsContact C-N 3.28Å; M587-Y589 PolarHBondContact O-N 3.25Å; Y589-I593 HydrophobicContact CD1-CD1 4.3Å; Y589-I593 HydrophobicContact CD2-CD1 4.26Å; Y589-I593 HydrophobicContact CE1-CD1 3.71Å; Y589-I593 HydrophobicContact CE2-CD1 3.65Å; Y589-I593 HydrophobicContact CE2-CG1 4.43Å; Y589-I593 PolarHBondContact O-N 3.5Å; Y589-I593 WeakPolarHBondContact OH-CD1 3.44Å |
| 590 | Y | 90.1 | Very high | 84.2 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.1 | -62.5 | -33.1 | 0 | 0 | 0 | 112.6 | T556 L560 L571 L578 S586 M587 I593 A594 | T556-Y590 HydrophobicContact CG2-CE1 3.97Å; L560-Y590 HydrophobicContact CD1-CE1 4.18Å; L560-Y590 HydrophobicContact CD2-CE1 4.18Å; L560-Y590 HydrophobicContact CD2-CE2 4.21Å; L571-Y590 HydrophobicContact CD2-CD1 4.36Å; L571-Y590 HydrophobicContact CD2-CG 4.23Å; L578-Y590 HydrophobicContact CD1-CD2 3.95Å; L578-Y590 HydrophobicContact CD1-CG 4.41Å; L578-Y590 HydrophobicContact CD2-CD2 3.97Å; L578-Y590 HydrophobicContact CD2-CE2 3.92Å; L578-Y590 HydrophobicContact CG-CD2 4.43Å; S586-Y590 WeakPolarHBondContact O-CD2 3.36Å; S586-Y590 PolarHBondContact O-N 3.32Å; M587-Y590 PolarHBondContact O-N 2.79Å; Y590-I593 PolarHBondContact O-N 3.42Å; Y590-A594 WeakPolarHBondContact O-CB 3.31Å; Y590-A594 PolarHBondContact O-N 2.97Å |
| 591 | M | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 178.3 | -61.5 | -57.2 | 98.3 | 0 | 0 | 112.4 | I245 L246 L249 L571 R575 L578 M587 I588 A594 L595 | I245-M591 HydrophobicContact CG2-CB 3.35Å; I245-M591 HydrophobicContact CG2-CG 3.58Å; L246-M591 HydrophobicContact CD1-SD 4.12Å; L246-M591 HydrophobicContact CD2-CB 3.96Å; L246-M591 HydrophobicContact CD2-CG 4.26Å; L246-M591 HydrophobicContact CD2-SD 3.8Å; L246-M591 HydrophobicContact CG-CG 4.47Å; L246-M591 HydrophobicContact CG-SD 3.94Å; L249-M591 HydrophobicContact CD1-CB 4.16Å; L571-M591 VanDerWaalsContact O-CE 3.3Å; L571-M591 WeakPolarHBondContact O-CE 3.42Å; R575-M591 HydrophobicContact CB-CE 3.82Å; R575-M591 HydrophobicContact CB-SD 4Å; L578-M591 HydrophobicContact CD1-CE 4.26Å; M587-M591 HydrophobicContact CE-CE 3.96Å; M587-M591 HydrophobicContact CE-CG 4.22Å; M587-M591 HydrophobicContact CE-SD 3.99Å; M587-M591 WeakPolarHBondContact O-CG 3.29Å; M587-M591 PolarHBondContact O-N 2.9Å; M587-M591 HydrophobicContact SD-CE 4.03Å; I588-M591 PolarHBondContact O-N 2.89Å; M591-A594 PolarHBondContact O-N 3.27Å; M591-L595 PolarHBondContact O-N 3.31Å |
| 592 | R | 87.9 | Confident | 83.1 | Confident | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 172.6 | -80.1 | 179.1 | 64.6 | 167.2 | 1.5 | 112 | L249 I588 G596 H597 D599 | L249-R592 HydrophobicContact CD1-CB 4.35Å; L249-R592 HydrophobicContact CD1-CG 3.61Å; L249-R592 HydrophobicContact CD2-CG 3.68Å; L249-R592 HydrophobicContact CG-CG 4.32Å; I588-R592 HydrophobicContact CG2-CG 4.4Å; I588-R592 WeakPolarHBondContact O-CB 3.35Å; I588-R592 VanDerWaalsContact O-CG 3.29Å; I588-R592 WeakPolarHBondContact O-CG 3.37Å; I588-R592 PolarHBondContact O-N 3.38Å; R592-G596 PolarHBondContact O-N 2.83Å; R592-H597 PolarHBondContact NE-O 2.96Å; R592-H597 PolarHBondContact O-N 2.72Å; R592-D599 VanDerWaalsContact NH2-N 3.1Å |
| 593 | I | 89.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 175.5 | -80.7 | 178.3 | 0 | 0 | 0 | 110.8 | M541 V549 I552 L571 Y589 Y590 L595 G596 | M541-I593 VanDerWaalsContact CE-O 3.32Å; M541-I593 WeakPolarHBondContact CE-O 3.4Å; V549-I593 HydrophobicContact CB-CG2 4.25Å; V549-I593 HydrophobicContact CG1-CB 4.37Å; V549-I593 HydrophobicContact CG1-CD1 3.8Å; V549-I593 HydrophobicContact CG1-CG1 3.83Å; V549-I593 HydrophobicContact CG1-CG2 3.78Å; V549-I593 HydrophobicContact CG2-CG2 3.96Å; I552-I593 HydrophobicContact CD1-CD1 3.76Å; I552-I593 HydrophobicContact CD1-CG2 4.32Å; I552-I593 HydrophobicContact CG1-CD1 3.84Å; L571-I593 HydrophobicContact CD1-CG2 3.84Å; Y589-I593 HydrophobicContact CD1-CD1 4.3Å; Y589-I593 HydrophobicContact CD2-CD1 4.26Å; Y589-I593 HydrophobicContact CE1-CD1 3.71Å; Y589-I593 HydrophobicContact CE2-CD1 3.65Å; Y589-I593 HydrophobicContact CE2-CG1 4.43Å; Y589-I593 PolarHBondContact O-N 3.5Å; Y589-I593 WeakPolarHBondContact OH-CD1 3.44Å; Y590-I593 PolarHBondContact O-N 3.42Å; I593-L595 VanDerWaalsContact C-N 3.27Å; I593-L595 PolarHBondContact O-N 3.07Å; I593-G596 PolarHBondContact O-N 3.15Å |
| 594 | A | 88.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -32.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L571 I572 Y590 M591 | L571-A594 HydrophobicContact CB-CB 3.97Å; L571-A594 HydrophobicContact CD1-CB 4.26Å; I572-A594 HydrophobicContact CD1-CB 4.02Å; I572-A594 HydrophobicContact CG1-CB 3.57Å; Y590-A594 WeakPolarHBondContact O-CB 3.31Å; Y590-A594 PolarHBondContact O-N 2.97Å; M591-A594 PolarHBondContact O-N 3.27Å |
| 595 | L | 85.8 | Confident | 80 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 0.9 | 173.9 | -67.7 | 174.6 | 0 | 0 | 0 | 114.3 | L246 L249 R250 R253 M591 I593 H597 | L246-L595 HydrophobicContact CB-CD1 4.41Å; L246-L595 HydrophobicContact CD2-CD1 3.6Å; L246-L595 HydrophobicContact CD2-CD2 4.18Å; L246-L595 HydrophobicContact CD2-CG 3.75Å; L246-L595 WeakPolarHBondContact O-CD1 3.31Å; L249-L595 HydrophobicContact CB-CD1 3.55Å; L249-L595 HydrophobicContact CD1-CD1 4.19Å; R250-L595 HydrophobicContact CG-CD1 4.01Å; R250-L595 HydrophobicContact CG-CD2 3.94Å; R253-L595 VanDerWaalsContact CZ-O 3.3Å; R253-L595 PolarHBondContact NE-O 2.91Å; R253-L595 PolarHBondContact NH2-O 3.43Å; M591-L595 PolarHBondContact O-N 3.31Å; I593-L595 VanDerWaalsContact C-N 3.27Å; I593-L595 PolarHBondContact O-N 3.07Å; L595-H597 VanDerWaalsContact C-N 3.3Å; L595-H597 HydrophobicContact CB-CB 4.39Å; L595-H597 PolarHBondContact O-N 2.76Å |
| 596 | G | 89.8 | Confident | 78 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 34.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | N511 R592 I593 | N511-G596 PolarHBondContact ND2-O 2.91Å; N511-G596 PolarHBondContact OD1-O 3.21Å; R592-G596 PolarHBondContact O-N 2.83Å; I593-G596 PolarHBondContact O-N 3.15Å |
| 597 | H | 85.4 | Confident | 75.3 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | trans | -105.5 | 97.9 | -172.8 | -180 | -57.3 | 0 | 0 | 0 | 112.1 | L249 R592 L595 | L249-H597 PolarHBondContact O-CD2 3.16Å; R592-H597 PolarHBondContact NE-O 2.96Å; R592-H597 PolarHBondContact O-N 2.72Å; L595-H597 VanDerWaalsContact C-N 3.3Å; L595-H597 HydrophobicContact CB-CB 4.39Å; L595-H597 PolarHBondContact O-N 2.76Å | ||
| 598 | S | 83.9 | Confident | 72.6 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | trans | -76.3 | 171.2 | 164.1 | 35.5 | 0 | 0 | 0 | 0 | 112.2 | N511 T512 L513 D600 | N511-S598 VanDerWaalsContact CB-OG 3.29Å; N511-S598 WeakPolarHBondContact CB-OG 3.48Å; N511-S598 PolarHBondContact OD1-OG 3.46Å; T512-S598 PolarHBondContact N-OG 2.98Å; T512-S598 WeakPolarHBondContact OG1-CB 3.07Å; T512-S598 PolarHBondContact OG1-OG 3.23Å; L513-S598 PolarHBondContact N-OG 3.36Å; S598-D600 WeakPolarHBondContact CB-OD1 3.07Å; S598-D600 PolarHBondContact OG-OD1 2.78Å | ||
| 599 | D | 79.9 | Confident | 69.9 | Low | 52 Ų | 52 | 44.8 Ų | 44.8 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | trans | -114.4 | 117.6 | 164.2 | 178.7 | -1.7 | 0 | 0 | 0 | 105.5 | R592 R601 W602 | R592-D599 VanDerWaalsContact NH2-N 3.1Å; D599-R601 WeakPolarHBondContact OD1-CG 3.5Å; D599-R601 IonicContact OD1-CZ 3.67Å; D599-R601 PolarHBondContact OD1-N 3.11Å; D599-R601 IonicContact OD1-NE 3.21Å; D599-R601 PolarHBondContact OD1-NE 3.06Å; D599-R601 IonicContact OD1-NH2 2.66Å; D599-R601 IonicContact OD2-CZ 2.73Å; D599-R601 IonicContact OD2-NE 3.16Å; D599-R601 PolarHBondContact OD2-NE 3.19Å; D599-R601 IonicContact OD2-NH2 3.8Å; D599-R601 PolarHBondContact OD2-NH2 3.47Å; D599-W602 VanDerWaalsContact O-CD1 3.3Å; D599-W602 PolarHBondContact O-NE1 3.37Å | ||
| 600 | D | 79 | Confident | 66.8 | Low | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | trans | -113.2 | 9.7 | -166.6 | -68.4 | -6.5 | 0 | 0 | 0 | 112.2 | N511 T512 S598 W602 L603 | N511-D600 WeakPolarHBondContact CA-OD2 3.45Å; N511-D600 WeakPolarHBondContact CB-OD2 3.49Å; T512-D600 WeakPolarHBondContact CB-OD1 3.35Å; T512-D600 HydrophobicContact CG2-CB 4.26Å; T512-D600 VanDerWaalsContact CG2-CG 3.45Å; T512-D600 VanDerWaalsContact CG2-OD1 3.26Å; T512-D600 WeakPolarHBondContact CG2-OD1 3.11Å; T512-D600 PolarHBondContact N-OD1 2.78Å; T512-D600 PolarHBondContact N-OD2 2.97Å; T512-D600 PolarHBondContact OG1-OD1 3.43Å; S598-D600 WeakPolarHBondContact CB-OD1 3.07Å; S598-D600 PolarHBondContact OG-OD1 2.78Å; D600-W602 PolarHBondContact O-N 3.06Å; D600-L603 WeakPolarHBondContact O-CB 3.23Å; D600-L603 PolarHBondContact O-N 3.34Å | ||
| 601 | R | 69.4 | Low | 63.8 | Low | 162 Ų | 162 | 46.7 Ų | 46.7 | 61% | 0.611 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -55.6 | -40.5 | -177.3 | -70.7 | 178.3 | -72.9 | 163.9 | 1.8 | 112 | D599 L603 T604 N605 | D599-R601 WeakPolarHBondContact OD1-CG 3.5Å; D599-R601 IonicContact OD1-CZ 3.67Å; D599-R601 PolarHBondContact OD1-N 3.11Å; D599-R601 IonicContact OD1-NE 3.21Å; D599-R601 PolarHBondContact OD1-NE 3.06Å; D599-R601 IonicContact OD1-NH2 2.66Å; D599-R601 IonicContact OD2-CZ 2.73Å; D599-R601 IonicContact OD2-NE 3.16Å; D599-R601 PolarHBondContact OD2-NE 3.19Å; D599-R601 IonicContact OD2-NH2 3.8Å; D599-R601 PolarHBondContact OD2-NH2 3.47Å; R601-L603 PolarHBondContact O-N 3.14Å; R601-L603 VanDerWaalsContact O-N 3.09Å; R601-T604 PolarHBondContact O-N 3.4Å; R601-T604 VanDerWaalsContact O-N 3.09Å; R601-N605 PolarHBondContact O-OD1 2.75Å |
| 602 | W | 69.8 | Low | 61 | Low | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.2 | -15.2 | 175.5 | 61.7 | -95.2 | 0 | 0 | 0 | 114.9 | Y136 Y371 T512 D599 D600 | Y136-W602 HydrophobicContact CE2-CB 4.42Å; Y371-W602 AromaticContact CD2-CH2 3.58Å; Y371-W602 HydrophobicContact CD2-CH2 3.58Å; Y371-W602 HydrophobicContact CD2-CZ3 4.29Å; Y371-W602 AromaticContact CE2-CH2 3.94Å; Y371-W602 HydrophobicContact CE2-CH2 3.94Å; Y371-W602 HydrophobicContact CG-CH2 4.09Å; T512-W602 HydrophobicContact CG2-CH2 3.75Å; T512-W602 HydrophobicContact CG2-CZ2 3.68Å; D599-W602 VanDerWaalsContact O-CD1 3.3Å; D599-W602 PolarHBondContact O-NE1 3.37Å; D600-W602 PolarHBondContact O-N 3.06Å |
| 603 | L | 71.4 | Confident | 58.2 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -88.4 | -24.4 | 176.7 | -179.6 | 57.4 | 0 | 0 | 0 | 112.6 | I259 P361 T512 D600 R601 | I259-L603 HydrophobicContact CD1-CD2 3.89Å; I259-L603 HydrophobicContact CG1-CD2 4.49Å; I259-L603 HydrophobicContact CG2-CD2 3.87Å; P361-L603 WeakPolarHBondContact CA-O 3.29Å; T512-L603 HydrophobicContact CG2-CD2 3.73Å; D600-L603 WeakPolarHBondContact O-CB 3.23Å; D600-L603 PolarHBondContact O-N 3.34Å; R601-L603 PolarHBondContact O-N 3.14Å; R601-L603 VanDerWaalsContact O-N 3.09Å |
| 604 | T | 57.2 | Low | 55.2 | Low | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -129.5 | 41.1 | -171.1 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | R257 P361 D373 R601 I606 | R257-T604 VanDerWaalsContact CZ-OG1 3.31Å; R257-T604 VanDerWaalsContact NH1-CG2 3.26Å; R257-T604 PolarHBondContact NH1-OG1 3.26Å; R257-T604 PolarHBondContact NH2-OG1 2.75Å; P361-T604 HydrophobicContact CB-CG2 4.37Å; D373-T604 HydrophobicContact CB-CG2 3.92Å; R601-T604 PolarHBondContact O-N 3.4Å; R601-T604 VanDerWaalsContact O-N 3.09Å; T604-I606 VanDerWaalsContact O-CB 3.32Å; T604-I606 WeakPolarHBondContact O-CB 3.48Å; T604-I606 WeakPolarHBondContact O-CG1 3.33Å | ||
| 605 | N | 48.7 | Very low | 52.2 | Low | 83 Ų | 83 | 54.3 Ų | 54.3 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | trans | -96.8 | 113 | 156.5 | -59.7 | -25.9 | 0 | 0 | 0 | 104.8 | R601 | R601-N605 PolarHBondContact O-OD1 2.75Š| ||
| 606 | I | 36.8 | Very low | 49.5 | Very low | 53 Ų | 53 | 54.4 Ų | 54.4 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | cis | 53.9 | 100.1 | 15.5 | -42.7 | -179.1 | 0 | 0 | 0 | 113.7 | N359 T604 N608 | N359-I606 VanDerWaalsContact CA-N 3.33Å; N359-I606 PolarHBondContact O-N 3.27Å; N359-I606 PolarHBondContact OD1-N 3.02Å; T604-I606 VanDerWaalsContact O-CB 3.32Å; T604-I606 WeakPolarHBondContact O-CB 3.48Å; T604-I606 WeakPolarHBondContact O-CG1 3.33Å; I606-N608 PolarHBondContact O-N 2.8Å | ||
| 607 | K | 28.1 | Very low | 46.7 | Very low | 116 Ų | 116 | 54.5 Ų | 54.5 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | trans | -63.1 | 81 | 156 | -73.4 | 166.9 | -171 | 173.7 | 0 | 108.8 | D358 N359 N609 | D358-K607 WeakPolarHBondContact OD2-CE 3.42Å; D358-K607 IonicContact OD2-NZ 2.84Å; D358-K607 PolarHBondContact OD2-NZ 3.06Å; N359-K607 PolarHBondContact ND2-N 3.35Å; N359-K607 WeakPolarHBondContact OD1-CG 3.49Å; N359-K607 PolarHBondContact OD1-N 3.07Å; K607-N609 PolarHBondContact O-N 3.42Å | ||
| 608 | N | 27.3 | Very low | 44 | Very low | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | trans | -66.2 | 75.5 | 145.1 | -71.9 | -18.8 | 0 | 0 | 0 | 107 | R233 I606 | R233-N608 HydrophobicContact CB-CB 4.05Å; R233-N608 WeakPolarHBondContact CD-OD1 3.46Å; R233-N608 PolarHBondContact NE-OD1 2.77Å; R233-N608 VanDerWaalsContact NE-OD1 3.09Å; R233-N608 PolarHBondContact NH1-OD1 2.8Å; I606-N608 PolarHBondContact O-N 2.8Å | ||
| 609 | N | 23.2 | Very low | 41.2 | Very low | 82 Ų | 82 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -0.6 | 122.8 | 132.8 | -95.1 | 24.2 | 0 | 0 | 0 | 113.7 | W231 P232 R233 K607 | W231-N609 WeakPolarHBondContact O-CB 2.82Å; W231-N609 PolarHBondContact O-ND2 3.36Å; P232-N609 CarbonylContact C-O 3.39Å; P232-N609 VanDerWaalsContact O-O 3.12Å; R233-N609 PolarHBondContact N-O 3Å; K607-N609 PolarHBondContact O-N 3.42Å | ||
| 610 | F | 23 | Very low | 38.6 | Very low | 82 Ų | 82 | 62.2 Ų | 62.2 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | trans | 47.4 | 87 | 164.8 | -54.9 | -96.8 | 0 | 0 | 0 | 117.2 | F230 W231 R233 | F230-F610 HydrophobicContact CB-CB 3.91Å; F230-F610 HydrophobicContact CB-CD1 3.39Å; F230-F610 HydrophobicContact CB-CE1 4.06Å; F230-F610 HydrophobicContact CB-CG 3.89Å; F230-F610 AromaticContact CD1-CD1 3.65Å; F230-F610 HydrophobicContact CD1-CD1 3.65Å; F230-F610 AromaticContact CD1-CE1 3.56Å; F230-F610 HydrophobicContact CD1-CE1 3.56Å; F230-F610 HydrophobicContact CE1-CE1 4.45Å; F230-F610 AromaticContact CG-CD1 3.83Å; F230-F610 HydrophobicContact CG-CD1 3.83Å; F230-F610 HydrophobicContact CG-CE1 4.21Å; W231-F610 HydrophobicContact CB-CD2 4.1Å; W231-F610 HydrophobicContact CB-CE2 3.83Å; W231-F610 HydrophobicContact CB-CZ 4.48Å; W231-F610 WeakPolarHBondContact O-CD2 3.43Å; W231-F610 WeakPolarHBondContact O-CE2 3.32Å; R233-F610 PolarHBondContact N-O 2.83Å | ||
| 611 | D | 25.6 | Very low | 36 | Very low | 57 Ų | 57 | 66.9 Ų | 66.9 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | -151.9 | 101.6 | 101.3 | -124.7 | -28.6 | 0 | 0 | 0 | 109.2 | R220 K613 S614 | R220-D611 IonicContact NH2-OD1 3.49Å; D611-K613 PolarHBondContact O-N 3.5Å; D611-S614 PolarHBondContact O-N 2.87Å; D611-S614 PolarHBondContact O-OG 3.3Å | |||
| 612 | E | 30.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.8 | -175.4 | -70.2 | 175.1 | 124.3 | 0 | 0 | 113.1 | I179 L180 Y183 | I179-E612 HydrophobicContact CG2-CB 3.63Å; I179-E612 HydrophobicContact CG2-CG 4.08Å; L180-E612 WeakPolarHBondContact CD2-O 3.46Å; Y183-E612 HydrophobicContact CE2-CB 3.84Å |
| 613 | K | 28.2 | Very low | 31.8 | Very low | 14 Ų | 14 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -35.9 | 172.7 | -81 | -176.2 | 177.1 | -65.2 | 0 | 115.4 | V99 Y183 I213 H216 D611 N615 | V99-K613 WeakPolarHBondContact CG1-O 3.34Å; Y183-K613 VanDerWaalsContact CB-NZ 3.25Å; Y183-K613 HydrophobicContact CD1-CD 4.17Å; Y183-K613 VanDerWaalsContact CD1-CE 3.41Å; Y183-K613 HydrophobicContact CD1-CG 3.68Å; Y183-K613 HydrophobicContact CD2-CB 4.27Å; Y183-K613 HydrophobicContact CD2-CG 3.42Å; Y183-K613 VanDerWaalsContact CD2-CG 3.42Å; Y183-K613 HydrophobicContact CE1-CD 4.36Å; Y183-K613 HydrophobicContact CE1-CG 3.8Å; Y183-K613 HydrophobicContact CE2-CB 4.36Å; Y183-K613 HydrophobicContact CE2-CG 3.61Å; Y183-K613 HydrophobicContact CG-CD 4.3Å; Y183-K613 HydrophobicContact CG-CG 3.47Å; Y183-K613 VanDerWaalsContact CG-CG 3.47Å; Y183-K613 VanDerWaalsContact CG-NZ 3.27Å; I213-K613 HydrophobicContact CD1-CD 4.2Å; H216-K613 WeakPolarHBondContact CD2-CE 3.18Å; H216-K613 PolarHBondContact CD2-NZ 2.94Å; H216-K613 WeakPolarHBondContact NE2-CE 3.34Å; H216-K613 PolarHBondContact NE2-NZ 2.87Å; D611-K613 PolarHBondContact O-N 3.5Å; K613-N615 PolarHBondContact O-N 2.9Å |
| 614 | S | 27.3 | Very low | 29.6 | Very low | 75 Ų | 75 | 76 Ų | 76 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -66.9 | 5.2 | -160.8 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | H100 D611 | H100-S614 VanDerWaalsContact O-O 3.14Å; D611-S614 PolarHBondContact O-N 2.87Å; D611-S614 PolarHBondContact O-OG 3.3Å |
| 615 | N | 26.4 | Very low | 28.3 | Very low | 58 Ų | 58 | 80.9 Ų | 80.9 | 31% | 0.31 | 43% | 0.427 | S | S | . | . | trans | -135.4 | 121 | -158.4 | -132.7 | 29.5 | 0 | 0 | 0 | 105.6 | V101 L180 K613 | V101-N615 WeakPolarHBondContact CA-OD1 3.45Å; V101-N615 VanDerWaalsContact CB-CA 3.49Å; V101-N615 HydrophobicContact CB-CB 3.65Å; V101-N615 HydrophobicContact CG1-CB 4.04Å; V101-N615 WeakPolarHBondContact CG1-ND2 3.45Å; V101-N615 WeakPolarHBondContact CG1-OD1 3.31Å; V101-N615 HydrophobicContact CG2-CB 3.28Å; V101-N615 VanDerWaalsContact CG2-CG 3.49Å; V101-N615 WeakPolarHBondContact CG2-O 3.17Å; V101-N615 PolarHBondContact N-OD1 3.21Å; V101-N615 VanDerWaalsContact N-OD1 3.16Å; L180-N615 WeakPolarHBondContact CD2-O 3.29Å; K613-N615 PolarHBondContact O-N 2.9Å | ||
| 616 | K | 28.7 | Very low | 27.4 | Very low | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.009 | 43% | 0.433 | C | S | . | . | trans | -171.9 | 75.6 | 159.7 | -116.2 | -137.3 | 178.6 | -170.7 | 0 | 116.9 | H100 V101 L180 F201 S202 A209 Y210 L211 | H100-K616 WeakPolarHBondContact CA-O 2.98Å; H100-K616 PolarHBondContact CD2-O 3.23Å; V101-K616 HydrophobicContact CG2-CB 4.42Å; L180-K616 HydrophobicContact CB-CG 4.23Å; L180-K616 HydrophobicContact CD1-CG 3.6Å; L180-K616 HydrophobicContact CD2-CG 4.24Å; L180-K616 HydrophobicContact CG-CG 4.22Å; F201-K616 VanDerWaalsContact CD2-CE 3.49Å; S202-K616 PolarHBondContact O-NZ 2.82Å; A209-K616 CarbonylContact C-O 3.55Å; A209-K616 HydrophobicContact CB-CB 4.38Å; A209-K616 HydrophobicContact CB-CD 3.35Å; A209-K616 HydrophobicContact CB-CG 3.8Å; A209-K616 CarbonylContact O-C 3.37Å; Y210-K616 WeakPolarHBondContact O-CD 3.47Å; Y210-K616 PolarHBondContact O-NZ 2.56Å; L211-K616 HydrophobicContact CB-CD 4.43Å; L211-K616 HydrophobicContact CD1-CB 3.4Å; L211-K616 VanDerWaalsContact CD1-CB 3.4Å; L211-K616 HydrophobicContact CD1-CD 3.55Å; L211-K616 HydrophobicContact CD1-CG 3.47Å; L211-K616 VanDerWaalsContact CD1-CG 3.47Å; L211-K616 HydrophobicContact CG-CB 4.4Å; L211-K616 HydrophobicContact CG-CD 3.62Å; L211-K616 HydrophobicContact CG-CG 4.03Å | ||
| 617 | S | 31.5 | Very low | 26.9 | Very low | 2 Ų | 2 | 85.8 Ų | 85.8 | 1% | 0.014 | 45% | 0.45 | C | S | . | . | trans | -44.7 | 0 | -146.1 | -131.1 | 0 | 0 | 0 | 0 | 117.3 | H100 V101 D102 D207 E208 A209 | H100-S617 VanDerWaalsContact CD2-CA 3.44Å; H100-S617 WeakPolarHBondContact CD2-CA 3.47Å; H100-S617 PolarHBondContact CD2-O 3.08Å; H100-S617 WeakPolarHBondContact CE1-CA 3.22Å; H100-S617 WeakPolarHBondContact CE1-CB 3.05Å; H100-S617 PolarHBondContact CE1-O 3.41Å; H100-S617 PolarHBondContact CE1-OG 3.4Å; H100-S617 WeakPolarHBondContact ND1-CA 3.46Å; H100-S617 WeakPolarHBondContact ND1-CB 3.3Å; H100-S617 PolarHBondContact ND1-O 3.33Å; H100-S617 PolarHBondContact ND1-OG 2.95Å; H100-S617 PolarHBondContact NE2-O 3.46Å; V101-S617 WeakPolarHBondContact O-CA 3.34Å; V101-S617 WeakPolarHBondContact O-CB 3.2Å; V101-S617 PolarHBondContact O-N 3.49Å; V101-S617 PolarHBondContact O-OG 3.41Å; D102-S617 WeakPolarHBondContact CA-OG 3.31Å; D102-S617 WeakPolarHBondContact CB-OG 3.22Å; D102-S617 PolarHBondContact N-OG 3.41Å; D102-S617 PolarHBondContact OD2-OG 3.21Å; D207-S617 WeakPolarHBondContact O-CB 3.43Å; E208-S617 CarbonylContact C-O 3.29Å; E208-S617 VanDerWaalsContact CA-CB 3.49Å; E208-S617 VanDerWaalsContact CA-O 3.24Å; E208-S617 WeakPolarHBondContact CA-O 3.41Å; E208-S617 VanDerWaalsContact CB-O 3.29Å; E208-S617 WeakPolarHBondContact CB-O 3.16Å; A209-S617 PolarHBondContact N-O 2.77Å; A209-S617 CarbonylContact O-C 3.35Å | ||
| 618 | F | 27.6 | Very low | 27 | Very low | 133 Ų | 133 | 84.9 Ų | 84.9 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | 0 | 17.5 | 0 | -132.9 | -110.6 | 0 | 0 | 0 | 127.8 | H100 Y210 I588 F620 | H100-F618 PolarHBondContact CD2-N 3.01Å; H100-F618 WeakPolarHBondContact CE1-CA 3.04Å; H100-F618 VanDerWaalsContact CE1-CB 3.47Å; H100-F618 WeakPolarHBondContact CE1-CB 3.03Å; H100-F618 PolarHBondContact CE1-N 2.93Å; H100-F618 WeakPolarHBondContact ND1-CA 3.5Å; H100-F618 VanDerWaalsContact ND1-CB 3.27Å; H100-F618 WeakPolarHBondContact ND1-CB 3.36Å; H100-F618 PolarHBondContact ND1-N 3.19Å; H100-F618 WeakPolarHBondContact NE2-CA 3.13Å; H100-F618 PolarHBondContact NE2-N 3.19Å; Y210-F618 VanDerWaalsContact OH-C 3.26Å; Y210-F618 WeakPolarHBondContact OH-CA 3.48Å; I588-F618 HydrophobicContact CD1-CE1 4.41Å; F618-F620 AromaticContact CD1-CE2 3.52Å; F618-F620 HydrophobicContact CD1-CE2 3.52Å; F618-F620 AromaticContact CD1-CZ 3.89Å; F618-F620 HydrophobicContact CD1-CZ 3.89Å; F618-F620 HydrophobicContact CD2-CE2 4.18Å; F618-F620 AromaticContact CD2-CZ 3.77Å; F618-F620 HydrophobicContact CD2-CZ 3.77Å; F618-F620 AromaticContact CE1-CE2 3.67Å; F618-F620 HydrophobicContact CE1-CE2 3.67Å; F618-F620 AromaticContact CE1-CZ 3.79Å; F618-F620 HydrophobicContact CE1-CZ 3.79Å; F618-F620 HydrophobicContact CE2-CE2 4.32Å; F618-F620 AromaticContact CE2-CZ 3.68Å; F618-F620 HydrophobicContact CE2-CZ 3.68Å; F618-F620 AromaticContact CG-CE2 3.8Å; F618-F620 HydrophobicContact CG-CE2 3.8Å; F618-F620 AromaticContact CG-CZ 3.88Å; F618-F620 HydrophobicContact CG-CZ 3.88Å; F618-F620 HydrophobicContact CZ-CE2 4.08Å; F618-F620 AromaticContact CZ-CZ 3.69Å; F618-F620 HydrophobicContact CZ-CZ 3.69Å; F618-F620 WeakPolarHBondContact O-CD2 3.09Å; F618-F620 WeakPolarHBondContact O-CE2 3.15Å | |||
| 619 | G | 25.5 | Very low | 26.8 | Very low | 25 Ų | 25 | 85.9 Ų | 85.9 | 26% | 0.258 | 47% | 0.467 | S | S | . | . | trans | -103.8 | 65 | -179.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | H100 Y210 I621 | H100-G619 PolarHBondContact CE1-N 2.89Å; H100-G619 PolarHBondContact NE2-N 2.59Å; Y210-G619 PolarHBondContact OH-N 2.78Å; Y210-G619 VanDerWaalsContact OH-N 3.09Å; G619-I621 PolarHBondContact O-N 3.03Å | ||
| 620 | F | 24.9 | Very low | 26.9 | Very low | 100 Ų | 100 | 82.9 Ų | 82.9 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | trans | -46.4 | 119.2 | -167.4 | -55.5 | -97.7 | 0 | 0 | 0 | 113.3 | Y210 F618 | Y210-F620 VanDerWaalsContact OH-CA 3.25Å; Y210-F620 WeakPolarHBondContact OH-CA 3.44Å; Y210-F620 PolarHBondContact OH-N 3.17Å; Y210-F620 VanDerWaalsContact OH-N 3.11Å; F618-F620 AromaticContact CD1-CE2 3.52Å; F618-F620 HydrophobicContact CD1-CE2 3.52Å; F618-F620 AromaticContact CD1-CZ 3.89Å; F618-F620 HydrophobicContact CD1-CZ 3.89Å; F618-F620 HydrophobicContact CD2-CE2 4.18Å; F618-F620 AromaticContact CD2-CZ 3.77Å; F618-F620 HydrophobicContact CD2-CZ 3.77Å; F618-F620 AromaticContact CE1-CE2 3.67Å; F618-F620 HydrophobicContact CE1-CE2 3.67Å; F618-F620 AromaticContact CE1-CZ 3.79Å; F618-F620 HydrophobicContact CE1-CZ 3.79Å; F618-F620 HydrophobicContact CE2-CE2 4.32Å; F618-F620 AromaticContact CE2-CZ 3.68Å; F618-F620 HydrophobicContact CE2-CZ 3.68Å; F618-F620 AromaticContact CG-CE2 3.8Å; F618-F620 HydrophobicContact CG-CE2 3.8Å; F618-F620 AromaticContact CG-CZ 3.88Å; F618-F620 HydrophobicContact CG-CZ 3.88Å; F618-F620 HydrophobicContact CZ-CE2 4.08Å; F618-F620 AromaticContact CZ-CZ 3.69Å; F618-F620 HydrophobicContact CZ-CZ 3.69Å; F618-F620 WeakPolarHBondContact O-CD2 3.09Å; F618-F620 WeakPolarHBondContact O-CE2 3.15Å | ||
| 621 | I | 25 | Very low | 27.1 | Very low | 119 Ų | 119 | 83.8 Ų | 83.8 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | trans | -128.2 | 134.1 | 155.4 | -59.5 | -177.8 | 0 | 0 | 0 | 105.9 | G619 | G619-I621 PolarHBondContact O-N 3.03Š| ||
| 622 | D | 24.1 | Very low | 27 | Very low | 148 Ų | 148 | 88.3 Ų | 88.3 | 79% | 0.791 | 49% | 0.491 | S | S | * | . | trans | -84.3 | 119.7 | -165.3 | -55.2 | -80.5 | 0 | 0 | 0 | 111.6 | D624 | D622-D624 PolarHBondContact O-N 3.42Š| ||
| 623 | N | 25.8 | Very low | 26.6 | Very low | 122 Ų | 122 | 91.7 Ų | 91.7 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | trans | -84.2 | 93.2 | 177.1 | -80 | 6.1 | 0 | 0 | 0 | 111.2 | ||||
| 624 | D | 26 | Very low | 26.6 | Very low | 143 Ų | 143 | 92.3 Ų | 92.3 | 77% | 0.765 | 52% | 0.517 | S | S | * | . | trans | -118 | 154.3 | 147.7 | -87.3 | -44.6 | 0 | 0 | 0 | 108 | D622 | D622-D624 PolarHBondContact O-N 3.42Š| ||
| 625 | S | 30.8 | Very low | 26.6 | Very low | 111 Ų | 111 | 95.3 Ų | 95.3 | 78% | 0.776 | 52% | 0.523 | S | S | * | . | trans | 71.1 | 63.3 | -176.5 | -164.8 | 0 | 0 | 0 | 0 | 116.7 | N627 | S625-N627 PolarHBondContact O-N 3.24Š| ||
