| 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 | 43.4 | Very low | 42.8 | Very low | 204 Ų | 204 | 156.5 Ų | 156.5 | 100% | 1.005 | 72% | 0.721 | S | S | * | * | 0 | -40.3 | 0 | -71.2 | -157.2 | -177.5 | 0 | 0 | 117.2 | E4 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.16Å | |||
| 2 | K | 43.3 | Very low | 42.8 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -101.5 | -6.9 | 172.5 | -89.6 | -173.4 | 178.1 | 179.8 | 0 | 115.5 | ||||
| 3 | R | 39.7 | Very low | 43.4 | Very low | 226 Ų | 226 | 146.5 Ų | 146.5 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -93.7 | -32.1 | 175.7 | -93.8 | 179.8 | 170.7 | 169.8 | -3.8 | 113.6 | K5 K6 | R3-K5 VanDerWaalsContact C-N 3.33Å; R3-K5 PolarHBondContact O-N 3.17Å; R3-K6 PolarHBondContact O-N 3.31Å |
| 4 | E | 42.8 | Very low | 44.5 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -71.8 | -22.5 | -176.8 | -68.5 | 141.4 | 148.7 | 0 | 0 | 113.9 | M1 K6 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.16Å; E4-K6 VanDerWaalsContact C-N 3.29Å; E4-K6 PolarHBondContact O-N 3.04Å |
| 5 | K | 43.3 | Very low | 45.8 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -78.4 | -7.6 | 176.9 | -85.3 | -172.6 | 172.7 | -174.4 | 0 | 114.7 | R3 | R3-K5 VanDerWaalsContact C-N 3.33Å; R3-K5 PolarHBondContact O-N 3.17Å |
| 6 | K | 39.8 | Very low | 47.1 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -94.6 | -13.7 | -179.2 | -136.6 | 179.7 | -177.2 | -174.3 | 0 | 113.1 | R3 E4 | R3-K6 PolarHBondContact O-N 3.31Å; E4-K6 VanDerWaalsContact C-N 3.29Å; E4-K6 PolarHBondContact O-N 3.04Å |
| 7 | D | 43.1 | Very low | 48.5 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 56% | 0.556 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -26 | 178.5 | -66.2 | -32 | 0 | 0 | 0 | 112 | E9 N10 | D7-E9 PolarHBondContact O-N 3.03Å; D7-N10 PolarHBondContact O-N 3.25Å |
| 8 | E | 41.6 | Very low | 49.6 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -28.6 | 175.7 | -70.4 | -177.2 | 159.2 | 0 | 0 | 113.2 | ||
| 9 | E | 43.1 | Very low | 50.7 | Low | 149 Ų | 149 | 127.7 Ų | 127.7 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -20.7 | 175.6 | -74.1 | -177.6 | 164.2 | 0 | 0 | 113.1 | D7 | D7-E9 PolarHBondContact O-N 3.03Š|
| 10 | N | 45.8 | Very low | 51.9 | Low | 115 Ų | 115 | 122.9 Ų | 122.9 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -19 | 175.2 | -81.3 | -30.1 | 0 | 0 | 0 | 113 | D7 A12 A13 | D7-N10 PolarHBondContact O-N 3.25Å; N10-A12 PolarHBondContact O-N 2.89Å; N10-A13 PolarHBondContact O-N 3.28Å |
| 11 | I | 45.3 | Very low | 53.3 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 61% | 0.605 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -70.5 | -23 | 174.4 | -59.1 | 170.2 | 0 | 0 | 0 | 110.7 | A13 S14 | I11-A13 PolarHBondContact O-N 2.83Å; I11-S14 WeakPolarHBondContact O-CB 3.31Å; I11-S14 PolarHBondContact O-N 2.79Å |
| 12 | A | 42.9 | Very low | 55.2 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -70.3 | -13 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N10 | N10-A12 PolarHBondContact O-N 2.89Š|
| 13 | A | 49.8 | Very low | 57.2 | Low | 89 Ų | 89 | 106.6 Ų | 106.6 | 74% | 0.736 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -92.9 | 0.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N10 I11 | N10-A13 PolarHBondContact O-N 3.28Å; I11-A13 PolarHBondContact O-N 2.83Å |
| 14 | S | 59.4 | Low | 59.4 | Low | 58 Ų | 58 | 98.8 Ų | 98.8 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -65.8 | 136.8 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | I11 | I11-S14 WeakPolarHBondContact O-CB 3.31Å; I11-S14 PolarHBondContact O-N 2.79Å |
| 15 | N | 64.2 | Low | 61.5 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | trans | -53.1 | 128.2 | -178.7 | 178.7 | -17.7 | 0 | 0 | 0 | 109.4 | Y17 V18 Y51 | N15-Y17 PolarHBondContact O-N 3.48Å; N15-Y17 VanDerWaalsContact OD1-CD2 3.23Å; N15-Y17 WeakPolarHBondContact OD1-CD2 3.28Å; N15-Y17 PolarHBondContact OD1-N 2.91Å; N15-V18 HydrophobicContact CB-CG2 3.92Å; N15-V18 VanDerWaalsContact O-CG2 3.23Å; N15-V18 WeakPolarHBondContact O-CG2 3.24Å; N15-V18 PolarHBondContact O-N 2.82Å; N15-Y51 WeakPolarHBondContact ND2-CE2 3.23Å | ||
| 16 | P | 66.6 | Low | 63.5 | Low | 111 Ų | 111 | 86.1 Ų | 86.1 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -8.8 | -172.9 | 22.2 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 17 | Y | 71.3 | Confident | 65.8 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 22% | 0.22 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 2.4 | -178 | -50.6 | -55.1 | 0 | 0 | 0 | 114.7 | N15 N19 C20 K48 Y51 | N15-Y17 PolarHBondContact O-N 3.48Å; N15-Y17 VanDerWaalsContact OD1-CD2 3.23Å; N15-Y17 WeakPolarHBondContact OD1-CD2 3.28Å; N15-Y17 PolarHBondContact OD1-N 2.91Å; Y17-N19 PolarHBondContact O-N 3.44Å; Y17-N19 VanDerWaalsContact O-N 3.11Å; Y17-C20 WeakPolarHBondContact O-CB 3.39Å; Y17-C20 PolarHBondContact O-N 2.81Å; Y17-C20 VanDerWaalsContact O-N 3.07Å; Y17-C20 PolarHBondContact O-SG 2.89Å; Y17-K48 HydrophobicContact CD1-CB 4.37Å; Y17-K48 HydrophobicContact CD1-CD 4.49Å; Y17-K48 HydrophobicContact CD1-CG 3.4Å; Y17-K48 HydrophobicContact CE1-CG 3.6Å; Y17-K48 HydrophobicContact CG-CG 4.31Å; Y17-Y51 VanDerWaalsContact CB-CD1 3.47Å; Y17-Y51 WeakPolarHBondContact O-CD1 3.34Å; Y17-Y51 WeakPolarHBondContact O-CE1 3.15Å |
| 18 | V | 67.4 | Low | 67.9 | Low | 69 Ų | 69 | 81.9 Ų | 81.9 | 42% | 0.418 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32 | -174.4 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | N15 | N15-V18 HydrophobicContact CB-CG2 3.92Å; N15-V18 VanDerWaalsContact O-CG2 3.23Å; N15-V18 WeakPolarHBondContact O-CG2 3.24Å; N15-V18 PolarHBondContact O-N 2.82Å |
| 19 | N | 70.9 | Confident | 70 | Confident | 159 Ų | 159 | 75.1 Ų | 75.1 | 85% | 0.85 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 19.8 | -177.9 | -62.7 | -20.3 | 0 | 0 | 0 | 113.6 | Y17 | Y17-N19 PolarHBondContact O-N 3.44Å; Y17-N19 VanDerWaalsContact O-N 3.11Å |
| 20 | C | 73.6 | Confident | 72.1 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 21% | 0.209 | 43% | 0.428 | C | S | . | . | trans | -78 | 125.4 | 179.9 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | Y17 V25 I52 | Y17-C20 WeakPolarHBondContact O-CB 3.39Å; Y17-C20 PolarHBondContact O-N 2.81Å; Y17-C20 VanDerWaalsContact O-N 3.07Å; Y17-C20 PolarHBondContact O-SG 2.89Å; C20-V25 HydrophobicContact CB-CG2 3.96Å; C20-I52 HydrophobicContact CB-CD1 3.97Å; C20-I52 HydrophobicContact CB-CG1 4.2Å | ||
| 21 | D | 82.3 | Confident | 74 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -93.2 | 142 | 174.1 | 170 | 45.3 | 0 | 0 | 0 | 111.6 | T23 T24 V25 | D21-T23 VanDerWaalsContact C-N 3.27Å; D21-T23 PolarHBondContact O-N 3.23Å; D21-T23 PolarHBondContact OD2-N 3.32Å; D21-T23 PolarHBondContact OD2-OG1 2.97Å; D21-T24 PolarHBondContact O-N 3.34Å; D21-V25 PolarHBondContact O-N 3.04Å | ||
| 22 | K | 83.4 | Confident | 76 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -44.3 | -51.9 | 176.5 | -170.3 | 177.9 | 160.5 | 174 | 0 | 112.4 | T24 V25 L26 E57 K58 E63 | K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 2.86Å; K22-V25 PolarHBondContact O-N 3.37Å; K22-L26 HydrophobicContact CG-CD1 3.97Å; K22-L26 WeakPolarHBondContact O-CB 3.42Å; K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 2.85Å; K22-E57 WeakPolarHBondContact CB-OE2 3.23Å; K22-E57 WeakPolarHBondContact CG-OE2 3.28Å; K22-K58 PolarHBondContact NZ-O 2.8Å; K22-E63 WeakPolarHBondContact CE-OE1 3.31Å; K22-E63 WeakPolarHBondContact CE-OE2 3.4Å; K22-E63 IonicContact NZ-OE1 3.01Å; K22-E63 PolarHBondContact NZ-OE1 3.13Å; K22-E63 IonicContact NZ-OE2 2.96Å; K22-E63 PolarHBondContact NZ-OE2 3.01Å |
| 23 | T | 85.3 | Confident | 78 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | -171.1 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | D21 Q27 | D21-T23 VanDerWaalsContact C-N 3.27Å; D21-T23 PolarHBondContact O-N 3.23Å; D21-T23 PolarHBondContact OD2-N 3.32Å; D21-T23 PolarHBondContact OD2-OG1 2.97Å; T23-Q27 WeakPolarHBondContact O-CB 3.35Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.42Å; T23-Q27 PolarHBondContact O-N 3.46Å |
| 24 | T | 86.3 | Confident | 79.6 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 178.3 | -56 | 0 | 0 | 0 | 0 | 110.7 | D21 K22 Q27 E28 | D21-T24 PolarHBondContact O-N 3.34Å; K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 2.86Å; T24-Q27 WeakPolarHBondContact O-CB 3.37Å; T24-Q27 PolarHBondContact O-N 3.42Å; T24-E28 WeakPolarHBondContact O-CG 3.31Å; T24-E28 PolarHBondContact O-N 3.27Å |
| 25 | V | 86.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.7 | -37.3 | -178.5 | 179 | 0 | 0 | 0 | 0 | 112.1 | C20 D21 K22 Q27 E28 S29 K48 F49 I52 | C20-V25 HydrophobicContact CB-CG2 3.96Å; D21-V25 PolarHBondContact O-N 3.04Å; K22-V25 PolarHBondContact O-N 3.37Å; V25-Q27 VanDerWaalsContact C-N 3.3Å; V25-Q27 PolarHBondContact O-N 2.98Å; V25-E28 PolarHBondContact O-N 3.43Å; V25-S29 PolarHBondContact O-N 3.42Å; V25-K48 HydrophobicContact CG1-CB 4.02Å; V25-K48 HydrophobicContact CG2-CB 3.9Å; V25-K48 HydrophobicContact CG2-CD 4.27Å; V25-F49 HydrophobicContact CG1-CB 3.73Å; V25-F49 HydrophobicContact CG1-CD2 4.1Å; V25-F49 HydrophobicContact CG1-CG 4.43Å; V25-I52 HydrophobicContact CB-CD1 3.67Å; V25-I52 HydrophobicContact CG1-CD1 4.21Å; V25-I52 HydrophobicContact CG2-CD1 3.38Å |
| 26 | L | 86.1 | Confident | 81.3 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 171.5 | -74.8 | 174.1 | 0 | 0 | 0 | 111.7 | K22 S29 F49 L59 E63 A67 | K22-L26 HydrophobicContact CG-CD1 3.97Å; K22-L26 WeakPolarHBondContact O-CB 3.42Å; K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 2.85Å; L26-S29 PolarHBondContact O-N 2.99Å; L26-S29 PolarHBondContact O-OG 3.09Å; L26-F49 HydrophobicContact CD2-CD2 4.48Å; L26-F49 HydrophobicContact CD2-CE2 3.79Å; L26-L59 HydrophobicContact CD1-CD2 4.22Å; L26-L59 HydrophobicContact CD2-CD2 4.34Å; L26-E63 HydrophobicContact CD1-CB 4.48Å; L26-E63 HydrophobicContact CD1-CG 4.21Å; L26-A67 HydrophobicContact CD2-CB 4.48Å |
| 27 | Q | 86.6 | Confident | 82.1 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | 174.1 | -72.8 | 174.8 | 16.8 | 0 | 0 | 112.4 | T23 T24 V25 S29 R30 | T23-Q27 WeakPolarHBondContact O-CB 3.35Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.42Å; T23-Q27 PolarHBondContact O-N 3.46Å; T24-Q27 WeakPolarHBondContact O-CB 3.37Å; T24-Q27 PolarHBondContact O-N 3.42Å; V25-Q27 VanDerWaalsContact C-N 3.3Å; V25-Q27 PolarHBondContact O-N 2.98Å; Q27-S29 PolarHBondContact O-N 3.41Å; Q27-R30 VanDerWaalsContact O-CB 3.29Å; Q27-R30 WeakPolarHBondContact O-CB 3.37Å; Q27-R30 WeakPolarHBondContact O-CG 3.09Å; Q27-R30 PolarHBondContact O-N 3.08Å; Q27-R30 VanDerWaalsContact O-N 3.14Å |
| 28 | E | 87.4 | Confident | 82.8 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59 | -35.9 | 175.3 | -73.5 | -177.4 | -177.5 | 0 | 0 | 111.5 | T24 V25 R30 Q31 I45 K48 | T24-E28 WeakPolarHBondContact O-CG 3.31Å; T24-E28 PolarHBondContact O-N 3.27Å; V25-E28 PolarHBondContact O-N 3.43Å; E28-R30 PolarHBondContact O-N 3.34Å; E28-Q31 VanDerWaalsContact O-CB 3.3Å; E28-Q31 WeakPolarHBondContact O-CB 3.43Å; E28-Q31 WeakPolarHBondContact O-CG 3.41Å; E28-Q31 PolarHBondContact O-N 3.36Å; E28-I45 HydrophobicContact CB-CD1 4.35Å; E28-I45 HydrophobicContact CB-CG1 4.23Å; E28-I45 HydrophobicContact CB-CG2 3.81Å; E28-K48 VanDerWaalsContact CD-NZ 3.27Å; E28-K48 IonicContact OE1-NZ 2.82Å; E28-K48 PolarHBondContact OE1-NZ 2.84Å; E28-K48 WeakPolarHBondContact OE2-CD 2.88Å; E28-K48 IonicContact OE2-NZ 3.96Å; E28-K48 PolarHBondContact OE2-NZ 3.38Å |
| 29 | S | 86.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -60.1 | -18.6 | 178.5 | 78.4 | 0 | 0 | 0 | 0 | 114 | V25 L26 Q27 Q31 F32 | V25-S29 PolarHBondContact O-N 3.42Å; L26-S29 PolarHBondContact O-N 2.99Å; L26-S29 PolarHBondContact O-OG 3.09Å; Q27-S29 PolarHBondContact O-N 3.41Å; S29-Q31 PolarHBondContact O-N 3.33Å; S29-F32 VanDerWaalsContact O-CB 3.26Å; S29-F32 WeakPolarHBondContact O-CB 3.19Å; S29-F32 WeakPolarHBondContact O-CD2 3.49Å; S29-F32 WeakPolarHBondContact O-CG 3.44Å; S29-F32 PolarHBondContact O-N 3.3Å |
| 30 | R | 85.9 | Confident | 84.6 | Confident | 176 Ų | 176 | 70.8 Ų | 70.8 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.7 | 173.2 | -63.8 | 179.2 | 177 | 176.6 | -0.4 | 112.6 | Q27 E28 F32 N33 | Q27-R30 VanDerWaalsContact O-CB 3.29Å; Q27-R30 WeakPolarHBondContact O-CB 3.37Å; Q27-R30 WeakPolarHBondContact O-CG 3.09Å; Q27-R30 PolarHBondContact O-N 3.08Å; Q27-R30 VanDerWaalsContact O-N 3.14Å; E28-R30 PolarHBondContact O-N 3.34Å; R30-F32 PolarHBondContact O-N 3.48Å; R30-N33 WeakPolarHBondContact O-CB 3.41Å; R30-N33 PolarHBondContact O-N 3.45Å; R30-N33 VanDerWaalsContact O-N 3.08Å |
| 31 | Q | 85.6 | Confident | 85.3 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -63.4 | -17.6 | 174.5 | -65.6 | 177.1 | 0.4 | 0 | 0 | 112.5 | E28 S29 N33 E34 I45 | E28-Q31 VanDerWaalsContact O-CB 3.3Å; E28-Q31 WeakPolarHBondContact O-CB 3.43Å; E28-Q31 WeakPolarHBondContact O-CG 3.41Å; E28-Q31 PolarHBondContact O-N 3.36Å; S29-Q31 PolarHBondContact O-N 3.33Å; Q31-N33 PolarHBondContact O-N 3.06Å; Q31-N33 VanDerWaalsContact O-N 3.15Å; Q31-E34 WeakPolarHBondContact O-CG 3.13Å; Q31-E34 PolarHBondContact O-N 3.48Å; Q31-I45 HydrophobicContact CB-CD1 4.24Å |
| 32 | F | 88.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -65.5 | -13.6 | 173.2 | -55 | -21.3 | 0 | 0 | 0 | 113.2 | S29 R30 C42 I45 L46 L70 I71 L74 | S29-F32 VanDerWaalsContact O-CB 3.26Å; S29-F32 WeakPolarHBondContact O-CB 3.19Å; S29-F32 WeakPolarHBondContact O-CD2 3.49Å; S29-F32 WeakPolarHBondContact O-CG 3.44Å; S29-F32 PolarHBondContact O-N 3.3Å; R30-F32 PolarHBondContact O-N 3.48Å; F32-C42 HydrophobicContact CD1-CB 4.17Å; F32-C42 HydrophobicContact CE1-CB 4.03Å; F32-I45 HydrophobicContact CE1-CB 3.86Å; F32-I45 HydrophobicContact CE1-CD1 4.38Å; F32-I45 HydrophobicContact CE1-CG2 3.8Å; F32-I45 HydrophobicContact CZ-CB 3.97Å; F32-I45 HydrophobicContact CZ-CG2 3.58Å; F32-L46 HydrophobicContact CE2-CD1 4.46Å; F32-L46 HydrophobicContact CZ-CB 4.16Å; F32-L46 HydrophobicContact CZ-CD1 4.47Å; F32-L70 HydrophobicContact CB-CB 4.23Å; F32-L70 HydrophobicContact CD2-CB 4.01Å; F32-I71 HydrophobicContact CD2-CG1 4.22Å; F32-I71 HydrophobicContact CE2-CG1 4.01Å; F32-L74 HydrophobicContact CB-CD2 3.88Å; F32-L74 HydrophobicContact CB-CG 4.2Å; F32-L74 HydrophobicContact CD1-CD1 3.95Å; F32-L74 HydrophobicContact CD1-CD2 3.73Å; F32-L74 HydrophobicContact CD1-CG 4.26Å; F32-L74 HydrophobicContact CD2-CD1 3.95Å; F32-L74 HydrophobicContact CD2-CG 4.44Å; F32-L74 HydrophobicContact CE1-CD1 4.04Å; F32-L74 HydrophobicContact CE1-CD2 4.45Å; F32-L74 HydrophobicContact CE2-CD1 4.05Å; F32-L74 HydrophobicContact CG-CD1 3.91Å; F32-L74 HydrophobicContact CG-CD2 3.87Å; F32-L74 HydrophobicContact CG-CG 4.06Å; F32-L74 HydrophobicContact CZ-CD1 4.09Å |
| 33 | N | 85.5 | Confident | 86 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -85.8 | -7.2 | 175.7 | -82.9 | -19.7 | 0 | 0 | 0 | 114.7 | R30 Q31 L70 K73 | R30-N33 WeakPolarHBondContact O-CB 3.41Å; R30-N33 PolarHBondContact O-N 3.45Å; R30-N33 VanDerWaalsContact O-N 3.08Å; Q31-N33 PolarHBondContact O-N 3.06Å; Q31-N33 VanDerWaalsContact O-N 3.15Å; N33-L70 HydrophobicContact CB-CD2 4.48Å; N33-L70 WeakPolarHBondContact ND2-CD2 3.21Å; N33-L70 WeakPolarHBondContact OD1-CD2 3.28Å; N33-K73 WeakPolarHBondContact OD1-CD 3.34Å; N33-K73 WeakPolarHBondContact OD1-CE 3.49Å; N33-K73 PolarHBondContact OD1-NZ 3.27Å |
| 34 | E | 83 | Confident | 86.3 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | trans | -61.9 | 141.7 | -179.2 | -69.9 | 179.7 | -168.9 | 0 | 0 | 111.4 | Q31 A36 | Q31-E34 WeakPolarHBondContact O-CG 3.13Å; Q31-E34 PolarHBondContact O-N 3.48Å; E34-A36 PolarHBondContact O-N 3.2Å | ||
| 35 | T | 76.7 | Confident | 86.4 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 91% | 0.908 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -63.1 | -27.4 | -178 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 36 | A | 82.1 | Confident | 86.7 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -115.1 | 103.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E34 N38 | E34-A36 PolarHBondContact O-N 3.2Å; A36-N38 PolarHBondContact O-N 2.94Å |
| 37 | I | 82.7 | Confident | 86.9 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | trans | -73.7 | 112.1 | -175 | -57.1 | -179 | 0 | 0 | 0 | 110.6 | A39 K73 L74 Q76 L82 | I37-A39 PolarHBondContact O-N 2.93Å; I37-K73 VanDerWaalsContact CD1-O 3.28Å; I37-K73 WeakPolarHBondContact CD1-O 3.45Å; I37-L74 HydrophobicContact CG2-CD2 4.05Å; I37-Q76 HydrophobicContact CD1-CB 3.82Å; I37-L82 HydrophobicContact CG2-CD2 4.32Å | ||
| 38 | N | 87.5 | Confident | 87 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | trans | -80.4 | 101.5 | 169 | -176.6 | -13.7 | 0 | 0 | 0 | 110.3 | A36 R40 Q41 C42 | A36-N38 PolarHBondContact O-N 2.94Å; N38-R40 VanDerWaalsContact C-N 3.31Å; N38-R40 PolarHBondContact O-N 3.14Å; N38-R40 PolarHBondContact OD1-N 3.43Å; N38-Q41 HydrophobicContact CB-CB 4.1Å; N38-Q41 PolarHBondContact ND2-OE1 2.86Å; N38-Q41 PolarHBondContact O-N 2.7Å; N38-C42 WeakPolarHBondContact O-CB 3.38Å; N38-C42 PolarHBondContact O-N 2.85Å; N38-C42 PolarHBondContact O-SG 3.23Å | ||
| 39 | A | 86.8 | Confident | 87.1 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -38.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I37 T43 D79 L82 | I37-A39 PolarHBondContact O-N 2.93Å; A39-T43 VanDerWaalsContact O-CB 3.24Å; A39-T43 WeakPolarHBondContact O-CB 3.25Å; A39-T43 PolarHBondContact O-N 2.8Å; A39-T43 PolarHBondContact O-OG1 3.09Å; A39-D79 HydrophobicContact CB-CB 3.71Å; A39-L82 HydrophobicContact CB-CD2 4.28Å |
| 40 | R | 88.4 | Confident | 87.2 | Confident | 220 Ų | 220 | 59.7 Ų | 59.7 | 83% | 0.83 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | -178.7 | -70.7 | -175.7 | -178.8 | 174.7 | 0.9 | 112 | N38 T43 S44 | N38-R40 VanDerWaalsContact C-N 3.31Å; N38-R40 PolarHBondContact O-N 3.14Å; N38-R40 PolarHBondContact OD1-N 3.43Å; R40-T43 PolarHBondContact O-N 3.25Å; R40-S44 PolarHBondContact O-N 3.25Å; R40-S44 VanDerWaalsContact O-N 3.12Å |
| 41 | Q | 88.6 | Confident | 87.4 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 179 | -176.6 | 171.9 | -0.5 | 0 | 0 | 110.9 | N38 T43 S44 I45 | N38-Q41 HydrophobicContact CB-CB 4.1Å; N38-Q41 PolarHBondContact ND2-OE1 2.86Å; N38-Q41 PolarHBondContact O-N 2.7Å; Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 PolarHBondContact O-N 3.13Å; Q41-S44 WeakPolarHBondContact O-CB 3.34Å; Q41-S44 PolarHBondContact O-N 3.43Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; Q41-I45 HydrophobicContact CG-CD1 4.01Å; Q41-I45 WeakPolarHBondContact O-CG1 3.38Å; Q41-I45 PolarHBondContact O-N 2.8Å |
| 42 | C | 90.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 177 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | F32 N38 I45 L46 L74 L82 | F32-C42 HydrophobicContact CD1-CB 4.17Å; F32-C42 HydrophobicContact CE1-CB 4.03Å; N38-C42 WeakPolarHBondContact O-CB 3.38Å; N38-C42 PolarHBondContact O-N 2.85Å; N38-C42 PolarHBondContact O-SG 3.23Å; C42-I45 PolarHBondContact O-N 2.73Å; C42-L46 VanDerWaalsContact O-CB 3.23Å; C42-L46 WeakPolarHBondContact O-CB 3.17Å; C42-L46 PolarHBondContact O-N 3.24Å; C42-L74 HydrophobicContact CB-CD2 3.84Å; C42-L82 HydrophobicContact CB-CD1 3.89Å; C42-L82 HydrophobicContact CB-CD2 4.19Å |