| 626 | E | 28.4 | Very low | 27 | Very low | 123 Ų | 123 | 92.8 Ų | 92.8 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | trans | -41.8 | 101.8 | 142 | -77.3 | 171.3 | 150.8 | 0 | 0 | 111.4 | N198 | N198-E626 HydrophobicContact CB-CB 4.17Å; N198-E626 HydrophobicContact CB-CG 4.15Å; N198-E626 VanDerWaalsContact CG-CB 3.47Å; N198-E626 WeakPolarHBondContact OD1-CA 3.3Å; N198-E626 VanDerWaalsContact OD1-CB 3.3Å; N198-E626 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 627 | N | 27.3 | Very low | 27.3 | Very low | 117 Ų | 117 | 93.1 Ų | 93.1 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | trans | 170.5 | 85.5 | 147.9 | -83.8 | -28.8 | 0 | 0 | 0 | 113 | N198 S625 | N198-N627 PolarHBondContact ND2-OD1 3.42Å; N198-N627 VanDerWaalsContact OD1-CA 3.28Å; N198-N627 WeakPolarHBondContact OD1-CA 3.37Å; N198-N627 PolarHBondContact OD1-N 2.75Å; S625-N627 PolarHBondContact O-N 3.24Å | ||
| 628 | S | 29.1 | Very low | 27.8 | Very low | 97 Ų | 97 | 93 Ų | 93 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | trans | -145.1 | 121.4 | 149.2 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | D197 | D197-S628 WeakPolarHBondContact CA-O 3.08Å; D197-S628 VanDerWaalsContact CB-C 3.48Å; D197-S628 WeakPolarHBondContact OD2-CA 3.21Å; D197-S628 PolarHBondContact OD2-N 3.26Å | ||
| 629 | V | 24.6 | Very low | 28.9 | Very low | 91 Ų | 91 | 86.8 Ų | 86.8 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | trans | -39.4 | 142 | -171.5 | -177.9 | 0 | 0 | 0 | 0 | 115.3 | D197 S631 | D197-V629 WeakPolarHBondContact OD1-CA 3.42Å; D197-V629 VanDerWaalsContact OD1-CG2 3.31Å; D197-V629 WeakPolarHBondContact OD1-CG2 3.37Å; D197-V629 PolarHBondContact OD1-N 2.79Å; D197-V629 PolarHBondContact OD2-N 2.95Å; V629-S631 PolarHBondContact O-N 3.36Å | ||
| 630 | P | 25 | Very low | 30.8 | Very low | 19 Ų | 19 | 85.8 Ų | 85.8 | 12% | 0.123 | 47% | 0.472 | C | S | . | . | trans | -62.2 | 106 | -173.8 | -23.6 | 37.3 | 0 | 0 | 0 | 113 | S196 I199 I632 | S196-P630 VanDerWaalsContact C-CD 3.41Å; S196-P630 WeakPolarHBondContact O-CG 3.01Å; I199-P630 HydrophobicContact CD1-CB 4.01Å; I199-P630 HydrophobicContact CD1-CG 4.16Å; I199-P630 HydrophobicContact CG1-CG 4.32Å; P630-I632 PolarHBondContact O-N 3.19Å | ||
| 631 | S | 25.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 85.2 Ų | 85.2 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | trans | -59 | 113.2 | 171.7 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | V629 Q633 | V629-S631 PolarHBondContact O-N 3.36Å; S631-Q633 PolarHBondContact O-N 3.33Å | ||
| 632 | I | 23.7 | Very low | 36.2 | Very low | 152 Ų | 152 | 80.7 Ų | 80.7 | 78% | 0.779 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.3 | 119.1 | -175.7 | -66.6 | 167 | 0 | 0 | 0 | 113.1 | P630 G634 | P630-I632 PolarHBondContact O-N 3.19Å; I632-G634 PolarHBondContact O-N 3.05Å |
| 633 | Q | 23.6 | Very low | 39.3 | Very low | 174 Ų | 174 | 73.6 Ų | 73.6 | 81% | 0.813 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 58.7 | 146.7 | -150.7 | 168.5 | 21.1 | 0 | 0 | 117 | S631 | S631-Q633 PolarHBondContact O-N 3.33Š|
| 634 | G | 26.8 | Very low | 42.5 | Very low | 28 Ų | 28 | 67.8 Ų | 67.8 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | trans | 89.2 | 73.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R174 I632 | R174-G634 PolarHBondContact NE-O 3.09Å; R174-G634 PolarHBondContact NH2-O 3.33Å; I632-G634 PolarHBondContact O-N 3.05Å | ||
| 635 | Q | 28.3 | Very low | 45.2 | Very low | 137 Ų | 137 | 61 Ų | 61 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | trans | -57.5 | 156.8 | 134.8 | -79.9 | -164.6 | 3.4 | 0 | 0 | 109.8 | R177 | R177-Q635 VanDerWaalsContact CD-O 3.25Å; R177-Q635 WeakPolarHBondContact CD-O 3.39Å; R177-Q635 PolarHBondContact NE-O 3.17Å; R177-Q635 PolarHBondContact NH1-O 2.78Å | ||
| 636 | V | 34.7 | Very low | 48.1 | Very low | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | trans | -154.8 | 156 | -171.5 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | T170 S173 R174 L206 L638 | T170-V636 HydrophobicContact CG2-CB 3.5Å; T170-V636 VanDerWaalsContact CG2-CB 3.5Å; T170-V636 HydrophobicContact CG2-CG1 4.05Å; T170-V636 HydrophobicContact CG2-CG2 3.94Å; T170-V636 VanDerWaalsContact O-CG1 3.26Å; T170-V636 WeakPolarHBondContact O-CG1 3.42Å; T170-V636 WeakPolarHBondContact OG1-CB 3.19Å; T170-V636 VanDerWaalsContact OG1-CG1 3.3Å; T170-V636 WeakPolarHBondContact OG1-CG1 3.04Å; T170-V636 PolarHBondContact OG1-O 2.68Å; T170-V636 VanDerWaalsContact OG1-O 3.12Å; S173-V636 WeakPolarHBondContact O-CG1 3.47Å; S173-V636 WeakPolarHBondContact OG-CG1 3.5Å; R174-V636 VanDerWaalsContact CA-CG2 3.41Å; R174-V636 HydrophobicContact CB-CG2 3.5Å; R174-V636 HydrophobicContact CG-CG2 3.44Å; R174-V636 VanDerWaalsContact CG-CG2 3.44Å; L206-V636 WeakPolarHBondContact CD2-O 2.93Å; V636-L638 HydrophobicContact CG1-CD2 4.29Å | ||
| 637 | E | 34.6 | Very low | 50.7 | Low | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | trans | -115.7 | 125.4 | -168.2 | -77.4 | 160 | 169.4 | 0 | 0 | 114.7 | F106 S173 R177 A203 V204 S205 L206 | F106-E637 WeakPolarHBondContact CE1-O 3.4Å; S173-E637 WeakPolarHBondContact CB-O 3.48Å; S173-E637 PolarHBondContact OG-N 2.99Å; S173-E637 PolarHBondContact OG-O 2.6Å; R177-E637 IonicContact CZ-OE1 3.24Å; R177-E637 IonicContact CZ-OE2 3.39Å; R177-E637 VanDerWaalsContact CZ-OE2 3.3Å; R177-E637 VanDerWaalsContact NE-CD 3.31Å; R177-E637 IonicContact NE-OE1 3.16Å; R177-E637 IonicContact NE-OE2 2.74Å; R177-E637 PolarHBondContact NE-OE2 2.92Å; R177-E637 VanDerWaalsContact NH2-CG 3.3Å; R177-E637 IonicContact NH2-OE1 2.72Å; R177-E637 PolarHBondContact NH2-OE1 2.94Å; R177-E637 IonicContact NH2-OE2 2.86Å; R177-E637 PolarHBondContact NH2-OE2 2.88Å; A203-E637 WeakPolarHBondContact CA-OE1 3.49Å; A203-E637 WeakPolarHBondContact CB-OE1 3.37Å; V204-E637 PolarHBondContact N-OE1 3.31Å; S205-E637 WeakPolarHBondContact O-CB 2.99Å; S205-E637 VanDerWaalsContact O-CD 3.22Å; S205-E637 WeakPolarHBondContact O-CG 3.18Å; L206-E637 HydrophobicContact CD2-CG 4.03Å; L206-E637 CarbonylContact O-C 3.38Å; L206-E637 WeakPolarHBondContact O-CA 3.18Å; L206-E637 VanDerWaalsContact O-CB 3.25Å; L206-E637 WeakPolarHBondContact O-CB 3.25Å | ||
| 638 | L | 41.9 | Very low | 53.3 | Low | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -113.5 | 110.3 | -175.1 | -28.2 | 179.3 | 0 | 0 | 0 | 112.2 | Y107 F166 Y169 T170 L206 V636 R640 L748 | Y107-L638 HydrophobicContact CE1-CB 3.43Å; Y107-L638 VanDerWaalsContact CE1-CB 3.43Å; Y107-L638 WeakPolarHBondContact CE1-O 3.32Å; Y107-L638 WeakPolarHBondContact OH-CB 3.41Å; Y107-L638 PolarHBondContact OH-O 3.11Å; F166-L638 HydrophobicContact CD1-CB 4.24Å; F166-L638 HydrophobicContact CD1-CD1 3.23Å; F166-L638 HydrophobicContact CD1-CG 4.31Å; F166-L638 HydrophobicContact CE1-CD1 3.89Å; Y169-L638 VanDerWaalsContact CB-CD2 3.49Å; Y169-L638 HydrophobicContact CD2-CB 3.98Å; Y169-L638 HydrophobicContact CG-CB 4.39Å; Y169-L638 WeakPolarHBondContact O-CD2 3.29Å; T170-L638 WeakPolarHBondContact OG1-CD2 3.45Å; T170-L638 WeakPolarHBondContact OG1-CG 3.44Å; L206-L638 CarbonylContact C-O 3.6Å; L206-L638 WeakPolarHBondContact CA-O 3.46Å; L206-L638 VanDerWaalsContact CB-C 3.47Å; L206-L638 HydrophobicContact CB-CB 3.78Å; L206-L638 HydrophobicContact CB-CG 4.12Å; L206-L638 WeakPolarHBondContact CB-O 3.4Å; L206-L638 HydrophobicContact CD1-CB 4.36Å; L206-L638 HydrophobicContact CD1-CD1 4.13Å; L206-L638 HydrophobicContact CD1-CG 4.16Å; L206-L638 HydrophobicContact CD2-CG 4.24Å; L206-L638 HydrophobicContact CG-CG 4.4Å; L206-L638 CarbonylContact O-C 3.56Å; L206-L638 WeakPolarHBondContact O-CA 3.24Å; L206-L638 PolarHBondContact O-N 2.9Å; V636-L638 HydrophobicContact CG1-CD2 4.29Å; L638-R640 PolarHBondContact O-N 2.95Å; L638-L748 HydrophobicContact CD1-CB 3.6Å | ||
| 639 | N | 51.6 | Low | 55.8 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -71.3 | 61.3 | -168.1 | -18.7 | -23.1 | 0 | 0 | 0 | 117.6 | M103 F106 Y107 T133 L206 D207 | M103-N639 WeakPolarHBondContact CA-ND2 3.38Å; M103-N639 WeakPolarHBondContact CB-ND2 3.4Å; M103-N639 PolarHBondContact O-ND2 3.13Å; F106-N639 WeakPolarHBondContact CA-ND2 3.41Å; F106-N639 HydrophobicContact CB-CB 3.48Å; F106-N639 VanDerWaalsContact CB-CB 3.48Å; F106-N639 WeakPolarHBondContact CB-ND2 3.44Å; F106-N639 VanDerWaalsContact CD1-OD1 3.29Å; F106-N639 WeakPolarHBondContact CD1-OD1 3.21Å; F106-N639 WeakPolarHBondContact CD2-ND2 3.29Å; F106-N639 HydrophobicContact CG-CB 4.1Å; F106-N639 WeakPolarHBondContact CG-ND2 3.37Å; F106-N639 WeakPolarHBondContact CG-OD1 3.36Å; F106-N639 PolarHBondContact N-ND2 2.97Å; Y107-N639 VanDerWaalsContact CE1-N 3.34Å; T133-N639 PolarHBondContact OG1-O 2.84Å; L206-N639 PolarHBondContact O-N 3.16Å; L206-N639 PolarHBondContact O-OD1 2.9Å; D207-N639 VanDerWaalsContact CA-CA 3.5Å; D207-N639 HydrophobicContact CB-CB 3.44Å; D207-N639 VanDerWaalsContact CB-CB 3.44Å; D207-N639 VanDerWaalsContact CG-CB 3.41Å; D207-N639 WeakPolarHBondContact OD1-CA 3.39Å; D207-N639 VanDerWaalsContact OD2-CA 3.3Å; D207-N639 WeakPolarHBondContact OD2-CA 3.4Å; D207-N639 VanDerWaalsContact OD2-CB 3.27Å; D207-N639 WeakPolarHBondContact OD2-CB 3.21Å |
| 640 | R | 65.8 | Low | 58.6 | Low | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | trans | 168.4 | 66.5 | 167.8 | 173.6 | -122.3 | -160.2 | 113.8 | -15.2 | 112.4 | Y107 V125 S132 T133 D207 L638 S642 M643 | Y107-R640 HydrophobicContact CD1-CB 4.22Å; Y107-R640 HydrophobicContact CD2-CB 3.75Å; Y107-R640 HydrophobicContact CD2-CG 4.09Å; Y107-R640 HydrophobicContact CE1-CB 4.01Å; Y107-R640 HydrophobicContact CE2-CB 3.5Å; Y107-R640 HydrophobicContact CE2-CG 3.86Å; Y107-R640 WeakPolarHBondContact CE2-O 3.49Å; Y107-R640 HydrophobicContact CG-CB 4.06Å; Y107-R640 PolarHBondContact OH-O 2.87Å; V125-R640 VanDerWaalsContact C-NH1 3.31Å; V125-R640 PolarHBondContact O-NH1 2.8Å; V125-R640 PolarHBondContact O-NH2 3.38Å; S132-R640 VanDerWaalsContact O-CG 3.32Å; S132-R640 WeakPolarHBondContact O-CG 3.5Å; S132-R640 PolarHBondContact OG-NE 2.87Å; S132-R640 PolarHBondContact OG-NH2 3.15Å; T133-R640 VanDerWaalsContact C-NH1 3.3Å; T133-R640 VanDerWaalsContact CA-NH1 3.35Å; T133-R640 HydrophobicContact CG2-CB 4.31Å; T133-R640 PolarHBondContact O-NH1 2.96Å; D207-R640 PolarHBondContact OD1-N 2.87Å; L638-R640 PolarHBondContact O-N 2.95Å; R640-S642 WeakPolarHBondContact CD-O 3.44Å; R640-S642 PolarHBondContact NE-O 2.77Å; R640-S642 PolarHBondContact O-N 3.28Å; R640-M643 VanDerWaalsContact CD-CG 3.45Å; R640-M643 VanDerWaalsContact NE-CG 3.3Å | ||
| 641 | K | 72.4 | Confident | 61.7 | Low | 88 Ų | 88 | 50.6 Ų | 50.6 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 16.7 | -40.7 | 141 | -34.1 | -171.2 | -164.8 | -167.6 | 0 | 121.8 | Y107 S205 D207 E208 | Y107-K641 PolarHBondContact OH-N 3.08Å; S205-K641 WeakPolarHBondContact OG-CD 3.38Å; S205-K641 WeakPolarHBondContact OG-CE 3.47Å; S205-K641 PolarHBondContact OG-NZ 2.98Å; D207-K641 WeakPolarHBondContact OD1-CE 3.4Å; D207-K641 WeakPolarHBondContact OD1-CG 3.32Å; D207-K641 IonicContact OD1-NZ 2.88Å; E208-K641 IonicContact OE1-NZ 2.94Å; E208-K641 PolarHBondContact OE1-NZ 3.02Å; E208-K641 IonicContact OE2-NZ 2.72Å; E208-K641 PolarHBondContact OE2-NZ 2.74Å |
| 642 | S | 90.3 | Very high | 64.9 | Low | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 158 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 114 | S132 R640 M745 S746 | S132-S642 WeakPolarHBondContact CB-O 3.08Å; S132-S642 PolarHBondContact OG-O 3.27Å; R640-S642 WeakPolarHBondContact CD-O 3.44Å; R640-S642 PolarHBondContact NE-O 2.77Å; R640-S642 PolarHBondContact O-N 3.28Å; S642-M745 CarbonylContact C-O 3.31Å; S642-M745 WeakPolarHBondContact CA-O 3.35Å; S642-S746 WeakPolarHBondContact CA-OG 3.15Å; S642-S746 WeakPolarHBondContact CB-OG 3.22Å |
| 643 | M | 89.2 | Confident | 68.2 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 136.4 | -165.1 | -77.2 | -143 | 84.3 | 0 | 0 | 116 | Y107 V125 C164 F166 R640 R744 M745 L748 | Y107-M643 HydrophobicContact CD2-CE 4.09Å; Y107-M643 HydrophobicContact CD2-CG 4.33Å; Y107-M643 HydrophobicContact CD2-SD 3.33Å; Y107-M643 WeakPolarHBondContact CD2-SD 3.27Å; Y107-M643 HydrophobicContact CE2-CG 3.9Å; Y107-M643 HydrophobicContact CE2-SD 3.32Å; Y107-M643 WeakPolarHBondContact CE2-SD 3.18Å; V125-M643 HydrophobicContact CB-CE 4.39Å; V125-M643 HydrophobicContact CG1-CE 3.26Å; V125-M643 HydrophobicContact CG1-SD 4.13Å; C164-M643 WeakPolarHBondContact CA-SD 3.28Å; C164-M643 HydrophobicContact CB-CB 3.76Å; C164-M643 HydrophobicContact CB-CE 3.18Å; C164-M643 HydrophobicContact CB-CG 4.03Å; C164-M643 HydrophobicContact CB-SD 3.16Å; C164-M643 WeakPolarHBondContact CB-SD 3.44Å; C164-M643 VanDerWaalsContact SG-CB 3.55Å; C164-M643 WeakPolarHBondContact SG-CE 3.14Å; F166-M643 HydrophobicContact CD2-CB 4.5Å; F166-M643 HydrophobicContact CE2-CB 4.07Å; F166-M643 HydrophobicContact CE2-CG 4.28Å; R640-M643 VanDerWaalsContact CD-CG 3.45Å; R640-M643 VanDerWaalsContact NE-CG 3.3Å; M643-R744 CarbonylContact O-C 3.56Å; M643-R744 WeakPolarHBondContact O-CA 3.31Å; M643-M745 PolarHBondContact N-O 3.3Å; M643-M745 PolarHBondContact O-N 2.86Å; M643-L748 HydrophobicContact CB-CD1 3.96Å; M643-L748 HydrophobicContact CG-CD1 3.35Å; M643-L748 HydrophobicContact SD-CD1 3.5Å; M643-L748 VanDerWaalsContact SD-CD1 3.5Å |
| 644 | S | 92.5 | Very high | 71.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 143.8 | -146.3 | 28 | 0 | 0 | 0 | 0 | 123.2 | S127 S129 M130 L743 | S127-S644 CarbonylContact C-O 3.54Å; S127-S644 WeakPolarHBondContact CA-O 3.29Å; S127-S644 WeakPolarHBondContact CB-O 3.2Å; S127-S644 PolarHBondContact N-O 2.97Å; S127-S644 VanDerWaalsContact O-O 3.05Å; S127-S644 VanDerWaalsContact OG-CA 3.28Å; S127-S644 WeakPolarHBondContact OG-CA 3.31Å; S127-S644 PolarHBondContact OG-N 2.97Å; S127-S644 VanDerWaalsContact OG-N 3.07Å; S127-S644 PolarHBondContact OG-O 3.38Å; S129-S644 WeakPolarHBondContact CA-O 3.37Å; S129-S644 WeakPolarHBondContact CB-O 3.32Å; S129-S644 PolarHBondContact N-O 3.3Å; M130-S644 WeakPolarHBondContact CB-OG 3.35Å; M130-S644 WeakPolarHBondContact CG-OG 3.41Å; M130-S644 PolarHBondContact N-O 3.36Å; M130-S644 PolarHBondContact O-OG 3.24Å; S644-L743 CarbonylContact C-O 2.8Å; S644-L743 VanDerWaalsContact C-O 3.3Å; S644-L743 WeakPolarHBondContact CA-O 3.34Å; S644-L743 WeakPolarHBondContact CB-O 3.26Å |
| 645 | V | 83.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.2 | -173 | -137.1 | 0 | 0 | 0 | 0 | 117.7 | N128 S129 L665 M668 L669 G742 L743 | N128-V645 HydrophobicContact CB-CG1 3.92Å; N128-V645 VanDerWaalsContact N-CG1 3.28Å; S129-V645 VanDerWaalsContact CB-N 3.28Å; S129-V645 VanDerWaalsContact N-C 3.31Å; S129-V645 VanDerWaalsContact OG-CA 3.29Å; S129-V645 WeakPolarHBondContact OG-CA 3.45Å; S129-V645 PolarHBondContact OG-N 2.71Å; S129-V645 PolarHBondContact OG-O 3.02Å; V645-L665 HydrophobicContact CB-CB 4.3Å; V645-L665 HydrophobicContact CB-CD2 3.99Å; V645-L665 HydrophobicContact CG1-CD2 3.89Å; V645-L665 WeakPolarHBondContact CG2-O 3.36Å; V645-L665 WeakPolarHBondContact O-CD2 3.48Å; V645-M668 HydrophobicContact CG1-CB 3.65Å; V645-M668 HydrophobicContact CG1-CE 3.58Å; V645-M668 HydrophobicContact CG1-SD 4.24Å; V645-L669 HydrophobicContact CG2-CB 3.27Å; V645-L669 HydrophobicContact CG2-CD1 3.5Å; V645-L669 HydrophobicContact CG2-CD2 4.05Å; V645-L669 HydrophobicContact CG2-CG 3.72Å; V645-G742 CarbonylContact O-C 3.5Å; V645-G742 WeakPolarHBondContact O-CA 3.23Å; V645-L743 PolarHBondContact N-O 2.77Å; V645-L743 PolarHBondContact O-N 2.72Å |
| 646 | E | 91.5 | Very high | 78 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 165 | 177.7 | 92.7 | -154.6 | -170.9 | 0 | 0 | 111.9 | N128 S129 P148 F150 K686 L740 M741 | N128-E646 CarbonylContact C-O 3.39Å; N128-E646 VanDerWaalsContact C-O 3.32Å; N128-E646 WeakPolarHBondContact CB-O 3.19Å; N128-E646 CarbonylContact O-C 3.58Å; N128-E646 PolarHBondContact O-N 3.44Å; S129-E646 VanDerWaalsContact CA-CB 3.41Å; S129-E646 VanDerWaalsContact CA-CG 3.41Å; S129-E646 WeakPolarHBondContact CB-OE2 3.42Å; S129-E646 WeakPolarHBondContact OG-CB 2.24Å; S129-E646 PolarHBondContact OG-N 3.17Å; S129-E646 PolarHBondContact OG-OE2 2.79Å; P148-E646 HydrophobicContact CB-CG 4.19Å; P148-E646 WeakPolarHBondContact CB-OE1 3.1Å; F150-E646 HydrophobicContact CD1-CG 3.77Å; F150-E646 HydrophobicContact CE1-CG 3.67Å; E646-K686 IonicContact OE1-NZ 2.79Å; E646-K686 PolarHBondContact OE1-NZ 3.35Å; E646-K686 WeakPolarHBondContact OE2-CD 3.42Å; E646-K686 WeakPolarHBondContact OE2-CE 3.13Å; E646-K686 IonicContact OE2-NZ 2.74Å; E646-K686 PolarHBondContact OE2-NZ 3.26Å; E646-L740 HydrophobicContact CB-CD2 4.28Å; E646-L740 HydrophobicContact CB-CG 4.42Å; E646-L740 HydrophobicContact CG-CD1 4.16Å; E646-L740 HydrophobicContact CG-CD2 3.95Å; E646-L740 HydrophobicContact CG-CG 3.83Å; E646-L740 WeakPolarHBondContact OE1-CD1 3.26Å; E646-M741 WeakPolarHBondContact CA-O 3.31Å; E646-M741 WeakPolarHBondContact CB-O 3.45Å |
| 647 | R | 83.6 | Confident | 80.9 | Confident | 82 Ų | 82 | 41.7 Ų | 41.7 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.5 | 167 | -64.7 | -63.3 | -174.4 | -164.2 | 3.7 | 108.1 | N128 F649 L665 L740 M741 | N128-R647 VanDerWaalsContact CG-NH1 3.3Å; N128-R647 PolarHBondContact OD1-NH1 3.16Å; R647-F649 HydrophobicContact CB-CD1 4.02Å; R647-F649 VanDerWaalsContact O-CD1 3.25Å; R647-F649 WeakPolarHBondContact O-CD1 3.46Å; R647-F649 VanDerWaalsContact O-CE1 3.31Å; R647-F649 WeakPolarHBondContact O-CE1 3.44Å; R647-L665 HydrophobicContact CG-CD2 4.13Å; R647-L740 WeakPolarHBondContact O-CA 3.21Å; R647-L740 WeakPolarHBondContact O-CB 3.32Å; R647-M741 PolarHBondContact N-O 2.74Å |
| 648 | T | 81.7 | Confident | 83.8 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.5 | 150.3 | -78.5 | 0 | 0 | 0 | 0 | 108.3 | F150 R739 | F150-T648 VanDerWaalsContact CZ-CB 3.46Å; F150-T648 WeakPolarHBondContact CZ-OG1 3.37Å; T648-R739 WeakPolarHBondContact CA-O 3.32Å |
| 649 | F | 81.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 173.5 | 174.7 | 36.4 | -93.7 | 0 | 0 | 0 | 109 | R647 T652 L658 L738 R739 M741 | R647-F649 HydrophobicContact CB-CD1 4.02Å; R647-F649 VanDerWaalsContact O-CD1 3.25Å; R647-F649 WeakPolarHBondContact O-CD1 3.46Å; R647-F649 VanDerWaalsContact O-CE1 3.31Å; R647-F649 WeakPolarHBondContact O-CE1 3.44Å; F649-T652 HydrophobicContact CD2-CG2 3.85Å; F649-T652 HydrophobicContact CE2-CG2 3.82Å; F649-L658 HydrophobicContact CE2-CD2 3.99Å; F649-L658 HydrophobicContact CZ-CD2 4.12Å; F649-L738 HydrophobicContact CE2-CB 4.1Å; F649-L738 WeakPolarHBondContact CE2-O 3.35Å; F649-L738 HydrophobicContact CZ-CB 4.32Å; F649-R739 PolarHBondContact N-O 3.1Å; F649-R739 VanDerWaalsContact O-O 3.11Å; F649-M741 HydrophobicContact CE1-CB 3.99Å; F649-M741 VanDerWaalsContact CE1-N 3.34Å; F649-M741 HydrophobicContact CZ-CB 3.75Å |
| 650 | S | 83.4 | Confident | 88.6 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 146.7 | 168.8 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | T652 | S650-T652 PolarHBondContact O-N 3.13Å; S650-T652 VanDerWaalsContact O-N 3.1Å |
| 651 | D | 89.8 | Confident | 90 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 32% | 0.316 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 116.4 | -179.6 | -55.4 | 11.9 | 0 | 0 | 0 | 109.9 | K43 D690 T737 R739 | K43-D651 IonicContact NZ-OD2 2.65Å; K43-D651 PolarHBondContact NZ-OD2 3.38Å; D651-D690 HydrophobicContact CB-CB 4.08Å; D651-D690 WeakPolarHBondContact OD2-CB 3.46Å; D651-T737 HydrophobicContact CB-CG2 4.29Å; D651-R739 VanDerWaalsContact CG-NH1 3.27Å; D651-R739 IonicContact OD1-CZ 3.58Å; D651-R739 IonicContact OD1-NE 2.76Å; D651-R739 IonicContact OD1-NH1 3.95Å; D651-R739 PolarHBondContact OD1-NH1 3.44Å; D651-R739 IonicContact OD1-NH2 2.76Å; D651-R739 PolarHBondContact OD1-NH2 2.94Å; D651-R739 IonicContact OD2-CZ 3.3Å; D651-R739 IonicContact OD2-NH1 3.73Å; D651-R739 PolarHBondContact OD2-NH1 2.72Å; D651-R739 IonicContact OD2-NH2 3.27Å |
| 652 | T | 92.7 | Very high | 91.2 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.1 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 112 | F649 S650 D654 E657 L658 T737 L738 | F649-T652 HydrophobicContact CD2-CG2 3.85Å; F649-T652 HydrophobicContact CE2-CG2 3.82Å; S650-T652 PolarHBondContact O-N 3.13Å; S650-T652 VanDerWaalsContact O-N 3.1Å; T652-D654 PolarHBondContact OG1-N 3.46Å; T652-E657 HydrophobicContact CG2-CG 4.11Å; T652-L658 HydrophobicContact CG2-CD2 3.82Å; T652-L658 HydrophobicContact CG2-CG 4.3Å; T652-T737 CarbonylContact O-C 3.04Å; T652-T737 WeakPolarHBondContact O-CA 3.4Å; T652-L738 PolarHBondContact N-O 3.27Å; T652-L738 PolarHBondContact O-N 3.35Å |
| 653 | S | 93.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | trans | -127.5 | 13.4 | 173.9 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | E655 | S653-E655 PolarHBondContact O-N 3.45Š| ||
| 654 | D | 94.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | trans | -72.7 | 119.5 | 172.7 | 170.4 | 11.4 | 0 | 0 | 0 | 109.4 | T652 N656 E657 L658 | T652-D654 PolarHBondContact OG1-N 3.46Å; D654-N656 VanDerWaalsContact C-N 3.29Å; D654-N656 PolarHBondContact O-N 3.35Å; D654-N656 WeakPolarHBondContact OD1-CB 3.33Å; D654-N656 PolarHBondContact OD1-N 3.01Å; D654-N656 PolarHBondContact OD1-ND2 2.81Å; D654-E657 HydrophobicContact CB-CB 3.89Å; D654-E657 PolarHBondContact O-N 2.73Å; D654-E657 WeakPolarHBondContact OD2-CB 3.5Å; D654-L658 WeakPolarHBondContact O-CB 3.32Å; D654-L658 WeakPolarHBondContact O-CG 3.26Å; D654-L658 PolarHBondContact O-N 3.31Å | ||
| 655 | E | 93.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.3 | -31.3 | -176.3 | -63.2 | 178.8 | -157.9 | 0 | 0 | 111.6 | S653 M659 M723 K727 | S653-E655 PolarHBondContact O-N 3.45Å; E655-M659 VanDerWaalsContact O-CB 3.26Å; E655-M659 WeakPolarHBondContact O-CB 3.34Å; E655-M659 WeakPolarHBondContact O-CG 3.33Å; E655-M659 PolarHBondContact O-N 2.66Å; E655-M723 HydrophobicContact CB-CE 4.02Å; E655-M723 HydrophobicContact CB-SD 4.27Å; E655-M723 HydrophobicContact CG-CE 3.86Å; E655-M723 HydrophobicContact CG-SD 3.93Å; E655-K727 WeakPolarHBondContact OE1-CE 3.19Å; E655-K727 IonicContact OE1-NZ 2.64Å; E655-K727 PolarHBondContact OE1-NZ 3.25Å; E655-K727 IonicContact OE2-NZ 3.03Å; E655-K727 PolarHBondContact OE2-NZ 2.98Å |
| 656 | N | 95.4 | Very high | 92.6 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 68% | 0.679 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -72.1 | -49.2 | 177.9 | -58.8 | -66.5 | 0 | 0 | 0 | 111.3 | D654 L658 M659 H660 | D654-N656 VanDerWaalsContact C-N 3.29Å; D654-N656 PolarHBondContact O-N 3.35Å; D654-N656 WeakPolarHBondContact OD1-CB 3.33Å; D654-N656 PolarHBondContact OD1-N 3.01Å; D654-N656 PolarHBondContact OD1-ND2 2.81Å; N656-L658 VanDerWaalsContact C-N 3.29Å; N656-L658 PolarHBondContact O-N 3.02Å; N656-M659 PolarHBondContact O-N 3.16Å; N656-H660 WeakPolarHBondContact O-CB 3.43Å; N656-H660 PolarHBondContact O-N 2.92Å |
| 657 | E | 95.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 173.4 | 170.7 | 69.7 | 163.5 | 0 | 0 | 111.4 | T652 D654 R661 | T652-E657 HydrophobicContact CG2-CG 4.11Å; D654-E657 HydrophobicContact CB-CB 3.89Å; D654-E657 PolarHBondContact O-N 2.73Å; D654-E657 WeakPolarHBondContact OD2-CB 3.5Å; E657-R661 VanDerWaalsContact CD-NE 3.26Å; E657-R661 VanDerWaalsContact O-CB 3.24Å; E657-R661 WeakPolarHBondContact O-CB 3.11Å; E657-R661 WeakPolarHBondContact O-CG 3Å; E657-R661 PolarHBondContact O-N 2.72Å; E657-R661 IonicContact OE1-CZ 2.8Å; E657-R661 IonicContact OE1-NE 3.13Å; E657-R661 PolarHBondContact OE1-NE 3.35Å; E657-R661 IonicContact OE1-NH2 3.22Å; E657-R661 PolarHBondContact OE1-NH2 2.79Å; E657-R661 IonicContact OE2-NE 2.73Å |
| 658 | L | 96.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.7 | -70 | 176.1 | 0 | 0 | 0 | 112.3 | F649 T652 D654 N656 R661 C662 L719 M723 L738 M741 | F649-L658 HydrophobicContact CE2-CD2 3.99Å; F649-L658 HydrophobicContact CZ-CD2 4.12Å; T652-L658 HydrophobicContact CG2-CD2 3.82Å; T652-L658 HydrophobicContact CG2-CG 4.3Å; D654-L658 WeakPolarHBondContact O-CB 3.32Å; D654-L658 WeakPolarHBondContact O-CG 3.26Å; D654-L658 PolarHBondContact O-N 3.31Å; N656-L658 VanDerWaalsContact C-N 3.29Å; N656-L658 PolarHBondContact O-N 3.02Å; L658-R661 PolarHBondContact O-N 3.06Å; L658-C662 WeakPolarHBondContact O-CB 3.29Å; L658-C662 PolarHBondContact O-N 3.33Å; L658-L719 HydrophobicContact CB-CD2 4.27Å; L658-M723 HydrophobicContact CB-CE 3.77Å; L658-M723 HydrophobicContact CD1-CE 3.79Å; L658-M723 HydrophobicContact CG-CE 4.45Å; L658-L738 HydrophobicContact CD2-CB 4.04Å; L658-L738 HydrophobicContact CD2-CD1 4.15Å; L658-L738 HydrophobicContact CD2-CG 4.38Å; L658-M741 HydrophobicContact CB-CE 3.86Å; L658-M741 HydrophobicContact CD2-CE 3.76Å; L658-M741 HydrophobicContact CG-CE 4.37Å; L658-M741 VanDerWaalsContact O-CE 3.3Å; L658-M741 WeakPolarHBondContact O-CE 3.19Å |
| 659 | M | 97.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 175.8 | -73.3 | -72.9 | 172.6 | 0 | 0 | 112.3 | E655 N656 C662 E663 R716 L719 R720 M723 | E655-M659 VanDerWaalsContact O-CB 3.26Å; E655-M659 WeakPolarHBondContact O-CB 3.34Å; E655-M659 WeakPolarHBondContact O-CG 3.33Å; E655-M659 PolarHBondContact O-N 2.66Å; N656-M659 PolarHBondContact O-N 3.16Å; M659-C662 WeakPolarHBondContact O-CB 3.26Å; M659-C662 PolarHBondContact O-N 2.99Å; M659-E663 PolarHBondContact O-N 3.24Å; M659-R716 VanDerWaalsContact C-NH2 3.35Å; M659-R716 PolarHBondContact O-NE 3.49Å; M659-R716 PolarHBondContact O-NH2 3.48Å; M659-R716 HydrophobicContact SD-CB 3.68Å; M659-R716 HydrophobicContact SD-CG 3.54Å; M659-R716 VanDerWaalsContact SD-CG 3.54Å; M659-L719 HydrophobicContact CE-CB 4.36Å; M659-L719 HydrophobicContact CE-CD2 4.06Å; M659-L719 HydrophobicContact CE-CG 4.11Å; M659-L719 HydrophobicContact CG-CD2 4.38Å; M659-L719 HydrophobicContact SD-CD2 3.9Å; M659-R720 HydrophobicContact CE-CB 4.04Å; M659-M723 HydrophobicContact CE-CE 4.38Å; M659-M723 HydrophobicContact CE-SD 3.87Å |