| 43 | T | 91 | Very high | 87.4 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | A39 R40 Q41 S47 I81 L85 | A39-T43 VanDerWaalsContact O-CB 3.24Å; A39-T43 WeakPolarHBondContact O-CB 3.25Å; A39-T43 PolarHBondContact O-N 2.8Å; A39-T43 PolarHBondContact O-OG1 3.09Å; R40-T43 PolarHBondContact O-N 3.25Å; Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 PolarHBondContact O-N 3.13Å; T43-S47 VanDerWaalsContact O-CB 3.32Å; T43-S47 WeakPolarHBondContact O-CB 3.25Å; T43-S47 PolarHBondContact O-N 3.32Å; T43-S47 PolarHBondContact O-OG 3.43Å; T43-I81 HydrophobicContact CG2-CG2 4.01Å; T43-L85 HydrophobicContact CG2-CD1 3.58Å |
| 44 | S | 90.1 | Very high | 87.5 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | R40 Q41 S47 K48 | R40-S44 PolarHBondContact O-N 3.25Å; R40-S44 VanDerWaalsContact O-N 3.12Å; Q41-S44 WeakPolarHBondContact O-CB 3.34Å; Q41-S44 PolarHBondContact O-N 3.43Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; S44-S47 WeakPolarHBondContact O-CB 3.46Å; S44-S47 PolarHBondContact O-N 2.85Å; S44-K48 WeakPolarHBondContact O-CG 2.9Å; S44-K48 PolarHBondContact O-N 3.25Å |
| 45 | I | 89.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | -179.4 | -61.1 | 162.8 | 0 | 0 | 0 | 110.9 | E28 Q31 F32 Q41 C42 S47 K48 F49 | E28-I45 HydrophobicContact CB-CD1 4.35Å; E28-I45 HydrophobicContact CB-CG1 4.23Å; E28-I45 HydrophobicContact CB-CG2 3.81Å; Q31-I45 HydrophobicContact CB-CD1 4.24Å; F32-I45 HydrophobicContact CE1-CB 3.86Å; F32-I45 HydrophobicContact CE1-CD1 4.38Å; F32-I45 HydrophobicContact CE1-CG2 3.8Å; F32-I45 HydrophobicContact CZ-CB 3.97Å; F32-I45 HydrophobicContact CZ-CG2 3.58Å; Q41-I45 HydrophobicContact CG-CD1 4.01Å; Q41-I45 WeakPolarHBondContact O-CG1 3.38Å; Q41-I45 PolarHBondContact O-N 2.8Å; C42-I45 PolarHBondContact O-N 2.73Å; I45-S47 VanDerWaalsContact C-N 3.25Å; I45-S47 PolarHBondContact O-N 2.87Å; I45-K48 WeakPolarHBondContact O-CB 2.92Å; I45-K48 PolarHBondContact O-N 2.81Å; I45-F49 WeakPolarHBondContact O-CB 3.21Å; I45-F49 PolarHBondContact O-N 3.02Å |
| 46 | L | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 177.9 | -168.9 | 57 | 0 | 0 | 0 | 111.8 | F32 C42 F49 L50 I71 L74 L82 L85 V86 A89 | F32-L46 HydrophobicContact CE2-CD1 4.46Å; F32-L46 HydrophobicContact CZ-CB 4.16Å; F32-L46 HydrophobicContact CZ-CD1 4.47Å; C42-L46 VanDerWaalsContact O-CB 3.23Å; C42-L46 WeakPolarHBondContact O-CB 3.17Å; C42-L46 PolarHBondContact O-N 3.24Å; L46-F49 HydrophobicContact CD1-CD1 4.49Å; L46-F49 PolarHBondContact O-N 3.47Å; L46-L50 HydrophobicContact CG-CD1 4.37Å; L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.03Å; L46-I71 HydrophobicContact CD1-CD1 3.91Å; L46-I71 HydrophobicContact CD1-CG1 3.93Å; L46-L74 HydrophobicContact CD2-CD1 4.06Å; L46-L82 HydrophobicContact CD2-CD1 4.35Å; L46-L85 HydrophobicContact CD2-CB 3.54Å; L46-L85 HydrophobicContact CG-CB 4.09Å; L46-V86 HydrophobicContact CD2-CG2 4.01Å; L46-A89 HydrophobicContact CD1-CB 3.77Å; L46-A89 HydrophobicContact CG-CB 4.45Å |
| 47 | S | 90.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 172.6 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | T43 S44 I45 F49 L50 Y51 | T43-S47 VanDerWaalsContact O-CB 3.32Å; T43-S47 WeakPolarHBondContact O-CB 3.25Å; T43-S47 PolarHBondContact O-N 3.32Å; T43-S47 PolarHBondContact O-OG 3.43Å; S44-S47 WeakPolarHBondContact O-CB 3.46Å; S44-S47 PolarHBondContact O-N 2.85Å; I45-S47 VanDerWaalsContact C-N 3.25Å; I45-S47 PolarHBondContact O-N 2.87Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 2.89Å; S47-L50 PolarHBondContact O-N 3.47Å; S47-Y51 WeakPolarHBondContact O-CB 3.35Å; S47-Y51 PolarHBondContact O-N 3.24Å |
| 48 | K | 89 | Confident | 87.9 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 172.1 | -68.9 | 177.5 | -176.4 | 179.5 | 0 | 111.4 | Y17 V25 E28 S44 I45 Y51 I52 | Y17-K48 HydrophobicContact CD1-CB 4.37Å; Y17-K48 HydrophobicContact CD1-CD 4.49Å; Y17-K48 HydrophobicContact CD1-CG 3.4Å; Y17-K48 HydrophobicContact CE1-CG 3.6Å; Y17-K48 HydrophobicContact CG-CG 4.31Å; V25-K48 HydrophobicContact CG1-CB 4.02Å; V25-K48 HydrophobicContact CG2-CB 3.9Å; V25-K48 HydrophobicContact CG2-CD 4.27Å; E28-K48 VanDerWaalsContact CD-NZ 3.27Å; E28-K48 IonicContact OE1-NZ 2.82Å; E28-K48 PolarHBondContact OE1-NZ 2.84Å; E28-K48 WeakPolarHBondContact OE2-CD 2.88Å; E28-K48 IonicContact OE2-NZ 3.96Å; E28-K48 PolarHBondContact OE2-NZ 3.38Å; S44-K48 WeakPolarHBondContact O-CG 2.9Å; S44-K48 PolarHBondContact O-N 3.25Å; I45-K48 WeakPolarHBondContact O-CB 2.92Å; I45-K48 PolarHBondContact O-N 2.81Å; K48-Y51 WeakPolarHBondContact O-CB 2.77Å; K48-Y51 PolarHBondContact O-N 3.4Å; K48-I52 WeakPolarHBondContact O-CG1 2.69Å; K48-I52 PolarHBondContact O-N 3.14Å |
| 49 | F | 89.2 | Confident | 87.9 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 179.9 | -176 | -90.8 | 0 | 0 | 0 | 112 | V25 L26 I45 L46 S47 Y51 I52 L53 L59 A67 I71 L93 | V25-F49 HydrophobicContact CG1-CB 3.73Å; V25-F49 HydrophobicContact CG1-CD2 4.1Å; V25-F49 HydrophobicContact CG1-CG 4.43Å; L26-F49 HydrophobicContact CD2-CD2 4.48Å; L26-F49 HydrophobicContact CD2-CE2 3.79Å; I45-F49 WeakPolarHBondContact O-CB 3.21Å; I45-F49 PolarHBondContact O-N 3.02Å; L46-F49 HydrophobicContact CD1-CD1 4.49Å; L46-F49 PolarHBondContact O-N 3.47Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 2.89Å; F49-Y51 VanDerWaalsContact C-N 3.3Å; F49-Y51 PolarHBondContact O-N 2.94Å; F49-I52 PolarHBondContact O-N 3.45Å; F49-L53 HydrophobicContact CD1-CD1 3.91Å; F49-L53 HydrophobicContact CD1-CG 4.47Å; F49-L53 HydrophobicContact CE1-CD1 3.45Å; F49-L53 VanDerWaalsContact CE1-CD1 3.45Å; F49-L53 HydrophobicContact CE1-CG 4.19Å; F49-L53 HydrophobicContact CZ-CD1 4.19Å; F49-L53 PolarHBondContact O-N 3.24Å; F49-L53 VanDerWaalsContact O-N 3.09Å; F49-L59 HydrophobicContact CE1-CD1 4.47Å; F49-L59 HydrophobicContact CE2-CD1 4.01Å; F49-L59 HydrophobicContact CZ-CD1 3.53Å; F49-A67 HydrophobicContact CE2-CB 3.93Å; F49-A67 HydrophobicContact CZ-CB 3.71Å; F49-I71 HydrophobicContact CE1-CD1 4.21Å; F49-L93 HydrophobicContact CE1-CD1 3.9Å; F49-L93 HydrophobicContact CE1-CD2 4.04Å; F49-L93 HydrophobicContact CE1-CG 4.21Å; F49-L93 HydrophobicContact CZ-CD1 4.14Å; F49-L93 HydrophobicContact CZ-CD2 4Å |
| 50 | L | 89.6 | Confident | 88 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 175.4 | -74.5 | 168.7 | 0 | 0 | 0 | 112.6 | L46 S47 L53 G54 L85 L88 A89 E92 | L46-L50 HydrophobicContact CG-CD1 4.37Å; L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.03Å; S47-L50 PolarHBondContact O-N 3.47Å; L50-L53 PolarHBondContact O-N 2.98Å; L50-G54 PolarHBondContact O-N 2.97Å; L50-L85 HydrophobicContact CD1-CB 4.45Å; L50-L85 HydrophobicContact CD1-CD2 3.91Å; L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD1-CD2 3.93Å; L50-L88 HydrophobicContact CD1-CG 4.24Å; L50-L88 HydrophobicContact CD2-CD2 4.37Å; L50-L88 HydrophobicContact CD2-CG 4.06Å; L50-A89 HydrophobicContact CD2-CB 3.96Å; L50-A89 HydrophobicContact CG-CB 4.39Å; L50-E92 HydrophobicContact CD2-CG 4.48Å |
| 51 | Y | 89.4 | Confident | 88 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 19% | 0.192 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.5 | 179.1 | -103.1 | 0 | 0 | 0 | 111.7 | N15 Y17 S47 K48 F49 L53 G54 Q55 | N15-Y51 WeakPolarHBondContact ND2-CE2 3.23Å; Y17-Y51 VanDerWaalsContact CB-CD1 3.47Å; Y17-Y51 WeakPolarHBondContact O-CD1 3.34Å; Y17-Y51 WeakPolarHBondContact O-CE1 3.15Å; S47-Y51 WeakPolarHBondContact O-CB 3.35Å; S47-Y51 PolarHBondContact O-N 3.24Å; K48-Y51 WeakPolarHBondContact O-CB 2.77Å; K48-Y51 PolarHBondContact O-N 3.4Å; F49-Y51 VanDerWaalsContact C-N 3.3Å; F49-Y51 PolarHBondContact O-N 2.94Å; Y51-L53 PolarHBondContact O-N 3.27Å; Y51-G54 CarbonylContact O-C 3.52Å; Y51-G54 WeakPolarHBondContact O-CA 3.43Å; Y51-G54 PolarHBondContact O-N 3.38Å; Y51-G54 VanDerWaalsContact O-N 3.09Å; Y51-Q55 HydrophobicContact CD1-CG 4.49Å; Y51-Q55 HydrophobicContact CE1-CG 4.09Å; Y51-Q55 VanDerWaalsContact CZ-NE2 3.35Å; Y51-Q55 PolarHBondContact O-N 2.79Å; Y51-Q55 PolarHBondContact OH-NE2 2.87Å |
| 52 | I | 87.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.9 | -75.1 | 177.9 | 0 | 0 | 0 | 111.2 | C20 V25 K48 F49 G54 Q55 E57 | C20-I52 HydrophobicContact CB-CD1 3.97Å; C20-I52 HydrophobicContact CB-CG1 4.2Å; V25-I52 HydrophobicContact CB-CD1 3.67Å; V25-I52 HydrophobicContact CG1-CD1 4.21Å; V25-I52 HydrophobicContact CG2-CD1 3.38Å; K48-I52 WeakPolarHBondContact O-CG1 2.69Å; K48-I52 PolarHBondContact O-N 3.14Å; F49-I52 PolarHBondContact O-N 3.45Å; I52-G54 VanDerWaalsContact C-N 3.27Å; I52-G54 PolarHBondContact O-N 3.2Å; I52-Q55 PolarHBondContact O-N 2.69Å; I52-Q55 VanDerWaalsContact O-N 3.15Å; I52-E57 HydrophobicContact CG2-CB 3.64Å; I52-E57 VanDerWaalsContact CG2-CD 3.43Å; I52-E57 HydrophobicContact CG2-CG 3.82Å; I52-E57 WeakPolarHBondContact CG2-OE2 3.41Å; I52-E57 PolarHBondContact O-N 3.45Å |
| 53 | L | 86.8 | Confident | 88.1 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 174.4 | -71.5 | 179.5 | 0 | 0 | 0 | 112 | F49 L50 Y51 Q55 G56 L59 E92 L93 | F49-L53 HydrophobicContact CD1-CD1 3.91Å; F49-L53 HydrophobicContact CD1-CG 4.47Å; F49-L53 HydrophobicContact CE1-CD1 3.45Å; F49-L53 VanDerWaalsContact CE1-CD1 3.45Å; F49-L53 HydrophobicContact CE1-CG 4.19Å; F49-L53 HydrophobicContact CZ-CD1 4.19Å; F49-L53 PolarHBondContact O-N 3.24Å; F49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 2.98Å; Y51-L53 PolarHBondContact O-N 3.27Å; L53-Q55 VanDerWaalsContact C-N 3.29Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-G56 PolarHBondContact O-N 3.01Å; L53-G56 VanDerWaalsContact O-N 3.1Å; L53-L59 HydrophobicContact CD2-CD1 3.83Å; L53-L59 HydrophobicContact CD2-CG 3.97Å; L53-E92 HydrophobicContact CD1-CB 4.44Å; L53-L93 HydrophobicContact CD1-CD2 4.16Å |
| 54 | G | 86.2 | Confident | 88.1 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67 | -23.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L50 Y51 I52 G56 | L50-G54 PolarHBondContact O-N 2.97Å; Y51-G54 CarbonylContact O-C 3.52Å; Y51-G54 WeakPolarHBondContact O-CA 3.43Å; Y51-G54 PolarHBondContact O-N 3.38Å; Y51-G54 VanDerWaalsContact O-N 3.09Å; I52-G54 VanDerWaalsContact C-N 3.27Å; I52-G54 PolarHBondContact O-N 3.2Å; G54-G56 PolarHBondContact O-N 3.15Å |
| 55 | Q | 85.7 | Confident | 88.1 | Confident | 126 Ų | 126 | 56.1 Ų | 56.1 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | 172.5 | -66.6 | -61.6 | -30.6 | 0 | 0 | 113 | Y51 I52 L53 | Y51-Q55 HydrophobicContact CD1-CG 4.49Å; Y51-Q55 HydrophobicContact CE1-CG 4.09Å; Y51-Q55 VanDerWaalsContact CZ-NE2 3.35Å; Y51-Q55 PolarHBondContact O-N 2.79Å; Y51-Q55 PolarHBondContact OH-NE2 2.87Å; I52-Q55 PolarHBondContact O-N 2.69Å; I52-Q55 VanDerWaalsContact O-N 3.15Å; L53-Q55 VanDerWaalsContact C-N 3.29Å; L53-Q55 PolarHBondContact O-N 3.33Å |
| 56 | G | 83.5 | Confident | 88.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | 13.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L53 G54 K58 | L53-G56 PolarHBondContact O-N 3.01Å; L53-G56 VanDerWaalsContact O-N 3.1Å; G54-G56 PolarHBondContact O-N 3.15Å; G56-K58 PolarHBondContact O-N 3.32Å |
| 57 | E | 83 | Confident | 88.1 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.8 | 172.3 | -75.4 | -157.1 | 178.5 | 0 | 0 | 111.8 | K22 I52 | K22-E57 WeakPolarHBondContact CB-OE2 3.23Å; K22-E57 WeakPolarHBondContact CG-OE2 3.28Å; I52-E57 HydrophobicContact CG2-CB 3.64Å; I52-E57 VanDerWaalsContact CG2-CD 3.43Å; I52-E57 HydrophobicContact CG2-CG 3.82Å; I52-E57 WeakPolarHBondContact CG2-OE2 3.41Å; I52-E57 PolarHBondContact O-N 3.45Å |
| 58 | K | 82.4 | Confident | 88.2 | Confident | 180 Ų | 180 | 58.8 Ų | 58.8 | 78% | 0.783 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 123.6 | -179.4 | -63 | -175.7 | -179 | 179.6 | 0 | 110.7 | K22 G56 | K22-K58 PolarHBondContact NZ-O 2.8Å; G56-K58 PolarHBondContact O-N 3.32Å |
| 59 | L | 85.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 143.3 | 168 | -61.8 | 179.4 | 0 | 0 | 0 | 109.2 | L26 F49 L53 E63 A64 L93 | L26-L59 HydrophobicContact CD1-CD2 4.22Å; L26-L59 HydrophobicContact CD2-CD2 4.34Å; F49-L59 HydrophobicContact CE1-CD1 4.47Å; F49-L59 HydrophobicContact CE2-CD1 4.01Å; F49-L59 HydrophobicContact CZ-CD1 3.53Å; L53-L59 HydrophobicContact CD2-CD1 3.83Å; L53-L59 HydrophobicContact CD2-CG 3.97Å; L59-E63 HydrophobicContact CB-CB 4.3Å; L59-E63 HydrophobicContact CD2-CB 4.47Å; L59-A64 HydrophobicContact CB-CB 4.15Å; L59-A64 HydrophobicContact CD1-CB 4.47Å; L59-L93 HydrophobicContact CD1-CD2 3.78Å |
| 60 | T | 89.7 | Confident | 88.3 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 47% | 0.466 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 154.4 | 165.6 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | K62 E63 A64 | T60-K62 PolarHBondContact O-N 3.49Å; T60-K62 VanDerWaalsContact O-N 3.13Å; T60-E63 WeakPolarHBondContact CB-OE2 3.31Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.37Å; T60-E63 PolarHBondContact N-OE2 2.97Å; T60-E63 PolarHBondContact O-N 3.35Å; T60-E63 WeakPolarHBondContact OG1-CB 3.42Å; T60-E63 WeakPolarHBondContact OG1-CG 3.46Å; T60-E63 PolarHBondContact OG1-N 3.27Å; T60-E63 PolarHBondContact OG1-OE2 3.24Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 3.1Å |
| 61 | R | 89 | Confident | 88.4 | Confident | 168 Ų | 168 | 59.5 Ų | 59.5 | 63% | 0.634 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -52.6 | -38.3 | 179.3 | -168.1 | 171.2 | -172.3 | 157.1 | 3.4 | 112.7 | T65 Q96 D98 | R61-T65 WeakPolarHBondContact O-CB 3.24Å; R61-T65 PolarHBondContact O-N 3.24Å; R61-T65 PolarHBondContact O-OG1 2.57Å; R61-Q96 WeakPolarHBondContact CG-O 3.34Å; R61-D98 WeakPolarHBondContact CD-OD2 3.27Å; R61-D98 WeakPolarHBondContact CG-OD2 3.47Å; R61-D98 IonicContact CZ-OD1 3.21Å; R61-D98 IonicContact CZ-OD2 2.65Å; R61-D98 VanDerWaalsContact NE-CG 3.25Å; R61-D98 IonicContact NE-OD1 3.39Å; R61-D98 PolarHBondContact NE-OD1 3.49Å; R61-D98 IonicContact NE-OD2 3.97Å; R61-D98 PolarHBondContact NE-OD2 2.88Å; R61-D98 IonicContact NH2-OD1 2.9Å; R61-D98 PolarHBondContact NH2-OD1 3.13Å |
| 62 | K | 90.8 | Very high | 88.4 | Confident | 156 Ų | 156 | 58.6 Ų | 58.6 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.2 | -49.1 | 175.5 | -172.2 | 178.2 | 178.8 | -179.8 | 0 | 112.4 | T60 A64 T65 D66 | T60-K62 PolarHBondContact O-N 3.49Å; T60-K62 VanDerWaalsContact O-N 3.13Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.42Å; K62-T65 PolarHBondContact O-N 3.43Å; K62-D66 WeakPolarHBondContact O-CB 3.49Å; K62-D66 PolarHBondContact O-N 3.01Å |
| 63 | E | 89.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.6 | -72 | 165.9 | 148.6 | 0 | 0 | 111.7 | K22 L26 L59 T60 A67 | K22-E63 WeakPolarHBondContact CE-OE1 3.31Å; K22-E63 WeakPolarHBondContact CE-OE2 3.4Å; K22-E63 IonicContact NZ-OE1 3.01Å; K22-E63 PolarHBondContact NZ-OE1 3.13Å; K22-E63 IonicContact NZ-OE2 2.96Å; K22-E63 PolarHBondContact NZ-OE2 3.01Å; L26-E63 HydrophobicContact CD1-CB 4.48Å; L26-E63 HydrophobicContact CD1-CG 4.21Å; L59-E63 HydrophobicContact CB-CB 4.3Å; L59-E63 HydrophobicContact CD2-CB 4.47Å; T60-E63 WeakPolarHBondContact CB-OE2 3.31Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.37Å; T60-E63 PolarHBondContact N-OE2 2.97Å; T60-E63 PolarHBondContact O-N 3.35Å; T60-E63 WeakPolarHBondContact OG1-CB 3.42Å; T60-E63 WeakPolarHBondContact OG1-CG 3.46Å; T60-E63 PolarHBondContact OG1-N 3.27Å; T60-E63 PolarHBondContact OG1-OE2 3.24Å; E63-A67 WeakPolarHBondContact O-CB 3.44Å; E63-A67 PolarHBondContact O-N 3.41Å |
| 64 | A | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L59 T60 K62 F68 L93 Q96 A97 | L59-A64 HydrophobicContact CB-CB 4.15Å; L59-A64 HydrophobicContact CD1-CB 4.47Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 3.1Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.42Å; A64-F68 WeakPolarHBondContact O-CB 3.44Å; A64-F68 PolarHBondContact O-N 3.3Å; A64-L93 HydrophobicContact CB-CD2 4.29Å; A64-Q96 HydrophobicContact CB-CB 3.95Å; A64-A97 HydrophobicContact CB-CB 4.44Å |
| 65 | T | 91.1 | Very high | 88.8 | Confident | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -47 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | R61 K62 A67 F68 F69 D98 | R61-T65 WeakPolarHBondContact O-CB 3.24Å; R61-T65 PolarHBondContact O-N 3.24Å; R61-T65 PolarHBondContact O-OG1 2.57Å; K62-T65 PolarHBondContact O-N 3.43Å; T65-A67 PolarHBondContact O-N 2.65Å; T65-F68 WeakPolarHBondContact O-CB 3.38Å; T65-F68 PolarHBondContact O-N 2.9Å; T65-F69 HydrophobicContact CG2-CD2 3.8Å; T65-F69 HydrophobicContact CG2-CE2 3.44Å; T65-F69 VanDerWaalsContact CG2-CE2 3.44Å; T65-F69 WeakPolarHBondContact O-CD2 3.31Å; T65-F69 PolarHBondContact O-N 3.42Å; T65-D98 HydrophobicContact CG2-CB 4.22Å; T65-D98 PolarHBondContact OG1-N 3.42Å |
| 66 | D | 90.5 | Very high | 88.8 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 177.2 | -72 | -20.3 | 0 | 0 | 0 | 111 | K62 F68 F69 L70 | K62-D66 WeakPolarHBondContact O-CB 3.49Å; K62-D66 PolarHBondContact O-N 3.01Å; D66-F68 VanDerWaalsContact C-N 3.32Å; D66-F68 PolarHBondContact O-N 3.5Å; D66-F69 PolarHBondContact O-N 3.24Å; D66-L70 VanDerWaalsContact O-CG 3.3Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.96Å |
| 67 | A | 90.6 | Very high | 89 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L26 F49 E63 T65 L70 I71 L93 | L26-A67 HydrophobicContact CD2-CB 4.48Å; F49-A67 HydrophobicContact CE2-CB 3.93Å; F49-A67 HydrophobicContact CZ-CB 3.71Å; E63-A67 WeakPolarHBondContact O-CB 3.44Å; E63-A67 PolarHBondContact O-N 3.41Å; T65-A67 PolarHBondContact O-N 2.65Å; A67-L70 PolarHBondContact O-N 3.41Å; A67-I71 WeakPolarHBondContact O-CB 3.33Å; A67-I71 WeakPolarHBondContact O-CD1 3.48Å; A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.4Å; A67-I71 PolarHBondContact O-N 3Å; A67-L93 HydrophobicContact CB-CD1 4.39Å |
| 68 | F | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 176.8 | -173.3 | -89.6 | 0 | 0 | 0 | 111 | A64 T65 D66 L70 I71 T72 V90 L93 A97 V100 I102 V103 | A64-F68 WeakPolarHBondContact O-CB 3.44Å; A64-F68 PolarHBondContact O-N 3.3Å; T65-F68 WeakPolarHBondContact O-CB 3.38Å; T65-F68 PolarHBondContact O-N 2.9Å; D66-F68 VanDerWaalsContact C-N 3.32Å; D66-F68 PolarHBondContact O-N 3.5Å; F68-L70 PolarHBondContact O-N 2.97Å; F68-I71 PolarHBondContact O-N 3.43Å; F68-T72 HydrophobicContact CD1-CG2 3.98Å; F68-T72 HydrophobicContact CE1-CG2 3.84Å; F68-T72 WeakPolarHBondContact O-CG2 3.44Å; F68-T72 PolarHBondContact O-N 3.24Å; F68-V90 HydrophobicContact CE2-CB 4.2Å; F68-V90 HydrophobicContact CE2-CG1 3.87Å; F68-V90 HydrophobicContact CE2-CG2 4.13Å; F68-V90 HydrophobicContact CZ-CG1 4.17Å; F68-L93 HydrophobicContact CB-CD1 4.29Å; F68-L93 HydrophobicContact CD2-CB 3.88Å; F68-L93 HydrophobicContact CD2-CD1 4.41Å; F68-A97 HydrophobicContact CB-CB 3.88Å; F68-A97 HydrophobicContact CD2-CB 4.21Å; F68-A97 HydrophobicContact CG-CB 4.08Å; F68-V100 HydrophobicContact CE1-CB 4.39Å; F68-V100 HydrophobicContact CE1-CG1 4.25Å; F68-V100 HydrophobicContact CE2-CG1 3.79Å; F68-V100 HydrophobicContact CZ-CB 4.09Å; F68-V100 HydrophobicContact CZ-CG1 3.48Å; F68-V100 VanDerWaalsContact CZ-CG1 3.48Å; F68-V100 HydrophobicContact CZ-CG2 4.45Å; F68-I102 HydrophobicContact CE1-CG2 3.94Å; F68-V103 HydrophobicContact CE1-CG1 3.83Å; F68-V103 HydrophobicContact CZ-CG1 3.79Å; F68-V103 HydrophobicContact CZ-CG2 3.9Å |
| 69 | F | 91 | Very high | 89.4 | Confident | 65 Ų | 65 | 55 Ų | 55 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.4 | -77.6 | -62.7 | 0 | 0 | 0 | 112.9 | T65 D66 I71 T72 D99 I102 | T65-F69 HydrophobicContact CG2-CD2 3.8Å; T65-F69 HydrophobicContact CG2-CE2 3.44Å; T65-F69 VanDerWaalsContact CG2-CE2 3.44Å; T65-F69 WeakPolarHBondContact O-CD2 3.31Å; T65-F69 PolarHBondContact O-N 3.42Å; D66-F69 PolarHBondContact O-N 3.24Å; F69-I71 PolarHBondContact O-N 3.36Å; F69-T72 PolarHBondContact O-N 3.45Å; F69-T72 PolarHBondContact O-OG1 2.99Å; F69-D99 HydrophobicContact CZ-CB 3.85Å; F69-I102 HydrophobicContact CD1-CD1 4.13Å; F69-I102 HydrophobicContact CD1-CG2 4.33Å; F69-I102 HydrophobicContact CE1-CB 4.45Å; F69-I102 HydrophobicContact CE1-CD1 3.69Å; F69-I102 HydrophobicContact CE1-CG2 3.94Å |
| 70 | L | 91.1 | Very high | 89.6 | Confident | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.8 | -68.7 | 172.6 | 0 | 0 | 0 | 111.5 | F32 N33 D66 A67 F68 T72 K73 | F32-L70 HydrophobicContact CB-CB 4.23Å; F32-L70 HydrophobicContact CD2-CB 4.01Å; N33-L70 HydrophobicContact CB-CD2 4.48Å; N33-L70 WeakPolarHBondContact ND2-CD2 3.21Å; N33-L70 WeakPolarHBondContact OD1-CD2 3.28Å; D66-L70 VanDerWaalsContact O-CG 3.3Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.96Å; A67-L70 PolarHBondContact O-N 3.41Å; F68-L70 PolarHBondContact O-N 2.97Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.22Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.17Å |
| 71 | I | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 178.9 | -69.5 | 160.8 | 0 | 0 | 0 | 111.2 | F32 L46 F49 A67 F68 F69 K73 L74 V86 A89 V90 L93 | F32-I71 HydrophobicContact CD2-CG1 4.22Å; F32-I71 HydrophobicContact CE2-CG1 4.01Å; L46-I71 HydrophobicContact CD1-CD1 3.91Å; L46-I71 HydrophobicContact CD1-CG1 3.93Å; F49-I71 HydrophobicContact CE1-CD1 4.21Å; A67-I71 WeakPolarHBondContact O-CB 3.33Å; A67-I71 WeakPolarHBondContact O-CD1 3.48Å; A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.4Å; A67-I71 PolarHBondContact O-N 3Å; F68-I71 PolarHBondContact O-N 3.43Å; F69-I71 PolarHBondContact O-N 3.36Å; I71-K73 PolarHBondContact O-N 3.45Å; I71-K73 VanDerWaalsContact O-N 3.14Å; I71-L74 VanDerWaalsContact O-CB 3.3Å; I71-L74 WeakPolarHBondContact O-CB 3.32Å; I71-L74 PolarHBondContact O-N 3.46Å; I71-V86 HydrophobicContact CG2-CB 4.49Å; I71-V86 HydrophobicContact CG2-CG1 4.05Å; I71-V86 HydrophobicContact CG2-CG2 4.33Å; I71-A89 HydrophobicContact CD1-CB 3.96Å; I71-A89 HydrophobicContact CG2-CB 4.31Å; I71-V90 HydrophobicContact CG2-CG2 4.37Å; I71-L93 HydrophobicContact CD1-CD1 3.49Å; I71-L93 VanDerWaalsContact CD1-CD1 3.49Å |
| 72 | T | 89.7 | Confident | 89.8 | Confident | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -25.6 | 177.8 | 72 | 0 | 0 | 0 | 0 | 113.5 | F68 F69 L70 L74 W75 I102 V103 | F68-T72 HydrophobicContact CD1-CG2 3.98Å; F68-T72 HydrophobicContact CE1-CG2 3.84Å; F68-T72 WeakPolarHBondContact O-CG2 3.44Å; F68-T72 PolarHBondContact O-N 3.24Å; F69-T72 PolarHBondContact O-N 3.45Å; F69-T72 PolarHBondContact O-OG1 2.99Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.22Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 3.22Å; T72-W75 WeakPolarHBondContact O-CB 3.37Å; T72-W75 PolarHBondContact O-N 3.47Å; T72-I102 HydrophobicContact CG2-CG2 4.18Å; T72-V103 HydrophobicContact CG2-CG1 3.28Å |
| 73 | K | 88.7 | Confident | 89.8 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 39% | 0.391 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.1 | -26.5 | 177.6 | -65 | -172.2 | 179.6 | -175.8 | 0 | 113 | N33 I37 L70 I71 W75 Q76 | N33-K73 WeakPolarHBondContact OD1-CD 3.34Å; N33-K73 WeakPolarHBondContact OD1-CE 3.49Å; N33-K73 PolarHBondContact OD1-NZ 3.27Å; I37-K73 VanDerWaalsContact CD1-O 3.28Å; I37-K73 WeakPolarHBondContact CD1-O 3.45Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.17Å; I71-K73 PolarHBondContact O-N 3.45Å; I71-K73 VanDerWaalsContact O-N 3.14Å; K73-W75 PolarHBondContact O-N 3.33Å; K73-W75 VanDerWaalsContact O-N 3.07Å; K73-Q76 WeakPolarHBondContact O-CG 3.43Å; K73-Q76 PolarHBondContact O-N 3.06Å; K73-Q76 VanDerWaalsContact O-N 3.13Å |
| 74 | L | 91 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.4 | -15.5 | 178 | -58.6 | 178.2 | 0 | 0 | 0 | 112.9 | F32 I37 C42 L46 I71 T72 Q76 S77 L82 V86 | F32-L74 HydrophobicContact CB-CD2 3.88Å; F32-L74 HydrophobicContact CB-CG 4.2Å; F32-L74 HydrophobicContact CD1-CD1 3.95Å; F32-L74 HydrophobicContact CD1-CD2 3.73Å; F32-L74 HydrophobicContact CD1-CG 4.26Å; F32-L74 HydrophobicContact CD2-CD1 3.95Å; F32-L74 HydrophobicContact CD2-CG 4.44Å; F32-L74 HydrophobicContact CE1-CD1 4.04Å; F32-L74 HydrophobicContact CE1-CD2 4.45Å; F32-L74 HydrophobicContact CE2-CD1 4.05Å; F32-L74 HydrophobicContact CG-CD1 3.91Å; F32-L74 HydrophobicContact CG-CD2 3.87Å; F32-L74 HydrophobicContact CG-CG 4.06Å; F32-L74 HydrophobicContact CZ-CD1 4.09Å; I37-L74 HydrophobicContact CG2-CD2 4.05Å; C42-L74 HydrophobicContact CB-CD2 3.84Å; L46-L74 HydrophobicContact CD2-CD1 4.06Å; I71-L74 VanDerWaalsContact O-CB 3.3Å; I71-L74 WeakPolarHBondContact O-CB 3.32Å; I71-L74 PolarHBondContact O-N 3.46Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 3.22Å; L74-Q76 PolarHBondContact O-N 3.32Å; L74-S77 PolarHBondContact O-N 3.07Å; L74-S77 VanDerWaalsContact O-N 3.16Å; L74-L82 HydrophobicContact CB-CD2 4.43Å; L74-L82 HydrophobicContact CD1-CD1 4.27Å; L74-V86 HydrophobicContact CB-CG2 3.65Å; L74-V86 HydrophobicContact CD1-CG2 4.16Å |
| 75 | W | 88.8 | Confident | 89.8 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -61.3 | -16.7 | 172.3 | -121.7 | -79.7 | 0 | 0 | 0 | 114.4 | T72 K73 S77 R83 V86 Y87 V90 V103 L107 D110 | T72-W75 WeakPolarHBondContact O-CB 3.37Å; T72-W75 PolarHBondContact O-N 3.47Å; K73-W75 PolarHBondContact O-N 3.33Å; K73-W75 VanDerWaalsContact O-N 3.07Å; W75-S77 PolarHBondContact O-N 3.23Å; W75-R83 VanDerWaalsContact CD1-CZ 3.4Å; W75-R83 VanDerWaalsContact NE1-NH1 3.13Å; W75-R83 PolarHBondContact O-NH2 3.17Å; W75-V86 HydrophobicContact CD2-CG1 4.04Å; W75-V86 HydrophobicContact CE3-CG1 3.32Å; W75-V86 HydrophobicContact CH2-CG1 3.89Å; W75-V86 HydrophobicContact CZ3-CG1 3.25Å; W75-Y87 HydrophobicContact CH2-CD1 4.12Å; W75-Y87 HydrophobicContact CH2-CE1 4.18Å; W75-Y87 AromaticContact CZ2-CD1 3.96Å; W75-Y87 HydrophobicContact CZ2-CD1 3.96Å; W75-Y87 AromaticContact CZ2-CE1 3.55Å; W75-Y87 HydrophobicContact CZ2-CE1 3.55Å; W75-V90 HydrophobicContact CH2-CG2 4.19Å; W75-V90 HydrophobicContact CZ3-CG2 3.79Å; W75-V103 HydrophobicContact CH2-CB 4.47Å; W75-V103 HydrophobicContact CZ3-CB 4.3Å; W75-V103 HydrophobicContact CZ3-CG1 4.03Å; W75-L107 HydrophobicContact CH2-CD2 3.75Å; W75-L107 HydrophobicContact CH2-CG 3.95Å; W75-L107 HydrophobicContact CZ2-CD2 3.6Å; W75-L107 HydrophobicContact CZ2-CG 3.89Å; W75-D110 PolarHBondContact NE1-OD2 3.08Å |
| 76 | Q | 86.3 | Confident | 89.9 | Confident | 143 Ų | 143 | 48.1 Ų | 48.1 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -72.5 | -19.6 | 176.4 | -61.8 | 177 | 4 | 0 | 0 | 112.6 | I37 K73 L74 | I37-Q76 HydrophobicContact CD1-CB 3.82Å; K73-Q76 WeakPolarHBondContact O-CG 3.43Å; K73-Q76 PolarHBondContact O-N 3.06Å; K73-Q76 VanDerWaalsContact O-N 3.13Å; L74-Q76 PolarHBondContact O-N 3.32Å |
| 77 | S | 86.7 | Confident | 90 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | trans | -80.6 | 135.9 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | L74 W75 D79 R83 | L74-S77 PolarHBondContact O-N 3.07Å; L74-S77 VanDerWaalsContact O-N 3.16Å; W75-S77 PolarHBondContact O-N 3.23Å; S77-D79 PolarHBondContact O-N 3.34Å; S77-D79 WeakPolarHBondContact OG-CB 3.26Å; S77-D79 PolarHBondContact OG-N 3.45Å; S77-R83 PolarHBondContact O-NH2 2.92Å | ||
| 78 | N | 85.2 | Confident | 90.1 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 70% | 0.695 | 23% | 0.232 | S | C | * | . | trans | -85.1 | 5.9 | 172.8 | -64.7 | -29.6 | 0 | 0 | 0 | 112.7 | T80 Y118 | N78-T80 PolarHBondContact O-N 3.09Å; N78-Y118 PolarHBondContact O-OH 3.4Å | ||
| 79 | D | 89.7 | Confident | 90.1 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | -68.7 | 122.5 | 177.9 | -176.3 | 76.9 | 0 | 0 | 0 | 111.3 | A39 S77 I81 L82 R83 | A39-D79 HydrophobicContact CB-CB 3.71Å; S77-D79 PolarHBondContact O-N 3.34Å; S77-D79 WeakPolarHBondContact OG-CB 3.26Å; S77-D79 PolarHBondContact OG-N 3.45Å; D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 2.9Å; D79-I81 WeakPolarHBondContact OD2-CB 3.5Å; D79-I81 PolarHBondContact OD2-N 2.88Å; D79-I81 VanDerWaalsContact OD2-N 3.13Å; D79-L82 HydrophobicContact CB-CB 4.04Å; D79-L82 WeakPolarHBondContact OD2-CB 3.35Å; D79-L82 PolarHBondContact OD2-N 3.49Å; D79-R83 WeakPolarHBondContact O-CB 3.37Å; D79-R83 PolarHBondContact O-N 3.03Å | ||
| 80 | T | 88.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.3 | -32.6 | -174.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | N78 R84 Y118 | N78-T80 PolarHBondContact O-N 3.09Å; T80-R84 VanDerWaalsContact O-CG 3.32Å; T80-R84 WeakPolarHBondContact O-CG 3.13Å; T80-R84 PolarHBondContact O-N 3.3Å; T80-Y118 HydrophobicContact CG2-CE1 4.16Å; T80-Y118 WeakPolarHBondContact CG2-OH 3.46Å |
| 81 | I | 90.5 | Very high | 90.1 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.9 | -49.1 | -179 | -61.7 | 174.3 | 0 | 0 | 0 | 108.8 | T43 D79 R83 R84 L85 | T43-I81 HydrophobicContact CG2-CG2 4.01Å; D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 2.9Å; D79-I81 WeakPolarHBondContact OD2-CB 3.5Å; D79-I81 PolarHBondContact OD2-N 2.88Å; D79-I81 VanDerWaalsContact OD2-N 3.13Å; I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.41Å; I81-R84 WeakPolarHBondContact O-CB 3.48Å; I81-R84 PolarHBondContact O-N 3.22Å; I81-R84 VanDerWaalsContact O-N 3.14Å; I81-L85 PolarHBondContact O-N 3Å |
| 82 | L | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 175.6 | -175.1 | 63.1 | 0 | 0 | 0 | 110.9 | I37 A39 C42 L46 L74 D79 R84 L85 V86 | I37-L82 HydrophobicContact CG2-CD2 4.32Å; A39-L82 HydrophobicContact CB-CD2 4.28Å; C42-L82 HydrophobicContact CB-CD1 3.89Å; C42-L82 HydrophobicContact CB-CD2 4.19Å; L46-L82 HydrophobicContact CD2-CD1 4.35Å; L74-L82 HydrophobicContact CB-CD2 4.43Å; L74-L82 HydrophobicContact CD1-CD1 4.27Å; D79-L82 HydrophobicContact CB-CB 4.04Å; D79-L82 WeakPolarHBondContact OD2-CB 3.35Å; D79-L82 PolarHBondContact OD2-N 3.49Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.33Å; L82-L85 PolarHBondContact O-N 3.29Å; L82-L85 VanDerWaalsContact O-N 3.13Å; L82-V86 VanDerWaalsContact O-CG2 3.3Å; L82-V86 WeakPolarHBondContact O-CG2 3.37Å; L82-V86 PolarHBondContact O-N 3.5Å |
| 83 | R | 90.9 | Very high | 90 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 178.1 | -169.6 | 65.2 | 64.2 | 102.5 | 6.4 | 112.4 | W75 S77 D79 I81 V86 Y87 D110 Y118 | W75-R83 VanDerWaalsContact CD1-CZ 3.4Å; W75-R83 VanDerWaalsContact NE1-NH1 3.13Å; W75-R83 PolarHBondContact O-NH2 3.17Å; S77-R83 PolarHBondContact O-NH2 2.92Å; D79-R83 WeakPolarHBondContact O-CB 3.37Å; D79-R83 PolarHBondContact O-N 3.03Å; I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.41Å; R83-V86 WeakPolarHBondContact O-CB 3.2Å; R83-V86 PolarHBondContact O-N 3.03Å; R83-Y87 HydrophobicContact CG-CD2 4.46Å; R83-Y87 HydrophobicContact CG-CE2 3.69Å; R83-Y87 WeakPolarHBondContact O-CD2 3.16Å; R83-Y87 PolarHBondContact O-N 3.39Å; R83-Y87 VanDerWaalsContact O-N 3.1Å; R83-D110 IonicContact CZ-OD2 2.72Å; R83-D110 VanDerWaalsContact NH1-CG 3.28Å; R83-D110 IonicContact NH1-OD1 2.83Å; R83-D110 PolarHBondContact NH1-OD1 2.94Å; R83-D110 IonicContact NH1-OD2 3.12Å; R83-D110 PolarHBondContact NH1-OD2 3.33Å; R83-Y118 HydrophobicContact CB-CE1 3.98Å; R83-Y118 HydrophobicContact CG-CD1 4.01Å; R83-Y118 HydrophobicContact CG-CE1 3.86Å |
| 84 | R | 89.6 | Confident | 89.9 | Confident | 145 Ų | 145 | 46.1 Ų | 46.1 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 175 | -75.1 | 174 | -179.3 | -173.2 | 3.6 | 112.5 | T80 I81 L82 V86 Y87 L88 I117 | T80-R84 VanDerWaalsContact O-CG 3.32Å; T80-R84 WeakPolarHBondContact O-CG 3.13Å; T80-R84 PolarHBondContact O-N 3.3Å; I81-R84 WeakPolarHBondContact O-CB 3.48Å; I81-R84 PolarHBondContact O-N 3.22Å; I81-R84 VanDerWaalsContact O-N 3.14Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.33Å; R84-V86 VanDerWaalsContact C-N 3.3Å; R84-Y87 PolarHBondContact O-N 2.83Å; R84-L88 PolarHBondContact O-N 2.86Å; R84-L88 VanDerWaalsContact O-N 3.16Å; R84-I117 VanDerWaalsContact NH2-CG2 3.33Å |
| 85 | L | 91.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.6 | -68.1 | 178.6 | 0 | 0 | 0 | 111.6 | T43 L46 L50 I81 L82 L88 A89 | T43-L85 HydrophobicContact CG2-CD1 3.58Å; L46-L85 HydrophobicContact CD2-CB 3.54Å; L46-L85 HydrophobicContact CG-CB 4.09Å; L50-L85 HydrophobicContact CD1-CB 4.45Å; L50-L85 HydrophobicContact CD1-CD2 3.91Å; I81-L85 PolarHBondContact O-N 3Å; L82-L85 PolarHBondContact O-N 3.29Å; L82-L85 VanDerWaalsContact O-N 3.13Å; L85-L88 PolarHBondContact O-N 2.81Å; L85-A89 WeakPolarHBondContact O-CB 3.27Å; L85-A89 PolarHBondContact O-N 3.45Å |
| 86 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L46 I71 L74 W75 L82 R83 R84 L88 A89 V90 | L46-V86 HydrophobicContact CD2-CG2 4.01Å; I71-V86 HydrophobicContact CG2-CB 4.49Å; I71-V86 HydrophobicContact CG2-CG1 4.05Å; I71-V86 HydrophobicContact CG2-CG2 4.33Å; L74-V86 HydrophobicContact CB-CG2 3.65Å; L74-V86 HydrophobicContact CD1-CG2 4.16Å; W75-V86 HydrophobicContact CD2-CG1 4.04Å; W75-V86 HydrophobicContact CE3-CG1 3.32Å; W75-V86 HydrophobicContact CH2-CG1 3.89Å; W75-V86 HydrophobicContact CZ3-CG1 3.25Å; L82-V86 VanDerWaalsContact O-CG2 3.3Å; L82-V86 WeakPolarHBondContact O-CG2 3.37Å; L82-V86 PolarHBondContact O-N 3.5Å; R83-V86 WeakPolarHBondContact O-CB 3.2Å; R83-V86 PolarHBondContact O-N 3.03Å; R84-V86 VanDerWaalsContact C-N 3.3Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 2.84Å; V86-A89 PolarHBondContact O-N 2.94Å; V86-V90 HydrophobicContact CG1-CG2 4.28Å; V86-V90 WeakPolarHBondContact O-CB 3.49Å; V86-V90 WeakPolarHBondContact O-CG2 3.44Å; V86-V90 PolarHBondContact O-N 3.15Å |
| 87 | Y | 92.2 | Very high | 89.7 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.1 | -64.4 | -53.2 | 0 | 0 | 0 | 113.1 | W75 R83 R84 K91 L107 D110 Y118 A121 A122 A125 | W75-Y87 HydrophobicContact CH2-CD1 4.12Å; W75-Y87 HydrophobicContact CH2-CE1 4.18Å; W75-Y87 AromaticContact CZ2-CD1 3.96Å; W75-Y87 HydrophobicContact CZ2-CD1 3.96Å; W75-Y87 AromaticContact CZ2-CE1 3.55Å; W75-Y87 HydrophobicContact CZ2-CE1 3.55Å; R83-Y87 HydrophobicContact CG-CD2 4.46Å; R83-Y87 HydrophobicContact CG-CE2 3.69Å; R83-Y87 WeakPolarHBondContact O-CD2 3.16Å; R83-Y87 PolarHBondContact O-N 3.39Å; R83-Y87 VanDerWaalsContact O-N 3.1Å; R84-Y87 PolarHBondContact O-N 2.83Å; Y87-K91 WeakPolarHBondContact O-CB 3.4Å; Y87-K91 VanDerWaalsContact O-CG 3.24Å; Y87-K91 WeakPolarHBondContact O-CG 3.46Å; Y87-K91 PolarHBondContact O-N 3.31Å; Y87-K91 VanDerWaalsContact O-N 3.17Å; Y87-L107 HydrophobicContact CD1-CD2 3.9Å; Y87-L107 HydrophobicContact CE1-CD2 3.72Å; Y87-D110 VanDerWaalsContact OH-CB 3.3Å; Y87-D110 WeakPolarHBondContact OH-CB 3.37Å; Y87-D110 PolarHBondContact OH-OD2 3.07Å; Y87-Y118 HydrophobicContact CE2-CD1 4.39Å; Y87-Y118 WeakPolarHBondContact OH-CB 3.3Å; Y87-A121 HydrophobicContact CD2-CB 3.45Å; Y87-A121 VanDerWaalsContact CD2-CB 3.45Å; Y87-A121 HydrophobicContact CE2-CB 3.71Å; Y87-A121 HydrophobicContact CG-CB 4.03Å; Y87-A122 HydrophobicContact CE1-CB 3.97Å; Y87-A125 HydrophobicContact CD1-CB 4.11Å |
| 88 | L | 91.6 | Very high | 89.7 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66 | -49.6 | 177.9 | -177.2 | 59.1 | 0 | 0 | 0 | 110.6 | L50 R84 L85 V86 V90 K91 E92 | L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD1-CD2 3.93Å; L50-L88 HydrophobicContact CD1-CG 4.24Å; L50-L88 HydrophobicContact CD2-CD2 4.37Å; L50-L88 HydrophobicContact CD2-CG 4.06Å; R84-L88 PolarHBondContact O-N 2.86Å; R84-L88 VanDerWaalsContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 2.81Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 2.84Å; L88-V90 PolarHBondContact O-N 2.93Å; L88-K91 WeakPolarHBondContact O-CB 3.48Å; L88-K91 PolarHBondContact O-N 3.35Å; L88-K91 VanDerWaalsContact O-N 3.13Å; L88-E92 HydrophobicContact CD1-CG 4.42Å; L88-E92 WeakPolarHBondContact O-CG 3.18Å; L88-E92 PolarHBondContact O-N 3.39Å |
| 89 | A | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 L50 I71 L85 V86 K91 E92 L93 | L46-A89 HydrophobicContact CD1-CB 3.77Å; L46-A89 HydrophobicContact CG-CB 4.45Å; L50-A89 HydrophobicContact CD2-CB 3.96Å; L50-A89 HydrophobicContact CG-CB 4.39Å; I71-A89 HydrophobicContact CD1-CB 3.96Å; I71-A89 HydrophobicContact CG2-CB 4.31Å; L85-A89 WeakPolarHBondContact O-CB 3.27Å; L85-A89 PolarHBondContact O-N 3.45Å; V86-A89 PolarHBondContact O-N 2.94Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 3.39Å; A89-E92 PolarHBondContact O-N 2.87Å; A89-L93 WeakPolarHBondContact O-CB 3.3Å; A89-L93 WeakPolarHBondContact O-CG 3.28Å; A89-L93 PolarHBondContact O-N 2.93Å |
| 90 | V | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 173.7 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | F68 I71 W75 V86 L88 A94 V103 I129 | F68-V90 HydrophobicContact CE2-CB 4.2Å; F68-V90 HydrophobicContact CE2-CG1 3.87Å; F68-V90 HydrophobicContact CE2-CG2 4.13Å; F68-V90 HydrophobicContact CZ-CG1 4.17Å; I71-V90 HydrophobicContact CG2-CG2 4.37Å; W75-V90 HydrophobicContact CH2-CG2 4.19Å; W75-V90 HydrophobicContact CZ3-CG2 3.79Å; V86-V90 HydrophobicContact CG1-CG2 4.28Å; V86-V90 WeakPolarHBondContact O-CB 3.49Å; V86-V90 WeakPolarHBondContact O-CG2 3.44Å; V86-V90 PolarHBondContact O-N 3.15Å; L88-V90 PolarHBondContact O-N 2.93Å; V90-A94 WeakPolarHBondContact O-CB 3.26Å; V90-A94 PolarHBondContact O-N 2.7Å; V90-V103 HydrophobicContact CG1-CG2 4.21Å; V90-I129 HydrophobicContact CG1-CG2 4.3Å |
| 91 | K | 90.2 | Very high | 89.5 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 179.3 | -76.7 | 172.3 | 65.4 | -119.5 | 0 | 113 | Y87 L88 A89 A125 R128 | Y87-K91 WeakPolarHBondContact O-CB 3.4Å; Y87-K91 VanDerWaalsContact O-CG 3.24Å; Y87-K91 WeakPolarHBondContact O-CG 3.46Å; Y87-K91 PolarHBondContact O-N 3.31Å; Y87-K91 VanDerWaalsContact O-N 3.17Å; L88-K91 WeakPolarHBondContact O-CB 3.48Å; L88-K91 PolarHBondContact O-N 3.35Å; L88-K91 VanDerWaalsContact O-N 3.13Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 3.39Å; K91-A125 HydrophobicContact CD-CB 4.29Å; K91-A125 HydrophobicContact CG-CB 3.97Å; K91-R128 HydrophobicContact CG-CB 4.43Å |