| 660 | H | 96 | Very high | 94.3 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 174.8 | -175.9 | 56.6 | 0 | 0 | 0 | 111.4 | N656 C662 E663 Q664 | N656-H660 WeakPolarHBondContact O-CB 3.43Å; N656-H660 PolarHBondContact O-N 2.92Å; H660-C662 VanDerWaalsContact C-N 3.35Å; H660-E663 IonicContact ND1-OE2 3.92Å; H660-E663 PolarHBondContact ND1-OE2 2.65Å; H660-E663 WeakPolarHBondContact O-CB 3.35Å; H660-E663 PolarHBondContact O-N 2.78Å; H660-Q664 PolarHBondContact CD2-NE2 2.84Å; H660-Q664 VanDerWaalsContact CD2-NE2 3.31Å; H660-Q664 PolarHBondContact NE2-NE2 2.95Å; H660-Q664 WeakPolarHBondContact O-CG 3.47Å; H660-Q664 PolarHBondContact O-N 3.46Å |
| 661 | R | 94.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 49 Ų | 49 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 167.9 | -75.6 | 172.8 | -179.2 | -66.3 | -6.5 | 111.5 | E657 L658 E663 Q664 L665 | E657-R661 VanDerWaalsContact CD-NE 3.26Å; E657-R661 VanDerWaalsContact O-CB 3.24Å; E657-R661 WeakPolarHBondContact O-CB 3.11Å; E657-R661 WeakPolarHBondContact O-CG 3Å; E657-R661 PolarHBondContact O-N 2.72Å; E657-R661 IonicContact OE1-CZ 2.8Å; E657-R661 IonicContact OE1-NE 3.13Å; E657-R661 PolarHBondContact OE1-NE 3.35Å; E657-R661 IonicContact OE1-NH2 3.22Å; E657-R661 PolarHBondContact OE1-NH2 2.79Å; E657-R661 IonicContact OE2-NE 2.73Å; L658-R661 PolarHBondContact O-N 3.06Å; R661-E663 PolarHBondContact O-N 3.14Å; R661-Q664 PolarHBondContact O-N 2.9Å; R661-L665 VanDerWaalsContact O-CB 3.3Å; R661-L665 WeakPolarHBondContact O-CB 3.37Å; R661-L665 WeakPolarHBondContact O-CG 3.15Å; R661-L665 PolarHBondContact O-N 3.27Å |
| 662 | C | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.5 | -40.7 | 175.2 | -161 | 0 | 0 | 0 | 0 | 111.6 | L658 M659 H660 L665 A666 G715 R716 L719 M741 L743 | L658-C662 WeakPolarHBondContact O-CB 3.29Å; L658-C662 PolarHBondContact O-N 3.33Å; M659-C662 WeakPolarHBondContact O-CB 3.26Å; M659-C662 PolarHBondContact O-N 2.99Å; H660-C662 VanDerWaalsContact C-N 3.35Å; C662-L665 CarbonylContact O-C 3.57Å; C662-L665 PolarHBondContact O-N 3.38Å; C662-A666 VanDerWaalsContact O-CB 3.29Å; C662-A666 WeakPolarHBondContact O-CB 2.97Å; C662-A666 PolarHBondContact O-N 2.71Å; C662-G715 PolarHBondContact SG-O 3.41Å; C662-R716 HydrophobicContact CB-CG 4.18Å; C662-L719 HydrophobicContact CB-CD2 3.95Å; C662-M741 HydrophobicContact CB-SD 3.77Å; C662-L743 WeakPolarHBondContact O-CD1 3.24Å |
| 663 | E | 97.5 | Very high | 94 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.8 | -43.8 | 176.6 | 170.2 | 170.4 | -95.8 | 0 | 0 | 114 | M659 H660 R661 L665 A666 Q667 N712 R716 | M659-E663 PolarHBondContact O-N 3.24Å; H660-E663 IonicContact ND1-OE2 3.92Å; H660-E663 PolarHBondContact ND1-OE2 2.65Å; H660-E663 WeakPolarHBondContact O-CB 3.35Å; H660-E663 PolarHBondContact O-N 2.78Å; R661-E663 PolarHBondContact O-N 3.14Å; E663-L665 PolarHBondContact O-N 3.04Å; E663-A666 CarbonylContact O-C 3.58Å; E663-A666 PolarHBondContact O-N 3.44Å; E663-Q667 WeakPolarHBondContact O-CB 3.3Å; E663-Q667 PolarHBondContact O-N 2.97Å; E663-N712 WeakPolarHBondContact CA-OD1 3.29Å; E663-N712 WeakPolarHBondContact CB-OD1 3.29Å; E663-N712 PolarHBondContact OE1-ND2 3.03Å; E663-R716 IonicContact OE1-CZ 3.33Å; E663-R716 IonicContact OE1-NH1 2.98Å; E663-R716 PolarHBondContact OE1-NH1 2.79Å; E663-R716 IonicContact OE1-NH2 3.26Å; E663-R716 PolarHBondContact OE1-NH2 3.22Å; E663-R716 VanDerWaalsContact OE1-NH2 3.16Å; E663-R716 IonicContact OE2-CZ 3.75Å; E663-R716 IonicContact OE2-NH1 3.95Å; E663-R716 IonicContact OE2-NH2 3.16Å; E663-R716 PolarHBondContact OE2-NH2 3.34Å |
| 664 | Q | 94.6 | Very high | 93.6 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 169.3 | -73.4 | -179.3 | 4.6 | 0 | 0 | 110.1 | H660 R661 A666 M668 | H660-Q664 PolarHBondContact CD2-NE2 2.84Å; H660-Q664 VanDerWaalsContact CD2-NE2 3.31Å; H660-Q664 PolarHBondContact NE2-NE2 2.95Å; H660-Q664 WeakPolarHBondContact O-CG 3.47Å; H660-Q664 PolarHBondContact O-N 3.46Å; R661-Q664 PolarHBondContact O-N 2.9Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; Q664-M668 WeakPolarHBondContact O-CA 3.43Å; Q664-M668 WeakPolarHBondContact O-CB 3.05Å; Q664-M668 WeakPolarHBondContact O-CG 3.33Å; Q664-M668 PolarHBondContact O-N 3.02Å |
| 665 | L | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -27.7 | 175 | -64.3 | 174.4 | 0 | 0 | 0 | 112 | V645 R647 R661 C662 E663 L669 M741 L743 | V645-L665 HydrophobicContact CB-CB 4.3Å; V645-L665 HydrophobicContact CB-CD2 3.99Å; V645-L665 HydrophobicContact CG1-CD2 3.89Å; V645-L665 WeakPolarHBondContact CG2-O 3.36Å; V645-L665 WeakPolarHBondContact O-CD2 3.48Å; R647-L665 HydrophobicContact CG-CD2 4.13Å; R661-L665 VanDerWaalsContact O-CB 3.3Å; R661-L665 WeakPolarHBondContact O-CB 3.37Å; R661-L665 WeakPolarHBondContact O-CG 3.15Å; R661-L665 PolarHBondContact O-N 3.27Å; C662-L665 CarbonylContact O-C 3.57Å; C662-L665 PolarHBondContact O-N 3.38Å; E663-L665 PolarHBondContact O-N 3.04Å; L665-L669 WeakPolarHBondContact O-CA 3.5Å; L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 PolarHBondContact O-N 3.21Å; L665-M741 HydrophobicContact CD1-CB 4.24Å; L665-M741 HydrophobicContact CD1-CG 4.13Å; L665-M741 WeakPolarHBondContact CD1-O 3.41Å; L665-M741 HydrophobicContact CD1-SD 4.23Å; L665-L743 HydrophobicContact CB-CD1 4.23Å; L665-L743 HydrophobicContact CB-CG 4.43Å |
| 666 | A | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -83.7 | -31 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C662 E663 Q664 L669 S670 I711 N712 L743 | C662-A666 VanDerWaalsContact O-CB 3.29Å; C662-A666 WeakPolarHBondContact O-CB 2.97Å; C662-A666 PolarHBondContact O-N 2.71Å; E663-A666 CarbonylContact O-C 3.58Å; E663-A666 PolarHBondContact O-N 3.44Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; A666-L669 CarbonylContact O-C 3.55Å; A666-L669 PolarHBondContact O-N 3.34Å; A666-S670 WeakPolarHBondContact O-CB 3.42Å; A666-S670 PolarHBondContact O-N 3.37Å; A666-I711 HydrophobicContact CB-CB 4.33Å; A666-I711 HydrophobicContact CB-CG2 3.95Å; A666-N712 HydrophobicContact CB-CB 3.69Å; A666-L743 HydrophobicContact CB-CD1 3.74Å |
| 667 | Q | 93.8 | Very high | 91 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 54% | 0.537 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -77.2 | -45.4 | 170.5 | -174 | -168.4 | 20.2 | 0 | 0 | 110 | E663 L669 S670 T671 T708 | E663-Q667 WeakPolarHBondContact O-CB 3.3Å; E663-Q667 PolarHBondContact O-N 2.97Å; Q667-L669 PolarHBondContact O-N 3.43Å; Q667-S670 CarbonylContact O-C 3.4Å; Q667-S670 PolarHBondContact O-N 3.41Å; Q667-T671 PolarHBondContact O-N 2.73Å; Q667-T671 PolarHBondContact O-OG1 2.85Å; Q667-T708 HydrophobicContact CB-CG2 3.73Å; Q667-T708 HydrophobicContact CG-CG2 4.2Å |
| 668 | M | 91 | Very high | 90.7 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.7 | -34.7 | 164.6 | -74.4 | 179.3 | 64.6 | 0 | 0 | 109.7 | N128 V645 Q664 D672 | N128-M668 HydrophobicContact CB-CE 3.83Å; N128-M668 WeakPolarHBondContact ND2-CE 3.49Å; V645-M668 HydrophobicContact CG1-CB 3.65Å; V645-M668 HydrophobicContact CG1-CE 3.58Å; V645-M668 HydrophobicContact CG1-SD 4.24Å; Q664-M668 WeakPolarHBondContact O-CA 3.43Å; Q664-M668 WeakPolarHBondContact O-CB 3.05Å; Q664-M668 WeakPolarHBondContact O-CG 3.33Å; Q664-M668 PolarHBondContact O-N 3.02Å; M668-D672 WeakPolarHBondContact O-CA 3.44Å; M668-D672 WeakPolarHBondContact O-CB 3.37Å; M668-D672 PolarHBondContact O-N 2.9Å |
| 669 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.7 | -35.4 | 173.6 | -161.7 | 39.6 | 0 | 0 | 0 | 109.3 | S127 V645 L665 A666 Q667 D672 L673 I711 L743 M745 | S127-L669 WeakPolarHBondContact OG-CD1 3.12Å; V645-L669 HydrophobicContact CG2-CB 3.27Å; V645-L669 HydrophobicContact CG2-CD1 3.5Å; V645-L669 HydrophobicContact CG2-CD2 4.05Å; V645-L669 HydrophobicContact CG2-CG 3.72Å; L665-L669 WeakPolarHBondContact O-CA 3.5Å; L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 PolarHBondContact O-N 3.21Å; A666-L669 CarbonylContact O-C 3.55Å; A666-L669 PolarHBondContact O-N 3.34Å; Q667-L669 PolarHBondContact O-N 3.43Å; L669-D672 CarbonylContact O-C 3.3Å; L669-D672 WeakPolarHBondContact O-CA 3.28Å; L669-D672 PolarHBondContact O-N 3.05Å; L669-L673 HydrophobicContact CB-CD1 4.43Å; L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CD1-CD2 4.05Å; L669-L673 HydrophobicContact CD1-CG 3.75Å; L669-L673 HydrophobicContact CG-CD1 3.65Å; L669-L673 HydrophobicContact CG-CD2 4.44Å; L669-L673 HydrophobicContact CG-CG 3.82Å; L669-L673 VanDerWaalsContact O-CA 3.29Å; L669-L673 WeakPolarHBondContact O-CA 3.31Å; L669-L673 WeakPolarHBondContact O-CB 3.29Å; L669-L673 WeakPolarHBondContact O-CD1 3.44Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 2.84Å; L669-I711 HydrophobicContact CB-CG2 4.22Å; L669-I711 HydrophobicContact CD2-CG2 3.91Å; L669-I711 HydrophobicContact CG-CG2 4.28Å; L669-L743 HydrophobicContact CD2-CB 3.72Å; L669-M745 HydrophobicContact CD2-CG 4.1Å |
| 670 | S | 95.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.7 | -43.4 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | A666 Q667 L673 K674 N706 T708 | A666-S670 WeakPolarHBondContact O-CB 3.42Å; A666-S670 PolarHBondContact O-N 3.37Å; Q667-S670 CarbonylContact O-C 3.4Å; Q667-S670 PolarHBondContact O-N 3.41Å; S670-L673 CarbonylContact O-C 3.4Å; S670-L673 VanDerWaalsContact O-CA 3.28Å; S670-L673 WeakPolarHBondContact O-CA 3.45Å; S670-L673 PolarHBondContact O-N 2.9Å; S670-K674 VanDerWaalsContact O-CB 3.28Å; S670-K674 WeakPolarHBondContact O-CB 3.34Å; S670-K674 WeakPolarHBondContact O-CD 3.38Å; S670-K674 WeakPolarHBondContact O-CG 3.41Å; S670-K674 PolarHBondContact O-N 3.49Å; S670-K674 WeakPolarHBondContact OG-CE 3.44Å; S670-K674 PolarHBondContact OG-NZ 3.29Å; S670-N706 PolarHBondContact OG-O 3.22Å; S670-T708 WeakPolarHBondContact CB-OG1 3.26Å; S670-T708 PolarHBondContact OG-N 3.41Å; S670-T708 VanDerWaalsContact OG-N 3.1Å; S670-T708 PolarHBondContact OG-OG1 2.89Å; S670-T708 VanDerWaalsContact OG-OG1 3.06Å |
| 671 | T | 86.4 | Confident | 90 | Very high | 74 Ų | 74 | 36 Ų | 36 | 45% | 0.454 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.2 | -50.3 | 164.9 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | P163 Q667 L673 K674 | P163-T671 WeakPolarHBondContact CB-O 3.5Å; P163-T671 HydrophobicContact CG-CG2 4.38Å; P163-T671 WeakPolarHBondContact CG-O 3.42Å; Q667-T671 PolarHBondContact O-N 2.73Å; Q667-T671 PolarHBondContact O-OG1 2.85Å; T671-L673 PolarHBondContact O-N 3.35Å; T671-K674 PolarHBondContact O-N 2.89Å |
| 672 | D | 85.4 | Confident | 90.1 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 19.2 | 168.4 | -61.6 | -45.6 | 0 | 0 | 0 | 112.8 | G126 S127 P163 C164 M668 L669 | G126-D672 WeakPolarHBondContact O-CB 3.34Å; S127-D672 VanDerWaalsContact CA-OD2 3.24Å; S127-D672 WeakPolarHBondContact CA-OD2 3.44Å; S127-D672 VanDerWaalsContact CB-CB 3.45Å; S127-D672 WeakPolarHBondContact CB-OD2 3.3Å; P163-D672 HydrophobicContact CB-CB 4.32Å; P163-D672 HydrophobicContact CG-CB 4.46Å; C164-D672 WeakPolarHBondContact CB-O 3.22Å; C164-D672 PolarHBondContact N-O 3.41Å; C164-D672 CarbonylContact O-C 3.43Å; C164-D672 VanDerWaalsContact O-O 3.06Å; C164-D672 PolarHBondContact SG-O 2.98Å; M668-D672 WeakPolarHBondContact O-CA 3.44Å; M668-D672 WeakPolarHBondContact O-CB 3.37Å; M668-D672 PolarHBondContact O-N 2.9Å; L669-D672 CarbonylContact O-C 3.3Å; L669-D672 WeakPolarHBondContact O-CA 3.28Å; L669-D672 PolarHBondContact O-N 3.05Å |
| 673 | L | 87.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 25.4 | 175 | -77.3 | 175.4 | 0 | 0 | 0 | 107.4 | C164 D165 L669 S670 T671 V678 N706 I711 M745 | C164-L673 HydrophobicContact CB-CD2 3.94Å; C164-L673 CarbonylContact O-C 3.6Å; C164-L673 WeakPolarHBondContact O-CA 3.29Å; C164-L673 PolarHBondContact O-N 2.72Å; D165-L673 VanDerWaalsContact CB-C 3.4Å; D165-L673 VanDerWaalsContact CG-C 3.46Å; D165-L673 VanDerWaalsContact OD1-C 3.26Å; L669-L673 HydrophobicContact CB-CD1 4.43Å; L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CD1-CD2 4.05Å; L669-L673 HydrophobicContact CD1-CG 3.75Å; L669-L673 HydrophobicContact CG-CD1 3.65Å; L669-L673 HydrophobicContact CG-CD2 4.44Å; L669-L673 HydrophobicContact CG-CG 3.82Å; L669-L673 VanDerWaalsContact O-CA 3.29Å; L669-L673 WeakPolarHBondContact O-CA 3.31Å; L669-L673 WeakPolarHBondContact O-CB 3.29Å; L669-L673 WeakPolarHBondContact O-CD1 3.44Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 2.84Å; S670-L673 CarbonylContact O-C 3.4Å; S670-L673 VanDerWaalsContact O-CA 3.28Å; S670-L673 WeakPolarHBondContact O-CA 3.45Å; S670-L673 PolarHBondContact O-N 2.9Å; T671-L673 PolarHBondContact O-N 3.35Å; L673-V678 VanDerWaalsContact C-CG2 3.45Å; L673-V678 VanDerWaalsContact CA-CG2 3.41Å; L673-V678 HydrophobicContact CB-CB 4.5Å; L673-V678 HydrophobicContact CB-CG1 4.47Å; L673-V678 HydrophobicContact CB-CG2 3.19Å; L673-V678 HydrophobicContact CD1-CG2 4.33Å; L673-V678 HydrophobicContact CD2-CB 4Å; L673-V678 HydrophobicContact CD2-CG1 3.43Å; L673-V678 VanDerWaalsContact CD2-CG1 3.43Å; L673-V678 HydrophobicContact CD2-CG2 3.43Å; L673-V678 VanDerWaalsContact CD2-CG2 3.43Å; L673-V678 HydrophobicContact CG-CG1 4.4Å; L673-V678 HydrophobicContact CG-CG2 3.7Å; L673-V678 WeakPolarHBondContact O-CG2 3.38Å; L673-N706 HydrophobicContact CB-CB 3.96Å; L673-N706 VanDerWaalsContact O-CB 3.29Å; L673-N706 WeakPolarHBondContact O-CB 3.4Å; L673-N706 PolarHBondContact O-ND2 3Å; L673-N706 VanDerWaalsContact O-ND2 3.12Å; L673-I711 HydrophobicContact CD1-CD1 3.3Å; L673-I711 HydrophobicContact CD1-CG1 4.02Å; L673-M745 HydrophobicContact CD1-CG 3.78Å; L673-M745 HydrophobicContact CD2-CB 4.16Å; L673-M745 HydrophobicContact CD2-CG 4Å |
| 674 | K | 84.5 | Confident | 90.2 | Very high | 92 Ų | 92 | 33.2 Ų | 33.2 | 40% | 0.4 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -146.6 | 10.5 | -170.5 | -85.8 | 171.3 | -167.6 | 159 | 0 | 118.7 | D165 S670 T671 N706 | D165-K674 VanDerWaalsContact CG-N 3.26Å; D165-K674 WeakPolarHBondContact OD1-CA 3.32Å; D165-K674 PolarHBondContact OD1-N 2.83Å; D165-K674 WeakPolarHBondContact OD2-CA 3.33Å; S670-K674 VanDerWaalsContact O-CB 3.28Å; S670-K674 WeakPolarHBondContact O-CB 3.34Å; S670-K674 WeakPolarHBondContact O-CD 3.38Å; S670-K674 WeakPolarHBondContact O-CG 3.41Å; S670-K674 PolarHBondContact O-N 3.49Å; S670-K674 WeakPolarHBondContact OG-CE 3.44Å; S670-K674 PolarHBondContact OG-NZ 3.29Å; T671-K674 PolarHBondContact O-N 2.89Å; K674-N706 WeakPolarHBondContact CE-O 3.45Å |
| 675 | E | 73.7 | Confident | 90.3 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 35% | 0.346 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -100.1 | -53.5 | 165.5 | -66.6 | 169.8 | -149.5 | 0 | 0 | 116.8 | R115 I162 P163 D165 K168 H677 | R115-E675 VanDerWaalsContact CZ-O 3.29Å; R115-E675 VanDerWaalsContact NH1-C 3.31Å; R115-E675 PolarHBondContact NH1-O 2.89Å; R115-E675 PolarHBondContact NH2-O 3.17Å; I162-E675 HydrophobicContact CG2-CB 3.74Å; P163-E675 HydrophobicContact CB-CB 3.81Å; P163-E675 HydrophobicContact CB-CG 4.07Å; P163-E675 WeakPolarHBondContact CD-OE1 3.08Å; P163-E675 WeakPolarHBondContact CD-OE2 3.31Å; P163-E675 HydrophobicContact CG-CB 3.94Å; P163-E675 VanDerWaalsContact CG-CD 3.47Å; P163-E675 HydrophobicContact CG-CG 3.66Å; P163-E675 WeakPolarHBondContact CG-OE1 3.39Å; D165-E675 VanDerWaalsContact CG-N 3.32Å; D165-E675 WeakPolarHBondContact OD2-CA 3.09Å; D165-E675 PolarHBondContact OD2-N 2.85Å; K168-E675 PolarHBondContact NZ-O 3.36Å; E675-H677 PolarHBondContact O-N 3.03Å |
| 676 | E | 78.5 | Confident | 90.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87.1 | 4.7 | -173.2 | -11.8 | -176.1 | -176.7 | 0 | 0 | 117 | Y107 E111 V125 I162 P163 D165 Y169 | Y107-E676 VanDerWaalsContact C-OE2 3.31Å; Y107-E676 WeakPolarHBondContact CB-OE2 2.83Å; E111-E676 VanDerWaalsContact CD-CB 3.43Å; E111-E676 HydrophobicContact CG-CB 3.54Å; E111-E676 HydrophobicContact CG-CG 3.24Å; E111-E676 WeakPolarHBondContact CG-OE2 2.93Å; E111-E676 WeakPolarHBondContact OE1-CA 3.23Å; E111-E676 WeakPolarHBondContact OE1-CB 3.26Å; E111-E676 WeakPolarHBondContact OE1-CG 3.46Å; V125-E676 WeakPolarHBondContact CA-OE1 3.21Å; V125-E676 WeakPolarHBondContact CB-OE1 3.35Å; V125-E676 VanDerWaalsContact CG1-CD 3.48Å; V125-E676 WeakPolarHBondContact CG1-OE1 3.26Å; V125-E676 WeakPolarHBondContact CG1-OE2 2.91Å; V125-E676 WeakPolarHBondContact CG2-OE1 3.29Å; V125-E676 WeakPolarHBondContact CG2-OE2 3.09Å; I162-E676 WeakPolarHBondContact CB-OE1 3.48Å; I162-E676 HydrophobicContact CG2-CG 3.73Å; I162-E676 VanDerWaalsContact CG2-OE1 3.3Å; I162-E676 WeakPolarHBondContact CG2-OE1 3.37Å; P163-E676 WeakPolarHBondContact O-CG 3.21Å; D165-E676 VanDerWaalsContact C-C 3.4Å; D165-E676 VanDerWaalsContact CA-CA 3.47Å; D165-E676 CarbonylContact O-C 3.59Å; D165-E676 PolarHBondContact OD2-N 2.92Å; Y169-E676 HydrophobicContact CE1-CB 3.6Å; Y169-E676 HydrophobicContact CE1-CG 4.41Å; Y169-E676 WeakPolarHBondContact CE1-OE2 3.48Å; Y169-E676 VanDerWaalsContact CZ-OE2 3.24Å; Y169-E676 WeakPolarHBondContact OH-CB 3.32Å; Y169-E676 WeakPolarHBondContact OH-CG 3.32Å; Y169-E676 PolarHBondContact OH-OE2 3.21Å |
| 677 | H | 78 | Confident | 90.4 | Very high | 71 Ų | 71 | 30.4 Ų | 30.4 | 33% | 0.329 | 15% | 0.147 | S | C | . | . | trans | 91.8 | 31.1 | -177.8 | -52.1 | -97 | 0 | 0 | 0 | 127.9 | D165 V167 K168 E675 V751 | D165-H677 VanDerWaalsContact C-N 3.34Å; D165-H677 CarbonylContact O-C 3.55Å; D165-H677 WeakPolarHBondContact O-CA 3.5Å; D165-H677 PolarHBondContact O-N 3.33Å; D165-H677 WeakPolarHBondContact OD1-CA 3.4Å; D165-H677 WeakPolarHBondContact OD2-CA 3.45Å; D165-H677 PolarHBondContact OD2-N 2.85Å; V167-H677 VanDerWaalsContact C-CB 3.43Å; V167-H677 CarbonylContact C-O 3.6Å; V167-H677 WeakPolarHBondContact CA-O 2.9Å; V167-H677 WeakPolarHBondContact CB-O 3.42Å; V167-H677 WeakPolarHBondContact CG2-O 3.11Å; V167-H677 PolarHBondContact N-O 3.44Å; K168-H677 HydrophobicContact CB-CB 3.6Å; K168-H677 HydrophobicContact CD-CB 3.75Å; K168-H677 WeakPolarHBondContact CD-CD2 3.18Å; K168-H677 VanDerWaalsContact CD-NE2 3.28Å; K168-H677 WeakPolarHBondContact CD-NE2 3.37Å; K168-H677 VanDerWaalsContact CE-CB 3.45Å; K168-H677 WeakPolarHBondContact CE-CD2 3.22Å; K168-H677 WeakPolarHBondContact CE-CE1 3.42Å; K168-H677 WeakPolarHBondContact CE-ND1 3.17Å; K168-H677 WeakPolarHBondContact CE-NE2 3.28Å; K168-H677 HydrophobicContact CG-CB 3.34Å; K168-H677 VanDerWaalsContact N-CB 3.28Å; K168-H677 PolarHBondContact NZ-CD2 3.41Å; K168-H677 PolarHBondContact NZ-CE1 2.95Å; K168-H677 PolarHBondContact NZ-ND1 2.82Å; K168-H677 PolarHBondContact NZ-NE2 3.47Å; E675-H677 PolarHBondContact O-N 3.03Å; H677-V751 HydrophobicContact CB-CG2 4.07Å; H677-V751 WeakPolarHBondContact O-CG2 3.3Å | ||
| 678 | V | 88.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -67.1 | 158.2 | -171.8 | -54 | 0 | 0 | 0 | 0 | 117.8 | C164 D165 F166 V167 L673 N706 | C164-V678 VanDerWaalsContact C-CG1 3.46Å; C164-V678 HydrophobicContact CB-CG1 3.92Å; C164-V678 WeakPolarHBondContact O-CG1 3.31Å; D165-V678 VanDerWaalsContact C-CA 3.42Å; D165-V678 HydrophobicContact CB-CB 3.86Å; D165-V678 HydrophobicContact CB-CG1 3.73Å; D165-V678 HydrophobicContact CB-CG2 3.88Å; D165-V678 PolarHBondContact O-N 3.12Å; D165-V678 PolarHBondContact OD1-N 2.95Å; F166-V678 HydrophobicContact CB-CB 3.46Å; F166-V678 VanDerWaalsContact CB-CB 3.46Å; F166-V678 HydrophobicContact CB-CG1 3.24Å; F166-V678 HydrophobicContact CD2-CB 4.22Å; F166-V678 HydrophobicContact CD2-CG1 3.5Å; F166-V678 VanDerWaalsContact CD2-CG1 3.5Å; F166-V678 HydrophobicContact CG-CB 4.29Å; F166-V678 HydrophobicContact CG-CG1 3.71Å; V167-V678 HydrophobicContact CG1-CB 4.49Å; V167-V678 VanDerWaalsContact N-CA 3.25Å; L673-V678 VanDerWaalsContact C-CG2 3.45Å; L673-V678 VanDerWaalsContact CA-CG2 3.41Å; L673-V678 HydrophobicContact CB-CB 4.5Å; L673-V678 HydrophobicContact CB-CG1 4.47Å; L673-V678 HydrophobicContact CB-CG2 3.19Å; L673-V678 HydrophobicContact CD1-CG2 4.33Å; L673-V678 HydrophobicContact CD2-CB 4Å; L673-V678 HydrophobicContact CD2-CG1 3.43Å; L673-V678 VanDerWaalsContact CD2-CG1 3.43Å; L673-V678 HydrophobicContact CD2-CG2 3.43Å; L673-V678 VanDerWaalsContact CD2-CG2 3.43Å; L673-V678 HydrophobicContact CG-CG1 4.4Å; L673-V678 HydrophobicContact CG-CG2 3.7Å; L673-V678 WeakPolarHBondContact O-CG2 3.38Å; V678-N706 HydrophobicContact CG2-CB 3.3Å; V678-N706 WeakPolarHBondContact O-CB 3.13Å; V678-N706 PolarHBondContact O-ND2 3.49Å | ||
| 679 | K | 90.3 | Very high | 90.4 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 18% | 0.178 | 12% | 0.121 | C | C | . | . | trans | -147.8 | 143.7 | 141.6 | -73.5 | -179 | 178.1 | -176.1 | 0 | 106.4 | V167 Y704 T705 N706 L748 C754 | V167-K679 HydrophobicContact CG1-CB 4.33Å; V167-K679 WeakPolarHBondContact CG1-O 3.5Å; V167-K679 HydrophobicContact CG2-CB 4.04Å; V167-K679 HydrophobicContact CG2-CG 4.18Å; K679-Y704 WeakPolarHBondContact CD-O 3.34Å; K679-T705 CarbonylContact C-O 3.42Å; K679-T705 VanDerWaalsContact CA-C 3.49Å; K679-T705 WeakPolarHBondContact CA-O 3.37Å; K679-N706 HydrophobicContact CG-CB 4.2Å; K679-L748 WeakPolarHBondContact O-CD2 3.27Å; K679-C754 HydrophobicContact CD-CB 4.41Å | ||
| 680 | G | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y704 T705 M745 | G680-Y704 WeakPolarHBondContact O-CA 3.39Å; G680-T705 PolarHBondContact N-O 3.05Å; G680-T705 PolarHBondContact O-N 2.83Å; G680-M745 VanDerWaalsContact C-CE 3.45Å; G680-M745 VanDerWaalsContact O-CE 3.23Å; G680-M745 WeakPolarHBondContact O-CE 3.4Å |
| 681 | Q | 93.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 16% | 0.164 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -31.8 | -167.6 | -153.4 | -173 | 25.3 | 0 | 0 | 114.4 | L700 L701 P702 Y704 S746 N747 | Q681-L700 HydrophobicContact CB-CD1 4.13Å; Q681-L700 HydrophobicContact CG-CD1 3.77Å; Q681-L700 HydrophobicContact CG-CG 4.07Å; Q681-L700 CarbonylContact O-C 3.53Å; Q681-L701 VanDerWaalsContact CG-O 3.24Å; Q681-L701 WeakPolarHBondContact CG-O 3.47Å; Q681-L701 PolarHBondContact NE2-O 3.41Å; Q681-L701 WeakPolarHBondContact O-CB 3.2Å; Q681-L701 VanDerWaalsContact O-CG 3.3Å; Q681-L701 WeakPolarHBondContact O-CG 3.28Å; Q681-L701 PolarHBondContact O-N 3.35Å; Q681-P702 PolarHBondContact NE2-O 3.27Å; Q681-Y704 HydrophobicContact CB-CD1 4.02Å; Q681-Y704 HydrophobicContact CB-CD2 4.08Å; Q681-Y704 HydrophobicContact CB-CE1 3.93Å; Q681-Y704 HydrophobicContact CB-CE2 3.99Å; Q681-Y704 HydrophobicContact CB-CG 4.08Å; Q681-Y704 HydrophobicContact CG-CD2 4.12Å; Q681-Y704 HydrophobicContact CG-CE2 4.06Å; Q681-S746 PolarHBondContact N-O 2.88Å; Q681-N747 PolarHBondContact N-O 3.48Å; Q681-N747 VanDerWaalsContact N-O 3.12Å; Q681-N747 PolarHBondContact OE1-ND2 3.32Å |
| 682 | L | 96.2 | Very high | 89.5 | Confident | 52 Ų | 52 | 25.9 Ų | 25.9 | 27% | 0.272 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 105 | 178.1 | -176.4 | 75.7 | 0 | 0 | 0 | 110.5 | L700 M745 S746 N747 | L682-L700 HydrophobicContact CB-CD1 4.23Å; L682-L700 HydrophobicContact CD1-CD1 4.28Å; L682-M745 CarbonylContact O-C 3.52Å; L682-M745 VanDerWaalsContact O-CA 3.28Å; L682-M745 WeakPolarHBondContact O-CA 3.35Å; L682-S746 PolarHBondContact N-O 2.86Å; L682-S746 PolarHBondContact O-N 3.41Å; L682-N747 HydrophobicContact CB-CB 4.47Å |
| 683 | I | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 153.8 | 169.6 | -165.6 | 162.2 | 0 | 0 | 0 | 110.5 | S698 Q699 L701 I711 F714 L718 L743 R744 M745 | I683-S698 CarbonylContact O-C 3.49Å; I683-S698 WeakPolarHBondContact O-CA 3.46Å; I683-S698 WeakPolarHBondContact O-CB 3.42Å; I683-Q699 HydrophobicContact CG2-CB 3.93Å; I683-Q699 WeakPolarHBondContact CG2-O 3.48Å; I683-Q699 PolarHBondContact N-O 3.05Å; I683-Q699 PolarHBondContact O-N 3.26Å; I683-L701 HydrophobicContact CB-CD2 4.31Å; I683-L701 HydrophobicContact CG2-CD2 3.75Å; I683-L701 HydrophobicContact CG2-CG 4.37Å; I683-I711 HydrophobicContact CD1-CG2 3.96Å; I683-I711 WeakPolarHBondContact CD1-O 3.09Å; I683-F714 HydrophobicContact CD1-CB 4.28Å; I683-F714 HydrophobicContact CG2-CB 4.13Å; I683-L718 HydrophobicContact CG2-CD1 4.06Å; I683-L743 HydrophobicContact CD1-CD2 4.46Å; I683-R744 CarbonylContact C-O 3.54Å; I683-R744 VanDerWaalsContact C-O 3.3Å; I683-R744 WeakPolarHBondContact CA-O 3.48Å; I683-M745 HydrophobicContact CB-CE 4.07Å; I683-M745 HydrophobicContact CB-SD 3.63Å; I683-M745 HydrophobicContact CD1-SD 4.07Å; I683-M745 HydrophobicContact CG1-SD 3.7Å |
| 684 | T | 98.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 124 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | R697 S698 L743 R744 | T684-R697 CarbonylContact C-O 3.53Å; T684-R697 WeakPolarHBondContact CA-O 3.37Å; T684-R697 WeakPolarHBondContact CG2-O 3.43Å; T684-S698 WeakPolarHBondContact CG2-OG 3.3Å; T684-S698 PolarHBondContact OG1-OG 2.9Å; T684-S698 VanDerWaalsContact OG1-OG 3.06Å; T684-L743 CarbonylContact O-C 3.6Å; T684-L743 WeakPolarHBondContact O-CA 3.49Å; T684-R744 VanDerWaalsContact CB-NE 3.35Å; T684-R744 HydrophobicContact CG2-CB 4.47Å; T684-R744 PolarHBondContact N-O 2.93Å; T684-R744 PolarHBondContact O-N 2.69Å; T684-R744 PolarHBondContact OG1-NE 2.9Å; T684-R744 PolarHBondContact OG1-NH2 2.81Å |