| 92 | E | 89.2 | Confident | 89.3 | Confident | 97 Ų | 97 | 46.3 Ų | 46.3 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.4 | -38.1 | 179.1 | -64.7 | -48.9 | 132 | 0 | 0 | 112.1 | L50 L53 L88 A89 P95 | L50-E92 HydrophobicContact CD2-CG 4.48Å; L53-E92 HydrophobicContact CD1-CB 4.44Å; L88-E92 HydrophobicContact CD1-CG 4.42Å; L88-E92 WeakPolarHBondContact O-CG 3.18Å; L88-E92 PolarHBondContact O-N 3.39Å; A89-E92 PolarHBondContact O-N 2.87Å; E92-P95 WeakPolarHBondContact O-CD 3.46Å |
| 93 | L | 89.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -81.3 | -25.9 | -179.7 | -70.2 | 175.8 | 0 | 0 | 0 | 113.7 | F49 L53 L59 A64 A67 F68 I71 A89 P95 Q96 A97 | F49-L93 HydrophobicContact CE1-CD1 3.9Å; F49-L93 HydrophobicContact CE1-CD2 4.04Å; F49-L93 HydrophobicContact CE1-CG 4.21Å; F49-L93 HydrophobicContact CZ-CD1 4.14Å; F49-L93 HydrophobicContact CZ-CD2 4Å; L53-L93 HydrophobicContact CD1-CD2 4.16Å; L59-L93 HydrophobicContact CD1-CD2 3.78Å; A64-L93 HydrophobicContact CB-CD2 4.29Å; A67-L93 HydrophobicContact CB-CD1 4.39Å; F68-L93 HydrophobicContact CB-CD1 4.29Å; F68-L93 HydrophobicContact CD2-CB 3.88Å; F68-L93 HydrophobicContact CD2-CD1 4.41Å; I71-L93 HydrophobicContact CD1-CD1 3.49Å; I71-L93 VanDerWaalsContact CD1-CD1 3.49Å; A89-L93 WeakPolarHBondContact O-CB 3.3Å; A89-L93 WeakPolarHBondContact O-CG 3.28Å; A89-L93 PolarHBondContact O-N 2.93Å; L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 VanDerWaalsContact C-N 3.32Å; L93-P95 VanDerWaalsContact O-N 3.16Å; L93-Q96 PolarHBondContact O-N 3.34Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.95Å |
| 94 | A | 87.5 | Confident | 89.1 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -38.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V90 Q96 V100 I129 | V90-A94 WeakPolarHBondContact O-CB 3.26Å; V90-A94 PolarHBondContact O-N 2.7Å; A94-Q96 VanDerWaalsContact C-N 3.29Å; A94-Q96 PolarHBondContact O-N 3.46Å; A94-V100 HydrophobicContact CB-CG1 3.91Å; A94-I129 HydrophobicContact CB-CG2 3.7Å |
| 95 | P | 86.6 | Confident | 89 | Confident | 86 Ų | 86 | 44.5 Ų | 44.5 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.1 | 176.6 | -18.6 | 33.8 | 0 | 0 | 0 | 114.7 | E92 L93 | E92-P95 WeakPolarHBondContact O-CD 3.46Å; L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 VanDerWaalsContact C-N 3.32Å; L93-P95 VanDerWaalsContact O-N 3.16Å |
| 96 | Q | 87.3 | Confident | 89 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -18.5 | -172.7 | -62.2 | -179.2 | 34.1 | 0 | 0 | 113.7 | R61 A64 L93 A94 | R61-Q96 WeakPolarHBondContact CG-O 3.34Å; A64-Q96 HydrophobicContact CB-CB 3.95Å; L93-Q96 PolarHBondContact O-N 3.34Å; A94-Q96 VanDerWaalsContact C-N 3.29Å; A94-Q96 PolarHBondContact O-N 3.46Å |
| 97 | A | 87.6 | Confident | 88.9 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | trans | -93.4 | 152 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A64 F68 L93 V100 | A64-A97 HydrophobicContact CB-CB 4.44Å; F68-A97 HydrophobicContact CB-CB 3.88Å; F68-A97 HydrophobicContact CD2-CB 4.21Å; F68-A97 HydrophobicContact CG-CB 4.08Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.95Å; A97-V100 HydrophobicContact CB-CG2 3.91Å; A97-V100 WeakPolarHBondContact O-CG2 3.49Å | ||
| 98 | D | 86.9 | Confident | 88.8 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -91.4 | 162.3 | 169.9 | -65.6 | -43.2 | 0 | 0 | 0 | 111 | R61 T65 V100 | R61-D98 WeakPolarHBondContact CD-OD2 3.27Å; R61-D98 WeakPolarHBondContact CG-OD2 3.47Å; R61-D98 IonicContact CZ-OD1 3.21Å; R61-D98 IonicContact CZ-OD2 2.65Å; R61-D98 VanDerWaalsContact NE-CG 3.25Å; R61-D98 IonicContact NE-OD1 3.39Å; R61-D98 PolarHBondContact NE-OD1 3.49Å; R61-D98 IonicContact NE-OD2 3.97Å; R61-D98 PolarHBondContact NE-OD2 2.88Å; R61-D98 IonicContact NH2-OD1 2.9Å; R61-D98 PolarHBondContact NH2-OD1 3.13Å; T65-D98 HydrophobicContact CG2-CB 4.22Å; T65-D98 PolarHBondContact OG1-N 3.42Å; D98-V100 PolarHBondContact O-N 3.31Å |
| 99 | D | 85.4 | Confident | 88.7 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | trans | 53.1 | 27.7 | 175.9 | -61.8 | -36.6 | 0 | 0 | 0 | 115.5 | F69 I101 I102 | F69-D99 HydrophobicContact CZ-CB 3.85Å; D99-I101 PolarHBondContact O-N 3.39Å; D99-I102 WeakPolarHBondContact O-CG2 3.26Å; D99-I102 PolarHBondContact O-N 2.82Å; D99-I102 VanDerWaalsContact O-N 3.15Å | ||
| 100 | V | 87.2 | Confident | 88.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -54.3 | -22 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | F68 A94 A97 D98 I102 V103 I129 | F68-V100 HydrophobicContact CE1-CB 4.39Å; F68-V100 HydrophobicContact CE1-CG1 4.25Å; F68-V100 HydrophobicContact CE2-CG1 3.79Å; F68-V100 HydrophobicContact CZ-CB 4.09Å; F68-V100 HydrophobicContact CZ-CG1 3.48Å; F68-V100 VanDerWaalsContact CZ-CG1 3.48Å; F68-V100 HydrophobicContact CZ-CG2 4.45Å; A94-V100 HydrophobicContact CB-CG1 3.91Å; A97-V100 HydrophobicContact CB-CG2 3.91Å; A97-V100 WeakPolarHBondContact O-CG2 3.49Å; D98-V100 PolarHBondContact O-N 3.31Å; V100-I102 PolarHBondContact O-N 3.33Å; V100-V103 VanDerWaalsContact O-CG2 3.3Å; V100-V103 WeakPolarHBondContact O-CG2 3.45Å; V100-V103 PolarHBondContact O-N 3.49Å; V100-I129 HydrophobicContact CG1-CB 3.72Å; V100-I129 HydrophobicContact CG1-CG2 3.34Å |
| 101 | I | 86.2 | Confident | 88.7 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 46% | 0.456 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -57.9 | -22.5 | -180 | 76 | 166.7 | 0 | 0 | 0 | 113.2 | D99 V103 T104 M134 | D99-I101 PolarHBondContact O-N 3.39Å; I101-V103 PolarHBondContact O-N 2.73Å; I101-T104 WeakPolarHBondContact O-CB 3.25Å; I101-T104 PolarHBondContact O-N 3.35Å; I101-T104 PolarHBondContact O-OG1 3.23Å; I101-M134 HydrophobicContact CB-CE 3.53Å; I101-M134 HydrophobicContact CB-SD 3.91Å; I101-M134 HydrophobicContact CD1-CE 3.88Å; I101-M134 HydrophobicContact CG1-CE 4.31Å; I101-M134 HydrophobicContact CG2-CE 3.17Å; I101-M134 HydrophobicContact CG2-SD 3.72Å |
| 102 | I | 86.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -58.7 | -29.8 | -177.5 | -166.8 | 168.9 | 0 | 0 | 0 | 113.3 | F68 F69 T72 D99 V100 T104 | F68-I102 HydrophobicContact CE1-CG2 3.94Å; F69-I102 HydrophobicContact CD1-CD1 4.13Å; F69-I102 HydrophobicContact CD1-CG2 4.33Å; F69-I102 HydrophobicContact CE1-CB 4.45Å; F69-I102 HydrophobicContact CE1-CD1 3.69Å; F69-I102 HydrophobicContact CE1-CG2 3.94Å; T72-I102 HydrophobicContact CG2-CG2 4.18Å; D99-I102 WeakPolarHBondContact O-CG2 3.26Å; D99-I102 PolarHBondContact O-N 2.82Å; D99-I102 VanDerWaalsContact O-N 3.15Å; V100-I102 PolarHBondContact O-N 3.33Å; I102-T104 VanDerWaalsContact C-N 3.28Å; I102-T104 PolarHBondContact O-N 2.91Å |
| 103 | V | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -81.2 | -5.7 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | F68 T72 W75 V90 V100 I101 S105 S106 L107 I129 | F68-V103 HydrophobicContact CE1-CG1 3.83Å; F68-V103 HydrophobicContact CZ-CG1 3.79Å; F68-V103 HydrophobicContact CZ-CG2 3.9Å; T72-V103 HydrophobicContact CG2-CG1 3.28Å; W75-V103 HydrophobicContact CH2-CB 4.47Å; W75-V103 HydrophobicContact CZ3-CB 4.3Å; W75-V103 HydrophobicContact CZ3-CG1 4.03Å; V90-V103 HydrophobicContact CG1-CG2 4.21Å; V100-V103 VanDerWaalsContact O-CG2 3.3Å; V100-V103 WeakPolarHBondContact O-CG2 3.45Å; V100-V103 PolarHBondContact O-N 3.49Å; I101-V103 PolarHBondContact O-N 2.73Å; V103-S105 VanDerWaalsContact C-N 3.27Å; V103-S105 PolarHBondContact O-N 2.91Å; V103-S106 PolarHBondContact O-N 2.92Å; V103-S106 VanDerWaalsContact O-N 3.16Å; V103-L107 HydrophobicContact CB-CD1 4.17Å; V103-L107 HydrophobicContact CB-CG 4.5Å; V103-L107 HydrophobicContact CG2-CD1 3.58Å; V103-L107 HydrophobicContact CG2-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.29Å; V103-L107 PolarHBondContact O-N 3.42Å; V103-I129 HydrophobicContact CG2-CD1 3.5Å; V103-I129 VanDerWaalsContact CG2-CD1 3.5Å |
| 104 | T | 87.8 | Confident | 88.3 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.3 | -40.8 | -176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | I101 I102 T108 L126 | I101-T104 WeakPolarHBondContact O-CB 3.25Å; I101-T104 PolarHBondContact O-N 3.35Å; I101-T104 PolarHBondContact O-OG1 3.23Å; I102-T104 VanDerWaalsContact C-N 3.28Å; I102-T104 PolarHBondContact O-N 2.91Å; T104-T108 VanDerWaalsContact O-CB 3.26Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3Å; T104-T108 PolarHBondContact O-OG1 3.41Å; T104-L126 HydrophobicContact CG2-CD1 4.08Å |
| 105 | S | 88 | Confident | 88.2 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | V103 T108 K109 | V103-S105 VanDerWaalsContact C-N 3.27Å; V103-S105 PolarHBondContact O-N 2.91Å; S105-T108 PolarHBondContact O-N 2.77Å; S105-K109 WeakPolarHBondContact O-CB 3.27Å; S105-K109 PolarHBondContact O-N 2.81Å |
| 106 | S | 91.2 | Very high | 88.1 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 112 | V103 K109 D110 | V103-S106 PolarHBondContact O-N 2.92Å; V103-S106 VanDerWaalsContact O-N 3.16Å; S106-K109 PolarHBondContact O-N 2.69Å; S106-D110 PolarHBondContact O-N 3.16Å |
| 107 | L | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176.6 | -73.5 | 167.2 | 0 | 0 | 0 | 112.2 | W75 Y87 V103 K109 D110 M111 A122 A125 L126 I129 | W75-L107 HydrophobicContact CH2-CD2 3.75Å; W75-L107 HydrophobicContact CH2-CG 3.95Å; W75-L107 HydrophobicContact CZ2-CD2 3.6Å; W75-L107 HydrophobicContact CZ2-CG 3.89Å; Y87-L107 HydrophobicContact CD1-CD2 3.9Å; Y87-L107 HydrophobicContact CE1-CD2 3.72Å; V103-L107 HydrophobicContact CB-CD1 4.17Å; V103-L107 HydrophobicContact CB-CG 4.5Å; V103-L107 HydrophobicContact CG2-CD1 3.58Å; V103-L107 HydrophobicContact CG2-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.29Å; V103-L107 PolarHBondContact O-N 3.42Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-D110 PolarHBondContact O-N 3.25Å; L107-M111 VanDerWaalsContact O-CB 3.26Å; L107-M111 WeakPolarHBondContact O-CB 3.39Å; L107-M111 PolarHBondContact O-N 2.68Å; L107-A122 HydrophobicContact CD2-CB 4.15Å; L107-A125 HydrophobicContact CD1-CB 4.43Å; L107-A125 HydrophobicContact CD2-CB 3.7Å; L107-L126 HydrophobicContact CB-CB 4.25Å; L107-L126 HydrophobicContact CB-CD1 4.14Å; L107-L126 HydrophobicContact CD1-CB 4.25Å; L107-L126 HydrophobicContact CD1-CD1 4.22Å; L107-I129 HydrophobicContact CD1-CD1 3.49Å; L107-I129 VanDerWaalsContact CD1-CD1 3.49Å; L107-I129 HydrophobicContact CD1-CG1 4.35Å |
| 108 | T | 89.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | T104 S105 M111 T112 Y141 | T104-T108 VanDerWaalsContact O-CB 3.26Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3Å; T104-T108 PolarHBondContact O-OG1 3.41Å; S105-T108 PolarHBondContact O-N 2.77Å; T108-M111 HydrophobicContact CG2-CE 4.06Å; T108-M111 PolarHBondContact O-N 3.13Å; T108-T112 PolarHBondContact O-N 3.04Å; T108-T112 VanDerWaalsContact O-N 3.08Å; T108-T112 PolarHBondContact O-OG1 3.02Å; T108-Y141 HydrophobicContact CG2-CD2 3.9Å; T108-Y141 HydrophobicContact CG2-CE1 4.24Å; T108-Y141 HydrophobicContact CG2-CE2 3.49Å; T108-Y141 VanDerWaalsContact CG2-CE2 3.49Å; T108-Y141 HydrophobicContact CG2-CG 4.43Å |
| 109 | K | 90.8 | Very high | 88.5 | Confident | 158 Ų | 158 | 60.7 Ų | 60.7 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 173.9 | -174.4 | -178.2 | 178.5 | -176.9 | 0 | 111.7 | S105 S106 L107 T112 G113 | S105-K109 WeakPolarHBondContact O-CB 3.27Å; S105-K109 PolarHBondContact O-N 2.81Å; S106-K109 PolarHBondContact O-N 2.69Å; L107-K109 VanDerWaalsContact C-N 3.34Å; K109-T112 PolarHBondContact O-N 3.25Å; K109-T112 PolarHBondContact O-OG1 3.45Å; K109-G113 WeakPolarHBondContact O-CA 3.39Å; K109-G113 PolarHBondContact O-N 2.88Å |
| 110 | D | 91.6 | Very high | 88.8 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.6 | -32.9 | 179.4 | -75.6 | -11 | 0 | 0 | 0 | 112.7 | W75 R83 Y87 S106 L107 G113 R119 A122 | W75-D110 PolarHBondContact NE1-OD2 3.08Å; R83-D110 IonicContact CZ-OD2 2.72Å; R83-D110 VanDerWaalsContact NH1-CG 3.28Å; R83-D110 IonicContact NH1-OD1 2.83Å; R83-D110 PolarHBondContact NH1-OD1 2.94Å; R83-D110 IonicContact NH1-OD2 3.12Å; R83-D110 PolarHBondContact NH1-OD2 3.33Å; Y87-D110 VanDerWaalsContact OH-CB 3.3Å; Y87-D110 WeakPolarHBondContact OH-CB 3.37Å; Y87-D110 PolarHBondContact OH-OD2 3.07Å; S106-D110 PolarHBondContact O-N 3.16Å; L107-D110 PolarHBondContact O-N 3.25Å; D110-G113 PolarHBondContact O-N 2.87Å; D110-R119 WeakPolarHBondContact O-CG 3.47Å; D110-A122 HydrophobicContact CB-CB 3.81Å |
| 111 | M | 90.1 | Very high | 89 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 173.2 | 175.1 | 175.4 | 54.6 | 0 | 0 | 112.5 | L107 T108 R119 A122 I123 L126 Y141 | L107-M111 VanDerWaalsContact O-CB 3.26Å; L107-M111 WeakPolarHBondContact O-CB 3.39Å; L107-M111 PolarHBondContact O-N 2.68Å; T108-M111 HydrophobicContact CG2-CE 4.06Å; T108-M111 PolarHBondContact O-N 3.13Å; M111-R119 WeakPolarHBondContact O-CG 3.48Å; M111-R119 PolarHBondContact O-NE 3.32Å; M111-A122 HydrophobicContact CB-CB 4.33Å; M111-I123 HydrophobicContact CB-CG1 4.45Å; M111-I123 HydrophobicContact CG-CD1 4.24Å; M111-I123 HydrophobicContact CG-CG1 3.71Å; M111-I123 HydrophobicContact SD-CG1 3.72Å; M111-L126 HydrophobicContact CE-CD2 3.72Å; M111-L126 HydrophobicContact SD-CD2 4.13Å; M111-Y141 HydrophobicContact CE-CD1 4.32Å; M111-Y141 HydrophobicContact CE-CD2 3.87Å; M111-Y141 HydrophobicContact CE-CG 3.55Å |
| 112 | T | 87.9 | Confident | 89.4 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -94.9 | -3.5 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | T108 K109 Y141 | T108-T112 PolarHBondContact O-N 3.04Å; T108-T112 VanDerWaalsContact O-N 3.08Å; T108-T112 PolarHBondContact O-OG1 3.02Å; K109-T112 PolarHBondContact O-N 3.25Å; K109-T112 PolarHBondContact O-OG1 3.45Å; T112-Y141 HydrophobicContact CG2-CD1 3.4Å; T112-Y141 HydrophobicContact CG2-CE1 3.56Å; T112-Y141 HydrophobicContact CG2-CG 4.36Å |
| 113 | G | 87 | Confident | 89.7 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -68.1 | 166.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K109 D110 E115 R119 | K109-G113 WeakPolarHBondContact O-CA 3.39Å; K109-G113 PolarHBondContact O-N 2.88Å; D110-G113 PolarHBondContact O-N 2.87Å; G113-E115 VanDerWaalsContact C-N 3.28Å; G113-E115 PolarHBondContact O-N 3.08Å; G113-R119 WeakPolarHBondContact O-CD 3.12Å |
| 114 | K | 85.5 | Confident | 89.8 | Confident | 209 Ų | 209 | 53.3 Ų | 53.3 | 91% | 0.909 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -72.9 | -21.2 | 178.3 | -64 | -177.5 | 179.8 | 180 | 0 | 113.1 | N116 | K114-N116 PolarHBondContact O-N 3.46Š|
| 115 | E | 86.5 | Confident | 90 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | trans | -85.3 | 97.7 | -174.1 | -66.3 | -168.6 | -151.1 | 0 | 0 | 111.9 | G113 I117 Y118 R119 | G113-E115 VanDerWaalsContact C-N 3.28Å; G113-E115 PolarHBondContact O-N 3.08Å; E115-I117 PolarHBondContact O-N 3.34Å; E115-Y118 HydrophobicContact CB-CD2 3.72Å; E115-Y118 HydrophobicContact CB-CE2 4.07Å; E115-Y118 HydrophobicContact CB-CG 4.28Å; E115-Y118 VanDerWaalsContact CD-CE2 3.49Å; E115-Y118 HydrophobicContact CG-CD2 4.43Å; E115-Y118 HydrophobicContact CG-CE2 4.35Å; E115-Y118 PolarHBondContact O-N 3.03Å; E115-Y118 WeakPolarHBondContact OE2-CE2 3.49Å; E115-Y118 PolarHBondContact OE2-OH 3.28Å; E115-R119 PolarHBondContact O-N 2.9Å | ||
| 116 | N | 85.4 | Confident | 90.1 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.8 | -25.9 | -178.9 | -68.7 | -33.6 | 0 | 0 | 0 | 114.5 | K114 Y118 | K114-N116 PolarHBondContact O-N 3.46Å; N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.38Å |
| 117 | I | 86.7 | Confident | 90 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 179.1 | -59.6 | 172.4 | 0 | 0 | 0 | 111.3 | R84 E115 | R84-I117 VanDerWaalsContact NH2-CG2 3.33Å; E115-I117 PolarHBondContact O-N 3.34Å |
| 118 | Y | 90.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -84.5 | -40.8 | -177.5 | -62.5 | -21.5 | 0 | 0 | 0 | 112.1 | N78 T80 R83 Y87 E115 N116 A120 A121 A122 | N78-Y118 PolarHBondContact O-OH 3.4Å; T80-Y118 HydrophobicContact CG2-CE1 4.16Å; T80-Y118 WeakPolarHBondContact CG2-OH 3.46Å; R83-Y118 HydrophobicContact CB-CE1 3.98Å; R83-Y118 HydrophobicContact CG-CD1 4.01Å; R83-Y118 HydrophobicContact CG-CE1 3.86Å; Y87-Y118 HydrophobicContact CE2-CD1 4.39Å; Y87-Y118 WeakPolarHBondContact OH-CB 3.3Å; E115-Y118 HydrophobicContact CB-CD2 3.72Å; E115-Y118 HydrophobicContact CB-CE2 4.07Å; E115-Y118 HydrophobicContact CB-CG 4.28Å; E115-Y118 VanDerWaalsContact CD-CE2 3.49Å; E115-Y118 HydrophobicContact CG-CD2 4.43Å; E115-Y118 HydrophobicContact CG-CE2 4.35Å; E115-Y118 PolarHBondContact O-N 3.03Å; E115-Y118 WeakPolarHBondContact OE2-CE2 3.49Å; E115-Y118 PolarHBondContact OE2-OH 3.28Å; N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.38Å; Y118-A120 PolarHBondContact O-N 3.48Å; Y118-A121 PolarHBondContact O-N 2.66Å; Y118-A122 WeakPolarHBondContact O-CB 3.28Å; Y118-A122 PolarHBondContact O-N 3.04Å |
| 119 | R | 92.1 | Very high | 89.7 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.8 | -51.8 | -169.2 | -60.3 | 177 | 71.2 | -152.8 | -4 | 113.6 | D110 M111 G113 E115 A121 A122 I123 D148 V153 | D110-R119 WeakPolarHBondContact O-CG 3.47Å; M111-R119 WeakPolarHBondContact O-CG 3.48Å; M111-R119 PolarHBondContact O-NE 3.32Å; G113-R119 WeakPolarHBondContact O-CD 3.12Å; E115-R119 PolarHBondContact O-N 2.9Å; R119-A121 PolarHBondContact O-N 2.92Å; R119-A122 PolarHBondContact O-N 3.5Å; R119-I123 VanDerWaalsContact O-CG1 3.29Å; R119-I123 WeakPolarHBondContact O-CG1 3.43Å; R119-I123 PolarHBondContact O-N 3.46Å; R119-D148 IonicContact CZ-OD2 2.69Å; R119-D148 IonicContact NH1-OD1 2.67Å; R119-D148 PolarHBondContact NH1-OD1 3.12Å; R119-D148 IonicContact NH1-OD2 2.92Å; R119-D148 PolarHBondContact NH1-OD2 2.73Å; R119-D148 IonicContact NH2-OD2 3.36Å; R119-D148 PolarHBondContact NH2-OD2 2.82Å; R119-V153 HydrophobicContact CB-CG2 3.79Å |
| 120 | A | 91.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -35.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y118 R124 A152 V153 A156 | Y118-A120 PolarHBondContact O-N 3.48Å; A120-R124 WeakPolarHBondContact O-CG 3.49Å; A120-R124 PolarHBondContact O-N 3.4Å; A120-A152 HydrophobicContact CB-CB 4.26Å; A120-A152 WeakPolarHBondContact CB-O 3.24Å; A120-V153 HydrophobicContact CB-CG2 4.49Å; A120-A156 HydrophobicContact CB-CB 3.96Å |
| 121 | A | 92.1 | Very high | 88.8 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y87 Y118 R119 R124 A125 | Y87-A121 HydrophobicContact CD2-CB 3.45Å; Y87-A121 VanDerWaalsContact CD2-CB 3.45Å; Y87-A121 HydrophobicContact CE2-CB 3.71Å; Y87-A121 HydrophobicContact CG-CB 4.03Å; Y118-A121 PolarHBondContact O-N 2.66Å; R119-A121 PolarHBondContact O-N 2.92Å; A121-R124 PolarHBondContact O-N 2.93Å; A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 2.92Å |
| 122 | A | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y87 L107 D110 M111 Y118 R119 R124 A125 L126 | Y87-A122 HydrophobicContact CE1-CB 3.97Å; L107-A122 HydrophobicContact CD2-CB 4.15Å; D110-A122 HydrophobicContact CB-CB 3.81Å; M111-A122 HydrophobicContact CB-CB 4.33Å; Y118-A122 WeakPolarHBondContact O-CB 3.28Å; Y118-A122 PolarHBondContact O-N 3.04Å; R119-A122 PolarHBondContact O-N 3.5Å; A122-R124 PolarHBondContact O-N 2.99Å; A122-A125 PolarHBondContact O-N 3Å; A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 PolarHBondContact O-N 3.14Å |
| 123 | I | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 174.8 | -70.1 | 162.4 | 0 | 0 | 0 | 111.3 | M111 R119 A125 L126 C127 M142 A145 V153 A156 A157 | M111-I123 HydrophobicContact CB-CG1 4.45Å; M111-I123 HydrophobicContact CG-CD1 4.24Å; M111-I123 HydrophobicContact CG-CG1 3.71Å; M111-I123 HydrophobicContact SD-CG1 3.72Å; R119-I123 VanDerWaalsContact O-CG1 3.29Å; R119-I123 WeakPolarHBondContact O-CG1 3.43Å; R119-I123 PolarHBondContact O-N 3.46Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.49Å; I123-L126 PolarHBondContact O-N 3Å; I123-C127 WeakPolarHBondContact O-CB 3.46Å; I123-C127 PolarHBondContact O-N 2.8Å; I123-C127 PolarHBondContact O-SG 2.97Å; I123-M142 HydrophobicContact CG2-CE 4.15Å; I123-M142 HydrophobicContact CG2-SD 4.06Å; I123-A145 HydrophobicContact CD1-CB 3.7Å; I123-V153 HydrophobicContact CD1-CG1 3.65Å; I123-A156 HydrophobicContact CG2-CB 4.39Å; I123-A157 HydrophobicContact CG2-CB 4.44Å |
| 124 | R | 92.3 | Very high | 87.8 | Confident | 123 Ų | 123 | 51.8 Ų | 51.8 | 46% | 0.464 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 180 | -72.8 | -175.3 | -69.1 | -109.8 | 1 | 112.8 | A120 A121 A122 R128 A156 | A120-R124 WeakPolarHBondContact O-CG 3.49Å; A120-R124 PolarHBondContact O-N 3.4Å; A121-R124 PolarHBondContact O-N 2.93Å; A122-R124 PolarHBondContact O-N 2.99Å; R124-R128 PolarHBondContact O-N 3.47Å; R124-A156 HydrophobicContact CG-CB 4.18Å |
| 125 | A | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.1 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y87 K91 L107 A121 A122 I123 R128 I129 | Y87-A125 HydrophobicContact CD1-CB 4.11Å; K91-A125 HydrophobicContact CD-CB 4.29Å; K91-A125 HydrophobicContact CG-CB 3.97Å; L107-A125 HydrophobicContact CD1-CB 4.43Å; L107-A125 HydrophobicContact CD2-CB 3.7Å; A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 2.92Å; A122-A125 PolarHBondContact O-N 3Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.49Å; A125-R128 WeakPolarHBondContact O-CB 3.47Å; A125-R128 PolarHBondContact O-N 2.87Å; A125-I129 PolarHBondContact O-N 3.43Å |
| 126 | L | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | 177.6 | -175.3 | 59 | 0 | 0 | 0 | 111.3 | T104 L107 M111 A122 I123 R128 I129 T130 I138 | T104-L126 HydrophobicContact CG2-CD1 4.08Å; L107-L126 HydrophobicContact CB-CB 4.25Å; L107-L126 HydrophobicContact CB-CD1 4.14Å; L107-L126 HydrophobicContact CD1-CB 4.25Å; L107-L126 HydrophobicContact CD1-CD1 4.22Å; M111-L126 HydrophobicContact CE-CD2 3.72Å; M111-L126 HydrophobicContact SD-CD2 4.13Å; A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 PolarHBondContact O-N 3.14Å; I123-L126 PolarHBondContact O-N 3Å; L126-R128 PolarHBondContact O-N 3.12Å; L126-R128 VanDerWaalsContact O-N 3.11Å; L126-I129 HydrophobicContact CD1-CD1 4.12Å; L126-I129 HydrophobicContact CD1-CG1 4.27Å; L126-I129 WeakPolarHBondContact O-CG1 3.39Å; L126-I129 PolarHBondContact O-N 3.27Å; L126-T130 PolarHBondContact O-N 3.45Å; L126-T130 PolarHBondContact O-OG1 2.92Å; L126-I138 HydrophobicContact CD1-CG2 4.3Å; L126-I138 HydrophobicContact CD2-CB 4.34Å; L126-I138 HydrophobicContact CD2-CD1 4.45Å; L126-I138 HydrophobicContact CD2-CG2 3.86Å; L126-I138 HydrophobicContact CG-CD1 4.37Å; L126-I138 HydrophobicContact CG-CG2 4.26Å |
| 127 | C | 89.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -17.2 | -178.1 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | I123 S160 L164 | I123-C127 WeakPolarHBondContact O-CB 3.46Å; I123-C127 PolarHBondContact O-N 2.8Å; I123-C127 PolarHBondContact O-SG 2.97Å; C127-S160 WeakPolarHBondContact SG-CB 3.3Å; C127-L164 HydrophobicContact CB-CD1 4.03Å; C127-L164 HydrophobicContact CB-CD2 4.38Å; C127-L164 HydrophobicContact CB-CG 4.24Å |
| 128 | R | 87.7 | Confident | 87.7 | Confident | 143 Ų | 143 | 40 Ų | 40 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.8 | -38.9 | 172.6 | -174.7 | 61.8 | 168.8 | 177.8 | 0.6 | 111.4 | K91 R124 A125 L126 | K91-R128 HydrophobicContact CG-CB 4.43Å; R124-R128 PolarHBondContact O-N 3.47Å; A125-R128 WeakPolarHBondContact O-CB 3.47Å; A125-R128 PolarHBondContact O-N 2.87Å; L126-R128 PolarHBondContact O-N 3.12Å; L126-R128 VanDerWaalsContact O-N 3.11Å |
| 129 | I | 86.8 | Confident | 87.7 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -85.1 | -23.3 | -179.3 | 68 | 169.3 | 0 | 0 | 0 | 113 | V90 A94 V100 V103 L107 A125 L126 D131 | V90-I129 HydrophobicContact CG1-CG2 4.3Å; A94-I129 HydrophobicContact CB-CG2 3.7Å; V100-I129 HydrophobicContact CG1-CB 3.72Å; V100-I129 HydrophobicContact CG1-CG2 3.34Å; V103-I129 HydrophobicContact CG2-CD1 3.5Å; V103-I129 VanDerWaalsContact CG2-CD1 3.5Å; L107-I129 HydrophobicContact CD1-CD1 3.49Å; L107-I129 VanDerWaalsContact CD1-CD1 3.49Å; L107-I129 HydrophobicContact CD1-CG1 4.35Å; A125-I129 PolarHBondContact O-N 3.43Å; L126-I129 HydrophobicContact CD1-CD1 4.12Å; L126-I129 HydrophobicContact CD1-CG1 4.27Å; L126-I129 WeakPolarHBondContact O-CG1 3.39Å; L126-I129 PolarHBondContact O-N 3.27Å; I129-D131 PolarHBondContact O-N 3.47Å |
| 130 | T | 84.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -64.9 | 127.9 | -179 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | L126 M134 L135 I138 L164 K167 | L126-T130 PolarHBondContact O-N 3.45Å; L126-T130 PolarHBondContact O-OG1 2.92Å; T130-M134 HydrophobicContact CG2-CB 4.09Å; T130-L135 HydrophobicContact CG2-CB 4.21Å; T130-L135 HydrophobicContact CG2-CD1 4.27Å; T130-I138 HydrophobicContact CG2-CD1 3.82Å; T130-I138 HydrophobicContact CG2-CG1 4.38Å; T130-L164 HydrophobicContact CG2-CD2 4.5Å; T130-K167 PolarHBondContact O-NZ 3.39Å | ||
| 131 | D | 79.9 | Confident | 87.6 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -98.7 | -178.2 | 169.5 | 70.9 | -15.8 | 0 | 0 | 0 | 110.6 | I129 S133 M134 L135 | I129-D131 PolarHBondContact O-N 3.47Å; D131-S133 VanDerWaalsContact CG-OG 3.22Å; D131-S133 PolarHBondContact O-N 3.23Å; D131-S133 PolarHBondContact OD1-N 3.32Å; D131-S133 PolarHBondContact OD1-OG 2.8Å; D131-S133 PolarHBondContact OD2-OG 3.26Å; D131-M134 PolarHBondContact O-N 3Å; D131-M134 VanDerWaalsContact OD1-CB 3.27Å; D131-M134 WeakPolarHBondContact OD1-CB 3.25Å; D131-M134 WeakPolarHBondContact OD1-CG 3.46Å; D131-M134 PolarHBondContact OD1-N 3.35Å; D131-L135 PolarHBondContact O-N 2.7Å | ||
| 132 | A | 80.2 | Confident | 87.6 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 133 | S | 80.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 53 Ų | 53 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35.9 | -177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | D131 | D131-S133 VanDerWaalsContact CG-OG 3.22Å; D131-S133 PolarHBondContact O-N 3.23Å; D131-S133 PolarHBondContact OD1-N 3.32Å; D131-S133 PolarHBondContact OD1-OG 2.8Å; D131-S133 PolarHBondContact OD2-OG 3.26Å |
| 134 | M | 82.4 | Confident | 87.5 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.4 | -176.7 | -66.1 | -176.4 | -169.9 | 0 | 0 | 114.2 | I101 T130 D131 Q136 A137 I138 | I101-M134 HydrophobicContact CB-CE 3.53Å; I101-M134 HydrophobicContact CB-SD 3.91Å; I101-M134 HydrophobicContact CD1-CE 3.88Å; I101-M134 HydrophobicContact CG1-CE 4.31Å; I101-M134 HydrophobicContact CG2-CE 3.17Å; I101-M134 HydrophobicContact CG2-SD 3.72Å; T130-M134 HydrophobicContact CG2-CB 4.09Å; D131-M134 PolarHBondContact O-N 3Å; D131-M134 VanDerWaalsContact OD1-CB 3.27Å; D131-M134 WeakPolarHBondContact OD1-CB 3.25Å; D131-M134 WeakPolarHBondContact OD1-CG 3.46Å; D131-M134 PolarHBondContact OD1-N 3.35Å; M134-Q136 VanDerWaalsContact C-N 3.25Å; M134-Q136 PolarHBondContact O-N 3.21Å; M134-A137 WeakPolarHBondContact O-CB 3.28Å; M134-A137 PolarHBondContact O-N 3.25Å; M134-I138 PolarHBondContact O-N 2.93Å |
| 135 | L | 83.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -39 | -175.9 | -174.1 | 58.9 | 0 | 0 | 0 | 112.5 | T130 D131 A137 I138 E139 L164 N168 C171 I172 W175 | T130-L135 HydrophobicContact CG2-CB 4.21Å; T130-L135 HydrophobicContact CG2-CD1 4.27Å; D131-L135 PolarHBondContact O-N 2.7Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.36Å; L135-I138 HydrophobicContact CD1-CD1 4.11Å; L135-I138 HydrophobicContact CD1-CG1 4.13Å; L135-I138 VanDerWaalsContact O-CG1 3.3Å; L135-I138 WeakPolarHBondContact O-CG1 3.39Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-E139 PolarHBondContact O-N 2.91Å; L135-L164 HydrophobicContact CD1-CD1 3.7Å; L135-L164 HydrophobicContact CD1-CD2 4.48Å; L135-L164 HydrophobicContact CD1-CG 4.49Å; L135-N168 HydrophobicContact CD2-CB 3.68Å; L135-C171 HydrophobicContact CD2-CB 3.57Å; L135-C171 HydrophobicContact CG-CB 4.27Å; L135-I172 HydrophobicContact CD2-CD1 4.49Å; L135-W175 HydrophobicContact CD1-CH2 4.09Å; L135-W175 HydrophobicContact CD1-CZ2 4.4Å |
| 136 | Q | 84.4 | Confident | 87.7 | Confident | 145 Ų | 145 | 51.9 Ų | 51.9 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.4 | -34.4 | 177.6 | -64.8 | -175.9 | 8.5 | 0 | 0 | 112.4 | M134 I138 E139 | M134-Q136 VanDerWaalsContact C-N 3.25Å; M134-Q136 PolarHBondContact O-N 3.21Å; Q136-I138 VanDerWaalsContact C-N 3.3Å; Q136-I138 PolarHBondContact O-N 3.04Å; Q136-E139 WeakPolarHBondContact O-CB 3.42Å; Q136-E139 PolarHBondContact O-N 3.31Å |
| 137 | A | 85.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.4 | -29.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M134 L135 | M134-A137 WeakPolarHBondContact O-CB 3.28Å; M134-A137 PolarHBondContact O-N 3.25Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.36Å |
| 138 | I | 88.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -96.4 | -10.8 | -179.9 | 68.5 | 162.2 | 0 | 0 | 0 | 113.5 | L126 T130 M134 L135 Q136 R140 Y141 M142 | L126-I138 HydrophobicContact CD1-CG2 4.3Å; L126-I138 HydrophobicContact CD2-CB 4.34Å; L126-I138 HydrophobicContact CD2-CD1 4.45Å; L126-I138 HydrophobicContact CD2-CG2 3.86Å; L126-I138 HydrophobicContact CG-CD1 4.37Å; L126-I138 HydrophobicContact CG-CG2 4.26Å; T130-I138 HydrophobicContact CG2-CD1 3.82Å; T130-I138 HydrophobicContact CG2-CG1 4.38Å; M134-I138 PolarHBondContact O-N 2.93Å; L135-I138 HydrophobicContact CD1-CD1 4.11Å; L135-I138 HydrophobicContact CD1-CG1 4.13Å; L135-I138 VanDerWaalsContact O-CG1 3.3Å; L135-I138 WeakPolarHBondContact O-CG1 3.39Å; L135-I138 PolarHBondContact O-N 3.41Å; Q136-I138 VanDerWaalsContact C-N 3.3Å; Q136-I138 PolarHBondContact O-N 3.04Å; I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 2.98Å; I138-Y141 PolarHBondContact O-N 3.36Å; I138-M142 HydrophobicContact CD1-CG 4.02Å; I138-M142 HydrophobicContact CG1-CG 4.24Å; I138-M142 PolarHBondContact O-N 3.07Å |
| 139 | E | 89.6 | Confident | 88 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -50.7 | -48.8 | -174 | 170 | 166.8 | -171.8 | 0 | 0 | 112.7 | L135 Q136 Y141 M142 K143 W175 | L135-E139 PolarHBondContact O-N 2.91Å; Q136-E139 WeakPolarHBondContact O-CB 3.42Å; Q136-E139 PolarHBondContact O-N 3.31Å; E139-Y141 VanDerWaalsContact C-N 3.29Å; E139-Y141 PolarHBondContact O-N 3.31Å; E139-M142 PolarHBondContact O-N 3.14Å; E139-K143 HydrophobicContact CG-CD 4.19Å; E139-K143 WeakPolarHBondContact O-CG 3.4Å; E139-K143 PolarHBondContact O-N 3.23Å; E139-K143 WeakPolarHBondContact OE1-CE 3.19Å; E139-K143 IonicContact OE1-NZ 2.78Å; E139-K143 PolarHBondContact OE1-NZ 2.91Å; E139-W175 HydrophobicContact CB-CZ2 4.07Å; E139-W175 HydrophobicContact CG-CZ2 3.97Å; E139-W175 PolarHBondContact OE1-NE1 3.18Å; E139-W175 VanDerWaalsContact OE1-NE1 3.14Å |
| 140 | R | 90.9 | Very high | 88.2 | Confident | 179 Ų | 179 | 61.3 Ų | 61.3 | 68% | 0.675 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.6 | -42.1 | -179.8 | -178.8 | -179.3 | 176.2 | -175 | 1.1 | 112 | I138 Q144 | I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 2.98Å; R140-Q144 WeakPolarHBondContact O-CG 3.43Å; R140-Q144 PolarHBondContact O-N 3.05Å |
| 141 | Y | 91.2 | Very high | 88.6 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.9 | -36.6 | -178.6 | -57.1 | -68.1 | 0 | 0 | 0 | 111.9 | T108 M111 T112 I138 E139 Q144 A145 | T108-Y141 HydrophobicContact CG2-CD2 3.9Å; T108-Y141 HydrophobicContact CG2-CE1 4.24Å; T108-Y141 HydrophobicContact CG2-CE2 3.49Å; T108-Y141 VanDerWaalsContact CG2-CE2 3.49Å; T108-Y141 HydrophobicContact CG2-CG 4.43Å; M111-Y141 HydrophobicContact CE-CD1 4.32Å; M111-Y141 HydrophobicContact CE-CD2 3.87Å; M111-Y141 HydrophobicContact CE-CG 3.55Å; T112-Y141 HydrophobicContact CG2-CD1 3.4Å; T112-Y141 HydrophobicContact CG2-CE1 3.56Å; T112-Y141 HydrophobicContact CG2-CG 4.36Å; I138-Y141 PolarHBondContact O-N 3.36Å; E139-Y141 VanDerWaalsContact C-N 3.29Å; E139-Y141 PolarHBondContact O-N 3.31Å; Y141-Q144 PolarHBondContact O-N 2.91Å; Y141-A145 WeakPolarHBondContact O-CB 3.38Å; Y141-A145 PolarHBondContact O-N 2.94Å |
| 142 | M | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 175.7 | -70.6 | -58.7 | -65.5 | 0 | 0 | 111.6 | I123 I138 E139 Q144 A145 I146 A157 W175 | I123-M142 HydrophobicContact CG2-CE 4.15Å; I123-M142 HydrophobicContact CG2-SD 4.06Å; I138-M142 HydrophobicContact CD1-CG 4.02Å; I138-M142 HydrophobicContact CG1-CG 4.24Å; I138-M142 PolarHBondContact O-N 3.07Å; E139-M142 PolarHBondContact O-N 3.14Å; M142-Q144 VanDerWaalsContact C-N 3.34Å; M142-Q144 PolarHBondContact O-N 3.47Å; M142-A145 PolarHBondContact O-N 3.24Å; M142-A145 VanDerWaalsContact O-N 3.13Å; M142-I146 VanDerWaalsContact O-CG1 3.29Å; M142-I146 WeakPolarHBondContact O-CG1 3.43Å; M142-I146 PolarHBondContact O-N 3.29Å; M142-A157 HydrophobicContact CE-CB 4.13Å; M142-W175 HydrophobicContact CB-CE3 4.5Å; M142-W175 HydrophobicContact CB-CH2 3.64Å; M142-W175 HydrophobicContact CB-CZ2 4.34Å; M142-W175 HydrophobicContact CB-CZ3 3.73Å; M142-W175 HydrophobicContact CE-CZ3 4.48Å; M142-W175 HydrophobicContact CG-CH2 4.01Å; M142-W175 HydrophobicContact CG-CZ3 4.32Å |
| 143 | K | 92.7 | Very high | 89.8 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 22% | 0.222 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 173.6 | -75.4 | 176.4 | 177 | 176.7 | 0 | 112.2 | E139 A145 I146 W175 E178 | E139-K143 HydrophobicContact CG-CD 4.19Å; E139-K143 WeakPolarHBondContact O-CG 3.4Å; E139-K143 PolarHBondContact O-N 3.23Å; E139-K143 WeakPolarHBondContact OE1-CE 3.19Å; E139-K143 IonicContact OE1-NZ 2.78Å; E139-K143 PolarHBondContact OE1-NZ 2.91Å; K143-A145 VanDerWaalsContact C-N 3.35Å; K143-A145 PolarHBondContact O-N 3.42Å; K143-I146 PolarHBondContact O-N 2.99Å; K143-W175 HydrophobicContact CG-CD2 4.46Å; K143-W175 HydrophobicContact CG-CG 4.17Å; K143-E178 HydrophobicContact CB-CG 4.07Å; K143-E178 WeakPolarHBondContact CD-OE1 3.47Å; K143-E178 HydrophobicContact CG-CG 4.15Å |
| 144 | Q | 92.3 | Very high | 90.4 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 175.9 | -70.8 | 176.2 | -8.2 | 0 | 0 | 112.5 | R140 Y141 M142 D148 | R140-Q144 WeakPolarHBondContact O-CG 3.43Å; R140-Q144 PolarHBondContact O-N 3.05Å; Y141-Q144 PolarHBondContact O-N 2.91Å; M142-Q144 VanDerWaalsContact C-N 3.34Å; M142-Q144 PolarHBondContact O-N 3.47Å; Q144-D148 PolarHBondContact O-N 3.35Å |
| 145 | A | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I123 Y141 M142 K143 V147 D148 V153 A154 A157 | I123-A145 HydrophobicContact CD1-CB 3.7Å; Y141-A145 WeakPolarHBondContact O-CB 3.38Å; Y141-A145 PolarHBondContact O-N 2.94Å; M142-A145 PolarHBondContact O-N 3.24Å; M142-A145 VanDerWaalsContact O-N 3.13Å; K143-A145 VanDerWaalsContact C-N 3.35Å; K143-A145 PolarHBondContact O-N 3.42Å; A145-V147 VanDerWaalsContact C-N 3.31Å; A145-V147 PolarHBondContact O-N 2.87Å; A145-D148 VanDerWaalsContact O-CB 3.28Å; A145-D148 WeakPolarHBondContact O-CB 3.31Å; A145-D148 PolarHBondContact O-N 3.19Å; A145-V153 HydrophobicContact CB-CG1 4.02Å; A145-A154 WeakPolarHBondContact O-CA 3.32Å; A145-A154 PolarHBondContact O-N 3.08Å; A145-A157 HydrophobicContact CB-CB 3.68Å |
| 146 | I | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 177.5 | -72.9 | 165.9 | 0 | 0 | 0 | 111.6 | M142 K143 A154 A157 L158 W175 E178 I179 A182 | M142-I146 VanDerWaalsContact O-CG1 3.29Å; M142-I146 WeakPolarHBondContact O-CG1 3.43Å; M142-I146 PolarHBondContact O-N 3.29Å; K143-I146 PolarHBondContact O-N 2.99Å; I146-A154 WeakPolarHBondContact O-CB 3.36Å; I146-A157 HydrophobicContact CG1-CB 3.87Å; I146-L158 HydrophobicContact CG1-CD2 4.4Å; I146-L158 HydrophobicContact CG2-CD2 3.92Å; I146-W175 HydrophobicContact CD1-CE3 3.82Å; I146-W175 HydrophobicContact CD1-CZ3 4.45Å; I146-E178 HydrophobicContact CG2-CB 4.08Å; I146-I179 HydrophobicContact CD1-CG1 4.32Å; I146-I179 HydrophobicContact CG2-CG1 4.47Å; I146-A182 HydrophobicContact CG2-CB 3.95Å |
| 147 | V | 92.2 | Very high | 92 | Very high | 54 Ų | 54 | 49 Ų | 49 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 15.5 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | A145 E178 E181 | A145-V147 VanDerWaalsContact C-N 3.31Å; A145-V147 PolarHBondContact O-N 2.87Å; V147-E178 HydrophobicContact CG1-CB 4Å; V147-E178 HydrophobicContact CG1-CG 4.43Å; V147-E181 HydrophobicContact CG1-CB 4.06Å; V147-E181 HydrophobicContact CG1-CG 4.15Å |
| 148 | D | 92.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -68.1 | 144.5 | -178.1 | -163 | -81.9 | 0 | 0 | 0 | 112.2 | R119 Q144 A145 V150 V153 | R119-D148 IonicContact CZ-OD2 2.69Å; R119-D148 IonicContact NH1-OD1 2.67Å; R119-D148 PolarHBondContact NH1-OD1 3.12Å; R119-D148 IonicContact NH1-OD2 2.92Å; R119-D148 PolarHBondContact NH1-OD2 2.73Å; R119-D148 IonicContact NH2-OD2 3.36Å; R119-D148 PolarHBondContact NH2-OD2 2.82Å; Q144-D148 PolarHBondContact O-N 3.35Å; A145-D148 VanDerWaalsContact O-CB 3.28Å; A145-D148 WeakPolarHBondContact O-CB 3.31Å; A145-D148 PolarHBondContact O-N 3.19Å; D148-V150 PolarHBondContact O-N 3.22Å; D148-V150 VanDerWaalsContact OD1-CB 3.3Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 WeakPolarHBondContact OD1-CG2 3.27Å; D148-V150 PolarHBondContact OD1-N 3.37Å; D148-V153 HydrophobicContact CB-CB 4.14Å; D148-V153 HydrophobicContact CB-CG1 3.87Å | ||
| 149 | R | 90 | Very high | 92.7 | Very high | 247 Ų | 247 | 47.8 Ų | 47.8 | 93% | 0.932 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -66.7 | -24 | 178.6 | -63.8 | -176.5 | -178.9 | -178.5 | -0.1 | 113 | P151 | R149-P151 WeakPolarHBondContact O-CD 3.45Š|
| 150 | V | 92.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 22% | 0.218 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -84.6 | 115.6 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | D148 A152 V153 A154 | D148-V150 PolarHBondContact O-N 3.22Å; D148-V150 VanDerWaalsContact OD1-CB 3.3Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 WeakPolarHBondContact OD1-CG2 3.27Å; D148-V150 PolarHBondContact OD1-N 3.37Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 HydrophobicContact CG1-CB 4.36Å; V150-A152 PolarHBondContact O-N 2.98Å; V150-A152 VanDerWaalsContact O-N 3.14Å; V150-V153 HydrophobicContact CB-CB 4.29Å; V150-V153 HydrophobicContact CB-CG2 3.94Å; V150-V153 HydrophobicContact CG1-CG2 3.97Å; V150-V153 PolarHBondContact O-N 3.13Å; V150-A154 PolarHBondContact O-N 2.86Å |