| 685 | L | 98.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.7 | 171.9 | 179.7 | 67.6 | 0 | 0 | 0 | 109.4 | M687 T696 R697 L718 L719 M741 G742 L743 | L685-M687 HydrophobicContact CD1-CG 4.43Å; L685-M687 HydrophobicContact CD2-CE 3.76Å; L685-M687 HydrophobicContact CD2-CG 4.22Å; L685-M687 HydrophobicContact CD2-SD 3.69Å; L685-M687 HydrophobicContact CG-CE 3.99Å; L685-M687 HydrophobicContact CG-CG 3.96Å; L685-M687 HydrophobicContact CG-SD 4.06Å; L685-T696 CarbonylContact O-C 3.32Å; L685-T696 VanDerWaalsContact O-CA 3.26Å; L685-T696 WeakPolarHBondContact O-CA 3.34Å; L685-R697 PolarHBondContact N-O 3.34Å; L685-R697 PolarHBondContact O-N 3.26Å; L685-L718 HydrophobicContact CB-CB 3.99Å; L685-L718 HydrophobicContact CB-CD1 4.05Å; L685-L718 HydrophobicContact CD2-CB 3.95Å; L685-L719 VanDerWaalsContact CD2-CA 3.46Å; L685-L719 HydrophobicContact CD2-CB 3.75Å; L685-L719 HydrophobicContact CD2-CD1 4.14Å; L685-M741 HydrophobicContact CD1-CG 3.71Å; L685-M741 HydrophobicContact CD1-SD 4.13Å; L685-G742 CarbonylContact C-O 3.35Å; L685-G742 WeakPolarHBondContact CA-O 3.15Å; L685-L743 HydrophobicContact CB-CD2 4.38Å; L685-L743 HydrophobicContact CD1-CD2 3.74Å |
| 686 | K | 97.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.2 | 169.2 | 171.7 | 179.1 | 161.8 | -156.3 | 0 | 109.2 | M130 E646 I694 T696 M741 G742 | M130-K686 HydrophobicContact CE-CD 3.54Å; E646-K686 IonicContact OE1-NZ 2.79Å; E646-K686 PolarHBondContact OE1-NZ 3.35Å; E646-K686 WeakPolarHBondContact OE2-CD 3.42Å; E646-K686 WeakPolarHBondContact OE2-CE 3.13Å; E646-K686 IonicContact OE2-NZ 2.74Å; E646-K686 PolarHBondContact OE2-NZ 3.26Å; K686-I694 HydrophobicContact CG-CG2 4.35Å; K686-T696 HydrophobicContact CB-CG2 4.2Å; K686-T696 HydrophobicContact CG-CG2 4.46Å; K686-M741 CarbonylContact O-C 3.45Å; K686-G742 PolarHBondContact N-O 2.87Å; K686-G742 PolarHBondContact O-N 2.98Å |
| 687 | M | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.7 | -179.8 | -70 | 169.1 | -76.5 | 0 | 0 | 109 | L685 I694 R695 R697 L719 E722 L736 L738 | L685-M687 HydrophobicContact CD1-CG 4.43Å; L685-M687 HydrophobicContact CD2-CE 3.76Å; L685-M687 HydrophobicContact CD2-CG 4.22Å; L685-M687 HydrophobicContact CD2-SD 3.69Å; L685-M687 HydrophobicContact CG-CE 3.99Å; L685-M687 HydrophobicContact CG-CG 3.96Å; L685-M687 HydrophobicContact CG-SD 4.06Å; M687-I694 CarbonylContact O-C 3.49Å; M687-I694 WeakPolarHBondContact O-CA 3.22Å; M687-R695 PolarHBondContact N-O 3.43Å; M687-R695 PolarHBondContact O-N 3.25Å; M687-R697 HydrophobicContact CE-CG 3.84Å; M687-L719 HydrophobicContact SD-CD1 4.34Å; M687-E722 HydrophobicContact CE-CB 3.88Å; M687-E722 HydrophobicContact CE-CG 3.74Å; M687-E722 HydrophobicContact SD-CB 4.03Å; M687-E722 HydrophobicContact SD-CG 3.85Å; M687-L736 HydrophobicContact SD-CD2 4.38Å; M687-L738 HydrophobicContact CB-CD1 4.19Å; M687-L738 HydrophobicContact CB-CD2 3.89Å; M687-L738 HydrophobicContact CG-CD1 3.79Å; M687-L738 HydrophobicContact CG-CD2 4.34Å; M687-L738 HydrophobicContact SD-CD1 4.23Å |
| 688 | K | 93.4 | Very high | 93 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 19% | 0.191 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.8 | 167.4 | -174.7 | -178.2 | -177.9 | -179.1 | 0 | 108.8 | F692 E693 I694 R739 L740 | K688-F692 VanDerWaalsContact CE-CD1 3.5Å; K688-F692 WeakPolarHBondContact CE-O 3.01Å; K688-F692 VanDerWaalsContact NZ-CD1 3.3Å; K688-E693 CarbonylContact C-O 3.33Å; K688-E693 VanDerWaalsContact CA-O 3.24Å; K688-E693 WeakPolarHBondContact CA-O 3.42Å; K688-E693 WeakPolarHBondContact CG-O 3.32Å; K688-I694 HydrophobicContact CB-CG1 4.26Å; K688-I694 HydrophobicContact CD-CG1 4.34Å; K688-I694 HydrophobicContact CG-CG1 3.99Å; K688-R739 HydrophobicContact CD-CG 4.28Å; K688-R739 HydrophobicContact CG-CG 4.17Å; K688-R739 PolarHBondContact O-N 2.91Å; K688-L740 HydrophobicContact CB-CB 4.01Å; K688-L740 HydrophobicContact CB-CD1 4.46Å; K688-L740 HydrophobicContact CB-CD2 3.94Å; K688-L740 HydrophobicContact CB-CG 4.36Å; K688-L740 HydrophobicContact CD-CD1 4.28Å; K688-L740 PolarHBondContact N-O 3.04Å; K688-L740 PolarHBondContact O-N 3.02Å |
| 689 | L | 92.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 163.4 | -177.9 | -74.3 | 64.4 | 0 | 0 | 0 | 110 | T691 F692 E693 R695 F726 T737 L738 R739 | L689-T691 WeakPolarHBondContact CB-OG1 3.42Å; L689-T691 PolarHBondContact O-N 3.24Å; L689-F692 PolarHBondContact O-N 3.15Å; L689-E693 HydrophobicContact CB-CB 4.4Å; L689-E693 HydrophobicContact CD2-CB 4.5Å; L689-E693 PolarHBondContact N-O 2.91Å; L689-R695 HydrophobicContact CD1-CG 4.01Å; L689-F726 HydrophobicContact CD2-CE2 3.89Å; L689-F726 HydrophobicContact CD2-CZ 4.15Å; L689-T737 CarbonylContact C-O 3.09Å; L689-T737 VanDerWaalsContact CA-O 3.31Å; L689-T737 WeakPolarHBondContact CA-O 3.48Å; L689-L738 HydrophobicContact CD1-CD2 4.13Å; L689-L738 HydrophobicContact CG-CD2 4.26Å; L689-R739 VanDerWaalsContact O-CD 3.22Å; L689-R739 WeakPolarHBondContact O-CD 3.4Å; L689-R739 WeakPolarHBondContact O-CG 3.24Å |
| 690 | D | 87.9 | Confident | 93.6 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.1 | 174.3 | 75.7 | -48.6 | 0 | 0 | 0 | 112.5 | K43 D651 F692 K734 T737 R739 | K43-D690 HydrophobicContact CD-CB 4.4Å; K43-D690 VanDerWaalsContact CD-O 3.28Å; K43-D690 WeakPolarHBondContact CD-O 3.44Å; K43-D690 IonicContact NZ-OD2 2.73Å; K43-D690 PolarHBondContact NZ-OD2 2.9Å; D651-D690 HydrophobicContact CB-CB 4.08Å; D651-D690 WeakPolarHBondContact OD2-CB 3.46Å; D690-F692 VanDerWaalsContact O-CD2 3.28Å; D690-F692 WeakPolarHBondContact O-CD2 3.18Å; D690-F692 PolarHBondContact O-N 3.29Å; D690-F692 VanDerWaalsContact O-N 3.11Å; D690-K734 IonicContact OD1-NZ 3.09Å; D690-K734 PolarHBondContact OD1-NZ 2.81Å; D690-K734 VanDerWaalsContact OD1-NZ 3.16Å; D690-K734 IonicContact OD2-NZ 2.76Å; D690-K734 PolarHBondContact OD2-NZ 3.2Å; D690-T737 HydrophobicContact CB-CG2 3.86Å; D690-T737 PolarHBondContact N-O 2.81Å; D690-R739 PolarHBondContact O-NH1 2.81Å |
| 691 | T | 85.4 | Confident | 93.6 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 5.9 | 171.1 | 66.1 | 0 | 0 | 0 | 0 | 115.7 | R50 L689 E693 | R50-T691 PolarHBondContact NH2-O 3.13Å; L689-T691 WeakPolarHBondContact CB-OG1 3.42Å; L689-T691 PolarHBondContact O-N 3.24Å; T691-E693 PolarHBondContact O-N 2.82Å; T691-E693 VanDerWaalsContact O-N 3.1Å |
| 692 | F | 84.1 | Confident | 93.3 | Very high | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 65.6 | -4 | -175.9 | -73.1 | -112.8 | 0 | 0 | 0 | 116.6 | K43 F44 N47 K688 L689 D690 | K43-F692 HydrophobicContact CB-CD2 3.94Å; K43-F692 HydrophobicContact CB-CE2 3.97Å; F44-F692 HydrophobicContact CB-CD1 4.41Å; F44-F692 HydrophobicContact CB-CD2 4.46Å; F44-F692 HydrophobicContact CB-CE1 3.99Å; F44-F692 HydrophobicContact CB-CE2 4.04Å; F44-F692 HydrophobicContact CB-CZ 3.8Å; F44-F692 AromaticContact CD2-CD1 3.75Å; F44-F692 HydrophobicContact CD2-CD1 3.75Å; F44-F692 AromaticContact CD2-CE1 3.62Å; F44-F692 HydrophobicContact CD2-CE1 3.62Å; F44-F692 HydrophobicContact CD2-CZ 4.3Å; F44-F692 HydrophobicContact CG-CE1 4.23Å; F44-F692 HydrophobicContact CG-CZ 4.49Å; N47-F692 HydrophobicContact CB-CB 3.7Å; K688-F692 VanDerWaalsContact CE-CD1 3.5Å; K688-F692 WeakPolarHBondContact CE-O 3.01Å; K688-F692 VanDerWaalsContact NZ-CD1 3.3Å; L689-F692 PolarHBondContact O-N 3.15Å; D690-F692 VanDerWaalsContact O-CD2 3.28Å; D690-F692 WeakPolarHBondContact O-CD2 3.18Å; D690-F692 PolarHBondContact O-N 3.29Å; D690-F692 VanDerWaalsContact O-N 3.11Å |
| 693 | E | 86.8 | Confident | 92.9 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | trans | -56.4 | 144.3 | 169.1 | -175.2 | -176.8 | 133.8 | 0 | 0 | 111.4 | K688 L689 T691 R695 | K688-E693 CarbonylContact C-O 3.33Å; K688-E693 VanDerWaalsContact CA-O 3.24Å; K688-E693 WeakPolarHBondContact CA-O 3.42Å; K688-E693 WeakPolarHBondContact CG-O 3.32Å; L689-E693 HydrophobicContact CB-CB 4.4Å; L689-E693 HydrophobicContact CD2-CB 4.5Å; L689-E693 PolarHBondContact N-O 2.91Å; T691-E693 PolarHBondContact O-N 2.82Å; T691-E693 VanDerWaalsContact O-N 3.1Å; E693-R695 IonicContact OE1-CZ 3.32Å; E693-R695 VanDerWaalsContact OE1-CZ 3.24Å; E693-R695 IonicContact OE1-NE 3.71Å; E693-R695 PolarHBondContact OE1-NE 2.96Å; E693-R695 IonicContact OE1-NH2 3.63Å; E693-R695 PolarHBondContact OE1-NH2 3.27Å | ||
| 694 | I | 91.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | 178.4 | -58.8 | 174 | 0 | 0 | 0 | 109.3 | K686 M687 K688 | K686-I694 HydrophobicContact CG-CG2 4.35Å; M687-I694 CarbonylContact O-C 3.49Å; M687-I694 WeakPolarHBondContact O-CA 3.22Å; K688-I694 HydrophobicContact CB-CG1 4.26Å; K688-I694 HydrophobicContact CD-CG1 4.34Å; K688-I694 HydrophobicContact CG-CG1 3.99Å |
| 695 | R | 91.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 156.9 | 173.9 | -63.2 | -172.5 | -178 | -177 | 1.6 | 111 | M687 L689 E693 E722 | M687-R695 PolarHBondContact N-O 3.43Å; M687-R695 PolarHBondContact O-N 3.25Å; L689-R695 HydrophobicContact CD1-CG 4.01Å; E693-R695 IonicContact OE1-CZ 3.32Å; E693-R695 VanDerWaalsContact OE1-CZ 3.24Å; E693-R695 IonicContact OE1-NE 3.71Å; E693-R695 PolarHBondContact OE1-NE 2.96Å; E693-R695 IonicContact OE1-NH2 3.63Å; E693-R695 PolarHBondContact OE1-NH2 3.27Å; R695-E722 WeakPolarHBondContact CD-OE1 3.23Å; R695-E722 IonicContact CZ-OE1 2.99Å; R695-E722 IonicContact NE-OE1 2.6Å; R695-E722 IonicContact NH1-OE1 2.77Å; R695-E722 PolarHBondContact NH1-OE1 2.86Å |
| 696 | T | 96.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.4 | 169.6 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | L685 K686 | L685-T696 CarbonylContact O-C 3.32Å; L685-T696 VanDerWaalsContact O-CA 3.26Å; L685-T696 WeakPolarHBondContact O-CA 3.34Å; K686-T696 HydrophobicContact CB-CG2 4.2Å; K686-T696 HydrophobicContact CG-CG2 4.46Å |
| 697 | R | 96.7 | Very high | 92 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.6 | 169.1 | -57.8 | -65.9 | 167.9 | -122.3 | 7.9 | 108 | T684 L685 M687 L718 E722 | T684-R697 CarbonylContact C-O 3.53Å; T684-R697 WeakPolarHBondContact CA-O 3.37Å; T684-R697 WeakPolarHBondContact CG2-O 3.43Å; L685-R697 PolarHBondContact N-O 3.34Å; L685-R697 PolarHBondContact O-N 3.26Å; M687-R697 HydrophobicContact CE-CG 3.84Å; R697-L718 HydrophobicContact CB-CB 4.46Å; R697-L718 HydrophobicContact CB-CD1 4.36Å; R697-L718 HydrophobicContact CB-CD2 3.94Å; R697-E722 IonicContact CZ-OE2 3.41Å; R697-E722 IonicContact NE-OE2 2.65Å; R697-E722 PolarHBondContact NE-OE2 3.46Å; R697-E722 IonicContact NH2-OE1 2.68Å; R697-E722 PolarHBondContact NH2-OE1 3.26Å; R697-E722 IonicContact NH2-OE2 3.76Å; R697-E722 PolarHBondContact NH2-OE2 3Å |
| 698 | S | 97 | Very high | 92 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.7 | -179.1 | -46.7 | 0 | 0 | 0 | 0 | 110.9 | I683 T684 | I683-S698 CarbonylContact O-C 3.49Å; I683-S698 WeakPolarHBondContact O-CA 3.46Å; I683-S698 WeakPolarHBondContact O-CB 3.42Å; T684-S698 WeakPolarHBondContact CG2-OG 3.3Å; T684-S698 PolarHBondContact OG1-OG 2.9Å; T684-S698 VanDerWaalsContact OG1-OG 3.06Å |
| 699 | Q | 95.6 | Very high | 92.1 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140 | -176.3 | -173.6 | 177.7 | 10.7 | 0 | 0 | 109.2 | I683 E717 L718 | I683-Q699 HydrophobicContact CG2-CB 3.93Å; I683-Q699 WeakPolarHBondContact CG2-O 3.48Å; I683-Q699 PolarHBondContact N-O 3.05Å; I683-Q699 PolarHBondContact O-N 3.26Å; Q699-E717 PolarHBondContact NE2-OE2 3.22Å; Q699-L718 HydrophobicContact CB-CD1 4.22Å; Q699-L718 HydrophobicContact CB-CD2 4.03Å; Q699-L718 HydrophobicContact CB-CG 4.31Å |
| 700 | L | 96 | Very high | 92.3 | Very high | 100 Ų | 100 | 60 Ų | 60 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.7 | 173.7 | -164.1 | 73.5 | 0 | 0 | 0 | 108.8 | Q681 L682 | Q681-L700 HydrophobicContact CB-CD1 4.13Å; Q681-L700 HydrophobicContact CG-CD1 3.77Å; Q681-L700 HydrophobicContact CG-CG 4.07Å; Q681-L700 CarbonylContact O-C 3.53Å; L682-L700 HydrophobicContact CB-CD1 4.23Å; L682-L700 HydrophobicContact CD1-CD1 4.28Å |
| 701 | L | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 150.9 | 177.2 | -55 | -171.6 | 0 | 0 | 0 | 110 | Q681 I683 T705 I710 F714 M745 | Q681-L701 VanDerWaalsContact CG-O 3.24Å; Q681-L701 WeakPolarHBondContact CG-O 3.47Å; Q681-L701 PolarHBondContact NE2-O 3.41Å; Q681-L701 WeakPolarHBondContact O-CB 3.2Å; Q681-L701 VanDerWaalsContact O-CG 3.3Å; Q681-L701 WeakPolarHBondContact O-CG 3.28Å; Q681-L701 PolarHBondContact O-N 3.35Å; I683-L701 HydrophobicContact CB-CD2 4.31Å; I683-L701 HydrophobicContact CG2-CD2 3.75Å; I683-L701 HydrophobicContact CG2-CG 4.37Å; L701-T705 HydrophobicContact CD1-CG2 3.46Å; L701-T705 VanDerWaalsContact CD1-CG2 3.46Å; L701-I710 HydrophobicContact CD1-CG2 4.41Å; L701-F714 HydrophobicContact CD2-CB 3.63Å; L701-F714 HydrophobicContact CD2-CD1 3.66Å; L701-F714 HydrophobicContact CD2-CD2 3.42Å; L701-F714 VanDerWaalsContact CD2-CD2 3.42Å; L701-F714 HydrophobicContact CD2-CE1 4.09Å; L701-F714 HydrophobicContact CD2-CE2 3.89Å; L701-F714 HydrophobicContact CD2-CG 3.28Å; L701-F714 HydrophobicContact CD2-CZ 4.19Å; L701-M745 HydrophobicContact CD1-CE 3.54Å; L701-M745 HydrophobicContact CG-CE 4.31Å |
| 702 | P | 88.1 | Confident | 93.3 | Very high | 102 Ų | 102 | 58 Ų | 58 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | -54.3 | 177.8 | -22.8 | 33 | 0 | 0 | 0 | 111.6 | Q681 F714 | Q681-P702 PolarHBondContact NE2-O 3.27Å; P702-F714 HydrophobicContact CG-CZ 4.31Å |
| 703 | D | 86.7 | Confident | 93.9 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 154.3 | 177.1 | -82 | -49.2 | 0 | 0 | 0 | 111.7 | T705 | D703-T705 PolarHBondContact O-N 3.42Å |
| 704 | Y | 92.5 | Very high | 94.4 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 18% | 0.18 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 122.9 | 164.7 | -74.2 | -107.8 | 0 | 0 | 0 | 109 | K679 G680 Q681 N747 L748 L749 C754 | K679-Y704 WeakPolarHBondContact CD-O 3.34Å; G680-Y704 WeakPolarHBondContact O-CA 3.39Å; Q681-Y704 HydrophobicContact CB-CD1 4.02Å; Q681-Y704 HydrophobicContact CB-CD2 4.08Å; Q681-Y704 HydrophobicContact CB-CE1 3.93Å; Q681-Y704 HydrophobicContact CB-CE2 3.99Å; Q681-Y704 HydrophobicContact CB-CG 4.08Å; Q681-Y704 HydrophobicContact CG-CD2 4.12Å; Q681-Y704 HydrophobicContact CG-CE2 4.06Å; Y704-N747 WeakPolarHBondContact CE1-O 3.26Å; Y704-N747 PolarHBondContact OH-ND2 3.44Å; Y704-N747 PolarHBondContact OH-OD1 2.96Å; Y704-L748 VanDerWaalsContact CE1-CA 3.46Å; Y704-L749 HydrophobicContact CD1-CD1 4.16Å; Y704-L749 HydrophobicContact CD1-CG 4.11Å; Y704-L749 HydrophobicContact CD2-CD1 4.04Å; Y704-L749 HydrophobicContact CE1-CD1 3.95Å; Y704-L749 HydrophobicContact CE1-CG 3.74Å; Y704-L749 HydrophobicContact CE2-CD1 3.85Å; Y704-L749 HydrophobicContact CG-CD1 4.22Å; Y704-C754 WeakPolarHBondContact CB-SG 3.47Å |
| 705 | T | 93.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.1 | -177.4 | -167.5 | 0 | 0 | 0 | 0 | 115.3 | K679 G680 L701 D703 H707 I710 I711 | K679-T705 CarbonylContact C-O 3.42Å; K679-T705 VanDerWaalsContact CA-C 3.49Å; K679-T705 WeakPolarHBondContact CA-O 3.37Å; G680-T705 PolarHBondContact N-O 3.05Å; G680-T705 PolarHBondContact O-N 2.83Å; L701-T705 HydrophobicContact CD1-CG2 3.46Å; L701-T705 VanDerWaalsContact CD1-CG2 3.46Å; D703-T705 PolarHBondContact O-N 3.42Å; T705-H707 PolarHBondContact OG1-N 2.91Å; T705-I710 HydrophobicContact CG2-CB 3.99Å; T705-I710 HydrophobicContact CG2-CG2 3.75Å; T705-I711 HydrophobicContact CG2-CG1 4.05Å |
| 706 | N | 93.7 | Very high | 95 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | trans | -123.7 | 10.4 | 161.1 | 68.4 | -25.9 | 0 | 0 | 0 | 113.4 | S670 L673 K674 V678 K679 | S670-N706 PolarHBondContact OG-O 3.22Å; L673-N706 HydrophobicContact CB-CB 3.96Å; L673-N706 VanDerWaalsContact O-CB 3.29Å; L673-N706 WeakPolarHBondContact O-CB 3.4Å; L673-N706 PolarHBondContact O-ND2 3Å; L673-N706 VanDerWaalsContact O-ND2 3.12Å; K674-N706 WeakPolarHBondContact CE-O 3.45Å; V678-N706 HydrophobicContact CG2-CB 3.3Å; V678-N706 WeakPolarHBondContact O-CB 3.13Å; V678-N706 PolarHBondContact O-ND2 3.49Å; K679-N706 HydrophobicContact CG-CB 4.2Å | ||
| 707 | H | 93.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 38% | 0.384 | 27% | 0.274 | S | S | . | . | trans | -83.5 | 124 | -176.3 | -70 | -91.3 | 0 | 0 | 0 | 110.5 | T705 E709 I710 I711 | T705-H707 PolarHBondContact OG1-N 2.91Å; H707-E709 WeakPolarHBondContact CB-OE2 3.44Å; H707-E709 PolarHBondContact O-N 3Å; H707-E709 VanDerWaalsContact O-N 3.08Å; H707-I710 HydrophobicContact CB-CD1 4.35Å; H707-I710 HydrophobicContact CB-CG1 4.25Å; H707-I710 PolarHBondContact O-N 3.31Å; H707-I710 VanDerWaalsContact O-N 3.1Å; H707-I711 VanDerWaalsContact O-CD1 3.25Å; H707-I711 WeakPolarHBondContact O-CD1 3.06Å; H707-I711 WeakPolarHBondContact O-CG1 3.38Å; H707-I711 PolarHBondContact O-N 3.09Å; H707-I711 VanDerWaalsContact O-N 3.1Å | ||
| 708 | T | 97.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -45.6 | -43.4 | -179.3 | -45.5 | 0 | 0 | 0 | 0 | 111.6 | Q667 S670 I710 I711 N712 | Q667-T708 HydrophobicContact CB-CG2 3.73Å; Q667-T708 HydrophobicContact CG-CG2 4.2Å; S670-T708 WeakPolarHBondContact CB-OG1 3.26Å; S670-T708 PolarHBondContact OG-N 3.41Å; S670-T708 VanDerWaalsContact OG-N 3.1Å; S670-T708 PolarHBondContact OG-OG1 2.89Å; S670-T708 VanDerWaalsContact OG-OG1 3.06Å; T708-I710 PolarHBondContact O-N 3.27Å; T708-I711 PolarHBondContact O-N 2.86Å; T708-N712 WeakPolarHBondContact O-CB 3.29Å; T708-N712 PolarHBondContact O-N 2.85Å |
| 709 | E | 95.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.7 | -46.3 | -171.1 | -55.7 | 68 | -142.2 | 0 | 0 | 109.6 | H707 S713 | H707-E709 WeakPolarHBondContact CB-OE2 3.44Å; H707-E709 PolarHBondContact O-N 3Å; H707-E709 VanDerWaalsContact O-N 3.08Å; E709-S713 WeakPolarHBondContact O-CB 3.32Å; E709-S713 PolarHBondContact O-N 3.2Å; E709-S713 PolarHBondContact O-OG 2.85Å |
| 710 | I | 95.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 32% | 0.323 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.5 | -49.8 | 178.5 | -54 | -175.9 | 0 | 0 | 0 | 109.7 | L701 T705 H707 T708 N712 S713 F714 | L701-I710 HydrophobicContact CD1-CG2 4.41Å; T705-I710 HydrophobicContact CG2-CB 3.99Å; T705-I710 HydrophobicContact CG2-CG2 3.75Å; H707-I710 HydrophobicContact CB-CD1 4.35Å; H707-I710 HydrophobicContact CB-CG1 4.25Å; H707-I710 PolarHBondContact O-N 3.31Å; H707-I710 VanDerWaalsContact O-N 3.1Å; T708-I710 PolarHBondContact O-N 3.27Å; I710-N712 VanDerWaalsContact C-N 3.29Å; I710-N712 PolarHBondContact O-N 2.56Å; I710-S713 PolarHBondContact O-N 2.94Å; I710-S713 PolarHBondContact O-OG 2.88Å; I710-F714 HydrophobicContact CG2-CD2 3.81Å; I710-F714 HydrophobicContact CG2-CE2 3.83Å; I710-F714 WeakPolarHBondContact O-CD2 3.43Å; I710-F714 PolarHBondContact O-N 3.12Å; I710-F714 VanDerWaalsContact O-N 3.17Å |
| 711 | I | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | -179.5 | -56.3 | 147.9 | 0 | 0 | 0 | 111.6 | A666 L669 L673 I683 T705 H707 T708 G715 L743 | A666-I711 HydrophobicContact CB-CB 4.33Å; A666-I711 HydrophobicContact CB-CG2 3.95Å; L669-I711 HydrophobicContact CB-CG2 4.22Å; L669-I711 HydrophobicContact CD2-CG2 3.91Å; L669-I711 HydrophobicContact CG-CG2 4.28Å; L673-I711 HydrophobicContact CD1-CD1 3.3Å; L673-I711 HydrophobicContact CD1-CG1 4.02Å; I683-I711 HydrophobicContact CD1-CG2 3.96Å; I683-I711 WeakPolarHBondContact CD1-O 3.09Å; T705-I711 HydrophobicContact CG2-CG1 4.05Å; H707-I711 VanDerWaalsContact O-CD1 3.25Å; H707-I711 WeakPolarHBondContact O-CD1 3.06Å; H707-I711 WeakPolarHBondContact O-CG1 3.38Å; H707-I711 PolarHBondContact O-N 3.09Å; H707-I711 VanDerWaalsContact O-N 3.1Å; T708-I711 PolarHBondContact O-N 2.86Å; I711-G715 WeakPolarHBondContact O-CA 3.32Å; I711-G715 PolarHBondContact O-N 3.09Å; I711-L743 HydrophobicContact CG2-CD1 4.39Å |
| 712 | N | 98 | Very high | 95.1 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 177.9 | -171.9 | 21.1 | 0 | 0 | 0 | 110.7 | E663 A666 T708 I710 G715 R716 | E663-N712 WeakPolarHBondContact CA-OD1 3.29Å; E663-N712 WeakPolarHBondContact CB-OD1 3.29Å; E663-N712 PolarHBondContact OE1-ND2 3.03Å; A666-N712 HydrophobicContact CB-CB 3.69Å; T708-N712 WeakPolarHBondContact O-CB 3.29Å; T708-N712 PolarHBondContact O-N 2.85Å; I710-N712 VanDerWaalsContact C-N 3.29Å; I710-N712 PolarHBondContact O-N 2.56Å; N712-G715 PolarHBondContact O-N 3.41Å; N712-R716 VanDerWaalsContact O-CB 3.27Å; N712-R716 WeakPolarHBondContact O-CB 3.49Å; N712-R716 VanDerWaalsContact O-CG 3.3Å; N712-R716 WeakPolarHBondContact O-CG 3.36Å; N712-R716 PolarHBondContact O-N 3.47Å; N712-R716 WeakPolarHBondContact OD1-CD 3.4Å; N712-R716 WeakPolarHBondContact OD1-CG 3.37Å; N712-R716 PolarHBondContact OD1-NE 2.71Å |
| 713 | S | 96.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.9 | -53.4 | 179.7 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | E709 I710 R716 E717 | E709-S713 WeakPolarHBondContact O-CB 3.32Å; E709-S713 PolarHBondContact O-N 3.2Å; E709-S713 PolarHBondContact O-OG 2.85Å; I710-S713 PolarHBondContact O-N 2.94Å; I710-S713 PolarHBondContact O-OG 2.88Å; S713-R716 PolarHBondContact O-N 2.82Å; S713-E717 PolarHBondContact O-N 3.08Å |
| 714 | F | 97.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.7 | -30.7 | 178.4 | -71.6 | -82.4 | 0 | 0 | 0 | 113.1 | I683 L701 P702 I710 E717 L718 | I683-F714 HydrophobicContact CD1-CB 4.28Å; I683-F714 HydrophobicContact CG2-CB 4.13Å; L701-F714 HydrophobicContact CD2-CB 3.63Å; L701-F714 HydrophobicContact CD2-CD1 3.66Å; L701-F714 HydrophobicContact CD2-CD2 3.42Å; L701-F714 VanDerWaalsContact CD2-CD2 3.42Å; L701-F714 HydrophobicContact CD2-CE1 4.09Å; L701-F714 HydrophobicContact CD2-CE2 3.89Å; L701-F714 HydrophobicContact CD2-CG 3.28Å; L701-F714 HydrophobicContact CD2-CZ 4.19Å; P702-F714 HydrophobicContact CG-CZ 4.31Å; I710-F714 HydrophobicContact CG2-CD2 3.81Å; I710-F714 HydrophobicContact CG2-CE2 3.83Å; I710-F714 WeakPolarHBondContact O-CD2 3.43Å; I710-F714 PolarHBondContact O-N 3.12Å; I710-F714 VanDerWaalsContact O-N 3.17Å; F714-E717 PolarHBondContact O-N 2.71Å; F714-L718 PolarHBondContact O-N 3.39Å |
| 715 | G | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C662 I711 N712 L719 | C662-G715 PolarHBondContact SG-O 3.41Å; I711-G715 WeakPolarHBondContact O-CA 3.32Å; I711-G715 PolarHBondContact O-N 3.09Å; N712-G715 PolarHBondContact O-N 3.41Å; G715-L719 WeakPolarHBondContact O-CB 3.34Å; G715-L719 PolarHBondContact O-N 3.12Å |
| 716 | R | 97.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 25% | 0.249 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.3 | -33.2 | 173.7 | -73.3 | -175.7 | 161.7 | 165.3 | -1.8 | 112.3 | M659 C662 E663 N712 S713 L719 R720 | M659-R716 VanDerWaalsContact C-NH2 3.35Å; M659-R716 PolarHBondContact O-NE 3.49Å; M659-R716 PolarHBondContact O-NH2 3.48Å; M659-R716 HydrophobicContact SD-CB 3.68Å; M659-R716 HydrophobicContact SD-CG 3.54Å; M659-R716 VanDerWaalsContact SD-CG 3.54Å; C662-R716 HydrophobicContact CB-CG 4.18Å; E663-R716 IonicContact OE1-CZ 3.33Å; E663-R716 IonicContact OE1-NH1 2.98Å; E663-R716 PolarHBondContact OE1-NH1 2.79Å; E663-R716 IonicContact OE1-NH2 3.26Å; E663-R716 PolarHBondContact OE1-NH2 3.22Å; E663-R716 VanDerWaalsContact OE1-NH2 3.16Å; E663-R716 IonicContact OE2-CZ 3.75Å; E663-R716 IonicContact OE2-NH1 3.95Å; E663-R716 IonicContact OE2-NH2 3.16Å; E663-R716 PolarHBondContact OE2-NH2 3.34Å; N712-R716 VanDerWaalsContact O-CB 3.27Å; N712-R716 WeakPolarHBondContact O-CB 3.49Å; N712-R716 VanDerWaalsContact O-CG 3.3Å; N712-R716 WeakPolarHBondContact O-CG 3.36Å; N712-R716 PolarHBondContact O-N 3.47Å; N712-R716 WeakPolarHBondContact OD1-CD 3.4Å; N712-R716 WeakPolarHBondContact OD1-CG 3.37Å; N712-R716 PolarHBondContact OD1-NE 2.71Å; S713-R716 PolarHBondContact O-N 2.82Å; R716-L719 PolarHBondContact O-N 3.1Å; R716-R720 WeakPolarHBondContact O-CB 3.37Å; R716-R720 PolarHBondContact O-N 2.93Å |
| 717 | E | 97.2 | Very high | 94.5 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -56.1 | 172.1 | -179.1 | 161.8 | -111.2 | 0 | 0 | 111.4 | Q699 S713 F714 L719 R720 E721 | Q699-E717 PolarHBondContact NE2-OE2 3.22Å; S713-E717 PolarHBondContact O-N 3.08Å; F714-E717 PolarHBondContact O-N 2.71Å; E717-L719 PolarHBondContact O-N 3.22Å; E717-L719 VanDerWaalsContact O-N 3.15Å; E717-R720 WeakPolarHBondContact O-CB 3.41Å; E717-R720 PolarHBondContact O-N 2.89Å; E717-E721 WeakPolarHBondContact O-CG 3.44Å; E717-E721 PolarHBondContact O-N 3.5Å |
| 718 | L | 97.9 | Very high | 94 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -31.7 | 176.1 | -74.4 | -176.6 | 0 | 0 | 0 | 113.5 | I683 L685 R697 Q699 F714 E722 | I683-L718 HydrophobicContact CG2-CD1 4.06Å; L685-L718 HydrophobicContact CB-CB 3.99Å; L685-L718 HydrophobicContact CB-CD1 4.05Å; L685-L718 HydrophobicContact CD2-CB 3.95Å; R697-L718 HydrophobicContact CB-CB 4.46Å; R697-L718 HydrophobicContact CB-CD1 4.36Å; R697-L718 HydrophobicContact CB-CD2 3.94Å; Q699-L718 HydrophobicContact CB-CD1 4.22Å; Q699-L718 HydrophobicContact CB-CD2 4.03Å; Q699-L718 HydrophobicContact CB-CG 4.31Å; F714-L718 PolarHBondContact O-N 3.39Å; L718-E722 PolarHBondContact O-N 2.85Å |