| 151 | P | 92 | Very high | 92.9 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -33.5 | -173.8 | -26.8 | 35.5 | 0 | 0 | 0 | 114.9 | R149 V153 S155 N187 I190 | R149-P151 WeakPolarHBondContact O-CD 3.45Å; P151-V153 VanDerWaalsContact C-N 3.29Å; P151-V153 PolarHBondContact O-N 3.05Å; P151-S155 WeakPolarHBondContact O-CB 3.47Å; P151-S155 PolarHBondContact O-N 2.92Å; P151-N187 WeakPolarHBondContact CB-ND2 3.33Å; P151-N187 WeakPolarHBondContact CG-ND2 3.48Å; P151-I190 HydrophobicContact CB-CD1 3.94Å; P151-I190 HydrophobicContact CB-CG1 4.35Å; P151-I190 HydrophobicContact CG-CD1 4.4Å |
| 152 | A | 92.6 | Very high | 93 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.6 | -33.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A120 V150 A156 | A120-A152 HydrophobicContact CB-CB 4.26Å; A120-A152 WeakPolarHBondContact CB-O 3.24Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 HydrophobicContact CG1-CB 4.36Å; V150-A152 PolarHBondContact O-N 2.98Å; V150-A152 VanDerWaalsContact O-N 3.14Å; A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 3.24Å; A152-A156 VanDerWaalsContact O-N 3.07Å |
| 153 | V | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.6 | -51.4 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | R119 A120 I123 A145 D148 V150 P151 S155 A156 A157 | R119-V153 HydrophobicContact CB-CG2 3.79Å; A120-V153 HydrophobicContact CB-CG2 4.49Å; I123-V153 HydrophobicContact CD1-CG1 3.65Å; A145-V153 HydrophobicContact CB-CG1 4.02Å; D148-V153 HydrophobicContact CB-CB 4.14Å; D148-V153 HydrophobicContact CB-CG1 3.87Å; V150-V153 HydrophobicContact CB-CB 4.29Å; V150-V153 HydrophobicContact CB-CG2 3.94Å; V150-V153 HydrophobicContact CG1-CG2 3.97Å; V150-V153 PolarHBondContact O-N 3.13Å; P151-V153 VanDerWaalsContact C-N 3.29Å; P151-V153 PolarHBondContact O-N 3.05Å; V153-S155 PolarHBondContact O-N 3.36Å; V153-A156 PolarHBondContact O-N 2.9Å; V153-A157 WeakPolarHBondContact O-CB 3.09Å; V153-A157 PolarHBondContact O-N 3.09Å |
| 154 | A | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A145 I146 V150 A156 A157 L158 I190 | A145-A154 WeakPolarHBondContact O-CA 3.32Å; A145-A154 PolarHBondContact O-N 3.08Å; I146-A154 WeakPolarHBondContact O-CB 3.36Å; V150-A154 PolarHBondContact O-N 2.86Å; A154-A156 PolarHBondContact O-N 3.28Å; A154-A157 PolarHBondContact O-N 3.14Å; A154-L158 WeakPolarHBondContact O-CB 3.46Å; A154-L158 VanDerWaalsContact O-CG 3.28Å; A154-L158 WeakPolarHBondContact O-CG 3.3Å; A154-L158 PolarHBondContact O-N 3.44Å; A154-I190 HydrophobicContact CB-CD1 3.94Å; A154-I190 HydrophobicContact CB-CG1 4.25Å; A154-I190 HydrophobicContact CB-CG2 4.28Å |
| 155 | S | 93.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 175.9 | 179 | 0 | 0 | 0 | 0 | 112.3 | P151 V153 A157 L158 V159 H193 | P151-S155 WeakPolarHBondContact O-CB 3.47Å; P151-S155 PolarHBondContact O-N 2.92Å; V153-S155 PolarHBondContact O-N 3.36Å; S155-A157 VanDerWaalsContact C-N 3.34Å; S155-A157 PolarHBondContact O-N 2.66Å; S155-L158 PolarHBondContact O-N 2.7Å; S155-V159 WeakPolarHBondContact O-CG2 3.23Å; S155-V159 PolarHBondContact O-N 2.97Å; S155-V159 VanDerWaalsContact O-N 3.07Å; S155-H193 PolarHBondContact OG-CE1 3.38Å; S155-H193 PolarHBondContact OG-ND1 3.32Å |
| 156 | A | 93.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A120 I123 R124 A152 V153 A154 S160 | A120-A156 HydrophobicContact CB-CB 3.96Å; I123-A156 HydrophobicContact CG2-CB 4.39Å; R124-A156 HydrophobicContact CG-CB 4.18Å; A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 3.24Å; A152-A156 VanDerWaalsContact O-N 3.07Å; V153-A156 PolarHBondContact O-N 2.9Å; A154-A156 PolarHBondContact O-N 3.28Å; A156-S160 WeakPolarHBondContact O-CB 3.47Å; A156-S160 PolarHBondContact O-N 2.86Å; A156-S160 PolarHBondContact O-OG 3.16Å |
| 157 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I123 M142 A145 I146 V153 A154 S155 S160 S161 | I123-A157 HydrophobicContact CG2-CB 4.44Å; M142-A157 HydrophobicContact CE-CB 4.13Å; A145-A157 HydrophobicContact CB-CB 3.68Å; I146-A157 HydrophobicContact CG1-CB 3.87Å; V153-A157 WeakPolarHBondContact O-CB 3.09Å; V153-A157 PolarHBondContact O-N 3.09Å; A154-A157 PolarHBondContact O-N 3.14Å; S155-A157 VanDerWaalsContact C-N 3.34Å; S155-A157 PolarHBondContact O-N 2.66Å; A157-S160 PolarHBondContact O-N 3.2Å; A157-S161 WeakPolarHBondContact O-CB 3.08Å; A157-S161 PolarHBondContact O-N 3.45Å; A157-S161 PolarHBondContact O-OG 2.88Å |
| 158 | L | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 178.3 | -71.6 | 165.9 | 0 | 0 | 0 | 112.2 | I146 A154 S155 S160 S161 L162 I179 A182 I190 H193 L197 | I146-L158 HydrophobicContact CG1-CD2 4.4Å; I146-L158 HydrophobicContact CG2-CD2 3.92Å; A154-L158 WeakPolarHBondContact O-CB 3.46Å; A154-L158 VanDerWaalsContact O-CG 3.28Å; A154-L158 WeakPolarHBondContact O-CG 3.3Å; A154-L158 PolarHBondContact O-N 3.44Å; S155-L158 PolarHBondContact O-N 2.7Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 2.89Å; L158-S161 WeakPolarHBondContact O-CB 3.47Å; L158-S161 PolarHBondContact O-N 3.26Å; L158-L162 PolarHBondContact O-N 3.16Å; L158-I179 HydrophobicContact CD2-CG1 4.46Å; L158-I179 HydrophobicContact CD2-CG2 4.45Å; L158-A182 HydrophobicContact CD1-CB 4.13Å; L158-A182 HydrophobicContact CD2-CB 4.24Å; L158-I190 HydrophobicContact CD1-CG2 3.82Å; L158-H193 HydrophobicContact CB-CB 3.84Å; L158-H193 HydrophobicContact CD1-CB 3.83Å; L158-H193 HydrophobicContact CG-CB 4.48Å; L158-L197 HydrophobicContact CD2-CD2 3.84Å |
| 159 | V | 94 | Very high | 91.2 | Very high | 50 Ų | 50 | 50 Ų | 50 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | S155 S161 L162 H163 | S155-V159 WeakPolarHBondContact O-CG2 3.23Å; S155-V159 PolarHBondContact O-N 2.97Å; S155-V159 VanDerWaalsContact O-N 3.07Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 3.28Å; V159-L162 WeakPolarHBondContact O-CB 3.34Å; V159-L162 PolarHBondContact O-N 3.47Å; V159-H163 PolarHBondContact O-CD2 3.3Å; V159-H163 VanDerWaalsContact O-CD2 3.23Å; V159-H163 PolarHBondContact O-N 2.97Å |
| 160 | S | 92.6 | Very high | 91 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | C127 A156 A157 L158 L162 H163 L164 | C127-S160 WeakPolarHBondContact SG-CB 3.3Å; A156-S160 WeakPolarHBondContact O-CB 3.47Å; A156-S160 PolarHBondContact O-N 2.86Å; A156-S160 PolarHBondContact O-OG 3.16Å; A157-S160 PolarHBondContact O-N 3.2Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 2.89Å; S160-L162 VanDerWaalsContact C-N 3.28Å; S160-L162 PolarHBondContact O-N 3.36Å; S160-H163 PolarHBondContact O-N 3.5Å; S160-H163 VanDerWaalsContact O-N 3.16Å; S160-L164 WeakPolarHBondContact O-CG 3.46Å; S160-L164 PolarHBondContact O-N 2.81Å |
| 161 | S | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -34 | 173.6 | -56 | 0 | 0 | 0 | 0 | 112 | A157 L158 V159 H163 L164 L165 W175 | A157-S161 WeakPolarHBondContact O-CB 3.08Å; A157-S161 PolarHBondContact O-N 3.45Å; A157-S161 PolarHBondContact O-OG 2.88Å; L158-S161 WeakPolarHBondContact O-CB 3.47Å; L158-S161 PolarHBondContact O-N 3.26Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 3.28Å; S161-H163 VanDerWaalsContact C-N 3.34Å; S161-H163 PolarHBondContact O-N 3.12Å; S161-L164 PolarHBondContact O-N 3.41Å; S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 2.96Å; S161-W175 WeakPolarHBondContact OG-CZ3 3.32Å |
| 162 | L | 92.3 | Very high | 90.6 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 173.3 | -178.2 | 66.2 | 0 | 0 | 0 | 112.1 | L158 V159 S160 L165 V196 L197 E200 | L158-L162 PolarHBondContact O-N 3.16Å; V159-L162 WeakPolarHBondContact O-CB 3.34Å; V159-L162 PolarHBondContact O-N 3.47Å; S160-L162 VanDerWaalsContact C-N 3.28Å; S160-L162 PolarHBondContact O-N 3.36Å; L162-L165 HydrophobicContact CD1-CD2 4.44Å; L162-L165 WeakPolarHBondContact O-CB 3.42Å; L162-V196 HydrophobicContact CD2-CG1 4.09Å; L162-L197 HydrophobicContact CB-CD1 4.15Å; L162-L197 HydrophobicContact CD1-CD1 4.32Å; L162-E200 HydrophobicContact CD1-CB 4.06Å; L162-E200 HydrophobicContact CD1-CG 3.81Å |
| 163 | H | 90 | Very high | 90.4 | Very high | 117 Ų | 117 | 41.3 Ų | 41.3 | 54% | 0.542 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.3 | -37.5 | 173.7 | -65.8 | -56.2 | 0 | 0 | 0 | 112.4 | V159 S160 S161 L165 K166 | V159-H163 PolarHBondContact O-CD2 3.3Å; V159-H163 VanDerWaalsContact O-CD2 3.23Å; V159-H163 PolarHBondContact O-N 2.97Å; S160-H163 PolarHBondContact O-N 3.5Å; S160-H163 VanDerWaalsContact O-N 3.16Å; S161-H163 VanDerWaalsContact C-N 3.34Å; S161-H163 PolarHBondContact O-N 3.12Å; H163-L165 VanDerWaalsContact C-N 3.35Å; H163-K166 PolarHBondContact O-N 3.01Å |
| 164 | L | 90 | Very high | 90.2 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -29.5 | 176.9 | -65.2 | 171.7 | 0 | 0 | 0 | 112.5 | C127 T130 L135 S160 S161 K166 K167 N168 I172 | C127-L164 HydrophobicContact CB-CD1 4.03Å; C127-L164 HydrophobicContact CB-CD2 4.38Å; C127-L164 HydrophobicContact CB-CG 4.24Å; T130-L164 HydrophobicContact CG2-CD2 4.5Å; L135-L164 HydrophobicContact CD1-CD1 3.7Å; L135-L164 HydrophobicContact CD1-CD2 4.48Å; L135-L164 HydrophobicContact CD1-CG 4.49Å; S160-L164 WeakPolarHBondContact O-CG 3.46Å; S160-L164 PolarHBondContact O-N 2.81Å; S161-L164 PolarHBondContact O-N 3.41Å; L164-K166 PolarHBondContact O-N 3.43Å; L164-K167 PolarHBondContact O-N 3.44Å; L164-N168 PolarHBondContact O-N 3.02Å; L164-I172 HydrophobicContact CB-CD1 4.04Å; L164-I172 HydrophobicContact CB-CG1 4.41Å |
| 165 | L | 89.6 | Confident | 90.1 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -35.2 | 175.7 | -172.9 | 73.9 | 0 | 0 | 0 | 111.8 | S161 L162 H163 K167 P169 I172 E200 I201 | S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 2.96Å; L162-L165 HydrophobicContact CD1-CD2 4.44Å; L162-L165 WeakPolarHBondContact O-CB 3.42Å; H163-L165 VanDerWaalsContact C-N 3.35Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 2.73Å; L165-P169 HydrophobicContact CD1-CB 4.29Å; L165-I172 HydrophobicContact CD1-CB 3.82Å; L165-I172 HydrophobicContact CD1-CG1 4.42Å; L165-I172 HydrophobicContact CD1-CG2 3.85Å; L165-E200 HydrophobicContact CD2-CB 3.54Å; L165-I201 HydrophobicContact CD1-CG1 3.86Å; L165-I201 HydrophobicContact CD2-CG1 4.42Å |
| 166 | K | 86.1 | Confident | 89.9 | Confident | 185 Ų | 185 | 48.8 Ų | 48.8 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.1 | 175.3 | -63.2 | -170 | 178.4 | -168.8 | 0 | 113.7 | H163 L164 | H163-K166 PolarHBondContact O-N 3.01Å; L164-K166 PolarHBondContact O-N 3.43Å |
| 167 | K | 84.5 | Confident | 89.8 | Confident | 117 Ų | 117 | 53.4 Ų | 53.4 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -39 | -179 | -64.6 | -171.9 | -177.2 | -176.5 | 0 | 112.7 | T130 L164 L165 | T130-K167 PolarHBondContact O-NZ 3.39Å; L164-K167 PolarHBondContact O-N 3.44Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 2.73Å |
| 168 | N | 84.9 | Confident | 89.8 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | trans | -149 | 86.3 | -176.1 | -170.8 | -27.5 | 0 | 0 | 0 | 109.8 | L135 L164 C171 | L135-N168 HydrophobicContact CD2-CB 3.68Å; L164-N168 PolarHBondContact O-N 3.02Å; N168-C171 PolarHBondContact OD1-N 3.04Å | ||
| 169 | P | 86.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | -174.1 | 24.8 | -32.8 | 0 | 0 | 0 | 112.2 | L165 C171 I172 R173 | L165-P169 HydrophobicContact CD1-CB 4.29Å; P169-C171 PolarHBondContact O-N 3.16Å; P169-I172 PolarHBondContact O-N 2.82Å; P169-I172 VanDerWaalsContact O-N 3.13Å; P169-R173 VanDerWaalsContact O-CG 3.27Å; P169-R173 WeakPolarHBondContact O-CG 3.39Å; P169-R173 PolarHBondContact O-N 3.14Å |
| 170 | D | 85.6 | Confident | 89.6 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | -172.4 | -66.5 | -44.3 | 0 | 0 | 0 | 114 | R173 | D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 IonicContact OD1-CZ 3.33Å; D170-R173 IonicContact OD1-NH1 2.7Å; D170-R173 PolarHBondContact OD1-NH1 2.94Å |
| 171 | C | 87.3 | Confident | 89.5 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | L135 N168 P169 R173 R174 W175 | L135-C171 HydrophobicContact CD2-CB 3.57Å; L135-C171 HydrophobicContact CG-CB 4.27Å; N168-C171 PolarHBondContact OD1-N 3.04Å; P169-C171 PolarHBondContact O-N 3.16Å; C171-R173 VanDerWaalsContact C-N 3.35Å; C171-R173 PolarHBondContact O-N 3.17Å; C171-R174 WeakPolarHBondContact O-CB 3.43Å; C171-R174 PolarHBondContact O-N 2.86Å; C171-W175 PolarHBondContact O-NE1 3.4Å |
| 172 | I | 89.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.1 | -33.6 | -178.3 | -53.8 | -60.2 | 0 | 0 | 0 | 111.5 | L135 L164 L165 P169 R174 W175 L197 I201 | L135-I172 HydrophobicContact CD2-CD1 4.49Å; L164-I172 HydrophobicContact CB-CD1 4.04Å; L164-I172 HydrophobicContact CB-CG1 4.41Å; L165-I172 HydrophobicContact CD1-CB 3.82Å; L165-I172 HydrophobicContact CD1-CG1 4.42Å; L165-I172 HydrophobicContact CD1-CG2 3.85Å; P169-I172 PolarHBondContact O-N 2.82Å; P169-I172 VanDerWaalsContact O-N 3.13Å; I172-R174 PolarHBondContact O-N 2.83Å; I172-R174 VanDerWaalsContact O-N 3.15Å; I172-W175 HydrophobicContact CD1-CD2 4.14Å; I172-W175 HydrophobicContact CD1-CE3 3.62Å; I172-W175 HydrophobicContact CD1-CH2 3.36Å; I172-W175 HydrophobicContact CD1-CZ2 3.87Å; I172-W175 HydrophobicContact CD1-CZ3 3.22Å; I172-W175 HydrophobicContact CG2-CE3 4.44Å; I172-W175 WeakPolarHBondContact O-CB 3.28Å; I172-W175 PolarHBondContact O-N 2.72Å; I172-L197 HydrophobicContact CG2-CD1 4.26Å; I172-I201 HydrophobicContact CG2-CD1 3.93Å; I172-I201 HydrophobicContact CG2-CG1 4.24Å |
| 173 | R | 88.7 | Confident | 89.3 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.4 | -30.1 | 175.4 | -57.3 | -160.5 | -179.7 | 102.7 | -5.6 | 112.3 | P169 D170 C171 W175 A176 I201 | P169-R173 VanDerWaalsContact O-CG 3.27Å; P169-R173 WeakPolarHBondContact O-CG 3.39Å; P169-R173 PolarHBondContact O-N 3.14Å; D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 IonicContact OD1-CZ 3.33Å; D170-R173 IonicContact OD1-NH1 2.7Å; D170-R173 PolarHBondContact OD1-NH1 2.94Å; C171-R173 VanDerWaalsContact C-N 3.35Å; C171-R173 PolarHBondContact O-N 3.17Å; R173-W175 PolarHBondContact O-N 3.22Å; R173-A176 WeakPolarHBondContact O-CB 3.27Å; R173-A176 PolarHBondContact O-N 3.09Å; R173-I201 HydrophobicContact CB-CG2 4.23Å; R173-I201 HydrophobicContact CG-CG2 4.04Å |
| 174 | R | 88.4 | Confident | 89.3 | Confident | 169 Ų | 169 | 58 Ų | 58 | 64% | 0.638 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.9 | 177.7 | -59.7 | 176 | -175.2 | 178.2 | 0.1 | 113.5 | C171 I172 A176 | C171-R174 WeakPolarHBondContact O-CB 3.43Å; C171-R174 PolarHBondContact O-N 2.86Å; I172-R174 PolarHBondContact O-N 2.83Å; I172-R174 VanDerWaalsContact O-N 3.15Å; R174-A176 VanDerWaalsContact C-N 3.26Å; R174-A176 PolarHBondContact O-N 2.9Å |
| 175 | W | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.2 | -178.3 | -51.2 | -4.3 | 0 | 0 | 0 | 112.1 | L135 E139 M142 K143 I146 S161 C171 I172 R173 N177 E178 I179 | L135-W175 HydrophobicContact CD1-CH2 4.09Å; L135-W175 HydrophobicContact CD1-CZ2 4.4Å; E139-W175 HydrophobicContact CB-CZ2 4.07Å; E139-W175 HydrophobicContact CG-CZ2 3.97Å; E139-W175 PolarHBondContact OE1-NE1 3.18Å; E139-W175 VanDerWaalsContact OE1-NE1 3.14Å; M142-W175 HydrophobicContact CB-CE3 4.5Å; M142-W175 HydrophobicContact CB-CH2 3.64Å; M142-W175 HydrophobicContact CB-CZ2 4.34Å; M142-W175 HydrophobicContact CB-CZ3 3.73Å; M142-W175 HydrophobicContact CE-CZ3 4.48Å; M142-W175 HydrophobicContact CG-CH2 4.01Å; M142-W175 HydrophobicContact CG-CZ3 4.32Å; K143-W175 HydrophobicContact CG-CD2 4.46Å; K143-W175 HydrophobicContact CG-CG 4.17Å; I146-W175 HydrophobicContact CD1-CE3 3.82Å; I146-W175 HydrophobicContact CD1-CZ3 4.45Å; S161-W175 WeakPolarHBondContact OG-CZ3 3.32Å; C171-W175 PolarHBondContact O-NE1 3.4Å; I172-W175 HydrophobicContact CD1-CD2 4.14Å; I172-W175 HydrophobicContact CD1-CE3 3.62Å; I172-W175 HydrophobicContact CD1-CH2 3.36Å; I172-W175 HydrophobicContact CD1-CZ2 3.87Å; I172-W175 HydrophobicContact CD1-CZ3 3.22Å; I172-W175 HydrophobicContact CG2-CE3 4.44Å; I172-W175 WeakPolarHBondContact O-CB 3.28Å; I172-W175 PolarHBondContact O-N 2.72Å; R173-W175 PolarHBondContact O-N 3.22Å; W175-N177 PolarHBondContact O-N 3.06Å; W175-N177 VanDerWaalsContact O-N 3.1Å; W175-E178 VanDerWaalsContact C-OE2 3.31Å; W175-E178 WeakPolarHBondContact CA-OE2 3.38Å; W175-E178 PolarHBondContact O-N 3.06Å; W175-I179 HydrophobicContact CB-CD1 4.05Å; W175-I179 HydrophobicContact CB-CG1 4.44Å; W175-I179 WeakPolarHBondContact O-CD1 3.49Å; W175-I179 VanDerWaalsContact O-CG1 3.23Å; W175-I179 WeakPolarHBondContact O-CG1 3.37Å; W175-I179 PolarHBondContact O-N 3.16Å |
| 176 | A | 90.3 | Very high | 89.1 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -26 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R173 R174 R180 F198 | R173-A176 WeakPolarHBondContact O-CB 3.27Å; R173-A176 PolarHBondContact O-N 3.09Å; R174-A176 VanDerWaalsContact C-N 3.26Å; R174-A176 PolarHBondContact O-N 2.9Å; A176-R180 VanDerWaalsContact O-CB 3.23Å; A176-R180 WeakPolarHBondContact O-CB 3.2Å; A176-R180 PolarHBondContact O-N 3.43Å; A176-R180 VanDerWaalsContact O-N 3.13Å; A176-F198 HydrophobicContact CB-CE2 4.12Å |
| 177 | N | 92 | Very high | 89.3 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.8 | -46.6 | 179.3 | -71.1 | -30.4 | 0 | 0 | 0 | 111.4 | W175 R180 E181 | W175-N177 PolarHBondContact O-N 3.06Å; W175-N177 VanDerWaalsContact O-N 3.1Å; N177-R180 WeakPolarHBondContact O-CB 3.37Å; N177-R180 PolarHBondContact O-N 3.44Å; N177-R180 PolarHBondContact OD1-NH1 3.02Å; N177-E181 PolarHBondContact O-N 2.91Å |
| 178 | E | 93.7 | Very high | 89.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.9 | -63.8 | 83.6 | 170.7 | 0 | 0 | 110.9 | K143 I146 V147 W175 R180 E181 A182 | K143-E178 HydrophobicContact CB-CG 4.07Å; K143-E178 WeakPolarHBondContact CD-OE1 3.47Å; K143-E178 HydrophobicContact CG-CG 4.15Å; I146-E178 HydrophobicContact CG2-CB 4.08Å; V147-E178 HydrophobicContact CG1-CB 4Å; V147-E178 HydrophobicContact CG1-CG 4.43Å; W175-E178 VanDerWaalsContact C-OE2 3.31Å; W175-E178 WeakPolarHBondContact CA-OE2 3.38Å; W175-E178 PolarHBondContact O-N 3.06Å; E178-R180 VanDerWaalsContact C-N 3.32Å; E178-R180 PolarHBondContact O-N 3.39Å; E178-E181 WeakPolarHBondContact O-CB 3.17Å; E178-E181 PolarHBondContact O-N 3.04Å; E178-A182 PolarHBondContact O-N 2.8Å |
| 179 | I | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 175.5 | -62 | 164.1 | 0 | 0 | 0 | 110.3 | I146 L158 W175 E181 A182 I183 G194 L197 F198 I201 | I146-I179 HydrophobicContact CD1-CG1 4.32Å; I146-I179 HydrophobicContact CG2-CG1 4.47Å; L158-I179 HydrophobicContact CD2-CG1 4.46Å; L158-I179 HydrophobicContact CD2-CG2 4.45Å; W175-I179 HydrophobicContact CB-CD1 4.05Å; W175-I179 HydrophobicContact CB-CG1 4.44Å; W175-I179 WeakPolarHBondContact O-CD1 3.49Å; W175-I179 VanDerWaalsContact O-CG1 3.23Å; W175-I179 WeakPolarHBondContact O-CG1 3.37Å; W175-I179 PolarHBondContact O-N 3.16Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.11Å; I179-A182 WeakPolarHBondContact O-CB 3.38Å; I179-A182 PolarHBondContact O-N 3.46Å; I179-A182 VanDerWaalsContact O-N 3.17Å; I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 2.91Å; I179-G194 WeakPolarHBondContact CG2-O 3.38Å; I179-L197 HydrophobicContact CD1-CD2 3.52Å; I179-L197 HydrophobicContact CD1-CG 3.87Å; I179-L197 HydrophobicContact CG1-CD2 3.8Å; I179-L197 HydrophobicContact CG1-CG 4.49Å; I179-L197 HydrophobicContact CG2-CB 4.44Å; I179-L197 HydrophobicContact CG2-CD2 4.32Å; I179-L197 HydrophobicContact CG2-CG 4.43Å; I179-F198 HydrophobicContact CG2-CB 3.8Å; I179-F198 HydrophobicContact CG2-CD2 4.08Å; I179-F198 HydrophobicContact CG2-CG 4.33Å; I179-I201 HydrophobicContact CD1-CD1 3.36Å |
| 180 | R | 91.2 | Very high | 90.1 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 31% | 0.306 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 175.9 | -173.2 | -170 | -57.5 | 130.3 | 7.5 | 112.1 | A176 N177 E178 I183 N184 | A176-R180 VanDerWaalsContact O-CB 3.23Å; A176-R180 WeakPolarHBondContact O-CB 3.2Å; A176-R180 PolarHBondContact O-N 3.43Å; A176-R180 VanDerWaalsContact O-N 3.13Å; N177-R180 WeakPolarHBondContact O-CB 3.37Å; N177-R180 PolarHBondContact O-N 3.44Å; N177-R180 PolarHBondContact OD1-NH1 3.02Å; E178-R180 VanDerWaalsContact C-N 3.32Å; E178-R180 PolarHBondContact O-N 3.39Å; R180-I183 PolarHBondContact O-N 2.79Å; R180-N184 PolarHBondContact O-ND2 2.92Å |
| 181 | E | 91.7 | Very high | 90.4 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 172.8 | -173 | 175.9 | 168.6 | 0 | 0 | 111 | V147 N177 E178 I179 I183 N184 S185 | V147-E181 HydrophobicContact CG1-CB 4.06Å; V147-E181 HydrophobicContact CG1-CG 4.15Å; N177-E181 PolarHBondContact O-N 2.91Å; E178-E181 WeakPolarHBondContact O-CB 3.17Å; E178-E181 PolarHBondContact O-N 3.04Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.11Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 2.88Å; E181-N184 PolarHBondContact O-N 2.7Å; E181-S185 PolarHBondContact O-N 3.17Å |
| 182 | A | 91 | Very high | 90.6 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I146 L158 E178 I179 N184 S185 I190 | I146-A182 HydrophobicContact CG2-CB 3.95Å; L158-A182 HydrophobicContact CD1-CB 4.13Å; L158-A182 HydrophobicContact CD2-CB 4.24Å; E178-A182 PolarHBondContact O-N 2.8Å; I179-A182 WeakPolarHBondContact O-CB 3.38Å; I179-A182 PolarHBondContact O-N 3.46Å; I179-A182 VanDerWaalsContact O-N 3.17Å; A182-N184 PolarHBondContact O-N 3.03Å; A182-S185 WeakPolarHBondContact O-CB 3.44Å; A182-S185 PolarHBondContact O-N 3.03Å; A182-S185 VanDerWaalsContact O-N 3.09Å; A182-I190 HydrophobicContact CB-CG2 3.93Å; A182-I190 WeakPolarHBondContact O-CG2 2.86Å |
| 183 | I | 90 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -31.5 | 175.6 | -59.8 | 165.4 | 0 | 0 | 0 | 112 | I179 R180 E181 S185 Q191 G194 F198 Y216 | I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 2.91Å; R180-I183 PolarHBondContact O-N 2.79Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 2.88Å; I183-S185 PolarHBondContact O-N 2.88Å; I183-Q191 HydrophobicContact CG2-CG 4.4Å; I183-Q191 WeakPolarHBondContact O-CG 3.03Å; I183-Q191 PolarHBondContact O-NE2 2.79Å; I183-Q191 VanDerWaalsContact O-NE2 3.12Å; I183-G194 VanDerWaalsContact CG1-C 3.43Å; I183-F198 HydrophobicContact CD1-CB 3.67Å; I183-F198 HydrophobicContact CD1-CD1 3.7Å; I183-F198 HydrophobicContact CD1-CG 3.78Å; I183-Y216 HydrophobicContact CB-CE1 4.45Å; I183-Y216 HydrophobicContact CD1-CE2 4.31Å; I183-Y216 HydrophobicContact CG2-CD1 4.24Å; I183-Y216 HydrophobicContact CG2-CE1 3.42Å; I183-Y216 VanDerWaalsContact CG2-CE1 3.42Å; I183-Y216 HydrophobicContact CG2-CE2 4.09Å; I183-Y216 VanDerWaalsContact CG2-OH 3.3Å; I183-Y216 WeakPolarHBondContact CG2-OH 3.49Å |
| 184 | N | 89.2 | Confident | 90.9 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 4.6 | 177.7 | -63.7 | -43.7 | 0 | 0 | 0 | 113.1 | R180 E181 A182 Q219 | R180-N184 PolarHBondContact O-ND2 2.92Å; E181-N184 PolarHBondContact O-N 2.7Å; A182-N184 PolarHBondContact O-N 3.03Å; N184-Q219 PolarHBondContact OD1-NE2 3.03Å |
| 185 | S | 88.1 | Confident | 91.1 | Very high | 37 Ų | 37 | 45 Ų | 45 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | trans | -61.4 | 151.6 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | E181 A182 I183 N187 | E181-S185 PolarHBondContact O-N 3.17Å; A182-S185 WeakPolarHBondContact O-CB 3.44Å; A182-S185 PolarHBondContact O-N 3.03Å; A182-S185 VanDerWaalsContact O-N 3.09Å; I183-S185 PolarHBondContact O-N 2.88Å; S185-N187 PolarHBondContact O-N 3.47Å | ||
| 186 | E | 87.5 | Confident | 91 | Very high | 155 Ų | 155 | 45.8 Ų | 45.8 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -70.6 | -21 | 177 | -57.1 | -170.7 | 153.3 | 0 | 0 | 113.1 | ||
| 187 | N | 90.7 | Very high | 91.1 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -82.1 | 124.2 | -176.9 | -169.7 | -65.7 | 0 | 0 | 0 | 111.7 | P151 S185 M189 I190 Q191 | P151-N187 WeakPolarHBondContact CB-ND2 3.33Å; P151-N187 WeakPolarHBondContact CG-ND2 3.48Å; S185-N187 PolarHBondContact O-N 3.47Å; N187-M189 VanDerWaalsContact C-N 3.27Å; N187-M189 PolarHBondContact O-N 2.89Å; N187-M189 WeakPolarHBondContact OD1-CB 2.89Å; N187-M189 PolarHBondContact OD1-N 3.2Å; N187-I190 HydrophobicContact CB-CB 4.24Å; N187-I190 HydrophobicContact CB-CD1 3.63Å; N187-I190 HydrophobicContact CB-CG1 3.81Å; N187-I190 PolarHBondContact O-N 3.02Å; N187-Q191 PolarHBondContact O-N 2.93Å; N187-Q191 VanDerWaalsContact O-N 3.09Å |
| 188 | P | 90.2 | Very high | 91.1 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57 | -33.3 | -178.6 | -28 | 35.5 | 0 | 0 | 0 | 115.4 | Y192 S223 | P188-Y192 PolarHBondContact O-N 3.35Å; P188-Y192 VanDerWaalsContact O-N 3.13Å; P188-S223 WeakPolarHBondContact O-CB 3.1Å; P188-S223 PolarHBondContact O-OG 2.84Å |
| 189 | M | 90.5 | Very high | 90.8 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77.6 | -37.8 | -178.6 | -72.9 | -66.6 | 177.1 | 0 | 0 | 112.1 | N187 Q191 Y192 H193 L225 | N187-M189 VanDerWaalsContact C-N 3.27Å; N187-M189 PolarHBondContact O-N 2.89Å; N187-M189 WeakPolarHBondContact OD1-CB 2.89Å; N187-M189 PolarHBondContact OD1-N 3.2Å; M189-Q191 VanDerWaalsContact C-N 3.33Å; M189-Y192 PolarHBondContact O-N 3.27Å; M189-H193 PolarHBondContact O-N 2.79Å; M189-L225 HydrophobicContact CE-CD1 3.82Å; M189-L225 HydrophobicContact SD-CD1 4.12Å |
| 190 | I | 92.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.3 | -55.5 | 174.9 | 0 | 0 | 0 | 109.3 | P151 A154 L158 A182 N187 Y192 H193 G194 | P151-I190 HydrophobicContact CB-CD1 3.94Å; P151-I190 HydrophobicContact CB-CG1 4.35Å; P151-I190 HydrophobicContact CG-CD1 4.4Å; A154-I190 HydrophobicContact CB-CD1 3.94Å; A154-I190 HydrophobicContact CB-CG1 4.25Å; A154-I190 HydrophobicContact CB-CG2 4.28Å; L158-I190 HydrophobicContact CD1-CG2 3.82Å; A182-I190 HydrophobicContact CB-CG2 3.93Å; A182-I190 WeakPolarHBondContact O-CG2 2.86Å; N187-I190 HydrophobicContact CB-CB 4.24Å; N187-I190 HydrophobicContact CB-CD1 3.63Å; N187-I190 HydrophobicContact CB-CG1 3.81Å; N187-I190 PolarHBondContact O-N 3.02Å; I190-Y192 VanDerWaalsContact C-N 3.31Å; I190-Y192 PolarHBondContact O-N 3.18Å; I190-H193 PolarHBondContact O-N 3.44Å; I190-G194 PolarHBondContact O-N 3.46Å |
| 191 | Q | 90.8 | Very high | 90.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -44.2 | 174.7 | 176 | 168.5 | 83.7 | 0 | 0 | 112 | I183 N187 M189 L195 L221 S223 A226 | I183-Q191 HydrophobicContact CG2-CG 4.4Å; I183-Q191 WeakPolarHBondContact O-CG 3.03Å; I183-Q191 PolarHBondContact O-NE2 2.79Å; I183-Q191 VanDerWaalsContact O-NE2 3.12Å; N187-Q191 PolarHBondContact O-N 2.93Å; N187-Q191 VanDerWaalsContact O-N 3.09Å; M189-Q191 VanDerWaalsContact C-N 3.33Å; Q191-L195 WeakPolarHBondContact O-CB 3.46Å; Q191-L195 PolarHBondContact O-N 2.71Å; Q191-L221 HydrophobicContact CG-CD2 4.07Å; Q191-S223 VanDerWaalsContact OE1-N 3.15Å; Q191-A226 HydrophobicContact CG-CB 4.06Å |
| 192 | Y | 91.9 | Very high | 90.3 | Very high | 65 Ų | 65 | 37 Ų | 37 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.2 | -54 | 176.6 | 169.4 | -116.6 | 0 | 0 | 0 | 112.4 | P188 M189 I190 G194 L195 V196 L225 Y229 | P188-Y192 PolarHBondContact O-N 3.35Å; P188-Y192 VanDerWaalsContact O-N 3.13Å; M189-Y192 PolarHBondContact O-N 3.27Å; I190-Y192 VanDerWaalsContact C-N 3.31Å; I190-Y192 PolarHBondContact O-N 3.18Å; Y192-G194 VanDerWaalsContact C-N 3.29Å; Y192-G194 PolarHBondContact O-N 2.78Å; Y192-L195 PolarHBondContact O-N 3.07Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; Y192-V196 HydrophobicContact CD2-CG2 4.01Å; Y192-V196 HydrophobicContact CE1-CG2 4.49Å; Y192-V196 HydrophobicContact CE2-CG2 3.56Å; Y192-V196 WeakPolarHBondContact O-CG2 3.42Å; Y192-V196 PolarHBondContact O-N 2.78Å; Y192-L225 HydrophobicContact CD1-CB 4.46Å; Y192-L225 HydrophobicContact CD2-CB 3.9Å; Y192-L225 HydrophobicContact CE2-CB 4.31Å; Y192-L225 HydrophobicContact CG-CB 3.98Å; Y192-Y229 HydrophobicContact CE2-CD2 4.32Å; Y192-Y229 HydrophobicContact CE2-CG 4.13Å |
| 193 | H | 93.3 | Very high | 89.9 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.181 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | -179.7 | -64.8 | 164.6 | 0 | 0 | 0 | 112.6 | S155 L158 M189 I190 L197 | S155-H193 PolarHBondContact OG-CE1 3.38Å; S155-H193 PolarHBondContact OG-ND1 3.32Å; L158-H193 HydrophobicContact CB-CB 3.84Å; L158-H193 HydrophobicContact CD1-CB 3.83Å; L158-H193 HydrophobicContact CG-CB 4.48Å; M189-H193 PolarHBondContact O-N 2.79Å; I190-H193 PolarHBondContact O-N 3.44Å; H193-L197 WeakPolarHBondContact O-CB 3.36Å; H193-L197 PolarHBondContact O-N 2.88Å |
| 194 | G | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I179 I183 I190 Y192 L197 F198 | I179-G194 WeakPolarHBondContact CG2-O 3.38Å; I183-G194 VanDerWaalsContact CG1-C 3.43Å; I190-G194 PolarHBondContact O-N 3.46Å; Y192-G194 VanDerWaalsContact C-N 3.29Å; Y192-G194 PolarHBondContact O-N 2.78Å; G194-L197 PolarHBondContact O-N 2.83Å; G194-F198 WeakPolarHBondContact O-CB 3.47Å; G194-F198 PolarHBondContact O-N 3.43Å |
| 195 | L | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.8 | -176.3 | 67.1 | 0 | 0 | 0 | 111.5 | Q191 Y192 F198 Y199 L212 Y216 L221 A226 Y229 L230 I233 | Q191-L195 WeakPolarHBondContact O-CB 3.46Å; Q191-L195 PolarHBondContact O-N 2.71Å; Y192-L195 PolarHBondContact O-N 3.07Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; L195-F198 PolarHBondContact O-N 2.8Å; L195-Y199 WeakPolarHBondContact O-CB 3.39Å; L195-Y199 PolarHBondContact O-N 3.21Å; L195-L212 HydrophobicContact CD1-CD2 3.81Å; L195-Y216 HydrophobicContact CD1-CD2 4.2Å; L195-Y216 HydrophobicContact CD1-CE2 4.45Å; L195-L221 HydrophobicContact CD2-CD1 4.01Å; L195-A226 HydrophobicContact CD2-CB 4.15Å; L195-A226 WeakPolarHBondContact CD2-O 3.4Å; L195-Y229 HydrophobicContact CD2-CD1 4.3Å; L195-Y229 HydrophobicContact CG-CD1 4.31Å; L195-L230 HydrophobicContact CD2-CB 4.16Å; L195-I233 HydrophobicContact CD1-CD1 4.43Å; L195-I233 HydrophobicContact CD2-CD1 4.37Å; L195-I233 HydrophobicContact CG-CD1 4.14Å |
| 196 | V | 91.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -52.2 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L162 Y192 F198 Y199 E200 Y229 | L162-V196 HydrophobicContact CD2-CG1 4.09Å; Y192-V196 HydrophobicContact CD2-CG2 4.01Å; Y192-V196 HydrophobicContact CE1-CG2 4.49Å; Y192-V196 HydrophobicContact CE2-CG2 3.56Å; Y192-V196 WeakPolarHBondContact O-CG2 3.42Å; Y192-V196 PolarHBondContact O-N 2.78Å; V196-F198 VanDerWaalsContact C-N 3.35Å; V196-F198 PolarHBondContact O-N 3.47Å; V196-Y199 PolarHBondContact O-N 3.5Å; V196-E200 WeakPolarHBondContact O-CG 3.31Å; V196-E200 PolarHBondContact O-N 3.42Å; V196-Y229 HydrophobicContact CB-CE1 4.06Å; V196-Y229 HydrophobicContact CG1-CE1 4.44Å; V196-Y229 HydrophobicContact CG2-CD1 3.74Å; V196-Y229 HydrophobicContact CG2-CD2 4.19Å; V196-Y229 HydrophobicContact CG2-CE1 3.64Å; V196-Y229 HydrophobicContact CG2-CE2 4.09Å; V196-Y229 HydrophobicContact CG2-CG 4.02Å |
| 197 | L | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | -179.6 | -179 | 61.7 | 0 | 0 | 0 | 112 | L158 L162 I172 I179 H193 G194 Y199 E200 I201 | L158-L197 HydrophobicContact CD2-CD2 3.84Å; L162-L197 HydrophobicContact CB-CD1 4.15Å; L162-L197 HydrophobicContact CD1-CD1 4.32Å; I172-L197 HydrophobicContact CG2-CD1 4.26Å; I179-L197 HydrophobicContact CD1-CD2 3.52Å; I179-L197 HydrophobicContact CD1-CG 3.87Å; I179-L197 HydrophobicContact CG1-CD2 3.8Å; I179-L197 HydrophobicContact CG1-CG 4.49Å; I179-L197 HydrophobicContact CG2-CB 4.44Å; I179-L197 HydrophobicContact CG2-CD2 4.32Å; I179-L197 HydrophobicContact CG2-CG 4.43Å; H193-L197 WeakPolarHBondContact O-CB 3.36Å; H193-L197 PolarHBondContact O-N 2.88Å; G194-L197 PolarHBondContact O-N 2.83Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-Y199 PolarHBondContact O-N 2.77Å; L197-E200 PolarHBondContact O-N 3.5Å; L197-I201 HydrophobicContact CD1-CD1 4.33Å; L197-I201 HydrophobicContact CG-CD1 4.08Å; L197-I201 WeakPolarHBondContact O-CD1 3.49Å; L197-I201 VanDerWaalsContact O-CG1 3.27Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 2.85Å |
| 198 | F | 91 | Very high | 87.7 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -34.1 | -179 | -164.2 | -123.3 | 0 | 0 | 0 | 112.8 | A176 I179 I183 G194 L195 V196 R202 L212 | A176-F198 HydrophobicContact CB-CE2 4.12Å; I179-F198 HydrophobicContact CG2-CB 3.8Å; I179-F198 HydrophobicContact CG2-CD2 4.08Å; I179-F198 HydrophobicContact CG2-CG 4.33Å; I183-F198 HydrophobicContact CD1-CB 3.67Å; I183-F198 HydrophobicContact CD1-CD1 3.7Å; I183-F198 HydrophobicContact CD1-CG 3.78Å; G194-F198 WeakPolarHBondContact O-CB 3.47Å; G194-F198 PolarHBondContact O-N 3.43Å; L195-F198 PolarHBondContact O-N 2.8Å; V196-F198 VanDerWaalsContact C-N 3.35Å; V196-F198 PolarHBondContact O-N 3.47Å; F198-R202 WeakPolarHBondContact O-CG 3.3Å; F198-R202 PolarHBondContact O-N 3.48Å; F198-L212 HydrophobicContact CD1-CD1 3.24Å; F198-L212 HydrophobicContact CD1-CG 3.92Å; F198-L212 HydrophobicContact CE1-CD1 3.65Å; F198-L212 HydrophobicContact CE1-CG 4.08Å; F198-L212 HydrophobicContact CG-CD1 4.2Å |
| 199 | Y | 89.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 14% | 0.137 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -50.2 | 170.4 | 170.9 | -107.5 | 0 | 0 | 0 | 111.5 | L195 V196 L197 I201 R202 K203 V209 Y229 I233 | L195-Y199 WeakPolarHBondContact O-CB 3.39Å; L195-Y199 PolarHBondContact O-N 3.21Å; V196-Y199 PolarHBondContact O-N 3.5Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-Y199 PolarHBondContact O-N 2.77Å; Y199-I201 PolarHBondContact O-N 3.04Å; Y199-R202 CarbonylContact O-C 3.54Å; Y199-R202 WeakPolarHBondContact O-CA 3.19Å; Y199-R202 PolarHBondContact O-N 3.27Å; Y199-K203 HydrophobicContact CE1-CB 4.37Å; Y199-K203 HydrophobicContact CE2-CB 4.32Å; Y199-K203 PolarHBondContact O-N 3.49Å; Y199-V209 HydrophobicContact CD2-CG1 3.84Å; Y199-V209 HydrophobicContact CD2-CG2 4.31Å; Y199-V209 HydrophobicContact CE2-CG1 3.76Å; Y199-V209 HydrophobicContact CE2-CG2 4.29Å; Y199-Y229 HydrophobicContact CD1-CE1 4.12Å; Y199-Y229 WeakPolarHBondContact CD1-OH 3.37Å; Y199-Y229 HydrophobicContact CG-CE1 4.4Å; Y199-I233 HydrophobicContact CD1-CD1 4.49Å; Y199-I233 HydrophobicContact CD1-CG1 4.02Å; Y199-I233 HydrophobicContact CD2-CB 4.15Å; Y199-I233 HydrophobicContact CD2-CD1 4.02Å; Y199-I233 HydrophobicContact CD2-CG1 3.64Å; Y199-I233 HydrophobicContact CD2-CG2 3.47Å; Y199-I233 VanDerWaalsContact CD2-CG2 3.47Å; Y199-I233 HydrophobicContact CE1-CG1 4.31Å; Y199-I233 HydrophobicContact CE2-CB 4.18Å; Y199-I233 HydrophobicContact CE2-CG1 3.97Å; Y199-I233 HydrophobicContact CE2-CG2 3.53Å; Y199-I233 HydrophobicContact CG-CD1 3.83Å; Y199-I233 HydrophobicContact CG-CG1 3.66Å; Y199-I233 HydrophobicContact CG-CG2 4.35Å |
| 200 | E | 89.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -32.7 | -178.8 | -75.6 | -71.6 | 158.7 | 0 | 0 | 113.1 | L162 L165 V196 L197 R202 K203 | L162-E200 HydrophobicContact CD1-CB 4.06Å; L162-E200 HydrophobicContact CD1-CG 3.81Å; L165-E200 HydrophobicContact CD2-CB 3.54Å; V196-E200 WeakPolarHBondContact O-CG 3.31Å; V196-E200 PolarHBondContact O-N 3.42Å; L197-E200 PolarHBondContact O-N 3.5Å; E200-R202 VanDerWaalsContact C-N 3.29Å; E200-R202 PolarHBondContact O-N 3.16Å; E200-K203 WeakPolarHBondContact OE2-CD 3.43Å; E200-K203 IonicContact OE2-NZ 3.78Å; E200-K203 PolarHBondContact OE2-NZ 2.95Å |
| 201 | I | 89.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 172.1 | -72.5 | 165.8 | 0 | 0 | 0 | 112 | L165 I172 R173 I179 L197 Y199 | L165-I201 HydrophobicContact CD1-CG1 3.86Å; L165-I201 HydrophobicContact CD2-CG1 4.42Å; I172-I201 HydrophobicContact CG2-CD1 3.93Å; I172-I201 HydrophobicContact CG2-CG1 4.24Å; R173-I201 HydrophobicContact CB-CG2 4.23Å; R173-I201 HydrophobicContact CG-CG2 4.04Å; I179-I201 HydrophobicContact CD1-CD1 3.36Å; L197-I201 HydrophobicContact CD1-CD1 4.33Å; L197-I201 HydrophobicContact CG-CD1 4.08Å; L197-I201 WeakPolarHBondContact O-CD1 3.49Å; L197-I201 VanDerWaalsContact O-CG1 3.27Å; L197-I201 WeakPolarHBondContact O-CG1 3.42Å; L197-I201 PolarHBondContact O-N 2.85Å; Y199-I201 PolarHBondContact O-N 3.04Å |
| 202 | R | 85.6 | Confident | 85.9 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 24% | 0.242 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -106.9 | -3.3 | -170.4 | -70.1 | -179.7 | 171.8 | -131.9 | -8.8 | 114.3 | F198 Y199 E200 H204 D205 A208 V209 | F198-R202 WeakPolarHBondContact O-CG 3.3Å; F198-R202 PolarHBondContact O-N 3.48Å; Y199-R202 CarbonylContact O-C 3.54Å; Y199-R202 WeakPolarHBondContact O-CA 3.19Å; Y199-R202 PolarHBondContact O-N 3.27Å; E200-R202 VanDerWaalsContact C-N 3.29Å; E200-R202 PolarHBondContact O-N 3.16Å; R202-H204 PolarHBondContact O-N 3.44Å; R202-D205 CarbonylContact O-C 3.47Å; R202-D205 WeakPolarHBondContact O-CA 3.37Å; R202-D205 PolarHBondContact O-N 2.63Å; R202-A208 HydrophobicContact CB-CB 4.37Å; R202-A208 HydrophobicContact CG-CB 4.26Å; R202-V209 HydrophobicContact CB-CG2 4.02Å; R202-V209 WeakPolarHBondContact O-CG2 3.42Å |
| 203 | K | 83.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 45 Ų | 45 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -26.7 | -170.8 | 69.1 | -176.3 | 175.5 | -170.1 | 0 | 114.5 | Y199 E200 | Y199-K203 HydrophobicContact CE1-CB 4.37Å; Y199-K203 HydrophobicContact CE2-CB 4.32Å; Y199-K203 PolarHBondContact O-N 3.49Å; E200-K203 WeakPolarHBondContact OE2-CD 3.43Å; E200-K203 IonicContact OE2-NZ 3.78Å; E200-K203 PolarHBondContact OE2-NZ 2.95Å |
| 204 | H | 80.5 | Confident | 84.9 | Confident | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.565 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -20.5 | 176.9 | -55.7 | -83.3 | 0 | 0 | 0 | 113.3 | R202 D647 | R202-H204 PolarHBondContact O-N 3.44Å; H204-D647 IonicContact ND1-OD2 3.61Å |
| 205 | D | 82.1 | Confident | 84.6 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | trans | -98.5 | 92.7 | 175.7 | 178.8 | -12.3 | 0 | 0 | 0 | 110.2 | R202 L207 A208 V209 | R202-D205 CarbonylContact O-C 3.47Å; R202-D205 WeakPolarHBondContact O-CA 3.37Å; R202-D205 PolarHBondContact O-N 2.63Å; D205-L207 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.28Å; D205-L207 PolarHBondContact OD1-N 3.39Å; D205-L207 VanDerWaalsContact OD1-N 3.14Å; D205-A208 HydrophobicContact CB-CB 3.84Å; D205-A208 PolarHBondContact O-N 3.31Å; D205-A208 VanDerWaalsContact O-N 3.12Å; D205-A208 PolarHBondContact OD1-N 2.81Å; D205-A208 WeakPolarHBondContact OD2-CB 3.26Å; D205-V209 WeakPolarHBondContact O-CG2 3.45Å; D205-V209 PolarHBondContact O-N 2.98Å | ||