| 719 | L | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.5 | -44.6 | 176.5 | -179.7 | 61.8 | 0 | 0 | 0 | 111.5 | L658 M659 C662 L685 M687 G715 R716 E717 E721 E722 M723 L736 L738 M741 | L658-L719 HydrophobicContact CB-CD2 4.27Å; M659-L719 HydrophobicContact CE-CB 4.36Å; M659-L719 HydrophobicContact CE-CD2 4.06Å; M659-L719 HydrophobicContact CE-CG 4.11Å; M659-L719 HydrophobicContact CG-CD2 4.38Å; M659-L719 HydrophobicContact SD-CD2 3.9Å; C662-L719 HydrophobicContact CB-CD2 3.95Å; L685-L719 VanDerWaalsContact CD2-CA 3.46Å; L685-L719 HydrophobicContact CD2-CB 3.75Å; L685-L719 HydrophobicContact CD2-CD1 4.14Å; M687-L719 HydrophobicContact SD-CD1 4.34Å; G715-L719 WeakPolarHBondContact O-CB 3.34Å; G715-L719 PolarHBondContact O-N 3.12Å; R716-L719 PolarHBondContact O-N 3.1Å; E717-L719 PolarHBondContact O-N 3.22Å; E717-L719 VanDerWaalsContact O-N 3.15Å; L719-E721 VanDerWaalsContact C-N 3.32Å; L719-E721 PolarHBondContact O-N 2.77Å; L719-E722 PolarHBondContact O-N 3.41Å; L719-M723 HydrophobicContact CD1-CE 3.96Å; L719-M723 HydrophobicContact CD2-CE 4.01Å; L719-M723 HydrophobicContact CG-CE 3.75Å; L719-M723 HydrophobicContact CG-SD 4.17Å; L719-M723 VanDerWaalsContact O-CG 3.26Å; L719-M723 WeakPolarHBondContact O-CG 3.36Å; L719-M723 PolarHBondContact O-N 2.92Å; L719-L736 HydrophobicContact CD1-CD2 4.43Å; L719-L738 HydrophobicContact CD1-CD1 4.41Å; L719-M741 HydrophobicContact CD1-CE 3.68Å; L719-M741 HydrophobicContact CD2-CE 3.57Å; L719-M741 HydrophobicContact CD2-SD 4.21Å; L719-M741 HydrophobicContact CG-CE 4.29Å |
| 720 | R | 95.6 | Very high | 91.9 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.6 | -171.6 | -173.7 | 66.7 | 83.6 | 3.7 | 111.2 | M659 R716 E717 M723 V724 | M659-R720 HydrophobicContact CE-CB 4.04Å; R716-R720 WeakPolarHBondContact O-CB 3.37Å; R716-R720 PolarHBondContact O-N 2.93Å; E717-R720 WeakPolarHBondContact O-CB 3.41Å; E717-R720 PolarHBondContact O-N 2.89Å; R720-M723 PolarHBondContact O-N 3.32Å; R720-V724 WeakPolarHBondContact O-CG2 3.2Å; R720-V724 PolarHBondContact O-N 2.76Å |
| 721 | E | 94.4 | Very high | 90.8 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 175 | -72.5 | -172.4 | 154.5 | 0 | 0 | 112.2 | E717 L719 M723 V724 A725 | E717-E721 WeakPolarHBondContact O-CG 3.44Å; E717-E721 PolarHBondContact O-N 3.5Å; L719-E721 VanDerWaalsContact C-N 3.32Å; L719-E721 PolarHBondContact O-N 2.77Å; E721-M723 VanDerWaalsContact C-N 3.34Å; E721-M723 PolarHBondContact O-N 3.47Å; E721-V724 PolarHBondContact O-N 2.73Å; E721-A725 WeakPolarHBondContact O-CB 3.5Å; E721-A725 PolarHBondContact O-N 2.88Å |
| 722 | E | 93.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.023 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.9 | -172.1 | 71.6 | -179.9 | 0 | 0 | 111.4 | M687 R695 R697 L718 L719 V724 A725 F726 L736 | M687-E722 HydrophobicContact CE-CB 3.88Å; M687-E722 HydrophobicContact CE-CG 3.74Å; M687-E722 HydrophobicContact SD-CB 4.03Å; M687-E722 HydrophobicContact SD-CG 3.85Å; R695-E722 WeakPolarHBondContact CD-OE1 3.23Å; R695-E722 IonicContact CZ-OE1 2.99Å; R695-E722 IonicContact NE-OE1 2.6Å; R695-E722 IonicContact NH1-OE1 2.77Å; R695-E722 PolarHBondContact NH1-OE1 2.86Å; R697-E722 IonicContact CZ-OE2 3.41Å; R697-E722 IonicContact NE-OE2 2.65Å; R697-E722 PolarHBondContact NE-OE2 3.46Å; R697-E722 IonicContact NH2-OE1 2.68Å; R697-E722 PolarHBondContact NH2-OE1 3.26Å; R697-E722 IonicContact NH2-OE2 3.76Å; R697-E722 PolarHBondContact NH2-OE2 3Å; L718-E722 PolarHBondContact O-N 2.85Å; L719-E722 PolarHBondContact O-N 3.41Å; E722-V724 PolarHBondContact O-N 2.81Å; E722-A725 PolarHBondContact O-N 2.97Å; E722-F726 VanDerWaalsContact O-CB 3.3Å; E722-F726 WeakPolarHBondContact O-CB 3.26Å; E722-F726 PolarHBondContact O-N 2.6Å; E722-L736 HydrophobicContact CB-CD2 4.15Å; E722-L736 HydrophobicContact CG-CD1 4.06Å; E722-L736 HydrophobicContact CG-CD2 3.83Å |
| 723 | M | 92.7 | Very high | 88.1 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 174.1 | -73.6 | 169.7 | 170 | 0 | 0 | 111.9 | E655 L658 M659 L719 R720 E721 F726 K727 L736 | E655-M723 HydrophobicContact CB-CE 4.02Å; E655-M723 HydrophobicContact CB-SD 4.27Å; E655-M723 HydrophobicContact CG-CE 3.86Å; E655-M723 HydrophobicContact CG-SD 3.93Å; L658-M723 HydrophobicContact CB-CE 3.77Å; L658-M723 HydrophobicContact CD1-CE 3.79Å; L658-M723 HydrophobicContact CG-CE 4.45Å; M659-M723 HydrophobicContact CE-CE 4.38Å; M659-M723 HydrophobicContact CE-SD 3.87Å; L719-M723 HydrophobicContact CD1-CE 3.96Å; L719-M723 HydrophobicContact CD2-CE 4.01Å; L719-M723 HydrophobicContact CG-CE 3.75Å; L719-M723 HydrophobicContact CG-SD 4.17Å; L719-M723 VanDerWaalsContact O-CG 3.26Å; L719-M723 WeakPolarHBondContact O-CG 3.36Å; L719-M723 PolarHBondContact O-N 2.92Å; R720-M723 PolarHBondContact O-N 3.32Å; E721-M723 VanDerWaalsContact C-N 3.34Å; E721-M723 PolarHBondContact O-N 3.47Å; M723-F726 PolarHBondContact O-N 2.85Å; M723-K727 VanDerWaalsContact O-CG 3.32Å; M723-K727 WeakPolarHBondContact O-CG 3.14Å; M723-K727 PolarHBondContact O-N 2.89Å; M723-L736 HydrophobicContact CG-CB 4.46Å; M723-L736 HydrophobicContact CG-CD2 3.76Å |
| 724 | V | 90.8 | Very high | 87.3 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 47% | 0.473 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | R720 E721 E722 F726 K727 S728 | R720-V724 WeakPolarHBondContact O-CG2 3.2Å; R720-V724 PolarHBondContact O-N 2.76Å; E721-V724 PolarHBondContact O-N 2.73Å; E722-V724 PolarHBondContact O-N 2.81Å; V724-F726 VanDerWaalsContact C-N 3.27Å; V724-F726 PolarHBondContact O-N 3.24Å; V724-K727 PolarHBondContact O-N 3.45Å; V724-S728 WeakPolarHBondContact O-CB 3.43Å; V724-S728 PolarHBondContact O-N 3.37Å; V724-S728 PolarHBondContact O-OG 3.03Å |
| 725 | A | 88.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -34.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E721 E722 S728 N729 | E721-A725 WeakPolarHBondContact O-CB 3.5Å; E721-A725 PolarHBondContact O-N 2.88Å; E722-A725 PolarHBondContact O-N 2.97Å; A725-S728 WeakPolarHBondContact CA-OG 3.2Å; A725-S728 PolarHBondContact O-OG 3.44Å; A725-N729 PolarHBondContact O-N 3.35Å |
| 726 | F | 85.7 | Confident | 86.5 | Confident | 18 Ų | 18 | 67 Ų | 67 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.2 | -45.9 | 175.3 | -142.8 | -94.4 | 0 | 0 | 0 | 111.1 | L689 E722 M723 V724 S728 N729 V732 K734 L736 | L689-F726 HydrophobicContact CD2-CE2 3.89Å; L689-F726 HydrophobicContact CD2-CZ 4.15Å; E722-F726 VanDerWaalsContact O-CB 3.3Å; E722-F726 WeakPolarHBondContact O-CB 3.26Å; E722-F726 PolarHBondContact O-N 2.6Å; M723-F726 PolarHBondContact O-N 2.85Å; V724-F726 VanDerWaalsContact C-N 3.27Å; V724-F726 PolarHBondContact O-N 3.24Å; F726-S728 VanDerWaalsContact C-N 3.29Å; F726-S728 PolarHBondContact O-N 3.44Å; F726-N729 PolarHBondContact O-N 3.05Å; F726-V732 HydrophobicContact CD1-CG1 4.08Å; F726-V732 HydrophobicContact CE1-CG1 3.43Å; F726-V732 VanDerWaalsContact CE1-CG1 3.43Å; F726-V732 HydrophobicContact CZ-CG1 3.78Å; F726-K734 WeakPolarHBondContact CD1-O 3.21Å; F726-K734 VanDerWaalsContact CE1-O 3.23Å; F726-K734 WeakPolarHBondContact CE1-O 3.31Å; F726-L736 HydrophobicContact CB-CB 4.13Å; F726-L736 HydrophobicContact CB-CD1 4.47Å; F726-L736 HydrophobicContact CD1-CB 4.22Å; F726-L736 HydrophobicContact CD2-CD1 3.6Å; F726-L736 HydrophobicContact CE2-CD1 3.86Å; F726-L736 HydrophobicContact CG-CB 4.07Å; F726-L736 HydrophobicContact CG-CD1 4.01Å; F726-L736 HydrophobicContact CZ-CD1 4.46Å |
| 727 | K | 84.2 | Confident | 86.3 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -33 | 174.6 | -73.3 | 172 | -178.1 | 174.5 | 0 | 112.9 | E655 M723 V724 N729 | E655-K727 WeakPolarHBondContact OE1-CE 3.19Å; E655-K727 IonicContact OE1-NZ 2.64Å; E655-K727 PolarHBondContact OE1-NZ 3.25Å; E655-K727 IonicContact OE2-NZ 3.03Å; E655-K727 PolarHBondContact OE2-NZ 2.98Å; M723-K727 VanDerWaalsContact O-CG 3.32Å; M723-K727 WeakPolarHBondContact O-CG 3.14Å; M723-K727 PolarHBondContact O-N 2.89Å; V724-K727 PolarHBondContact O-N 3.45Å; K727-N729 VanDerWaalsContact C-N 3.34Å |
| 728 | S | 82.4 | Confident | 86.2 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.9 | -178.5 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | V724 A725 F726 P730 | V724-S728 WeakPolarHBondContact O-CB 3.43Å; V724-S728 PolarHBondContact O-N 3.37Å; V724-S728 PolarHBondContact O-OG 3.03Å; A725-S728 WeakPolarHBondContact CA-OG 3.2Å; A725-S728 PolarHBondContact O-OG 3.44Å; F726-S728 VanDerWaalsContact C-N 3.29Å; F726-S728 PolarHBondContact O-N 3.44Å; S728-P730 VanDerWaalsContact O-CD 3.29Å; S728-P730 WeakPolarHBondContact O-CD 3.39Å |
| 729 | N | 79.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | trans | -87.5 | 109.1 | -175.2 | -174.3 | -15.6 | 0 | 0 | 0 | 111.2 | A725 F726 K727 A731 V732 | A725-N729 PolarHBondContact O-N 3.35Å; F726-N729 PolarHBondContact O-N 3.05Å; K727-N729 VanDerWaalsContact C-N 3.34Å; N729-A731 PolarHBondContact O-N 3.12Å; N729-A731 WeakPolarHBondContact OD1-CB 3.44Å; N729-A731 PolarHBondContact OD1-N 2.9Å; N729-V732 HydrophobicContact CB-CG2 4.46Å; N729-V732 PolarHBondContact O-N 3.14Å | ||
| 730 | P | 71.3 | Confident | 85.6 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 88% | 0.877 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.8 | -176 | 28.5 | -36.3 | 0 | 0 | 0 | 113.9 | S728 V732 | S728-P730 VanDerWaalsContact O-CD 3.29Å; S728-P730 WeakPolarHBondContact O-CD 3.39Å; P730-V732 VanDerWaalsContact C-N 3.35Å |
| 731 | A | 72.2 | Confident | 85.7 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N729 | N729-A731 PolarHBondContact O-N 3.12Å; N729-A731 WeakPolarHBondContact OD1-CB 3.44Å; N729-A731 PolarHBondContact OD1-N 2.9Å |
| 732 | V | 67 | Low | 85.8 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | trans | -132.9 | 82.3 | -170.8 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | F726 N729 P730 K734 | F726-V732 HydrophobicContact CD1-CG1 4.08Å; F726-V732 HydrophobicContact CE1-CG1 3.43Å; F726-V732 VanDerWaalsContact CE1-CG1 3.43Å; F726-V732 HydrophobicContact CZ-CG1 3.78Å; N729-V732 HydrophobicContact CB-CG2 4.46Å; N729-V732 PolarHBondContact O-N 3.14Å; P730-V732 VanDerWaalsContact C-N 3.35Å; V732-K734 PolarHBondContact O-N 3.44Å | ||
| 733 | N | 71.4 | Confident | 86 | Confident | 173 Ų | 173 | 52.5 Ų | 52.5 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | trans | -77.3 | 53.6 | 178.3 | -166.5 | 21.9 | 0 | 0 | 0 | 113.2 | ||||
| 734 | K | 80.2 | Confident | 86.2 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 41% | 0.409 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -153.3 | 140.3 | -179.6 | -169.5 | -170.6 | -179.3 | -158.2 | 0 | 110.1 | D690 F726 V732 T737 | D690-K734 IonicContact OD1-NZ 3.09Å; D690-K734 PolarHBondContact OD1-NZ 2.81Å; D690-K734 VanDerWaalsContact OD1-NZ 3.16Å; D690-K734 IonicContact OD2-NZ 2.76Å; D690-K734 PolarHBondContact OD2-NZ 3.2Å; F726-K734 WeakPolarHBondContact CD1-O 3.21Å; F726-K734 VanDerWaalsContact CE1-O 3.23Å; F726-K734 WeakPolarHBondContact CE1-O 3.31Å; V732-K734 PolarHBondContact O-N 3.44Å; K734-T737 WeakPolarHBondContact CE-OG1 3.27Å; K734-T737 PolarHBondContact NZ-OG1 2.75Å |
| 735 | P | 85.9 | Confident | 86.5 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | trans | -65.1 | 157.6 | 173.3 | 28.4 | -37 | 0 | 0 | 0 | 112.9 | T737 | P735-T737 PolarHBondContact O-N 3.35Å; P735-T737 PolarHBondContact O-OG1 2.89Å | ||
| 736 | L | 92.2 | Very high | 86.7 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -58 | 99.3 | 178.4 | -179.3 | 66.2 | 0 | 0 | 0 | 110.5 | M687 L719 E722 M723 F726 L738 | M687-L736 HydrophobicContact SD-CD2 4.38Å; L719-L736 HydrophobicContact CD1-CD2 4.43Å; E722-L736 HydrophobicContact CB-CD2 4.15Å; E722-L736 HydrophobicContact CG-CD1 4.06Å; E722-L736 HydrophobicContact CG-CD2 3.83Å; M723-L736 HydrophobicContact CG-CB 4.46Å; M723-L736 HydrophobicContact CG-CD2 3.76Å; F726-L736 HydrophobicContact CB-CB 4.13Å; F726-L736 HydrophobicContact CB-CD1 4.47Å; F726-L736 HydrophobicContact CD1-CB 4.22Å; F726-L736 HydrophobicContact CD2-CD1 3.6Å; F726-L736 HydrophobicContact CE2-CD1 3.86Å; F726-L736 HydrophobicContact CG-CB 4.07Å; F726-L736 HydrophobicContact CG-CD1 4.01Å; F726-L736 HydrophobicContact CZ-CD1 4.46Å; L736-L738 HydrophobicContact CD1-CD2 3.97Å; L736-L738 HydrophobicContact CG-CD2 4.09Å; L736-L738 HydrophobicContact CG-CG 4.22Å | ||
| 737 | T | 93.7 | Very high | 86.9 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | trans | -99.5 | 112.5 | -176.8 | -44 | 0 | 0 | 0 | 0 | 110 | D651 T652 L689 D690 K734 P735 | D651-T737 HydrophobicContact CB-CG2 4.29Å; T652-T737 CarbonylContact O-C 3.04Å; T652-T737 WeakPolarHBondContact O-CA 3.4Å; L689-T737 CarbonylContact C-O 3.09Å; L689-T737 VanDerWaalsContact CA-O 3.31Å; L689-T737 WeakPolarHBondContact CA-O 3.48Å; D690-T737 HydrophobicContact CB-CG2 3.86Å; D690-T737 PolarHBondContact N-O 2.81Å; K734-T737 WeakPolarHBondContact CE-OG1 3.27Å; K734-T737 PolarHBondContact NZ-OG1 2.75Å; P735-T737 PolarHBondContact O-N 3.35Å; P735-T737 PolarHBondContact O-OG1 2.89Å | ||
| 738 | L | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.1 | -179.2 | -57.2 | -173.6 | 0 | 0 | 0 | 111.3 | F649 T652 L658 M687 L689 L719 L736 M741 | F649-L738 HydrophobicContact CE2-CB 4.1Å; F649-L738 WeakPolarHBondContact CE2-O 3.35Å; F649-L738 HydrophobicContact CZ-CB 4.32Å; T652-L738 PolarHBondContact N-O 3.27Å; T652-L738 PolarHBondContact O-N 3.35Å; L658-L738 HydrophobicContact CD2-CB 4.04Å; L658-L738 HydrophobicContact CD2-CD1 4.15Å; L658-L738 HydrophobicContact CD2-CG 4.38Å; M687-L738 HydrophobicContact CB-CD1 4.19Å; M687-L738 HydrophobicContact CB-CD2 3.89Å; M687-L738 HydrophobicContact CG-CD1 3.79Å; M687-L738 HydrophobicContact CG-CD2 4.34Å; M687-L738 HydrophobicContact SD-CD1 4.23Å; L689-L738 HydrophobicContact CD1-CD2 4.13Å; L689-L738 HydrophobicContact CG-CD2 4.26Å; L719-L738 HydrophobicContact CD1-CD1 4.41Å; L736-L738 HydrophobicContact CD1-CD2 3.97Å; L736-L738 HydrophobicContact CG-CD2 4.09Å; L736-L738 HydrophobicContact CG-CG 4.22Å; L738-M741 HydrophobicContact CD1-CB 4.28Å; L738-M741 HydrophobicContact CD1-CE 3.98Å |
| 739 | R | 90.6 | Very high | 86.9 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -6.5 | 169.4 | 75.2 | -172.3 | -50.6 | 100.1 | 27.8 | 112.8 | T648 F649 D651 K688 L689 D690 | T648-R739 WeakPolarHBondContact CA-O 3.32Å; F649-R739 PolarHBondContact N-O 3.1Å; F649-R739 VanDerWaalsContact O-O 3.11Å; D651-R739 VanDerWaalsContact CG-NH1 3.27Å; D651-R739 IonicContact OD1-CZ 3.58Å; D651-R739 IonicContact OD1-NE 2.76Å; D651-R739 IonicContact OD1-NH1 3.95Å; D651-R739 PolarHBondContact OD1-NH1 3.44Å; D651-R739 IonicContact OD1-NH2 2.76Å; D651-R739 PolarHBondContact OD1-NH2 2.94Å; D651-R739 IonicContact OD2-CZ 3.3Å; D651-R739 IonicContact OD2-NH1 3.73Å; D651-R739 PolarHBondContact OD2-NH1 2.72Å; D651-R739 IonicContact OD2-NH2 3.27Å; K688-R739 HydrophobicContact CD-CG 4.28Å; K688-R739 HydrophobicContact CG-CG 4.17Å; K688-R739 PolarHBondContact O-N 2.91Å; L689-R739 VanDerWaalsContact O-CD 3.22Å; L689-R739 WeakPolarHBondContact O-CD 3.4Å; L689-R739 WeakPolarHBondContact O-CG 3.24Å; D690-R739 PolarHBondContact O-NH1 2.81Å |
| 740 | L | 93 | Very high | 87 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 132.2 | 175.9 | 163.6 | 176.9 | 0 | 0 | 0 | 108.4 | F150 E646 R647 K688 | F150-L740 HydrophobicContact CE1-CD1 4.11Å; F150-L740 HydrophobicContact CZ-CD1 4.41Å; E646-L740 HydrophobicContact CB-CD2 4.28Å; E646-L740 HydrophobicContact CB-CG 4.42Å; E646-L740 HydrophobicContact CG-CD1 4.16Å; E646-L740 HydrophobicContact CG-CD2 3.95Å; E646-L740 HydrophobicContact CG-CG 3.83Å; E646-L740 WeakPolarHBondContact OE1-CD1 3.26Å; R647-L740 WeakPolarHBondContact O-CA 3.21Å; R647-L740 WeakPolarHBondContact O-CB 3.32Å; K688-L740 HydrophobicContact CB-CB 4.01Å; K688-L740 HydrophobicContact CB-CD1 4.46Å; K688-L740 HydrophobicContact CB-CD2 3.94Å; K688-L740 HydrophobicContact CB-CG 4.36Å; K688-L740 HydrophobicContact CD-CD1 4.28Å; K688-L740 PolarHBondContact N-O 3.04Å; K688-L740 PolarHBondContact O-N 3.02Å |
| 741 | M | 96.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.6 | 172.6 | 178.4 | -164.3 | -58.9 | 0 | 0 | 107.7 | E646 R647 F649 L658 C662 L665 L685 K686 L719 L738 | E646-M741 WeakPolarHBondContact CA-O 3.31Å; E646-M741 WeakPolarHBondContact CB-O 3.45Å; R647-M741 PolarHBondContact N-O 2.74Å; F649-M741 HydrophobicContact CE1-CB 3.99Å; F649-M741 VanDerWaalsContact CE1-N 3.34Å; F649-M741 HydrophobicContact CZ-CB 3.75Å; L658-M741 HydrophobicContact CB-CE 3.86Å; L658-M741 HydrophobicContact CD2-CE 3.76Å; L658-M741 HydrophobicContact CG-CE 4.37Å; L658-M741 VanDerWaalsContact O-CE 3.3Å; L658-M741 WeakPolarHBondContact O-CE 3.19Å; C662-M741 HydrophobicContact CB-SD 3.77Å; L665-M741 HydrophobicContact CD1-CB 4.24Å; L665-M741 HydrophobicContact CD1-CG 4.13Å; L665-M741 WeakPolarHBondContact CD1-O 3.41Å; L665-M741 HydrophobicContact CD1-SD 4.23Å; L685-M741 HydrophobicContact CD1-CG 3.71Å; L685-M741 HydrophobicContact CD1-SD 4.13Å; K686-M741 CarbonylContact O-C 3.45Å; L719-M741 HydrophobicContact CD1-CE 3.68Å; L719-M741 HydrophobicContact CD2-CE 3.57Å; L719-M741 HydrophobicContact CD2-SD 4.21Å; L719-M741 HydrophobicContact CG-CE 4.29Å; L738-M741 HydrophobicContact CD1-CB 4.28Å; L738-M741 HydrophobicContact CD1-CE 3.98Å |
| 742 | G | 96.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S129 V645 L685 K686 | S129-G742 VanDerWaalsContact OG-CA 3.28Å; S129-G742 WeakPolarHBondContact OG-CA 3.17Å; V645-G742 CarbonylContact O-C 3.5Å; V645-G742 WeakPolarHBondContact O-CA 3.23Å; L685-G742 CarbonylContact C-O 3.35Å; L685-G742 WeakPolarHBondContact CA-O 3.15Å; K686-G742 PolarHBondContact N-O 2.87Å; K686-G742 PolarHBondContact O-N 2.98Å |
| 743 | L | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 151 | 171.1 | -70.8 | 177.3 | 0 | 0 | 0 | 111.4 | S129 S644 V645 C662 L665 A666 L669 I683 T684 L685 I711 | S129-L743 PolarHBondContact OG-O 3.09Å; S644-L743 CarbonylContact C-O 2.8Å; S644-L743 VanDerWaalsContact C-O 3.3Å; S644-L743 WeakPolarHBondContact CA-O 3.34Å; S644-L743 WeakPolarHBondContact CB-O 3.26Å; V645-L743 PolarHBondContact N-O 2.77Å; V645-L743 PolarHBondContact O-N 2.72Å; C662-L743 WeakPolarHBondContact O-CD1 3.24Å; L665-L743 HydrophobicContact CB-CD1 4.23Å; L665-L743 HydrophobicContact CB-CG 4.43Å; A666-L743 HydrophobicContact CB-CD1 3.74Å; L669-L743 HydrophobicContact CD2-CB 3.72Å; I683-L743 HydrophobicContact CD1-CD2 4.46Å; T684-L743 CarbonylContact O-C 3.6Å; T684-L743 WeakPolarHBondContact O-CA 3.49Å; L685-L743 HydrophobicContact CB-CD2 4.38Å; L685-L743 HydrophobicContact CD1-CD2 3.74Å; I711-L743 HydrophobicContact CG2-CD1 4.39Å |
| 744 | R | 97.6 | Very high | 87.2 | Confident | 65 Ų | 65 | 28.3 Ų | 28.3 | 25% | 0.245 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 124.5 | -179.1 | 175.7 | -169.8 | 84.7 | 155 | -1 | 112.8 | M643 I683 T684 | M643-R744 CarbonylContact O-C 3.56Å; M643-R744 WeakPolarHBondContact O-CA 3.31Å; I683-R744 CarbonylContact C-O 3.54Å; I683-R744 VanDerWaalsContact C-O 3.3Å; I683-R744 WeakPolarHBondContact CA-O 3.48Å; T684-R744 VanDerWaalsContact CB-NE 3.35Å; T684-R744 HydrophobicContact CG2-CB 4.47Å; T684-R744 PolarHBondContact N-O 2.93Å; T684-R744 PolarHBondContact O-N 2.69Å; T684-R744 PolarHBondContact OG1-NE 2.9Å; T684-R744 PolarHBondContact OG1-NH2 2.81Å |
| 745 | M | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 154.9 | 163.5 | -62.6 | -45.9 | -65.6 | 0 | 0 | 111.9 | F166 S642 M643 L669 L673 G680 L682 I683 L701 | F166-M745 HydrophobicContact CE2-CB 4.19Å; S642-M745 CarbonylContact C-O 3.31Å; S642-M745 WeakPolarHBondContact CA-O 3.35Å; M643-M745 PolarHBondContact N-O 3.3Å; M643-M745 PolarHBondContact O-N 2.86Å; L669-M745 HydrophobicContact CD2-CG 4.1Å; L673-M745 HydrophobicContact CD1-CG 3.78Å; L673-M745 HydrophobicContact CD2-CB 4.16Å; L673-M745 HydrophobicContact CD2-CG 4Å; G680-M745 VanDerWaalsContact C-CE 3.45Å; G680-M745 VanDerWaalsContact O-CE 3.23Å; G680-M745 WeakPolarHBondContact O-CE 3.4Å; L682-M745 CarbonylContact O-C 3.52Å; L682-M745 VanDerWaalsContact O-CA 3.28Å; L682-M745 WeakPolarHBondContact O-CA 3.35Å; I683-M745 HydrophobicContact CB-CE 4.07Å; I683-M745 HydrophobicContact CB-SD 3.63Å; I683-M745 HydrophobicContact CD1-SD 4.07Å; I683-M745 HydrophobicContact CG1-SD 3.7Å; L701-M745 HydrophobicContact CD1-CE 3.54Å; L701-M745 HydrophobicContact CG-CE 4.31Å |
| 746 | S | 93.5 | Very high | 84.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 164.8 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | S642 Q681 L682 | S642-S746 WeakPolarHBondContact CA-OG 3.15Å; S642-S746 WeakPolarHBondContact CB-OG 3.22Å; Q681-S746 PolarHBondContact N-O 2.88Å; L682-S746 PolarHBondContact N-O 2.86Å; L682-S746 PolarHBondContact O-N 3.41Å |
| 747 | N | 89.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 104.2 | -176.1 | 180 | 33.5 | 0 | 0 | 0 | 115.9 | Q681 L682 Y704 | Q681-N747 PolarHBondContact N-O 3.48Å; Q681-N747 VanDerWaalsContact N-O 3.12Å; Q681-N747 PolarHBondContact OE1-ND2 3.32Å; L682-N747 HydrophobicContact CB-CB 4.47Å; Y704-N747 WeakPolarHBondContact CE1-O 3.26Å; Y704-N747 PolarHBondContact OH-ND2 3.44Å; Y704-N747 PolarHBondContact OH-OD1 2.96Å |
| 748 | L | 86.7 | Confident | 80.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 163.3 | -156.1 | -47.4 | 164.6 | 0 | 0 | 0 | 116.8 | Y107 F166 V167 L638 M643 K679 Y704 | Y107-L748 HydrophobicContact CE2-CD1 3.4Å; Y107-L748 WeakPolarHBondContact OH-CD1 3.26Å; F166-L748 HydrophobicContact CB-CB 3.47Å; F166-L748 VanDerWaalsContact CB-CB 3.47Å; F166-L748 HydrophobicContact CB-CD1 3.67Å; F166-L748 HydrophobicContact CB-CD2 3.96Å; F166-L748 HydrophobicContact CB-CG 3.46Å; F166-L748 VanDerWaalsContact CB-CG 3.46Å; F166-L748 HydrophobicContact CD1-CB 2.63Å; F166-L748 HydrophobicContact CD1-CD1 2.28Å; F166-L748 HydrophobicContact CD1-CD2 3.77Å; F166-L748 HydrophobicContact CD1-CG 2.32Å; F166-L748 HydrophobicContact CD2-CB 3.6Å; F166-L748 HydrophobicContact CD2-CD1 2.29Å; F166-L748 HydrophobicContact CD2-CD2 2.57Å; F166-L748 HydrophobicContact CD2-CG 2.32Å; F166-L748 HydrophobicContact CE1-CB 3.09Å; F166-L748 HydrophobicContact CE1-CD1 2.31Å; F166-L748 HydrophobicContact CE1-CD2 3.86Å; F166-L748 HydrophobicContact CE1-CG 2.31Å; F166-L748 HydrophobicContact CE2-CB 3.96Å; F166-L748 HydrophobicContact CE2-CD1 2.29Å; F166-L748 HydrophobicContact CE2-CD2 2.72Å; F166-L748 HydrophobicContact CE2-CG 2.32Å; F166-L748 HydrophobicContact CG-CB 2.91Å; F166-L748 HydrophobicContact CG-CD1 2.3Å; F166-L748 HydrophobicContact CG-CD2 3.15Å; F166-L748 HydrophobicContact CG-CG 2.31Å; F166-L748 HydrophobicContact CZ-CB 3.74Å; F166-L748 HydrophobicContact CZ-CD1 2.3Å; F166-L748 HydrophobicContact CZ-CD2 3.41Å; F166-L748 VanDerWaalsContact CZ-CD2 3.41Å; F166-L748 HydrophobicContact CZ-CG 2.33Å; V167-L748 HydrophobicContact CG1-CB 4.23Å; L638-L748 HydrophobicContact CD1-CB 3.6Å; M643-L748 HydrophobicContact CB-CD1 3.96Å; M643-L748 HydrophobicContact CG-CD1 3.35Å; M643-L748 HydrophobicContact SD-CD1 3.5Å; M643-L748 VanDerWaalsContact SD-CD1 3.5Å; K679-L748 WeakPolarHBondContact O-CD2 3.27Å; Y704-L748 VanDerWaalsContact CE1-CA 3.46Å |
| 749 | L | 80.3 | Confident | 77.7 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | trans | -129.2 | -154.7 | -176 | -64.9 | 171.7 | 0 | 0 | 0 | 117.3 | V167 T170 Y704 C754 | V167-L749 WeakPolarHBondContact CA-O 3.4Å; V167-L749 WeakPolarHBondContact CB-O 3.5Å; V167-L749 HydrophobicContact CG1-CB 4.49Å; V167-L749 WeakPolarHBondContact CG1-O 3.22Å; T170-L749 VanDerWaalsContact CB-O 3.22Å; T170-L749 WeakPolarHBondContact CB-O 3.33Å; T170-L749 VanDerWaalsContact CG2-C 3.47Å; T170-L749 HydrophobicContact CG2-CB 4.19Å; T170-L749 HydrophobicContact CG2-CD2 3.9Å; T170-L749 PolarHBondContact N-O 3.22Å; Y704-L749 HydrophobicContact CD1-CD1 4.16Å; Y704-L749 HydrophobicContact CD1-CG 4.11Å; Y704-L749 HydrophobicContact CD2-CD1 4.04Å; Y704-L749 HydrophobicContact CE1-CD1 3.95Å; Y704-L749 HydrophobicContact CE1-CG 3.74Å; Y704-L749 HydrophobicContact CE2-CD1 3.85Å; Y704-L749 HydrophobicContact CG-CD1 4.22Å; L749-C754 HydrophobicContact CD1-CB 4.48Å | ||
| 750 | P | 80.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -84 | 174 | 132.2 | -41.9 | 37.1 | 0 | 0 | 0 | 124.8 | V167 T170 A171 E752 M753 C754 | V167-P750 VanDerWaalsContact C-CA 3.5Å; V167-P750 VanDerWaalsContact CG2-O 3.32Å; V167-P750 WeakPolarHBondContact CG2-O 3.47Å; V167-P750 CarbonylContact O-C 3.56Å; V167-P750 VanDerWaalsContact O-C 3.31Å; V167-P750 WeakPolarHBondContact O-CA 3.39Å; V167-P750 WeakPolarHBondContact O-CB 3.44Å; T170-P750 HydrophobicContact CG2-CG 4.3Å; A171-P750 HydrophobicContact CB-CB 4.45Å; A171-P750 HydrophobicContact CB-CG 3.5Å; A171-P750 VanDerWaalsContact CB-CG 3.5Å; P750-E752 VanDerWaalsContact C-N 3.28Å; P750-E752 HydrophobicContact CB-CB 3.63Å; P750-E752 HydrophobicContact CB-CG 4.18Å; P750-E752 WeakPolarHBondContact CB-OE2 3.42Å; P750-M753 HydrophobicContact CB-CB 3.63Å; P750-M753 HydrophobicContact CB-CG 3.67Å; P750-M753 HydrophobicContact CB-SD 4.16Å; P750-M753 VanDerWaalsContact CD-SD 3.57Å; P750-M753 HydrophobicContact CG-CB 3.92Å; P750-M753 HydrophobicContact CG-CE 4.41Å; P750-M753 HydrophobicContact CG-CG 3.74Å; P750-M753 HydrophobicContact CG-SD 3.56Å; P750-M753 VanDerWaalsContact CG-SD 3.56Å; P750-M753 CarbonylContact O-C 3.4Å; P750-M753 PolarHBondContact O-N 2.88Å; P750-C754 WeakPolarHBondContact O-CA 3.33Å; P750-C754 VanDerWaalsContact O-CB 3.29Å; P750-C754 WeakPolarHBondContact O-CB 3.48Å; P750-C754 PolarHBondContact O-N 3.26Å; P750-C754 PolarHBondContact O-SG 2.9Å | ||
| 751 | V | 76.9 | Confident | 74.8 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -40.2 | 164 | -152.2 | 0 | 0 | 0 | 0 | 105.8 | V167 H677 M753 Q756 | V167-V751 HydrophobicContact CG2-CB 4.21Å; V167-V751 HydrophobicContact CG2-CG2 3.71Å; V167-V751 PolarHBondContact O-N 2.95Å; H677-V751 HydrophobicContact CB-CG2 4.07Å; H677-V751 WeakPolarHBondContact O-CG2 3.3Å; V751-M753 PolarHBondContact O-N 3.48Å; V751-Q756 PolarHBondContact O-NE2 3.26Å; V751-Q756 VanDerWaalsContact O-NE2 3.08Å |
| 752 | E | 69.4 | Low | 73.6 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -11.8 | 162.6 | -43.7 | 85.6 | -92.5 | 0 | 0 | 114.8 | K168 P750 | K168-E752 WeakPolarHBondContact CG-OE2 3.31Å; P750-E752 VanDerWaalsContact C-N 3.28Å; P750-E752 HydrophobicContact CB-CB 3.63Å; P750-E752 HydrophobicContact CB-CG 4.18Å; P750-E752 WeakPolarHBondContact CB-OE2 3.42Å |
| 753 | M | 70.4 | Confident | 72.3 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.8 | -5.8 | -165.9 | -57.1 | 177.6 | -178.6 | 0 | 0 | 117 | T170 A171 R174 P750 V751 | T170-M753 HydrophobicContact CG2-SD 4.15Å; A171-M753 HydrophobicContact CB-CE 3.79Å; A171-M753 HydrophobicContact CB-SD 4.32Å; R174-M753 HydrophobicContact CB-CE 3.92Å; R174-M753 HydrophobicContact CB-SD 4.04Å; R174-M753 VanDerWaalsContact CD-SD 3.52Å; R174-M753 HydrophobicContact CG-CE 4.43Å; R174-M753 HydrophobicContact CG-SD 4.36Å; R174-M753 PolarHBondContact NE-SD 3.35Å; R174-M753 VanDerWaalsContact NH1-CG 3.28Å; R174-M753 PolarHBondContact NH1-SD 2.85Å; R174-M753 VanDerWaalsContact NH1-SD 3.38Å; P750-M753 HydrophobicContact CB-CB 3.63Å; P750-M753 HydrophobicContact CB-CG 3.67Å; P750-M753 HydrophobicContact CB-SD 4.16Å; P750-M753 VanDerWaalsContact CD-SD 3.57Å; P750-M753 HydrophobicContact CG-CB 3.92Å; P750-M753 HydrophobicContact CG-CE 4.41Å; P750-M753 HydrophobicContact CG-CG 3.74Å; P750-M753 HydrophobicContact CG-SD 3.56Å; P750-M753 VanDerWaalsContact CG-SD 3.56Å; P750-M753 CarbonylContact O-C 3.4Å; P750-M753 PolarHBondContact O-N 2.88Å; V751-M753 PolarHBondContact O-N 3.48Å |
| 754 | C | 68.8 | Low | 71.1 | Confident | 10 Ų | 10 | 76.7 Ų | 76.7 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -56.5 | 136.7 | 149.9 | -80.5 | 0 | 0 | 0 | 0 | 106.2 | K679 Y704 L749 P750 Q756 | K679-C754 HydrophobicContact CD-CB 4.41Å; Y704-C754 WeakPolarHBondContact CB-SG 3.47Å; L749-C754 HydrophobicContact CD1-CB 4.48Å; P750-C754 WeakPolarHBondContact O-CA 3.33Å; P750-C754 VanDerWaalsContact O-CB 3.29Å; P750-C754 WeakPolarHBondContact O-CB 3.48Å; P750-C754 PolarHBondContact O-N 3.26Å; P750-C754 PolarHBondContact O-SG 2.9Å; C754-Q756 PolarHBondContact O-N 3.13Å |
| 755 | P | 58.4 | Low | 70 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | trans | -62.2 | 100.3 | -179.1 | 24.6 | -33.2 | 0 | 0 | 0 | 110.5 | I757 | P755-I757 PolarHBondContact O-N 3.4Š| ||
| 756 | Q | 50.9 | Low | 69.2 | Low | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 41% | 0.409 | S | S | * | . | trans | -63.1 | -24.3 | 165.1 | -61.8 | -74.2 | -10.6 | 0 | 0 | 110.3 | V751 C754 R758 | V751-Q756 PolarHBondContact O-NE2 3.26Å; V751-Q756 VanDerWaalsContact O-NE2 3.08Å; C754-Q756 PolarHBondContact O-N 3.13Å; Q756-R758 PolarHBondContact O-N 3.38Å; Q756-R758 VanDerWaalsContact O-N 3.09Å | ||
| 757 | I | 45.2 | Very low | 68.4 | Low | 142 Ų | 142 | 87.6 Ų | 87.6 | 73% | 0.728 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -72.5 | 96.2 | 170 | -53.6 | 173.6 | 0 | 0 | 0 | 108 | P755 Q759 | P755-I757 PolarHBondContact O-N 3.4Å; I757-Q759 PolarHBondContact O-N 3.38Å |
| 758 | R | 48.1 | Very low | 67.7 | Low | 197 Ų | 197 | 89.6 Ų | 89.6 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | trans | -57.3 | 106.7 | 150.8 | -78.3 | -171.9 | 176.8 | -173.3 | 0.8 | 107.3 | Q756 R760 | Q756-R758 PolarHBondContact O-N 3.38Å; Q756-R758 VanDerWaalsContact O-N 3.09Å; R758-R760 PolarHBondContact O-N 2.96Å | ||
| 759 | Q | 46 | Very low | 67.1 | Low | 187 Ų | 187 | 91.5 Ų | 91.5 | 87% | 0.874 | 46% | 0.455 | S | S | * | . | trans | -62.7 | 108 | 158.8 | -173.9 | 172.1 | 9.1 | 0 | 0 | 105.7 | I757 | I757-Q759 PolarHBondContact O-N 3.38Š| ||
| 760 | R | 57.6 | Low | 67 | Low | 125 Ų | 125 | 95.3 Ų | 95.3 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | trans | -52.1 | 142.3 | -177.9 | -78 | -178.7 | -177.8 | 161.5 | -3.1 | 109.9 | R758 E764 F768 | R758-R760 PolarHBondContact O-N 2.96Å; R760-E764 VanDerWaalsContact CA-OE2 3.25Å; R760-E764 WeakPolarHBondContact CA-OE2 3.44Å; R760-E764 HydrophobicContact CB-CB 3.85Å; R760-E764 HydrophobicContact CG-CB 4.16Å; R760-F768 VanDerWaalsContact NH1-CD2 3.28Å | ||
| 761 | S | 65 | Low | 66.7 | Low | 47 Ų | 47 | 99.4 Ų | 99.4 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | trans | -59.4 | 159.7 | 170.4 | 94.4 | 0 | 0 | 0 | 0 | 109.9 | E763 E764 A765 | S761-E763 WeakPolarHBondContact CB-OE2 3.42Å; S761-E763 PolarHBondContact O-N 2.87Å; S761-E763 PolarHBondContact OG-N 3.31Å; S761-E763 PolarHBondContact OG-OE2 2.97Å; S761-E764 PolarHBondContact N-OE2 2.97Å; S761-E764 PolarHBondContact O-N 2.87Å; S761-E764 VanDerWaalsContact O-N 3.14Å; S761-E764 PolarHBondContact OG-N 3.38Å; S761-E764 VanDerWaalsContact OG-N 3.1Å; S761-A765 WeakPolarHBondContact O-CB 3.43Å; S761-A765 PolarHBondContact O-N 2.85Å | ||
| 762 | V | 69.4 | Low | 66.2 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -35.5 | 179.6 | 175 | 0 | 0 | 0 | 0 | 110.2 | A765 F766 | V762-A765 PolarHBondContact O-N 2.84Å; V762-F766 HydrophobicContact CG1-CD2 3.78Å; V762-F766 HydrophobicContact CG1-CE2 3.55Å; V762-F766 WeakPolarHBondContact O-CD2 3.49Å; V762-F766 PolarHBondContact O-N 3.31Å |
| 763 | E | 70.7 | Confident | 65.3 | Low | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -46.7 | 175 | -51.5 | 71 | -154.1 | 0 | 0 | 111.9 | S761 A765 F766 M767 | S761-E763 WeakPolarHBondContact CB-OE2 3.42Å; S761-E763 PolarHBondContact O-N 2.87Å; S761-E763 PolarHBondContact OG-N 3.31Å; S761-E763 PolarHBondContact OG-OE2 2.97Å; E763-A765 VanDerWaalsContact C-N 3.29Å; E763-A765 PolarHBondContact O-N 3.17Å; E763-F766 PolarHBondContact O-N 3.14Å; E763-M767 WeakPolarHBondContact O-CB 3.25Å; E763-M767 WeakPolarHBondContact O-CG 3.43Å; E763-M767 PolarHBondContact O-N 3.17Å |
| 764 | E | 72.5 | Confident | 64 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 174 | -74.4 | -176.5 | 144.2 | 0 | 0 | 112.2 | R760 S761 F768 | R760-E764 VanDerWaalsContact CA-OE2 3.25Å; R760-E764 WeakPolarHBondContact CA-OE2 3.44Å; R760-E764 HydrophobicContact CB-CB 3.85Å; R760-E764 HydrophobicContact CG-CB 4.16Å; S761-E764 PolarHBondContact N-OE2 2.97Å; S761-E764 PolarHBondContact O-N 2.87Å; S761-E764 VanDerWaalsContact O-N 3.14Å; S761-E764 PolarHBondContact OG-N 3.38Å; S761-E764 VanDerWaalsContact OG-N 3.1Å; E764-F768 WeakPolarHBondContact O-CB 3.49Å; E764-F768 PolarHBondContact O-N 3.07Å |
| 765 | A | 74.4 | Confident | 62.5 | Low | 48 Ų | 48 | 111.1 Ų | 111.1 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S761 V762 E763 F768 A769 | S761-A765 WeakPolarHBondContact O-CB 3.43Å; S761-A765 PolarHBondContact O-N 2.85Å; V762-A765 PolarHBondContact O-N 2.84Å; E763-A765 VanDerWaalsContact C-N 3.29Å; E763-A765 PolarHBondContact O-N 3.17Å; A765-F768 PolarHBondContact O-N 3.34Å; A765-A769 PolarHBondContact O-N 3.06Å |
| 766 | F | 78.9 | Confident | 61.3 | Low | 139 Ų | 139 | 112.3 Ų | 112.3 | 61% | 0.61 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.3 | -44.9 | 173.3 | -81.1 | -60.8 | 0 | 0 | 0 | 112.1 | V762 E763 F768 A769 I770 | V762-F766 HydrophobicContact CG1-CD2 3.78Å; V762-F766 HydrophobicContact CG1-CE2 3.55Å; V762-F766 WeakPolarHBondContact O-CD2 3.49Å; V762-F766 PolarHBondContact O-N 3.31Å; E763-F766 PolarHBondContact O-N 3.14Å; F766-F768 VanDerWaalsContact C-N 3.29Å; F766-F768 PolarHBondContact O-N 2.93Å; F766-A769 PolarHBondContact O-N 2.83Å; F766-I770 VanDerWaalsContact O-CG1 3.28Å; F766-I770 WeakPolarHBondContact O-CG1 3.49Å; F766-I770 PolarHBondContact O-N 3.19Å |
| 767 | M | 76.5 | Confident | 60.7 | Low | 115 Ų | 115 | 111.3 Ų | 111.3 | 57% | 0.567 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -55.7 | -43.6 | 175.4 | -84.2 | -60.4 | -53.8 | 0 | 0 | 112.3 | E763 T771 | E763-M767 WeakPolarHBondContact O-CB 3.25Å; E763-M767 WeakPolarHBondContact O-CG 3.43Å; E763-M767 PolarHBondContact O-N 3.17Å; M767-T771 WeakPolarHBondContact O-CB 3.31Å; M767-T771 PolarHBondContact O-N 2.98Å; M767-T771 PolarHBondContact O-OG1 3.32Å |
| 768 | F | 74.3 | Confident | 60 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 48% | 0.478 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.6 | -43.5 | 177.6 | -171.3 | -98.7 | 0 | 0 | 0 | 112.1 | R760 E764 A765 F766 I770 T771 S772 | R760-F768 VanDerWaalsContact NH1-CD2 3.28Å; E764-F768 WeakPolarHBondContact O-CB 3.49Å; E764-F768 PolarHBondContact O-N 3.07Å; A765-F768 PolarHBondContact O-N 3.34Å; F766-F768 VanDerWaalsContact C-N 3.29Å; F766-F768 PolarHBondContact O-N 2.93Å; F768-I770 VanDerWaalsContact C-N 3.33Å; F768-I770 PolarHBondContact O-N 3.32Å; F768-T771 PolarHBondContact O-N 3.45Å; F768-S772 PolarHBondContact O-N 2.94Å; F768-S772 PolarHBondContact O-OG 2.9Å; F768-S772 VanDerWaalsContact O-OG 3.1Å |
| 769 | A | 75.8 | Confident | 59 | Low | 45 Ų | 45 | 114.3 Ų | 114.3 | 37% | 0.372 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A765 F766 N773 | A765-A769 PolarHBondContact O-N 3.06Å; F766-A769 PolarHBondContact O-N 2.83Å; A769-N773 PolarHBondContact O-ND2 3.36Å |
| 770 | I | 77 | Confident | 58.1 | Low | 104 Ų | 104 | 115.1 Ų | 115.1 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -45.7 | 172.3 | -68 | 162.5 | 0 | 0 | 0 | 110.1 | F766 F768 | F766-I770 VanDerWaalsContact O-CG1 3.28Å; F766-I770 WeakPolarHBondContact O-CG1 3.49Å; F766-I770 PolarHBondContact O-N 3.19Å; F768-I770 VanDerWaalsContact C-N 3.33Å; F768-I770 PolarHBondContact O-N 3.32Å |
| 771 | T | 74.4 | Confident | 57.1 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | -176.6 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | M767 F768 N773 N774 | M767-T771 WeakPolarHBondContact O-CB 3.31Å; M767-T771 PolarHBondContact O-N 2.98Å; M767-T771 PolarHBondContact O-OG1 3.32Å; F768-T771 PolarHBondContact O-N 3.45Å; T771-N773 VanDerWaalsContact C-N 3.32Å; T771-N773 PolarHBondContact O-N 2.88Å; T771-N774 PolarHBondContact O-N 2.88Å |
| 772 | S | 65.7 | Low | 55.2 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 43% | 0.427 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.1 | -16.5 | -176 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | F768 N774 | F768-S772 PolarHBondContact O-N 2.94Å; F768-S772 PolarHBondContact O-OG 2.9Å; F768-S772 VanDerWaalsContact O-OG 3.1Å; S772-N774 VanDerWaalsContact C-N 3.33Å |
| 773 | N | 51.1 | Low | 53.1 | Low | 137 Ų | 137 | 120.1 Ų | 120.1 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.8 | 176.3 | -80.6 | -23.5 | 0 | 0 | 0 | 114.1 | A769 T771 | A769-N773 PolarHBondContact O-ND2 3.36Å; T771-N773 VanDerWaalsContact C-N 3.32Å; T771-N773 PolarHBondContact O-N 2.88Å |
| 774 | N | 42.5 | Very low | 51 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 9.9 | -172.4 | -75.3 | -17 | 0 | 0 | 0 | 114.9 | T771 S772 | T771-N774 PolarHBondContact O-N 2.88Å; S772-N774 VanDerWaalsContact C-N 3.33Å |
| 775 | T | 37.9 | Very low | 48.6 | Very low | 115 Ų | 115 | 122 Ų | 122 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -122.6 | 62.4 | -175.4 | 55 | 0 | 0 | 0 | 0 | 114.5 | ||
| 776 | S | 33.5 | Very low | 46.3 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -176.2 | 139.7 | 140.3 | 37.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 777 | P | 38.5 | Very low | 43.6 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -87.4 | 147.3 | -179.6 | 33.7 | -34.3 | 0 | 0 | 0 | 114 | ||||
| 778 | E | 30.1 | Very low | 41.1 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | 48.3 | 95 | 156.3 | -58.6 | -163 | 164.5 | 0 | 0 | 120.3 | ||||
| 779 | K | 27.6 | Very low | 38.6 | Very low | 215 Ų | 215 | 130.4 Ų | 130.4 | 94% | 0.935 | 73% | 0.726 | S | S | * | * | trans | -134 | 142.2 | 133.2 | -75.1 | -164.4 | 176.3 | 177.3 | 0 | 111.4 | ||||
| 780 | K | 25.9 | Very low | 36 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -72.1 | 151.4 | -177.1 | -72 | 178.7 | 178.6 | 175.6 | 0 | 111.8 | ||||
| 781 | P | 36.6 | Very low | 33.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -79.8 | 143.7 | -173.2 | 31.9 | -36 | 0 | 0 | 0 | 113.3 | ||||
| 782 | S | 26.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -144.1 | 118.1 | 162.9 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 783 | T | 24.7 | Very low | 28.5 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 33.3 | 108.1 | 158.8 | -47.6 | 0 | 0 | 0 | 0 | 119.8 | S785 | T783-S785 PolarHBondContact O-N 2.93Š| ||
| 784 | I | 26.1 | Very low | 27 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -59.1 | 121.7 | 165.1 | -60.3 | 162.4 | 0 | 0 | 0 | 110.8 | K786 | I784-K786 HydrophobicContact CG2-CG 3.82Š| ||
| 785 | S | 23.2 | Very low | 26 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -94.1 | 106.3 | 161 | -69.9 | 0 | 0 | 0 | 0 | 110 | T783 T787 | T783-S785 PolarHBondContact O-N 2.93Å; S785-T787 PolarHBondContact O-N 3.42Å | ||
| 786 | K | 24.7 | Very low | 25.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 81.6 | 178.2 | -69.7 | -178.4 | 179.4 | 173.8 | 0 | 111.2 | I784 L788 | I784-K786 HydrophobicContact CG2-CG 3.82Å; K786-L788 VanDerWaalsContact C-N 3.27Å; K786-L788 PolarHBondContact O-N 3.07Å | ||
| 787 | T | 23.1 | Very low | 24.7 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -79.8 | 80.9 | 166.4 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | S785 L789 | S785-T787 PolarHBondContact O-N 3.42Å; T787-L789 HydrophobicContact CG2-CD1 3.9Å; T787-L789 HydrophobicContact CG2-CG 4.03Å; T787-L789 PolarHBondContact O-N 2.75Å | ||
| 788 | L | 23.2 | Very low | 24.1 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -73.9 | 113.2 | 164.6 | -176.3 | 80.8 | 0 | 0 | 0 | 108 | K786 | K786-L788 VanDerWaalsContact C-N 3.27Å; K786-L788 PolarHBondContact O-N 3.07Å | ||
| 789 | L | 23.1 | Very low | 23.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -118.7 | 109 | 170 | -84.2 | 169.6 | 0 | 0 | 0 | 110.8 | T787 | T787-L789 HydrophobicContact CG2-CD1 3.9Å; T787-L789 HydrophobicContact CG2-CG 4.03Å; T787-L789 PolarHBondContact O-N 2.75Å | ||
| 790 | R | 21 | Very low | 23.3 | Very low | 177 Ų | 177 | 140 Ų | 140 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | trans | 49.8 | 121.6 | 139.5 | -65.3 | 176.8 | 176.4 | -158 | 7.6 | 117.3 | E792 | R790-E792 VanDerWaalsContact CD-OE1 3.26Å; R790-E792 WeakPolarHBondContact CD-OE1 3.34Å; R790-E792 IonicContact CZ-OE1 3.3Å; R790-E792 VanDerWaalsContact CZ-OE1 3.3Å; R790-E792 IonicContact NE-OE1 3.5Å; R790-E792 PolarHBondContact NE-OE1 3.24Å; R790-E792 IonicContact NH1-OE1 3.71Å; R790-E792 PolarHBondContact NH1-OE1 3.09Å | ||
| 791 | T | 20 | Very low | 23.1 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | cis | 57.4 | 77.5 | 19.7 | -18.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 792 | E | 20.9 | Very low | 22.2 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 59% | 0.593 | 75% | 0.746 | S | S | * | * | trans | -147.2 | 112.7 | 158 | -112.1 | 162.2 | -123.7 | 0 | 0 | 105.9 | R790 | R790-E792 VanDerWaalsContact CD-OE1 3.26Å; R790-E792 WeakPolarHBondContact CD-OE1 3.34Å; R790-E792 IonicContact CZ-OE1 3.3Å; R790-E792 VanDerWaalsContact CZ-OE1 3.3Å; R790-E792 IonicContact NE-OE1 3.5Å; R790-E792 PolarHBondContact NE-OE1 3.24Å; R790-E792 IonicContact NH1-OE1 3.71Å; R790-E792 PolarHBondContact NH1-OE1 3.09Å | ||
| 793 | T | 19.2 | Very low | 21.9 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | 77.7 | 143.3 | 100.4 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 794 | S | 19.6 | Very low | 22.9 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -165 | 142.6 | -1.9 | 156 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 795 | M | 21.1 | Very low | 22.6 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | trans | 30 | 131.7 | 142.2 | -47.5 | 172.5 | 75.2 | 0 | 0 | 121.6 | ||||
| 796 | K | 25 | Very low | 22.5 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -162.9 | 113.5 | 143.1 | -99.7 | 154 | -174.7 | 177.2 | 0 | 107.4 | ||||
| 797 | S | 18.9 | Very low | 22.3 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | 90.5 | 70.1 | 11.4 | 94 | 0 | 0 | 0 | 0 | 118 | ||||
| 798 | H | 25.7 | Very low | 22.1 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -150.1 | 138.2 | 154.4 | -82.3 | -78.9 | 0 | 0 | 0 | 105.9 | ||||
| 799 | N | 21.2 | Very low | 22 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -134.2 | 146.5 | 2.1 | -91 | -17.6 | 0 | 0 | 0 | 108.5 | ||||
| 800 | T | 19.1 | Very low | 21.9 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | 31.2 | 134.3 | 103.2 | 71.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 801 | V | 21.3 | Very low | 21.8 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | -135.5 | 140.8 | 16.8 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 802 | S | 18.7 | Very low | 21.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -160.5 | 154.8 | 152.9 | -85.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 803 | S | 19.7 | Very low | 21.9 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -156.7 | 153.2 | 169.2 | -76.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 804 | P | 45.7 | Very low | 21.9 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -130.1 | 173.5 | -8.2 | 40.1 | -24.2 | 0 | 0 | 0 | 114.9 | ||||
| 805 | K | 19.5 | Very low | 22 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 33.1 | 123.9 | 148.1 | -62.7 | 172.3 | -179.9 | 179.5 | 0 | 120.7 | ||||
| 806 | S | 21.3 | Very low | 21.9 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | 171.5 | 143.9 | 100.5 | 58.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 807 | V | 21.8 | Very low | 21.7 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 44.3 | 97.6 | 144.3 | -173.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 808 | E | 19.1 | Very low | 21.9 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | 62.5 | 135.7 | 113.5 | -135.4 | -163.5 | 123.9 | 0 | 0 | 125 | |||||
| 809 | S | 20.7 | Very low | 21.6 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | 105.2 | 127.9 | 130.2 | -119.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 810 | T | 20.7 | Very low | 21.6 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | 50.8 | 110.4 | 148.2 | 42.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 811 | K | 19.7 | Very low | 21.7 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | 65.4 | 155.3 | 120.8 | -72.2 | -180 | 178.7 | 172.3 | 0 | 122.9 | |||||
| 812 | N | 21.4 | Very low | 21.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 75.4 | 106.5 | 162.7 | -62.3 | -22.7 | 0 | 0 | 0 | 117.3 | ||||
| 813 | K | 19.9 | Very low | 21.6 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | 65.8 | 117.1 | 72.9 | -164.4 | -167.9 | -175.6 | 179.3 | 0 | 113.6 | |||||
| 814 | L | 21 | Very low | 21.6 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 117.3 | 98 | 140.1 | -148.9 | 73.6 | 0 | 0 | 0 | 119.6 | ||||
| 815 | K | 20.4 | Very low | 20.6 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 59.4 | 140.8 | 136.6 | -65.5 | -179.5 | 178.5 | 178.7 | 0 | 123.1 | ||||
| 816 | K | 19.9 | Very low | 20.6 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 88.4 | 95.3 | 138 | -88.3 | -171.2 | 171.4 | -169.3 | 0 | 121.1 | ||||
| 817 | L | 21 | Very low | 20.6 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | 80.5 | 147.9 | 110.7 | -116.1 | 86.4 | 0 | 0 | 0 | 122.4 | |||||
| 818 | T | 21.4 | Very low | 20.6 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | 95.2 | 127.2 | 155 | 58.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 819 | K | 21 | Very low | 20.6 | Very low | 186 Ų | 186 | 152 Ų | 152 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | trans | 76 | 88.3 | 139.2 | -73.3 | 176.5 | 177.1 | -176.5 | 0 | 122.3 | ||||
| 820 | S | 20.3 | Very low | 20.7 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 33.3 | 127.7 | 111.2 | 63.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 821 | S | 20.4 | Very low | 20.8 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | -170.3 | 137.1 | 125.4 | -112.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 822 | Q | 20.7 | Very low | 20.7 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 30.5 | 132.4 | 146.9 | -57 | -166.6 | 4.9 | 0 | 0 | 125.6 | ||||
| 823 | K | 19.1 | Very low | 20.7 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 73% | 0.726 | 77% | 0.77 | S | S | * | * | trans | 57 | 132.3 | 130.1 | -69.8 | -173.6 | 170.2 | -172.3 | 0 | 123.1 | ||||
| 824 | N | 19.8 | Very low | 20.8 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | -176.7 | 155.3 | 95.5 | -98.1 | -37.3 | 0 | 0 | 0 | 114.5 | |||||
| 825 | D | 23.2 | Very low | 20.9 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -94.2 | 158.5 | 179.9 | -45.1 | -93 | 0 | 0 | 0 | 114.5 | ||||
| 826 | K | 19.5 | Very low | 21.1 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 171.6 | 153.4 | 135.5 | -99.2 | 158.2 | -175.8 | 171.5 | 0 | 116.6 | ||||
| 827 | K | 22.3 | Very low | 21.3 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 76.2 | 147.3 | 165.2 | -64.4 | 162.7 | -178 | 174.3 | 0 | 115.6 | ||||
| 828 | K | 21.4 | Very low | 21.2 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | cis | -160.2 | 144.5 | 1.7 | -130.1 | -171.6 | 177.3 | -171 | 0 | 112.2 | ||||
| 829 | M | 19.6 | Very low | 21.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | 43.4 | 145.3 | 129.7 | -78 | 175.5 | 79.9 | 0 | 0 | 122.2 | |||||
| 830 | V | 22.6 | Very low | 21.2 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -147.1 | 151.1 | 7.8 | -172 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 831 | G | 21.4 | Very low | 21.3 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -178.1 | 137.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 832 | C | 18.6 | Very low | 21.3 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -151.8 | 157 | -179.8 | -142.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 833 | T | 21.5 | Very low | 21.2 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -154.7 | 171.2 | 40.1 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 834 | S | 21.1 | Very low | 21.6 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 1.7 | 147.5 | 151.9 | 54 | 0 | 0 | 0 | 0 | 121 | ||||
| 835 | S | 24.2 | Very low | 21.7 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -168.5 | 157.2 | 10.4 | 39.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 836 | S | 23.5 | Very low | 22 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 41.8 | 118.9 | 144.6 | -54.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 837 | L | 24.1 | Very low | 22.1 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -165.6 | 156.1 | 102.9 | -105.7 | 167.1 | 0 | 0 | 0 | 112.8 | |||||
| 838 | I | 20.2 | Very low | 22.1 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -119.4 | 134 | -179.7 | -69.1 | 167.8 | 0 | 0 | 0 | 108.7 | ||||
| 839 | T | 23.2 | Very low | 22.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -166.9 | 132.1 | 136.2 | 4.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 840 | Q | 19.1 | Very low | 22.1 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -94.2 | 137.9 | 158.1 | -62.5 | 166.6 | -43.2 | 0 | 0 | 107.5 | ||||
| 841 | W | 20.7 | Very low | 22.2 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 135 | 166.3 | -90.8 | 65.8 | 0 | 0 | 0 | 110.3 | ||||
| 842 | T | 22 | Very low | 22.2 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -126.6 | 143.4 | -172.5 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 843 | K | 18.8 | Very low | 22.3 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 33.7 | 120 | 153.7 | -67.4 | -174.3 | 176.7 | -177.9 | 0 | 120 | ||||
| 844 | P | 26.3 | Very low | 22.3 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 172.3 | 142 | -15.4 | 32.4 | 0 | 0 | 0 | 113 | ||||
| 845 | A | 22.1 | Very low | 22.2 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -117.7 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 846 | P | 30.2 | Very low | 22.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -117.7 | 175.8 | -156.6 | 43.9 | -36.3 | 0 | 0 | 0 | 117.7 | ||||
| 847 | L | 20.9 | Very low | 22.6 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 73.6 | 144.5 | 159.1 | -72.9 | 158.9 | 0 | 0 | 0 | 118.1 | ||||
| 848 | P | 21.9 | Very low | 22.6 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | -142 | 155.7 | 92.6 | 40.4 | -26.6 | 0 | 0 | 0 | 117.6 | |||||
| 849 | T | 21.9 | Very low | 22.6 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 45.3 | 109.4 | 146 | 59 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 850 | D | 19.3 | Very low | 22.5 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | 19.1 | 129.2 | 120.7 | -46.7 | -56.6 | 0 | 0 | 0 | 121 | |||||
| 851 | N | 24.9 | Very low | 22.5 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | -168.4 | 143 | 107.8 | -105.1 | -15.9 | 0 | 0 | 0 | 115.7 | |||||
| 852 | E | 21.2 | Very low | 22.6 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | 40.7 | 125.8 | 148.4 | -57.5 | -147.9 | 123.9 | 0 | 0 | 125.1 | ||||
| 853 | V | 21.9 | Very low | 22.5 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 61 | 126.1 | 131.1 | -178.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 854 | G | 20.3 | Very low | 22.7 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 136.3 | 102.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 855 | S | 19.7 | Very low | 22.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -131 | 161 | 162.8 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 856 | P | 31.2 | Very low | 22.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -122.4 | 166.5 | 2.1 | 39.9 | -26.2 | 0 | 0 | 0 | 114.5 | ||||
| 857 | S | 24.4 | Very low | 21.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -88.5 | 136.4 | -172.6 | -48.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 858 | S | 24.7 | Very low | 21.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 48.7 | 83.7 | 140.2 | 63.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 859 | S | 20.2 | Very low | 21.7 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | -3.9 | 149.4 | 116.9 | -33.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 860 | I | 21.6 | Very low | 21.6 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 80.3 | 115.4 | 140.5 | -69.4 | 160.4 | 0 | 0 | 0 | 119.5 | ||||
| 861 | S | 17.8 | Very low | 21.9 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -65 | 153.4 | 161.1 | -31.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 862 | L | 23 | Very low | 21.6 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -117.5 | 118.6 | 158.2 | -73.8 | 175.3 | 0 | 0 | 0 | 110.5 | ||||
| 863 | N | 19.5 | Very low | 21.8 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -70.7 | 144.9 | 156.5 | -71.4 | -30.1 | 0 | 0 | 0 | 108.2 | ||||
| 864 | L | 24.2 | Very low | 21.9 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -131.1 | 137.2 | 154.8 | -162.4 | 66.5 | 0 | 0 | 0 | 108.4 | ||||
| 865 | S | 18.6 | Very low | 21.9 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | -147.1 | 165.1 | -174 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 866 | L | 20.3 | Very low | 22.2 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 78.9 | 164.1 | 172.1 | -92.5 | 81 | 0 | 0 | 0 | 118.8 | ||||
| 867 | E | 20.2 | Very low | 21.8 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 75.1 | 116.2 | 173.1 | -45.5 | -153.7 | 157.5 | 0 | 0 | 116.4 | ||||
| 868 | L | 19.2 | Very low | 21.8 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | cis | 106.8 | 102.9 | 15.2 | -171.2 | 79.1 | 0 | 0 | 0 | 113.3 | ||||
| 869 | S | 22.6 | Very low | 21.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | 176.1 | 167.1 | 161.9 | 31.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 870 | S | 19.5 | Very low | 22.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | -175.8 | 103.4 | -54.8 | 49 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 871 | S | 24.7 | Very low | 22.7 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -177.1 | 145.1 | 160.3 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 872 | S | 19.7 | Very low | 24 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | cis | 98.8 | 75.3 | 12.6 | 84.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 873 | L | 25.5 | Very low | 25.2 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -160.1 | 121 | 153.7 | -121.9 | 69.7 | 0 | 0 | 0 | 105.3 | ||||
| 874 | A | 22.2 | Very low | 27 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 97.7 | 102.5 | 59 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 875 | S | 20.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | 45.8 | 104.2 | 142.6 | -51.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 876 | A | 26.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -155.5 | 152.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 877 | S | 22.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | -105.8 | 168.7 | -178.2 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 878 | S | 25.4 | Very low | 38.1 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 84 | 113.9 | 166 | -59.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 879 | F | 23.4 | Very low | 41.1 | Very low | 192 Ų | 192 | 110.2 Ų | 110.2 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | trans | 43.5 | 101 | 154.4 | -62.7 | -87.4 | 0 | 0 | 0 | 119.4 | ||||
| 880 | N | 30.2 | Very low | 43.3 | Very low | 150 Ų | 150 | 109.8 Ų | 109.8 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | -160.7 | 159.7 | 84.3 | -123.7 | -32.3 | 0 | 0 | 0 | 113.8 | N882 | N880-N882 PolarHBondContact O-N 3Š| |||
| 881 | N | 32.9 | Very low | 45.4 | Very low | 137 Ų | 137 | 106.2 Ų | 106.2 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | trans | -73.1 | 108.4 | -173 | -71.2 | -44.5 | 0 | 0 | 0 | 112.3 | V883 | N881-V883 VanDerWaalsContact C-N 3.28Å; N881-V883 HydrophobicContact CB-CG2 3.87Å; N881-V883 PolarHBondContact O-N 3.14Å | ||
| 882 | N | 43.1 | Very low | 48.1 | Very low | 152 Ų | 152 | 103 Ų | 103 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | trans | -82.3 | 74.1 | 176.6 | -146.8 | -12.2 | 0 | 0 | 0 | 110.5 | N880 G884 | N880-N882 PolarHBondContact O-N 3Å; N882-G884 PolarHBondContact O-N 3.29Å | ||
| 883 | V | 48.2 | Very low | 50.8 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | trans | -74.4 | 65.7 | -175.4 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | N881 Y885 | N881-V883 VanDerWaalsContact C-N 3.28Å; N881-V883 HydrophobicContact CB-CG2 3.87Å; N881-V883 PolarHBondContact O-N 3.14Å; V883-Y885 WeakPolarHBondContact O-CD2 3.24Å; V883-Y885 PolarHBondContact O-N 3Å | ||
| 884 | G | 57.9 | Low | 53.2 | Low | 16 Ų | 16 | 104.3 Ų | 104.3 | 17% | 0.165 | 58% | 0.581 | C | S | . | * | trans | -69.5 | 107.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | N882 R897 F898 | N882-G884 PolarHBondContact O-N 3.29Å; G884-R897 WeakPolarHBondContact O-CG 3.01Å; G884-R897 PolarHBondContact O-NE 3.3Å; G884-F898 CarbonylContact C-O 3.34Å; G884-F898 WeakPolarHBondContact CA-O 3.41Å | ||
| 885 | Y | 75.4 | Confident | 56.3 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.4 | -177.5 | -62.6 | -92.1 | 0 | 0 | 0 | 112.1 | V883 F887 R897 F898 | V883-Y885 WeakPolarHBondContact O-CD2 3.24Å; V883-Y885 PolarHBondContact O-N 3Å; Y885-F887 HydrophobicContact CD1-CZ 4.45Å; Y885-F887 HydrophobicContact CG-CE2 4.14Å; Y885-F887 HydrophobicContact CG-CZ 4.01Å; Y885-R897 CarbonylContact O-C 3.56Å; Y885-R897 VanDerWaalsContact O-CA 3.31Å; Y885-R897 WeakPolarHBondContact O-CA 3.12Å; Y885-F898 PolarHBondContact N-O 3.06Å; Y885-F898 PolarHBondContact O-N 3.43Å |
| 886 | F | 75 | Confident | 59.4 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 66% | 0.662 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 168.2 | -80.5 | -93.7 | 0 | 0 | 0 | 110.2 | F896 R897 | F886-F896 CarbonylContact C-O 3.48Å; F886-F896 VanDerWaalsContact CA-O 3.31Å; F886-F896 WeakPolarHBondContact CA-O 3.41Å; F886-R897 HydrophobicContact CD1-CB 4.23Å; F886-R897 HydrophobicContact CD1-CG 4.46Å; F886-R897 HydrophobicContact CD2-CG 4.07Å; F886-R897 HydrophobicContact CE1-CB 4.06Å; F886-R897 HydrophobicContact CE1-CG 4.3Å; F886-R897 HydrophobicContact CE2-CG 3.9Å; F886-R897 HydrophobicContact CG-CG 4.37Å; F886-R897 HydrophobicContact CZ-CB 4.23Å; F886-R897 HydrophobicContact CZ-CG 4.03Å |
| 887 | F | 84.5 | Confident | 62.2 | Low | 37 Ų | 37 | 104.7 Ų | 104.7 | 16% | 0.162 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.5 | 177 | -60.2 | -81.4 | 0 | 0 | 0 | 110.2 | Y885 F896 F898 E901 F904 | Y885-F887 HydrophobicContact CD1-CZ 4.45Å; Y885-F887 HydrophobicContact CG-CE2 4.14Å; Y885-F887 HydrophobicContact CG-CZ 4.01Å; F887-F896 PolarHBondContact N-O 3.1Å; F887-F896 PolarHBondContact O-N 2.92Å; F887-F898 HydrophobicContact CD2-CB 4.09Å; F887-F898 AromaticContact CD2-CD2 3.98Å; F887-F898 HydrophobicContact CD2-CD2 3.98Å; F887-F898 HydrophobicContact CE2-CB 4.14Å; F887-E901 HydrophobicContact CE1-CG 4.32Å; F887-E901 HydrophobicContact CZ-CG 3.73Å; F887-F904 HydrophobicContact CB-CD1 4.02Å; F887-F904 HydrophobicContact CB-CD2 3.55Å; F887-F904 HydrophobicContact CB-CE1 4.04Å; F887-F904 HydrophobicContact CB-CE2 3.57Å; F887-F904 HydrophobicContact CB-CG 3.78Å; F887-F904 HydrophobicContact CB-CZ 3.82Å; F887-F904 AromaticContact CD1-CD1 3.57Å; F887-F904 HydrophobicContact CD1-CD1 3.57Å; F887-F904 AromaticContact CD1-CE1 3.8Å; F887-F904 HydrophobicContact CD1-CE1 3.8Å; F887-F904 HydrophobicContact CD1-CG 4.01Å; F887-F904 HydrophobicContact CD1-CZ 4.42Å; F887-F904 HydrophobicContact CD2-CB 3.81Å; F887-F904 HydrophobicContact CD2-CD1 4.28Å; F887-F904 HydrophobicContact CD2-CD2 4.35Å; F887-F904 AromaticContact CD2-CG 3.89Å; F887-F904 HydrophobicContact CD2-CG 3.89Å; F887-F904 HydrophobicContact CE1-CD1 4.01Å; F887-F904 HydrophobicContact CE2-CB 3.99Å; F887-F904 HydrophobicContact CE2-CG 4.4Å; F887-F904 HydrophobicContact CG-CB 4.11Å; F887-F904 AromaticContact CG-CD1 3.72Å; F887-F904 HydrophobicContact CG-CD1 3.72Å; F887-F904 AromaticContact CG-CD2 3.97Å; F887-F904 HydrophobicContact CG-CD2 3.97Å; F887-F904 HydrophobicContact CG-CE1 4.09Å; F887-F904 HydrophobicContact CG-CE2 4.33Å; F887-F904 AromaticContact CG-CG 3.65Å; F887-F904 HydrophobicContact CG-CG 3.65Å; F887-F904 HydrophobicContact CG-CZ 4.39Å; F887-F904 HydrophobicContact CZ-CB 4.49Å |
| 888 | K | 81.9 | Confident | 65.1 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.9 | 165.7 | -169 | 172.6 | -178.7 | -166.9 | 0 | 109.1 | P890 E893 D895 | K888-P890 WeakPolarHBondContact O-CD 3.4Å; K888-E893 WeakPolarHBondContact CE-O 3.48Å; K888-E893 IonicContact NZ-OE2 3.14Å; K888-E893 PolarHBondContact NZ-OE2 2.87Å; K888-D895 WeakPolarHBondContact CB-OD1 3.1Å; K888-D895 VanDerWaalsContact CG-OD1 3.23Å; K888-D895 WeakPolarHBondContact CG-OD1 3.41Å |
| 889 | C | 80.9 | Confident | 67.7 | Low | 0 Ų | 0 | 100 Ų | 100 | 0% | 0 | 49% | 0.494 | C | S | . | . | trans | -74.1 | 119.2 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | V891 E893 R894 F896 F904 H907 | C889-V891 PolarHBondContact O-N 2.72Å; C889-V891 VanDerWaalsContact O-N 3.13Å; C889-E893 WeakPolarHBondContact O-CA 3.37Å; C889-E893 PolarHBondContact O-N 3.36Å; C889-R894 PolarHBondContact N-O 3.43Å; C889-F896 HydrophobicContact CB-CD2 4.35Å; C889-F896 HydrophobicContact CB-CE2 3.99Å; C889-F904 HydrophobicContact CB-CE2 4.31Å; C889-H907 VanDerWaalsContact CB-NE2 3.29Å; C889-H907 WeakPolarHBondContact CB-NE2 3.32Å; C889-H907 PolarHBondContact SG-NE2 3.11Å | ||
| 890 | P | 70.4 | Confident | 70.3 | Confident | 103 Ų | 103 | 92.5 Ų | 92.5 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -1.8 | 179.9 | 30.8 | -36.1 | 0 | 0 | 0 | 114.2 | K888 L908 | K888-P890 WeakPolarHBondContact O-CD 3.4Å; P890-L908 HydrophobicContact CG-CD2 3.85Å |
| 891 | V | 63.6 | Low | 72.5 | Confident | 38 Ų | 38 | 91.1 Ų | 91.1 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -22.6 | -175.1 | -168.9 | 0 | 0 | 0 | 0 | 112.8 | C889 L908 C911 L912 | C889-V891 PolarHBondContact O-N 2.72Å; C889-V891 VanDerWaalsContact O-N 3.13Å; V891-L908 HydrophobicContact CG2-CD2 4.5Å; V891-C911 HydrophobicContact CB-CB 3.74Å; V891-C911 HydrophobicContact CG1-CB 3.78Å; V891-C911 WeakPolarHBondContact CG1-O 3.5Å; V891-L912 HydrophobicContact CG1-CD2 4.08Å; V891-L912 HydrophobicContact CG1-CG 4.41Å; V891-L912 HydrophobicContact CG2-CD2 3.74Å; V891-L912 HydrophobicContact CG2-CG 4.06Å |
| 892 | C | 81.2 | Confident | 74.5 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 2.2 | 172.3 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | R894 | C892-R894 PolarHBondContact O-N 2.87Š|
| 893 | E | 75.9 | Confident | 76.3 | Confident | 133 Ų | 133 | 87.8 Ų | 87.8 | 62% | 0.621 | 43% | 0.431 | S | S | * | . | trans | 55.9 | 15.4 | 178.9 | -68.7 | -147.2 | -143.5 | 0 | 0 | 117.1 | K888 C889 | K888-E893 WeakPolarHBondContact CE-O 3.48Å; K888-E893 IonicContact NZ-OE2 3.14Å; K888-E893 PolarHBondContact NZ-OE2 2.87Å; C889-E893 WeakPolarHBondContact O-CA 3.37Å; C889-E893 PolarHBondContact O-N 3.36Å | ||
| 894 | R | 77.1 | Confident | 77.7 | Confident | 173 Ų | 173 | 84.4 Ų | 84.4 | 65% | 0.653 | 41% | 0.408 | S | S | * | . | trans | -88.4 | 144.2 | 175.3 | -65.4 | 173.9 | -173.3 | -174.7 | 0.2 | 111.7 | C889 C892 F896 | C889-R894 PolarHBondContact N-O 3.43Å; C892-R894 PolarHBondContact O-N 2.87Å; R894-F896 HydrophobicContact CB-CD2 4.34Å; R894-F896 HydrophobicContact CB-CE2 3.51Å; R894-F896 HydrophobicContact CB-CZ 3.78Å; R894-F896 VanDerWaalsContact O-CD2 3.29Å; R894-F896 WeakPolarHBondContact O-CD2 3.48Å; R894-F896 WeakPolarHBondContact O-CE2 3.23Å | ||
| 895 | D | 87.3 | Confident | 78.6 | Confident | 117 Ų | 117 | 86.7 Ų | 86.7 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.5 | 171.5 | -60.1 | -50.8 | 0 | 0 | 0 | 110.6 | K888 | K888-D895 WeakPolarHBondContact CB-OD1 3.1Å; K888-D895 VanDerWaalsContact CG-OD1 3.23Å; K888-D895 WeakPolarHBondContact CG-OD1 3.41Å |
| 896 | F | 85.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.3 | 179.2 | -63.2 | -91.5 | 0 | 0 | 0 | 110.8 | F886 F887 C889 R894 F898 H907 | F886-F896 CarbonylContact C-O 3.48Å; F886-F896 VanDerWaalsContact CA-O 3.31Å; F886-F896 WeakPolarHBondContact CA-O 3.41Å; F887-F896 PolarHBondContact N-O 3.1Å; F887-F896 PolarHBondContact O-N 2.92Å; C889-F896 HydrophobicContact CB-CD2 4.35Å; C889-F896 HydrophobicContact CB-CE2 3.99Å; R894-F896 HydrophobicContact CB-CD2 4.34Å; R894-F896 HydrophobicContact CB-CE2 3.51Å; R894-F896 HydrophobicContact CB-CZ 3.78Å; R894-F896 VanDerWaalsContact O-CD2 3.29Å; R894-F896 WeakPolarHBondContact O-CD2 3.48Å; R894-F896 WeakPolarHBondContact O-CE2 3.23Å; F896-F898 HydrophobicContact CB-CD2 3.67Å; F896-F898 HydrophobicContact CB-CE2 3.24Å; F896-F898 HydrophobicContact CB-CZ 3.79Å; F896-F898 HydrophobicContact CD1-CE2 4.12Å; F896-F898 AromaticContact CD1-CZ 3.86Å; F896-F898 HydrophobicContact CD1-CZ 3.86Å; F896-F898 HydrophobicContact CD2-CE2 4.21Å; F896-F898 AromaticContact CG-CE2 3.62Å; F896-F898 HydrophobicContact CG-CE2 3.62Å; F896-F898 AromaticContact CG-CZ 3.86Å; F896-F898 HydrophobicContact CG-CZ 3.86Å; F896-H907 AromaticContact CD2-CD2 3.98Å; F896-H907 AromaticContact CD2-NE2 3.87Å; F896-H907 AromaticContact CE2-CD2 3.64Å; F896-H907 AromaticContact CE2-CE1 3.51Å; F896-H907 AromaticContact CE2-NE2 3.06Å; F896-H907 WeakPolarHBondContact CE2-NE2 3.14Å; F896-H907 AromaticContact CZ-CE1 3.26Å; F896-H907 WeakPolarHBondContact CZ-CE1 3.14Å; F896-H907 AromaticContact CZ-ND1 3.88Å; F896-H907 AromaticContact CZ-NE2 3.38Å; F896-H907 WeakPolarHBondContact CZ-NE2 3.35Å |
| 897 | R | 84.2 | Confident | 78.9 | Confident | 160 Ų | 160 | 80.6 Ų | 80.6 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.7 | 169.1 | -163.2 | -178.8 | -172.1 | -179.9 | -3.2 | 109.7 | G884 Y885 F886 | G884-R897 WeakPolarHBondContact O-CG 3.01Å; G884-R897 PolarHBondContact O-NE 3.3Å; Y885-R897 CarbonylContact O-C 3.56Å; Y885-R897 VanDerWaalsContact O-CA 3.31Å; Y885-R897 WeakPolarHBondContact O-CA 3.12Å; F886-R897 HydrophobicContact CD1-CB 4.23Å; F886-R897 HydrophobicContact CD1-CG 4.46Å; F886-R897 HydrophobicContact CD2-CG 4.07Å; F886-R897 HydrophobicContact CE1-CB 4.06Å; F886-R897 HydrophobicContact CE1-CG 4.3Å; F886-R897 HydrophobicContact CE2-CG 3.9Å; F886-R897 HydrophobicContact CG-CG 4.37Å; F886-R897 HydrophobicContact CZ-CB 4.23Å; F886-R897 HydrophobicContact CZ-CG 4.03Å |
| 898 | F | 84.4 | Confident | 78.1 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 150.7 | -176.4 | -72.9 | -63.6 | 0 | 0 | 0 | 112.2 | G884 Y885 F887 F896 K903 F904 H907 | G884-F898 CarbonylContact C-O 3.34Å; G884-F898 WeakPolarHBondContact CA-O 3.41Å; Y885-F898 PolarHBondContact N-O 3.06Å; Y885-F898 PolarHBondContact O-N 3.43Å; F887-F898 HydrophobicContact CD2-CB 4.09Å; F887-F898 AromaticContact CD2-CD2 3.98Å; F887-F898 HydrophobicContact CD2-CD2 3.98Å; F887-F898 HydrophobicContact CE2-CB 4.14Å; F896-F898 HydrophobicContact CB-CD2 3.67Å; F896-F898 HydrophobicContact CB-CE2 3.24Å; F896-F898 HydrophobicContact CB-CZ 3.79Å; F896-F898 HydrophobicContact CD1-CE2 4.12Å; F896-F898 AromaticContact CD1-CZ 3.86Å; F896-F898 HydrophobicContact CD1-CZ 3.86Å; F896-F898 HydrophobicContact CD2-CE2 4.21Å; F896-F898 AromaticContact CG-CE2 3.62Å; F896-F898 HydrophobicContact CG-CE2 3.62Å; F896-F898 AromaticContact CG-CZ 3.86Å; F896-F898 HydrophobicContact CG-CZ 3.86Å; F898-K903 HydrophobicContact CB-CB 4.32Å; F898-K903 HydrophobicContact CD1-CB 3.57Å; F898-K903 HydrophobicContact CE1-CB 4.11Å; F898-K903 HydrophobicContact CG-CB 4.1Å; F898-F904 HydrophobicContact CD2-CB 3.73Å; F898-F904 HydrophobicContact CD2-CD2 4.05Å; F898-F904 HydrophobicContact CD2-CG 4.32Å; F898-F904 HydrophobicContact CE2-CB 4.18Å; F898-F904 AromaticContact CE2-CD2 3.89Å; F898-F904 HydrophobicContact CE2-CD2 3.89Å; F898-F904 HydrophobicContact CG-CB 4.42Å; F898-H907 HydrophobicContact CE2-CB 4.12Å; F898-H907 HydrophobicContact CZ-CB 3.77Å |
| 899 | S | 78.3 | Confident | 77.4 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -80.3 | -16.8 | 178.5 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | K903 | S899-K903 WeakPolarHBondContact OG-CE 3.45Å; S899-K903 PolarHBondContact OG-NZ 3.43Å |
| 900 | S | 78.1 | Confident | 77 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -158.8 | 163.4 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | D902 K903 | S900-D902 WeakPolarHBondContact CB-OD2 3.43Å; S900-D902 PolarHBondContact O-N 3.14Å; S900-D902 PolarHBondContact OG-OD2 2.8Å; S900-K903 PolarHBondContact O-N 3.46Å |
| 901 | E | 76.3 | Confident | 76.6 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -31.1 | 174.2 | -72.3 | 179.6 | 171.2 | 0 | 0 | 112.3 | F887 K903 F904 N905 | F887-E901 HydrophobicContact CE1-CG 4.32Å; F887-E901 HydrophobicContact CZ-CG 3.73Å; E901-K903 VanDerWaalsContact C-N 3.27Å; E901-K903 PolarHBondContact O-N 3.04Å; E901-F904 CarbonylContact O-C 3.58Å; E901-F904 WeakPolarHBondContact O-CA 3.43Å; E901-F904 WeakPolarHBondContact O-CB 3.42Å; E901-F904 PolarHBondContact O-N 2.97Å; E901-N905 PolarHBondContact O-N 2.81Å; E901-N905 PolarHBondContact O-ND2 3Å |
| 902 | D | 76.1 | Confident | 76.3 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.3 | -37.5 | -180 | -40.1 | -74.7 | 0 | 0 | 0 | 112.5 | S900 F904 N905 Y906 | S900-D902 WeakPolarHBondContact CB-OD2 3.43Å; S900-D902 PolarHBondContact O-N 3.14Å; S900-D902 PolarHBondContact OG-OD2 2.8Å; D902-F904 VanDerWaalsContact C-N 3.34Å; D902-N905 PolarHBondContact O-N 3.45Å; D902-Y906 PolarHBondContact O-N 3.49Å |
| 903 | K | 79.8 | Confident | 75.6 | Confident | 112 Ų | 112 | 76 Ų | 76 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.2 | -25.3 | 175.9 | -68.5 | -175 | -177.5 | 167.4 | 0 | 112.9 | F898 S899 S900 E901 H907 | F898-K903 HydrophobicContact CB-CB 4.32Å; F898-K903 HydrophobicContact CD1-CB 3.57Å; F898-K903 HydrophobicContact CE1-CB 4.11Å; F898-K903 HydrophobicContact CG-CB 4.1Å; S899-K903 WeakPolarHBondContact OG-CE 3.45Å; S899-K903 PolarHBondContact OG-NZ 3.43Å; S900-K903 PolarHBondContact O-N 3.46Å; E901-K903 VanDerWaalsContact C-N 3.27Å; E901-K903 PolarHBondContact O-N 3.04Å; K903-H907 PolarHBondContact O-N 2.95Å |
| 904 | F | 79.2 | Confident | 74.3 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.1 | -38.4 | 171.1 | 179.7 | -127.2 | 0 | 0 | 0 | 111.2 | F887 C889 F898 E901 D902 H907 L908 | F887-F904 HydrophobicContact CB-CD1 4.02Å; F887-F904 HydrophobicContact CB-CD2 3.55Å; F887-F904 HydrophobicContact CB-CE1 4.04Å; F887-F904 HydrophobicContact CB-CE2 3.57Å; F887-F904 HydrophobicContact CB-CG 3.78Å; F887-F904 HydrophobicContact CB-CZ 3.82Å; F887-F904 AromaticContact CD1-CD1 3.57Å; F887-F904 HydrophobicContact CD1-CD1 3.57Å; F887-F904 AromaticContact CD1-CE1 3.8Å; F887-F904 HydrophobicContact CD1-CE1 3.8Å; F887-F904 HydrophobicContact CD1-CG 4.01Å; F887-F904 HydrophobicContact CD1-CZ 4.42Å; F887-F904 HydrophobicContact CD2-CB 3.81Å; F887-F904 HydrophobicContact CD2-CD1 4.28Å; F887-F904 HydrophobicContact CD2-CD2 4.35Å; F887-F904 AromaticContact CD2-CG 3.89Å; F887-F904 HydrophobicContact CD2-CG 3.89Å; F887-F904 HydrophobicContact CE1-CD1 4.01Å; F887-F904 HydrophobicContact CE2-CB 3.99Å; F887-F904 HydrophobicContact CE2-CG 4.4Å; F887-F904 HydrophobicContact CG-CB 4.11Å; F887-F904 AromaticContact CG-CD1 3.72Å; F887-F904 HydrophobicContact CG-CD1 3.72Å; F887-F904 AromaticContact CG-CD2 3.97Å; F887-F904 HydrophobicContact CG-CD2 3.97Å; F887-F904 HydrophobicContact CG-CE1 4.09Å; F887-F904 HydrophobicContact CG-CE2 4.33Å; F887-F904 AromaticContact CG-CG 3.65Å; F887-F904 HydrophobicContact CG-CG 3.65Å; F887-F904 HydrophobicContact CG-CZ 4.39Å; F887-F904 HydrophobicContact CZ-CB 4.49Å; C889-F904 HydrophobicContact CB-CE2 4.31Å; F898-F904 HydrophobicContact CD2-CB 3.73Å; F898-F904 HydrophobicContact CD2-CD2 4.05Å; F898-F904 HydrophobicContact CD2-CG 4.32Å; F898-F904 HydrophobicContact CE2-CB 4.18Å; F898-F904 AromaticContact CE2-CD2 3.89Å; F898-F904 HydrophobicContact CE2-CD2 3.89Å; F898-F904 HydrophobicContact CG-CB 4.42Å; E901-F904 CarbonylContact O-C 3.58Å; E901-F904 WeakPolarHBondContact O-CA 3.43Å; E901-F904 WeakPolarHBondContact O-CB 3.42Å; E901-F904 PolarHBondContact O-N 2.97Å; D902-F904 VanDerWaalsContact C-N 3.34Å; F904-H907 PolarHBondContact O-N 3.36Å; F904-L908 HydrophobicContact CD1-CD1 4.08Å; F904-L908 HydrophobicContact CD2-CG 4.49Å; F904-L908 HydrophobicContact CE1-CD1 3.81Å; F904-L908 HydrophobicContact CE1-CG 4.26Å; F904-L908 HydrophobicContact CE2-CD2 4.28Å; F904-L908 HydrophobicContact CE2-CG 4.15Å; F904-L908 HydrophobicContact CZ-CD1 4.07Å; F904-L908 HydrophobicContact CZ-CD2 3.97Å; F904-L908 HydrophobicContact CZ-CG 4.03Å; F904-L908 WeakPolarHBondContact O-CG 3.07Å; F904-L908 PolarHBondContact O-N 3.44Å |
| 905 | N | 75 | Confident | 73 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.3 | -55.5 | 171.6 | -66.5 | -33.8 | 0 | 0 | 0 | 110.7 | E901 D902 H907 L908 D909 | E901-N905 PolarHBondContact O-N 2.81Å; E901-N905 PolarHBondContact O-ND2 3Å; D902-N905 PolarHBondContact O-N 3.45Å; N905-H907 PolarHBondContact O-N 2.8Å; N905-L908 WeakPolarHBondContact O-CA 3.18Å; N905-L908 WeakPolarHBondContact O-CB 3.1Å; N905-L908 PolarHBondContact O-N 2.83Å; N905-D909 PolarHBondContact O-N 2.6Å |
| 906 | Y | 77.5 | Confident | 71.2 | Confident | 111 Ų | 111 | 70 Ų | 70 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53 | -31.9 | 175.9 | -172.8 | -82.9 | 0 | 0 | 0 | 113.3 | A29 D902 D909 E910 | A29-Y906 HydrophobicContact CB-CD2 4.2Å; A29-Y906 HydrophobicContact CB-CE2 4.24Å; D902-Y906 PolarHBondContact O-N 3.49Å; Y906-D909 WeakPolarHBondContact O-CB 3.39Å; Y906-E910 HydrophobicContact CE1-CG 4.13Å; Y906-E910 VanDerWaalsContact CE1-OE1 3.28Å; Y906-E910 WeakPolarHBondContact CE1-OE1 3.21Å; Y906-E910 PolarHBondContact O-N 3.35Å; Y906-E910 PolarHBondContact OH-OE1 3.45Å |
| 907 | H | 79.9 | Confident | 69.6 | Low | 32 Ų | 32 | 69.3 Ų | 69.3 | 15% | 0.148 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77 | -36.8 | 174.6 | 174.3 | 64.7 | 0 | 0 | 0 | 114.3 | C889 F896 F898 K903 F904 N905 D909 C911 | C889-H907 VanDerWaalsContact CB-NE2 3.29Å; C889-H907 WeakPolarHBondContact CB-NE2 3.32Å; C889-H907 PolarHBondContact SG-NE2 3.11Å; F896-H907 AromaticContact CD2-CD2 3.98Å; F896-H907 AromaticContact CD2-NE2 3.87Å; F896-H907 AromaticContact CE2-CD2 3.64Å; F896-H907 AromaticContact CE2-CE1 3.51Å; F896-H907 AromaticContact CE2-NE2 3.06Å; F896-H907 WeakPolarHBondContact CE2-NE2 3.14Å; F896-H907 AromaticContact CZ-CE1 3.26Å; F896-H907 WeakPolarHBondContact CZ-CE1 3.14Å; F896-H907 AromaticContact CZ-ND1 3.88Å; F896-H907 AromaticContact CZ-NE2 3.38Å; F896-H907 WeakPolarHBondContact CZ-NE2 3.35Å; F898-H907 HydrophobicContact CE2-CB 4.12Å; F898-H907 HydrophobicContact CZ-CB 3.77Å; K903-H907 PolarHBondContact O-N 2.95Å; F904-H907 PolarHBondContact O-N 3.36Å; N905-H907 PolarHBondContact O-N 2.8Å; H907-D909 PolarHBondContact O-N 2.8Å; H907-C911 PolarHBondContact CE1-SG 3.49Å; H907-C911 PolarHBondContact NE2-SG 2.63Å; H907-C911 VanDerWaalsContact NE2-SG 3.42Å; H907-C911 PolarHBondContact O-N 3.47Å; H907-C911 PolarHBondContact O-SG 3.35Å |
| 908 | L | 68 | Low | 68 | Low | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 171.3 | -75 | 166.5 | 0 | 0 | 0 | 110.6 | P890 V891 F904 N905 C911 L912 | P890-L908 HydrophobicContact CG-CD2 3.85Å; V891-L908 HydrophobicContact CG2-CD2 4.5Å; F904-L908 HydrophobicContact CD1-CD1 4.08Å; F904-L908 HydrophobicContact CD2-CG 4.49Å; F904-L908 HydrophobicContact CE1-CD1 3.81Å; F904-L908 HydrophobicContact CE1-CG 4.26Å; F904-L908 HydrophobicContact CE2-CD2 4.28Å; F904-L908 HydrophobicContact CE2-CG 4.15Å; F904-L908 HydrophobicContact CZ-CD1 4.07Å; F904-L908 HydrophobicContact CZ-CD2 3.97Å; F904-L908 HydrophobicContact CZ-CG 4.03Å; F904-L908 WeakPolarHBondContact O-CG 3.07Å; F904-L908 PolarHBondContact O-N 3.44Å; N905-L908 WeakPolarHBondContact O-CA 3.18Å; N905-L908 WeakPolarHBondContact O-CB 3.1Å; N905-L908 PolarHBondContact O-N 2.83Å; L908-C911 PolarHBondContact O-N 2.76Å; L908-L912 WeakPolarHBondContact O-CG 3.29Å; L908-L912 PolarHBondContact O-N 3.3Å |
| 909 | D | 68.1 | Low | 66.4 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.1 | -59.9 | -178 | -55.4 | -14.5 | 0 | 0 | 0 | 111.6 | A29 T30 E33 N905 Y906 H907 C911 L912 N913 | A29-D909 WeakPolarHBondContact CB-OD2 3Å; T30-D909 WeakPolarHBondContact CA-OD1 3.39Å; T30-D909 WeakPolarHBondContact CA-OD2 3.32Å; T30-D909 VanDerWaalsContact CB-CG 3.48Å; T30-D909 WeakPolarHBondContact CB-OD1 3.46Å; T30-D909 WeakPolarHBondContact CG2-OD1 3.29Å; T30-D909 PolarHBondContact N-OD2 2.57Å; T30-D909 PolarHBondContact OG1-OD1 3.14Å; T30-D909 PolarHBondContact OG1-OD2 2.87Å; E33-D909 WeakPolarHBondContact CG-O 3.3Å; E33-D909 VanDerWaalsContact OE2-C 3.28Å; E33-D909 WeakPolarHBondContact OE2-CB 3.26Å; N905-D909 PolarHBondContact O-N 2.6Å; Y906-D909 WeakPolarHBondContact O-CB 3.39Å; H907-D909 PolarHBondContact O-N 2.8Å; D909-C911 PolarHBondContact O-N 2.98Å; D909-C911 VanDerWaalsContact O-N 3.17Å; D909-L912 PolarHBondContact O-N 3.29Å; D909-N913 PolarHBondContact O-N 3.06Å |
| 910 | E | 70.6 | Confident | 65.2 | Low | 98 Ų | 98 | 71.5 Ų | 71.5 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -27.5 | -179.2 | -72.3 | -162.6 | -176.4 | 0 | 0 | 112.6 | E33 Y906 | E33-E910 PolarHBondContact OE2-N 3.49Å; Y906-E910 HydrophobicContact CE1-CG 4.13Å; Y906-E910 VanDerWaalsContact CE1-OE1 3.28Å; Y906-E910 WeakPolarHBondContact CE1-OE1 3.21Å; Y906-E910 PolarHBondContact O-N 3.35Å; Y906-E910 PolarHBondContact OH-OE1 3.45Å |
| 911 | C | 62.3 | Low | 64.2 | Low | 18 Ų | 18 | 73.4 Ų | 73.4 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.1 | -37.5 | 174.9 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | V891 H907 L908 D909 N913 | V891-C911 HydrophobicContact CB-CB 3.74Å; V891-C911 HydrophobicContact CG1-CB 3.78Å; V891-C911 WeakPolarHBondContact CG1-O 3.5Å; H907-C911 PolarHBondContact CE1-SG 3.49Å; H907-C911 PolarHBondContact NE2-SG 2.63Å; H907-C911 VanDerWaalsContact NE2-SG 3.42Å; H907-C911 PolarHBondContact O-N 3.47Å; H907-C911 PolarHBondContact O-SG 3.35Å; L908-C911 PolarHBondContact O-N 2.76Å; D909-C911 PolarHBondContact O-N 2.98Å; D909-C911 VanDerWaalsContact O-N 3.17Å; C911-N913 PolarHBondContact O-N 3.09Å |
| 912 | L | 58.9 | Low | 63 | Low | 50 Ų | 50 | 74.7 Ų | 74.7 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -26.1 | 178.7 | -75.4 | 169 | 0 | 0 | 0 | 112.4 | I34 E37 V891 L908 D909 R914 | I34-L912 HydrophobicContact CD1-CD1 3.69Å; I34-L912 HydrophobicContact CG1-CB 4.02Å; I34-L912 HydrophobicContact CG1-CD1 4.06Å; E37-L912 VanDerWaalsContact OE1-O 3.06Å; V891-L912 HydrophobicContact CG1-CD2 4.08Å; V891-L912 HydrophobicContact CG1-CG 4.41Å; V891-L912 HydrophobicContact CG2-CD2 3.74Å; V891-L912 HydrophobicContact CG2-CG 4.06Å; L908-L912 WeakPolarHBondContact O-CG 3.29Å; L908-L912 PolarHBondContact O-N 3.3Å; D909-L912 PolarHBondContact O-N 3.29Å; L912-R914 VanDerWaalsContact C-N 3.26Å; L912-R914 PolarHBondContact O-N 2.82Å |
| 913 | N | 66.4 | Low | 61.7 | Low | 39 Ų | 39 | 75.5 Ų | 75.5 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 6.2 | -177.1 | -156.8 | 7.5 | 0 | 0 | 0 | 116.4 | E33 E37 D909 C911 | E33-N913 HydrophobicContact CG-CB 3.42Å; E33-N913 VanDerWaalsContact CG-CB 3.42Å; E33-N913 WeakPolarHBondContact OE1-CB 3.46Å; E33-N913 VanDerWaalsContact OE1-CG 3.32Å; E33-N913 PolarHBondContact OE1-ND2 2.98Å; E37-N913 VanDerWaalsContact CB-OD1 3.29Å; E37-N913 WeakPolarHBondContact CB-OD1 3.47Å; D909-N913 PolarHBondContact O-N 3.06Å; C911-N913 PolarHBondContact O-N 3.09Å |
| 914 | R | 47.5 | Very low | 60.4 | Low | 201 Ų | 201 | 73.9 Ų | 73.9 | 76% | 0.758 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.4 | -43.1 | -164 | -130.8 | 169.8 | -179.4 | 144.8 | -3 | 115.5 | L912 L918 | L912-R914 VanDerWaalsContact C-N 3.26Å; L912-R914 PolarHBondContact O-N 2.82Å; R914-L918 WeakPolarHBondContact O-CD1 3.47Å |
| 915 | S | 49.1 | Very low | 59 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -92.3 | -41.9 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | I917 L918 | S915-I917 PolarHBondContact O-N 3.05Å; S915-L918 PolarHBondContact O-N 3.37Å; S915-L918 VanDerWaalsContact O-N 3.15Å |
| 916 | A | 49.5 | Very low | 57.5 | Low | 33 Ų | 33 | 78.5 Ų | 78.5 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -24.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V920 | A916-V920 WeakPolarHBondContact O-CG2 3.41Å |
| 917 | I | 52.9 | Low | 55.8 | Low | 41 Ų | 41 | 77.8 Ų | 77.8 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -84.6 | -30.8 | 171.6 | -87.5 | 179.5 | 0 | 0 | 0 | 113.9 | E37 N38 S915 E919 V920 V921 | E37-I917 HydrophobicContact CB-CD1 4.02Å; E37-I917 VanDerWaalsContact CD-CG1 3.41Å; E37-I917 HydrophobicContact CG-CB 4.12Å; E37-I917 HydrophobicContact CG-CD1 3.48Å; E37-I917 VanDerWaalsContact CG-CD1 3.48Å; E37-I917 HydrophobicContact CG-CG1 3.94Å; E37-I917 WeakPolarHBondContact O-CD1 3.03Å; E37-I917 VanDerWaalsContact OE1-CB 3.28Å; E37-I917 WeakPolarHBondContact OE1-CB 3.47Å; E37-I917 WeakPolarHBondContact OE1-CG1 3.43Å; E37-I917 PolarHBondContact OE1-N 2.89Å; E37-I917 WeakPolarHBondContact OE2-CG1 3.44Å; N38-I917 HydrophobicContact CB-CD1 4.16Å; N38-I917 VanDerWaalsContact OD1-CD1 3.24Å; N38-I917 WeakPolarHBondContact OD1-CD1 3.31Å; N38-I917 WeakPolarHBondContact OD1-CG1 3.39Å; S915-I917 PolarHBondContact O-N 3.05Å; I917-E919 PolarHBondContact O-N 2.89Å; I917-V920 PolarHBondContact O-N 3.2Å; I917-V921 HydrophobicContact CG2-CG2 3.79Å; I917-V921 WeakPolarHBondContact O-CB 3.46Å; I917-V921 VanDerWaalsContact O-CG2 3.3Å; I917-V921 WeakPolarHBondContact O-CG2 3.43Å; I917-V921 PolarHBondContact O-N 2.91Å |
| 918 | L | 49.7 | Very low | 53.7 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 60% | 0.602 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.1 | -30.8 | -178.1 | -71.4 | 175.9 | 0 | 0 | 0 | 111.9 | R914 S915 K922 | R914-L918 WeakPolarHBondContact O-CD1 3.47Å; S915-L918 PolarHBondContact O-N 3.37Å; S915-L918 VanDerWaalsContact O-N 3.15Å; L918-K922 VanDerWaalsContact O-CG 3.31Å; L918-K922 WeakPolarHBondContact O-CG 3.41Å; L918-K922 PolarHBondContact O-N 3.49Å |
| 919 | E | 51 | Low | 52.3 | Low | 142 Ų | 142 | 87.1 Ų | 87.1 | 66% | 0.664 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -76 | -48.6 | 172.7 | -64 | -166.1 | 128.4 | 0 | 0 | 112.8 | I917 V921 K922 E923 | I917-E919 PolarHBondContact O-N 2.89Å; E919-V921 VanDerWaalsContact C-N 3.28Å; E919-V921 PolarHBondContact O-N 3.48Å; E919-K922 WeakPolarHBondContact O-CA 3.44Å; E919-K922 WeakPolarHBondContact O-CB 3.45Å; E919-K922 PolarHBondContact O-N 3.32Å; E919-E923 PolarHBondContact O-N 3.42Å |
| 920 | V | 52.9 | Low | 50.7 | Low | 64 Ų | 64 | 90.9 Ų | 90.9 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 112 | A916 I917 T924 | A916-V920 WeakPolarHBondContact O-CG2 3.41Å; I917-V920 PolarHBondContact O-N 3.2Å; V920-T924 WeakPolarHBondContact O-CB 3.33Å; V920-T924 PolarHBondContact O-N 3.33Å; V920-T924 VanDerWaalsContact O-N 3.1Å; V920-T924 PolarHBondContact O-OG1 2.88Å |
| 921 | V | 57.5 | Low | 48.8 | Very low | 74 Ų | 74 | 94.5 Ų | 94.5 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 172.4 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | I917 E919 L925 | I917-V921 HydrophobicContact CG2-CG2 3.79Å; I917-V921 WeakPolarHBondContact O-CB 3.46Å; I917-V921 VanDerWaalsContact O-CG2 3.3Å; I917-V921 WeakPolarHBondContact O-CG2 3.43Å; I917-V921 PolarHBondContact O-N 2.91Å; E919-V921 VanDerWaalsContact C-N 3.28Å; E919-V921 PolarHBondContact O-N 3.48Å; V921-L925 HydrophobicContact CG1-CD1 4.09Å; V921-L925 WeakPolarHBondContact O-CG 3.35Å; V921-L925 PolarHBondContact O-N 3.17Å |
| 922 | K | 51 | Low | 47.2 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -54.6 | 173.3 | -80.9 | 175.6 | 176.3 | -177.8 | 0 | 111.5 | L918 E919 T924 L925 T926 | L918-K922 VanDerWaalsContact O-CG 3.31Å; L918-K922 WeakPolarHBondContact O-CG 3.41Å; L918-K922 PolarHBondContact O-N 3.49Å; E919-K922 WeakPolarHBondContact O-CA 3.44Å; E919-K922 WeakPolarHBondContact O-CB 3.45Å; E919-K922 PolarHBondContact O-N 3.32Å; K922-T924 VanDerWaalsContact C-N 3.27Å; K922-T924 PolarHBondContact O-N 2.81Å; K922-L925 WeakPolarHBondContact O-CA 3.48Å; K922-L925 WeakPolarHBondContact O-CB 3.41Å; K922-L925 PolarHBondContact O-N 3.17Å; K922-T926 PolarHBondContact O-N 3.04Å; K922-T926 PolarHBondContact O-OG1 2.82Å |
| 923 | E | 48.8 | Very low | 45.7 | Very low | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.4 | -41.4 | 179.9 | -73.2 | -166.2 | 124.2 | 0 | 0 | 112.6 | E919 L925 T926 N927 | E919-E923 PolarHBondContact O-N 3.42Å; E923-L925 VanDerWaalsContact C-N 3.25Å; E923-L925 PolarHBondContact O-N 2.79Å; E923-T926 PolarHBondContact O-N 3.07Å; E923-N927 WeakPolarHBondContact O-CB 3.4Å; E923-N927 VanDerWaalsContact O-CG 3.31Å; E923-N927 PolarHBondContact O-N 2.68Å; E923-N927 PolarHBondContact O-ND2 3.35Å |
| 924 | T | 53.3 | Low | 43.7 | Very low | 77 Ų | 77 | 115 Ų | 115 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.2 | -30.1 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | V920 K922 Q928 | V920-T924 WeakPolarHBondContact O-CB 3.33Å; V920-T924 PolarHBondContact O-N 3.33Å; V920-T924 VanDerWaalsContact O-N 3.1Å; V920-T924 PolarHBondContact O-OG1 2.88Å; K922-T924 VanDerWaalsContact C-N 3.27Å; K922-T924 PolarHBondContact O-N 2.81Å; T924-Q928 WeakPolarHBondContact O-CG 3.49Å |
| 925 | L | 48.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77.8 | -44.6 | 172.8 | -75.6 | 164.1 | 0 | 0 | 0 | 111.9 | V921 K922 E923 N927 Q928 L929 | V921-L925 HydrophobicContact CG1-CD1 4.09Å; V921-L925 WeakPolarHBondContact O-CG 3.35Å; V921-L925 PolarHBondContact O-N 3.17Å; K922-L925 WeakPolarHBondContact O-CA 3.48Å; K922-L925 WeakPolarHBondContact O-CB 3.41Å; K922-L925 PolarHBondContact O-N 3.17Å; E923-L925 VanDerWaalsContact C-N 3.25Å; E923-L925 PolarHBondContact O-N 2.79Å; L925-N927 VanDerWaalsContact C-N 3.32Å; L925-N927 PolarHBondContact O-N 2.86Å; L925-Q928 PolarHBondContact O-N 3.06Å; L925-Q928 VanDerWaalsContact O-N 3.16Å; L925-L929 WeakPolarHBondContact O-CG 3.28Å; L925-L929 PolarHBondContact O-N 3.09Å |
| 926 | T | 44.1 | Very low | 41.3 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59 | -44.7 | 178.8 | -42.3 | 0 | 0 | 0 | 0 | 111.3 | K922 E923 Q928 L929 S930 | K922-T926 PolarHBondContact O-N 3.04Å; K922-T926 PolarHBondContact O-OG1 2.82Å; E923-T926 PolarHBondContact O-N 3.07Å; T926-Q928 PolarHBondContact O-N 3.24Å; T926-L929 PolarHBondContact O-N 2.64Å; T926-S930 PolarHBondContact O-N 3.11Å; T926-S930 VanDerWaalsContact O-N 3.13Å; T926-S930 PolarHBondContact O-OG 3.32Å |
| 927 | N | 40.7 | Very low | 39.9 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72 | -12.9 | -178.9 | -67.4 | -24.1 | 0 | 0 | 0 | 113.9 | E923 L925 | E923-N927 WeakPolarHBondContact O-CB 3.4Å; E923-N927 VanDerWaalsContact O-CG 3.31Å; E923-N927 PolarHBondContact O-N 2.68Å; E923-N927 PolarHBondContact O-ND2 3.35Å; L925-N927 VanDerWaalsContact C-N 3.32Å; L925-N927 PolarHBondContact O-N 2.86Å |
| 928 | Q | 37.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -91.6 | -7.7 | 170.1 | -72.8 | -175.6 | 10.6 | 0 | 0 | 113.4 | T924 L925 T926 | T924-Q928 WeakPolarHBondContact O-CG 3.49Å; L925-Q928 PolarHBondContact O-N 3.06Å; L925-Q928 VanDerWaalsContact O-N 3.16Å; T926-Q928 PolarHBondContact O-N 3.24Å |
| 929 | L | 37.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -99.1 | -33.4 | 175.9 | -66 | 170.3 | 0 | 0 | 0 | 111.8 | L925 T926 E931 | L925-L929 WeakPolarHBondContact O-CG 3.28Å; L925-L929 PolarHBondContact O-N 3.09Å; T926-L929 PolarHBondContact O-N 2.64Å; L929-E931 PolarHBondContact O-N 3.12Å |
| 930 | S | 35.7 | Very low | 35.7 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 56% | 0.559 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -23.2 | 179.7 | 51 | 0 | 0 | 0 | 0 | 114.9 | T926 R932 | T926-S930 PolarHBondContact O-N 3.11Å; T926-S930 VanDerWaalsContact O-N 3.13Å; T926-S930 PolarHBondContact O-OG 3.32Å; S930-R932 PolarHBondContact O-N 3.05Å |
| 931 | E | 30.4 | Very low | 34.2 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 20.3 | 179.9 | -66.2 | -168.1 | 153.2 | 0 | 0 | 114.5 | L929 | L929-E931 PolarHBondContact O-N 3.12Š|
| 932 | R | 29.2 | Very low | 32.5 | Very low | 207 Ų | 207 | 131 Ų | 131 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -115.1 | -25.4 | -179 | -73.8 | -168.4 | 170.4 | -158 | -4.5 | 116.9 | S930 | S930-R932 PolarHBondContact O-N 3.05Š|
| 933 | D | 27 | Very low | 31.1 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -109 | 43.7 | -167.1 | -67.4 | -34.8 | 0 | 0 | 0 | 114.5 | ||
| 934 | H | 24.8 | Very low | 29.9 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | trans | -135.5 | 75.4 | 174.3 | -93.6 | 23.4 | 0 | 0 | 0 | 112.9 | ||||
| 935 | C | 21.6 | Very low | 28.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | 158 | 103.8 | 135.4 | -172 | 0 | 0 | 0 | 0 | 112 | ||||
| 936 | S | 24.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -175.5 | 92.6 | 149.3 | 27.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 937 | T | 20.1 | Very low | 26.3 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -90.9 | 118 | 170.7 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 938 | I | 22.4 | Very low | 25.7 | Very low | 160 Ų | 160 | 140 Ų | 140 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -167.2 | 129.2 | 152.9 | -106.3 | 152.6 | 0 | 0 | 0 | 112.6 | ||||
| 939 | S | 21.3 | Very low | 25.1 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 46.9 | 115.9 | 151 | -54.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 940 | Q | 22.1 | Very low | 24.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | 79.5 | 100.6 | 122.6 | -66.9 | 177.5 | -3.9 | 0 | 0 | 122 | |||||
| 941 | S | 20.5 | Very low | 24.1 | Very low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | 50.5 | 115.9 | 129.3 | 61.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 942 | N | 23 | Very low | 23.7 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | -165.2 | 166.6 | 97.1 | -104.9 | -40.6 | 0 | 0 | 0 | 113.8 | |||||
| 943 | H | 21 | Very low | 23.5 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 147.5 | -178.3 | -66.6 | -107.6 | 0 | 0 | 0 | 113.3 | ||||
| 944 | L | 23.6 | Very low | 23.2 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | 178.5 | 155.1 | 102.8 | -93.8 | 171.6 | 0 | 0 | 0 | 114.8 | |||||
| 945 | N | 21.4 | Very low | 23 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 149.7 | -171 | -47 | -35.9 | 0 | 0 | 0 | 116.1 | ||||
| 946 | S | 24.6 | Very low | 23.2 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | 174.9 | 169.4 | 109.1 | 46 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 947 | S | 23.7 | Very low | 23 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 161.8 | -167.9 | -95.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 948 | P | 28.4 | Very low | 23.1 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 164 | -175.1 | 35.5 | -37.6 | 0 | 0 | 0 | 114.2 | ||||
| 949 | N | 25.4 | Very low | 23.1 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 151.4 | 165.9 | -105.7 | -41.8 | 0 | 0 | 0 | 110.5 | ||||
| 950 | D | 23.1 | Very low | 23 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -63.6 | 141.5 | -178.8 | -89.3 | -59.1 | 0 | 0 | 0 | 113.9 | ||||
| 951 | I | 28.1 | Very low | 23.1 | Very low | 161 Ų | 161 | 157 Ų | 157 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -123.6 | 97.4 | 169.5 | -59.3 | -177.2 | 0 | 0 | 0 | 109.5 | ||||
| 952 | G | 22.5 | Very low | 23.2 | Very low | 67 Ų | 67 | 160.4 Ų | 160.4 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 138 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R954 | G952-R954 PolarHBondContact O-N 2.85Š|
| 953 | I | 24 | Very low | 23.1 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 88% | 0.882 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.6 | -178.8 | -61.2 | 171.1 | 0 | 0 | 0 | 111.1 | ||
| 954 | R | 21.4 | Very low | 23.1 | Very low | 239 Ų | 239 | 160.4 Ų | 160.4 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 133.8 | 170.9 | -80.3 | -175 | 169.3 | -176.7 | -1.8 | 112.2 | G952 | G952-R954 PolarHBondContact O-N 2.85Š|
| 955 | K | 20.4 | Very low | 22.9 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 85% | 0.848 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 132.7 | 168.1 | -67 | 178 | 179.5 | 175.1 | 0 | 110.7 | ||
| 956 | P | 25.6 | Very low | 23.1 | Very low | 128 Ų | 128 | 161.1 Ų | 161.1 | 83% | 0.831 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 153.2 | 166.7 | -21.4 | 34.2 | 0 | 0 | 0 | 112.4 | ||
| 957 | K | 21.1 | Very low | 23 | Very low | 206 Ų | 206 | 163.8 Ų | 163.8 | 90% | 0.896 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.4 | 178.9 | -77.1 | -175.3 | 175.8 | -179.3 | 0 | 112.6 | ||
| 958 | L | 20.9 | Very low | 23.1 | Very low | 174 Ų | 174 | 166.3 Ų | 166.3 | 91% | 0.911 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.2 | 168.9 | -170.2 | 73.6 | 0 | 0 | 0 | 110.5 | ||
| 959 | Q | 22.8 | Very low | 22.9 | Very low | 186 Ų | 186 | 166.1 Ų | 166.1 | 87% | 0.869 | 85% | 0.853 | S | S | * | * | trans | -107.9 | 143.8 | 163.9 | -85.8 | -172.9 | -21.8 | 0 | 0 | 110.6 | ||||
| 960 | K | 19.6 | Very low | 23 | Very low | 194 Ų | 194 | 166 Ų | 166 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | trans | -102.9 | 118.8 | -177.5 | -177.9 | -174.5 | -179.8 | -168.2 | 0 | 107.7 | ||||
| 961 | L | 24.7 | Very low | 23.3 | Very low | 175 Ų | 175 | 163.5 Ų | 163.5 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -112.3 | 137.8 | 177.9 | -116.3 | 160.1 | 0 | 0 | 0 | 109.1 | ||||
| 962 | E | 21.5 | Very low | 23.2 | Very low | 168 Ų | 168 | 161.7 Ų | 161.7 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -91.9 | 150.4 | -158.6 | -60.5 | -174.8 | 128.6 | 0 | 0 | 113.7 | K964 | E962-K964 PolarHBondContact O-N 2.8Š| ||
| 963 | S | 20.8 | Very low | 23.7 | Very low | 122 Ų | 122 | 163 Ų | 163 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -74.6 | 111 | -178.9 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 964 | K | 22.6 | Very low | 24.3 | Very low | 201 Ų | 201 | 160.9 Ų | 160.9 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | trans | -87.3 | 135.9 | 155.3 | -76.7 | -170.7 | 174.3 | -176.9 | 0 | 110 | E962 | E962-K964 PolarHBondContact O-N 2.8Š| ||
| 965 | Q | 19.3 | Very low | 25.3 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | -76.3 | 132.8 | 170.5 | -67.7 | 167.6 | -35.2 | 0 | 0 | 109.5 | ||||
| 966 | S | 25.2 | Very low | 25.8 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -139.8 | 130.7 | 163.2 | 60.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 967 | E | 22.5 | Very low | 26.5 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -76.7 | 148.6 | -165.3 | -60 | 171.3 | 126.4 | 0 | 0 | 113.3 | S969 | E967-S969 PolarHBondContact O-N 3.33Š| ||
| 968 | N | 24.7 | Very low | 27 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | 43.7 | 68.3 | 156.9 | -65 | -17.5 | 0 | 0 | 0 | 118.4 | ||||
| 969 | S | 24.3 | Very low | 28.2 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -108.2 | 107.3 | 152.9 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | E967 | E967-S969 PolarHBondContact O-N 3.33Š| ||
| 970 | N | 27.2 | Very low | 29 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -60.9 | 146.1 | 175.4 | -88.6 | -30.3 | 0 | 0 | 0 | 111.3 | S972 | N970-S972 PolarHBondContact O-N 3.15Š| ||
| 971 | P | 30 | Very low | 29.9 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -64.8 | 130.9 | -172.8 | 26.1 | -34.7 | 0 | 0 | 0 | 111.7 | T973 | P971-T973 PolarHBondContact O-N 2.86Š| ||
| 972 | S | 27.1 | Very low | 30.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -71.5 | 89 | -179 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | N970 S974 | N970-S972 PolarHBondContact O-N 3.15Å; S972-S974 PolarHBondContact O-N 3.03Å | ||
| 973 | T | 33 | Very low | 31.3 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 59% | 0.589 | 72% | 0.723 | S | S | * | * | trans | -59 | 129.3 | 163.2 | 25.4 | 0 | 0 | 0 | 0 | 109.8 | P971 H975 | P971-T973 PolarHBondContact O-N 2.86Å; T973-H975 VanDerWaalsContact C-N 3.27Å; T973-H975 WeakPolarHBondContact CB-NE2 3.41Å; T973-H975 PolarHBondContact O-CD2 3.26Å; T973-H975 PolarHBondContact O-N 2.71Å; T973-H975 PolarHBondContact OG1-CD2 3.05Å; T973-H975 PolarHBondContact OG1-NE2 2.94Å | ||
| 974 | S | 35.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 72% | 0.717 | S | S | * | * | trans | -76.5 | 77.5 | -177.7 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | S972 | S972-S974 PolarHBondContact O-N 3.03Š| ||
| 975 | H | 41.9 | Very low | 32.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 57% | 0.565 | 71% | 0.713 | S | S | * | * | trans | -65.8 | 140.3 | -175 | -77.7 | -68.3 | 0 | 0 | 0 | 113.2 | T973 D979 | T973-H975 VanDerWaalsContact C-N 3.27Å; T973-H975 WeakPolarHBondContact CB-NE2 3.41Å; T973-H975 PolarHBondContact O-CD2 3.26Å; T973-H975 PolarHBondContact O-N 2.71Å; T973-H975 PolarHBondContact OG1-CD2 3.05Å; T973-H975 PolarHBondContact OG1-NE2 2.94Å; H975-D979 VanDerWaalsContact CA-OD2 3.23Å; H975-D979 WeakPolarHBondContact CA-OD2 3.11Å; H975-D979 HydrophobicContact CB-CB 4.27Å; H975-D979 VanDerWaalsContact CB-OD2 3.27Å; H975-D979 WeakPolarHBondContact CB-OD2 3.45Å; H975-D979 IonicContact CE1-OD2 3.84Å; H975-D979 IonicContact CG-OD2 2.71Å; H975-D979 IonicContact ND1-OD2 2.76Å; H975-D979 PolarHBondContact ND1-OD2 3.46Å | ||
| 976 | G | 32.1 | Very low | 33.1 | Very low | 32 Ų | 32 | 125.8 Ų | 125.8 | 33% | 0.33 | 70% | 0.704 | S | S | . | * | trans | -79.8 | 159.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L978 D979 | G976-L978 PolarHBondContact O-N 3.03Å; G976-D979 PolarHBondContact N-OD2 3.17Å; G976-D979 PolarHBondContact O-N 2.83Å | ||
| 977 | P | 39.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -8.3 | 179.9 | 26.4 | -35 | 0 | 0 | 0 | 114.5 | ||
| 978 | L | 31.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -16.8 | 174.9 | -63.2 | 176.1 | 0 | 0 | 0 | 113.6 | G976 K980 F981 | G976-L978 PolarHBondContact O-N 3.03Å; L978-K980 PolarHBondContact O-N 2.89Å; L978-K980 VanDerWaalsContact O-N 3.14Å; L978-F981 PolarHBondContact O-N 3.38Å |
| 979 | D | 46.3 | Very low | 33.9 | Very low | 45 Ų | 45 | 123.7 Ų | 123.7 | 24% | 0.241 | 69% | 0.693 | C | S | . | * | G | 310 helix | trans | -66.8 | -23.6 | -169.9 | -63.2 | -7 | 0 | 0 | 0 | 112.5 | H975 G976 F981 I982 F983 | H975-D979 VanDerWaalsContact CA-OD2 3.23Å; H975-D979 WeakPolarHBondContact CA-OD2 3.11Å; H975-D979 HydrophobicContact CB-CB 4.27Å; H975-D979 VanDerWaalsContact CB-OD2 3.27Å; H975-D979 WeakPolarHBondContact CB-OD2 3.45Å; H975-D979 IonicContact CE1-OD2 3.84Å; H975-D979 IonicContact CG-OD2 2.71Å; H975-D979 IonicContact ND1-OD2 2.76Å; H975-D979 PolarHBondContact ND1-OD2 3.46Å; G976-D979 PolarHBondContact N-OD2 3.17Å; G976-D979 PolarHBondContact O-N 2.83Å; D979-F981 PolarHBondContact O-N 2.96Å; D979-I982 PolarHBondContact O-N 2.6Å; D979-F983 PolarHBondContact O-N 3.26Å |
| 980 | K | 38.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -59.3 | -22.4 | 170.9 | -79.2 | -169.5 | 173.6 | -175 | 0 | 114.2 | L978 | L978-K980 PolarHBondContact O-N 2.89Å; L978-K980 VanDerWaalsContact O-N 3.14Å |
| 981 | F | 39.3 | Very low | 35.1 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -96.3 | -11.8 | -179.9 | -62.1 | -83 | 0 | 0 | 0 | 113.3 | L978 D979 | L978-F981 PolarHBondContact O-N 3.38Å; D979-F981 PolarHBondContact O-N 2.96Å |
| 982 | I | 40.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.3 | -35.4 | -173.7 | -60.3 | 175.4 | 0 | 0 | 0 | 111.8 | D979 | D979-I982 PolarHBondContact O-N 2.6Š|
| 983 | F | 35.9 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -110.5 | 6 | -166.7 | -68 | -71.4 | 0 | 0 | 0 | 116.1 | D979 | D979-F983 PolarHBondContact O-N 3.26Š|
| 984 | N | 30.8 | Very low | 36 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -108.5 | 64 | 176.7 | -78.7 | -13.4 | 0 | 0 | 0 | 112.2 | ||||
| 985 | L | 32.4 | Very low | 36 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | -79.7 | 132.9 | 155.5 | -89.7 | 82.2 | 0 | 0 | 0 | 108.7 | T987 | L985-T987 PolarHBondContact O-N 2.88Š| ||
| 986 | P | 36.3 | Very low | 35.7 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -59.6 | 132.6 | 176 | -24.1 | 34.4 | 0 | 0 | 0 | 111.9 | V988 | P986-V988 PolarHBondContact O-N 3.4Š| ||
| 987 | T | 33.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -71.4 | 98 | 175.8 | -47.3 | 0 | 0 | 0 | 0 | 110 | L985 Q989 | L985-T987 PolarHBondContact O-N 2.88Å; T987-Q989 PolarHBondContact O-N 3.21Å; T987-Q989 VanDerWaalsContact O-N 3.08Å | ||
| 988 | V | 29.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | trans | -69.1 | 103.3 | 168.7 | -179.1 | 0 | 0 | 0 | 0 | 108 | P986 F990 | P986-V988 PolarHBondContact O-N 3.4Å; V988-F990 HydrophobicContact CB-CE2 4.46Å; V988-F990 HydrophobicContact CG1-CD2 4.02Å; V988-F990 HydrophobicContact CG1-CE2 3.68Å; V988-F990 HydrophobicContact CG1-CZ 4.17Å; V988-F990 PolarHBondContact O-N 3.25Å | ||
| 989 | Q | 26 | Very low | 35.9 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -72.3 | 120.8 | 166 | -63.4 | -174.9 | -90.2 | 0 | 0 | 108.2 | T987 | T987-Q989 PolarHBondContact O-N 3.21Å; T987-Q989 VanDerWaalsContact O-N 3.08Å | ||
| 990 | F | 35.2 | Very low | 35.1 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -92.4 | 136.5 | 157.4 | -72.9 | -90.5 | 0 | 0 | 0 | 107.5 | V988 | V988-F990 HydrophobicContact CB-CE2 4.46Å; V988-F990 HydrophobicContact CG1-CD2 4.02Å; V988-F990 HydrophobicContact CG1-CE2 3.68Å; V988-F990 HydrophobicContact CG1-CZ 4.17Å; V988-F990 PolarHBondContact O-N 3.25Å | ||
| 991 | D | 42.4 | Very low | 34.8 | Very low | 243 Ų | 243 | 152.7 Ų | 152.7 | 100% | 1.299 | 79% | 0.785 | S | S | * | * | trans | -70.8 | 0 | 167.8 | -70.3 | -49 | 0 | 0 | 0 | 111.4 |
Retrieved 991 of 991 residues in 1011.7 ms
(Link to these results)