| 206 | R | 74.7 | Confident | 84.3 | Confident | 97 Ų | 97 | 49 Ų | 49 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.9 | -41.4 | -178.2 | 179.7 | 173.4 | 161.2 | -170.5 | -16.3 | 113.3 | V209 M210 L237 L240 V241 | R206-V209 PolarHBondContact O-N 3.39Å; R206-M210 WeakPolarHBondContact O-CB 3.33Å; R206-M210 PolarHBondContact O-N 3.35Å; R206-L237 HydrophobicContact CG-CD2 4.02Å; R206-L240 PolarHBondContact NH1-O 2.82Å; R206-L240 VanDerWaalsContact NH1-O 3.12Å; R206-V241 VanDerWaalsContact CZ-CG2 3.42Å; R206-V241 VanDerWaalsContact NH2-CG1 3.33Å |
| 207 | L | 79.1 | Confident | 83.9 | Confident | 110 Ų | 110 | 49 Ų | 49 | 58% | 0.576 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.5 | -39.9 | 179.9 | -69.5 | 174.9 | 0 | 0 | 0 | 111 | D205 M210 K211 | D205-L207 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.28Å; D205-L207 PolarHBondContact OD1-N 3.39Å; D205-L207 VanDerWaalsContact OD1-N 3.14Å; L207-M210 HydrophobicContact CD2-CE 4.15Å; L207-M210 PolarHBondContact O-N 3.45Å; L207-K211 WeakPolarHBondContact O-CB 3.16Å; L207-K211 WeakPolarHBondContact O-CG 3.11Å; L207-K211 PolarHBondContact O-N 3.01Å |
| 208 | A | 81.2 | Confident | 83.4 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R202 D205 L212 | R202-A208 HydrophobicContact CB-CB 4.37Å; R202-A208 HydrophobicContact CG-CB 4.26Å; D205-A208 HydrophobicContact CB-CB 3.84Å; D205-A208 PolarHBondContact O-N 3.31Å; D205-A208 VanDerWaalsContact O-N 3.12Å; D205-A208 PolarHBondContact OD1-N 2.81Å; D205-A208 WeakPolarHBondContact OD2-CB 3.26Å; A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 3.23Å |
| 209 | V | 81.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | Y199 R202 D205 R206 K211 L212 A213 I233 L237 | Y199-V209 HydrophobicContact CD2-CG1 3.84Å; Y199-V209 HydrophobicContact CD2-CG2 4.31Å; Y199-V209 HydrophobicContact CE2-CG1 3.76Å; Y199-V209 HydrophobicContact CE2-CG2 4.29Å; R202-V209 HydrophobicContact CB-CG2 4.02Å; R202-V209 WeakPolarHBondContact O-CG2 3.42Å; D205-V209 WeakPolarHBondContact O-CG2 3.45Å; D205-V209 PolarHBondContact O-N 2.98Å; R206-V209 PolarHBondContact O-N 3.39Å; V209-K211 PolarHBondContact O-N 2.84Å; V209-L212 WeakPolarHBondContact O-CB 3.47Å; V209-L212 PolarHBondContact O-N 2.92Å; V209-A213 WeakPolarHBondContact O-CB 3.14Å; V209-A213 PolarHBondContact O-N 3.23Å; V209-I233 HydrophobicContact CG1-CG2 3.53Å; V209-L237 HydrophobicContact CB-CD1 4.05Å; V209-L237 HydrophobicContact CB-CD2 4.04Å; V209-L237 HydrophobicContact CB-CG 4.25Å; V209-L237 HydrophobicContact CG1-CD1 3.34Å; V209-L237 HydrophobicContact CG1-CD2 4.11Å; V209-L237 HydrophobicContact CG1-CG 3.74Å |
| 210 | M | 78.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 176 | -173.4 | 177.4 | 73.8 | 0 | 0 | 111.6 | R206 L207 L212 A213 Q214 L237 | R206-M210 WeakPolarHBondContact O-CB 3.33Å; R206-M210 PolarHBondContact O-N 3.35Å; L207-M210 HydrophobicContact CD2-CE 4.15Å; L207-M210 PolarHBondContact O-N 3.45Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 3.33Å; M210-A213 PolarHBondContact O-N 3.32Å; M210-Q214 WeakPolarHBondContact O-CG 3.47Å; M210-Q214 PolarHBondContact O-N 3.28Å; M210-L237 HydrophobicContact CB-CD2 4.35Å |
| 211 | K | 82.2 | Confident | 82.3 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 175.9 | -74.1 | 176.2 | -180 | 174.8 | 0 | 112.6 | L207 V209 K215 | L207-K211 WeakPolarHBondContact O-CB 3.16Å; L207-K211 WeakPolarHBondContact O-CG 3.11Å; L207-K211 PolarHBondContact O-N 3.01Å; V209-K211 PolarHBondContact O-N 2.84Å; K211-K215 WeakPolarHBondContact O-CB 3.48Å; K211-K215 PolarHBondContact O-N 3.42Å; K211-K215 VanDerWaalsContact O-N 3.08Å |
| 212 | L | 83.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.5 | 176.1 | 170.6 | 0 | 0 | 0 | 110.3 | L195 F198 A208 V209 M210 K215 Y216 L230 | L195-L212 HydrophobicContact CD1-CD2 3.81Å; F198-L212 HydrophobicContact CD1-CD1 3.24Å; F198-L212 HydrophobicContact CD1-CG 3.92Å; F198-L212 HydrophobicContact CE1-CD1 3.65Å; F198-L212 HydrophobicContact CE1-CG 4.08Å; F198-L212 HydrophobicContact CG-CD1 4.2Å; A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 3.23Å; V209-L212 WeakPolarHBondContact O-CB 3.47Å; V209-L212 PolarHBondContact O-N 2.92Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 3.33Å; L212-K215 PolarHBondContact O-N 3.43Å; L212-Y216 HydrophobicContact CD2-CD2 4.06Å; L212-Y216 HydrophobicContact CG-CD2 4.19Å; L212-Y216 HydrophobicContact CG-CE2 4.23Å; L212-Y216 VanDerWaalsContact O-CD2 3.23Å; L212-Y216 WeakPolarHBondContact O-CD2 3.33Å; L212-Y216 PolarHBondContact O-N 2.8Å; L212-L230 HydrophobicContact CD2-CD1 4.41Å |
| 213 | A | 82.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V209 M210 K215 Y216 C217 L230 M234 L237 L252 | V209-A213 WeakPolarHBondContact O-CB 3.14Å; V209-A213 PolarHBondContact O-N 3.23Å; M210-A213 PolarHBondContact O-N 3.32Å; A213-K215 VanDerWaalsContact C-N 3.3Å; A213-K215 PolarHBondContact O-N 3.01Å; A213-Y216 PolarHBondContact O-N 3.06Å; A213-C217 WeakPolarHBondContact O-CB 2.87Å; A213-C217 PolarHBondContact O-N 3.49Å; A213-C217 PolarHBondContact O-SG 3.07Å; A213-L230 HydrophobicContact CB-CD1 4.49Å; A213-M234 HydrophobicContact CB-CE 3.93Å; A213-M234 HydrophobicContact CB-CG 4.29Å; A213-L237 HydrophobicContact CB-CD1 4.18Å; A213-L252 HydrophobicContact CB-CD2 4.06Å |
| 214 | Q | 82.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.4 | -42.2 | 178.2 | -72.7 | 175.8 | -12.8 | 0 | 0 | 112.9 | M210 K218 D248 L252 | M210-Q214 WeakPolarHBondContact O-CG 3.47Å; M210-Q214 PolarHBondContact O-N 3.28Å; Q214-K218 WeakPolarHBondContact O-CG 3.29Å; Q214-K218 PolarHBondContact O-N 3.36Å; Q214-D248 VanDerWaalsContact NE2-CB 3.28Å; Q214-D248 PolarHBondContact NE2-OD2 2.89Å; Q214-L252 HydrophobicContact CG-CD2 4.35Å |
| 215 | K | 85.5 | Confident | 82 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 179.6 | -178.5 | -178.2 | 177.5 | -176.8 | 0 | 111.5 | K211 L212 A213 K218 Q219 | K211-K215 WeakPolarHBondContact O-CB 3.48Å; K211-K215 PolarHBondContact O-N 3.42Å; K211-K215 VanDerWaalsContact O-N 3.08Å; L212-K215 PolarHBondContact O-N 3.43Å; A213-K215 VanDerWaalsContact C-N 3.3Å; A213-K215 PolarHBondContact O-N 3.01Å; K215-K218 PolarHBondContact O-N 3.5Å; K215-Q219 WeakPolarHBondContact O-CB 3.44Å; K215-Q219 PolarHBondContact O-N 3.39Å |
| 216 | Y | 85 | Confident | 82.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.3 | -21 | -175.1 | -68 | -64.7 | 0 | 0 | 0 | 113.3 | I183 L195 L212 A213 G220 L221 | I183-Y216 HydrophobicContact CB-CE1 4.45Å; I183-Y216 HydrophobicContact CD1-CE2 4.31Å; I183-Y216 HydrophobicContact CG2-CD1 4.24Å; I183-Y216 HydrophobicContact CG2-CE1 3.42Å; I183-Y216 VanDerWaalsContact CG2-CE1 3.42Å; I183-Y216 HydrophobicContact CG2-CE2 4.09Å; I183-Y216 VanDerWaalsContact CG2-OH 3.3Å; I183-Y216 WeakPolarHBondContact CG2-OH 3.49Å; L195-Y216 HydrophobicContact CD1-CD2 4.2Å; L195-Y216 HydrophobicContact CD1-CE2 4.45Å; L212-Y216 HydrophobicContact CD2-CD2 4.06Å; L212-Y216 HydrophobicContact CG-CD2 4.19Å; L212-Y216 HydrophobicContact CG-CE2 4.23Å; L212-Y216 VanDerWaalsContact O-CD2 3.23Å; L212-Y216 WeakPolarHBondContact O-CD2 3.33Å; L212-Y216 PolarHBondContact O-N 2.8Å; A213-Y216 PolarHBondContact O-N 3.06Å; Y216-G220 PolarHBondContact O-N 3.05Å; Y216-G220 VanDerWaalsContact O-N 3.09Å; Y216-L221 HydrophobicContact CD1-CD2 3.69Å; Y216-L221 HydrophobicContact CE1-CD2 4.47Å; Y216-L221 HydrophobicContact CG-CD2 4.13Å |
| 217 | C | 83.2 | Confident | 82.5 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 12% | 0.122 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 162.8 | -75.5 | 0 | 0 | 0 | 0 | 112 | A213 M234 F255 | A213-C217 WeakPolarHBondContact O-CB 2.87Å; A213-C217 PolarHBondContact O-N 3.49Å; A213-C217 PolarHBondContact O-SG 3.07Å; C217-M234 WeakPolarHBondContact SG-CE 3.42Å; C217-F255 HydrophobicContact CB-CB 4.3Å; C217-F255 HydrophobicContact CB-CD2 4.05Å; C217-F255 HydrophobicContact CB-CG 4.1Å; C217-F255 VanDerWaalsContact SG-CD1 3.58Å; C217-F255 WeakPolarHBondContact SG-CG 3.46Å |
| 218 | K | 81.8 | Confident | 82.7 | Confident | 145 Ų | 145 | 46.1 Ų | 46.1 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.2 | -41.5 | -177.7 | -72.7 | 176.8 | 178.4 | 175.8 | 0 | 112.4 | Q214 K215 M251 | Q214-K218 WeakPolarHBondContact O-CG 3.29Å; Q214-K218 PolarHBondContact O-N 3.36Å; K215-K218 PolarHBondContact O-N 3.5Å; K218-M251 HydrophobicContact CD-CE 4.07Å; K218-M251 WeakPolarHBondContact CE-SD 2.91Å; K218-M251 HydrophobicContact CG-CE 3.67Å |
| 219 | Q | 83.1 | Confident | 82.9 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.1 | -28.8 | -176.8 | -171 | 175.2 | -6.9 | 0 | 0 | 112.5 | N184 K215 | N184-Q219 PolarHBondContact OD1-NE2 3.03Å; K215-Q219 WeakPolarHBondContact O-CB 3.44Å; K215-Q219 PolarHBondContact O-N 3.39Å |
| 220 | G | 79.7 | Confident | 82.9 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | trans | 72.8 | 145.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y216 | Y216-G220 PolarHBondContact O-N 3.05Å; Y216-G220 VanDerWaalsContact O-N 3.09Å | ||
| 221 | L | 82.2 | Confident | 82.6 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | trans | -108.5 | 142.5 | 175.6 | -64.3 | 173.2 | 0 | 0 | 0 | 109.6 | Q191 L195 Y216 A226 L230 | Q191-L221 HydrophobicContact CG-CD2 4.07Å; L195-L221 HydrophobicContact CD2-CD1 4.01Å; Y216-L221 HydrophobicContact CD1-CD2 3.69Å; Y216-L221 HydrophobicContact CE1-CD2 4.47Å; Y216-L221 HydrophobicContact CG-CD2 4.13Å; L221-A226 HydrophobicContact CB-CB 4.38Å; L221-A226 HydrophobicContact CD1-CB 3.9Å; L221-L230 HydrophobicContact CD1-CB 4.03Å; L221-L230 HydrophobicContact CD1-CD2 3.7Å; L221-L230 HydrophobicContact CD1-CG 4.41Å | ||
| 222 | R | 79.4 | Confident | 82.2 | Confident | 168 Ų | 168 | 41.1 Ų | 41.1 | 63% | 0.634 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -82.6 | -32.2 | -179.7 | -63.1 | 179.4 | -175.6 | 171.3 | 3.6 | 111.6 | ||
| 223 | S | 82.3 | Confident | 81.5 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | trans | -85.1 | 121.6 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | P188 Q191 L225 A226 T227 | P188-S223 WeakPolarHBondContact O-CB 3.1Å; P188-S223 PolarHBondContact O-OG 2.84Å; Q191-S223 VanDerWaalsContact OE1-N 3.15Å; S223-L225 PolarHBondContact O-N 3.44Å; S223-L225 PolarHBondContact OG-N 2.91Å; S223-A226 PolarHBondContact O-N 3.25Å; S223-A226 PolarHBondContact OG-N 2.87Å; S223-T227 PolarHBondContact O-N 3.07Å; S223-T227 PolarHBondContact O-OG1 2.99Å; S223-T227 VanDerWaalsContact O-OG1 3.14Å | ||
| 224 | S | 85.2 | Confident | 80.8 | Confident | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -33.7 | 172.8 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | T227 C228 V267 | S224-T227 PolarHBondContact O-N 3.44Å; S224-C228 VanDerWaalsContact O-CB 3.31Å; S224-C228 WeakPolarHBondContact O-CB 3.46Å; S224-C228 PolarHBondContact O-N 3.43Å; S224-V267 WeakPolarHBondContact O-CG2 3.45Å |
| 225 | L | 87.5 | Confident | 79.9 | Confident | 63 Ų | 63 | 40.4 Ų | 40.4 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.1 | -39.3 | 176.1 | -63.3 | 176.7 | 0 | 0 | 0 | 111.8 | M189 Y192 S223 C228 Y229 | M189-L225 HydrophobicContact CE-CD1 3.82Å; M189-L225 HydrophobicContact SD-CD1 4.12Å; Y192-L225 HydrophobicContact CD1-CB 4.46Å; Y192-L225 HydrophobicContact CD2-CB 3.9Å; Y192-L225 HydrophobicContact CE2-CB 4.31Å; Y192-L225 HydrophobicContact CG-CB 3.98Å; S223-L225 PolarHBondContact O-N 3.44Å; S223-L225 PolarHBondContact OG-N 2.91Å; L225-C228 PolarHBondContact O-N 3.47Å; L225-Y229 WeakPolarHBondContact O-CB 3.49Å; L225-Y229 PolarHBondContact O-N 3.01Å |
| 226 | A | 82.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q191 L195 L221 S223 Y229 L230 | Q191-A226 HydrophobicContact CG-CB 4.06Å; L195-A226 HydrophobicContact CD2-CB 4.15Å; L195-A226 WeakPolarHBondContact CD2-O 3.4Å; L221-A226 HydrophobicContact CB-CB 4.38Å; L221-A226 HydrophobicContact CD1-CB 3.9Å; S223-A226 PolarHBondContact O-N 3.25Å; S223-A226 PolarHBondContact OG-N 2.87Å; A226-Y229 PolarHBondContact O-N 3.48Å; A226-L230 VanDerWaalsContact O-CB 3.23Å; A226-L230 WeakPolarHBondContact O-CB 3.28Å; A226-L230 PolarHBondContact O-N 3.23Å |
| 227 | T | 83.1 | Confident | 77.3 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 173.5 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | S223 S224 L230 T231 F255 V267 | S223-T227 PolarHBondContact O-N 3.07Å; S223-T227 PolarHBondContact O-OG1 2.99Å; S223-T227 VanDerWaalsContact O-OG1 3.14Å; S224-T227 PolarHBondContact O-N 3.44Å; T227-L230 WeakPolarHBondContact O-CB 3.39Å; T227-L230 PolarHBondContact O-N 2.92Å; T227-T231 PolarHBondContact O-N 3.34Å; T227-T231 PolarHBondContact O-OG1 2.82Å; T227-F255 HydrophobicContact CG2-CZ 4.09Å; T227-V267 HydrophobicContact CG2-CG1 3.77Å; T227-V267 HydrophobicContact CG2-CG2 4.4Å |
| 228 | C | 84.7 | Confident | 76 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | S224 L225 L230 T231 V232 I266 V267 | S224-C228 VanDerWaalsContact O-CB 3.31Å; S224-C228 WeakPolarHBondContact O-CB 3.46Å; S224-C228 PolarHBondContact O-N 3.43Å; L225-C228 PolarHBondContact O-N 3.47Å; C228-L230 VanDerWaalsContact C-N 3.31Å; C228-L230 PolarHBondContact O-N 3.01Å; C228-T231 WeakPolarHBondContact CA-OG1 3.41Å; C228-T231 PolarHBondContact O-N 2.98Å; C228-T231 PolarHBondContact O-OG1 3.42Å; C228-V232 WeakPolarHBondContact O-CG2 3.47Å; C228-V232 PolarHBondContact O-N 3.41Å; C228-V232 VanDerWaalsContact O-N 3.11Å; C228-I266 HydrophobicContact CB-CG2 4.29Å; C228-V267 HydrophobicContact CB-CG2 4Å |
| 229 | Y | 84.6 | Confident | 74.5 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -34.7 | 178.4 | -165.1 | -104.2 | 0 | 0 | 0 | 111.6 | Y192 L195 V196 Y199 L225 A226 T231 V232 I233 | Y192-Y229 HydrophobicContact CE2-CD2 4.32Å; Y192-Y229 HydrophobicContact CE2-CG 4.13Å; L195-Y229 HydrophobicContact CD2-CD1 4.3Å; L195-Y229 HydrophobicContact CG-CD1 4.31Å; V196-Y229 HydrophobicContact CB-CE1 4.06Å; V196-Y229 HydrophobicContact CG1-CE1 4.44Å; V196-Y229 HydrophobicContact CG2-CD1 3.74Å; V196-Y229 HydrophobicContact CG2-CD2 4.19Å; V196-Y229 HydrophobicContact CG2-CE1 3.64Å; V196-Y229 HydrophobicContact CG2-CE2 4.09Å; V196-Y229 HydrophobicContact CG2-CG 4.02Å; Y199-Y229 HydrophobicContact CD1-CE1 4.12Å; Y199-Y229 WeakPolarHBondContact CD1-OH 3.37Å; Y199-Y229 HydrophobicContact CG-CE1 4.4Å; L225-Y229 WeakPolarHBondContact O-CB 3.49Å; L225-Y229 PolarHBondContact O-N 3.01Å; A226-Y229 PolarHBondContact O-N 3.48Å; Y229-T231 VanDerWaalsContact C-N 3.32Å; Y229-T231 PolarHBondContact O-N 3.12Å; Y229-V232 WeakPolarHBondContact O-CB 3.49Å; Y229-V232 PolarHBondContact O-N 2.91Å; Y229-V232 VanDerWaalsContact O-N 3.15Å; Y229-I233 HydrophobicContact CD1-CD1 3.39Å; Y229-I233 HydrophobicContact CD1-CG1 3.88Å; Y229-I233 HydrophobicContact CE1-CD1 3.47Å; Y229-I233 VanDerWaalsContact CE1-CD1 3.47Å; Y229-I233 HydrophobicContact CE1-CG1 3.72Å; Y229-I233 HydrophobicContact CG-CD1 4.44Å; Y229-I233 VanDerWaalsContact O-CG1 3.27Å; Y229-I233 WeakPolarHBondContact O-CG1 3.27Å; Y229-I233 PolarHBondContact O-N 2.88Å |
| 230 | L | 81.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.3 | -175.3 | 63.3 | 0 | 0 | 0 | 111.6 | L195 L212 A213 L221 A226 T227 C228 V232 I233 M234 F255 | L195-L230 HydrophobicContact CD2-CB 4.16Å; L212-L230 HydrophobicContact CD2-CD1 4.41Å; A213-L230 HydrophobicContact CB-CD1 4.49Å; L221-L230 HydrophobicContact CD1-CB 4.03Å; L221-L230 HydrophobicContact CD1-CD2 3.7Å; L221-L230 HydrophobicContact CD1-CG 4.41Å; A226-L230 VanDerWaalsContact O-CB 3.23Å; A226-L230 WeakPolarHBondContact O-CB 3.28Å; A226-L230 PolarHBondContact O-N 3.23Å; T227-L230 WeakPolarHBondContact O-CB 3.39Å; T227-L230 PolarHBondContact O-N 2.92Å; C228-L230 VanDerWaalsContact C-N 3.31Å; C228-L230 PolarHBondContact O-N 3.01Å; L230-V232 VanDerWaalsContact C-N 3.35Å; L230-I233 PolarHBondContact O-N 3.16Å; L230-M234 HydrophobicContact CD1-CE 3.75Å; L230-M234 HydrophobicContact CD2-CE 3.89Å; L230-M234 HydrophobicContact CG-CE 3.47Å; L230-M234 VanDerWaalsContact CG-CE 3.47Å; L230-M234 VanDerWaalsContact O-CG 3.31Å; L230-M234 WeakPolarHBondContact O-CG 3.18Å; L230-M234 PolarHBondContact O-N 3.04Å; L230-M234 VanDerWaalsContact O-N 3.14Å; L230-F255 HydrophobicContact CD2-CE1 3.87Å; L230-F255 HydrophobicContact CD2-CZ 3.81Å; L230-F255 HydrophobicContact CG-CE1 4.36Å |
| 231 | T | 72.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | 173.3 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | T227 C228 Y229 M234 F255 C259 E270 | T227-T231 PolarHBondContact O-N 3.34Å; T227-T231 PolarHBondContact O-OG1 2.82Å; C228-T231 WeakPolarHBondContact CA-OG1 3.41Å; C228-T231 PolarHBondContact O-N 2.98Å; C228-T231 PolarHBondContact O-OG1 3.42Å; Y229-T231 VanDerWaalsContact C-N 3.32Å; Y229-T231 PolarHBondContact O-N 3.12Å; T231-M234 PolarHBondContact O-N 3.39Å; T231-F255 HydrophobicContact CG2-CE1 4.31Å; T231-C259 HydrophobicContact CG2-CB 4.39Å; T231-E270 WeakPolarHBondContact OG1-CG 3.41Å |
| 232 | V | 74.2 | Confident | 69.7 | Low | 55 Ų | 55 | 45.7 Ų | 45.7 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -46 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | C228 Y229 L230 M234 L235 P236 E270 | C228-V232 WeakPolarHBondContact O-CG2 3.47Å; C228-V232 PolarHBondContact O-N 3.41Å; C228-V232 VanDerWaalsContact O-N 3.11Å; Y229-V232 WeakPolarHBondContact O-CB 3.49Å; Y229-V232 PolarHBondContact O-N 2.91Å; Y229-V232 VanDerWaalsContact O-N 3.15Å; L230-V232 VanDerWaalsContact C-N 3.35Å; V232-M234 PolarHBondContact O-N 3.31Å; V232-L235 WeakPolarHBondContact O-CB 3.37Å; V232-L235 PolarHBondContact O-N 3.04Å; V232-L235 VanDerWaalsContact O-N 3.12Å; V232-P236 WeakPolarHBondContact O-CD 3.02Å; V232-E270 HydrophobicContact CG2-CG 3.6Å; V232-E270 WeakPolarHBondContact CG2-OE1 3.36Å |
| 233 | I | 69.1 | Low | 68 | Low | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | 178.9 | -69.4 | 163 | 0 | 0 | 0 | 111.7 | L195 Y199 V209 Y229 L230 L235 P236 L237 | L195-I233 HydrophobicContact CD1-CD1 4.43Å; L195-I233 HydrophobicContact CD2-CD1 4.37Å; L195-I233 HydrophobicContact CG-CD1 4.14Å; Y199-I233 HydrophobicContact CD1-CD1 4.49Å; Y199-I233 HydrophobicContact CD1-CG1 4.02Å; Y199-I233 HydrophobicContact CD2-CB 4.15Å; Y199-I233 HydrophobicContact CD2-CD1 4.02Å; Y199-I233 HydrophobicContact CD2-CG1 3.64Å; Y199-I233 HydrophobicContact CD2-CG2 3.47Å; Y199-I233 VanDerWaalsContact CD2-CG2 3.47Å; Y199-I233 HydrophobicContact CE1-CG1 4.31Å; Y199-I233 HydrophobicContact CE2-CB 4.18Å; Y199-I233 HydrophobicContact CE2-CG1 3.97Å; Y199-I233 HydrophobicContact CE2-CG2 3.53Å; Y199-I233 HydrophobicContact CG-CD1 3.83Å; Y199-I233 HydrophobicContact CG-CG1 3.66Å; Y199-I233 HydrophobicContact CG-CG2 4.35Å; V209-I233 HydrophobicContact CG1-CG2 3.53Å; Y229-I233 HydrophobicContact CD1-CD1 3.39Å; Y229-I233 HydrophobicContact CD1-CG1 3.88Å; Y229-I233 HydrophobicContact CE1-CD1 3.47Å; Y229-I233 VanDerWaalsContact CE1-CD1 3.47Å; Y229-I233 HydrophobicContact CE1-CG1 3.72Å; Y229-I233 HydrophobicContact CG-CD1 4.44Å; Y229-I233 VanDerWaalsContact O-CG1 3.27Å; Y229-I233 WeakPolarHBondContact O-CG1 3.27Å; Y229-I233 PolarHBondContact O-N 2.88Å; L230-I233 PolarHBondContact O-N 3.16Å; I233-L235 PolarHBondContact O-N 2.9Å; I233-P236 WeakPolarHBondContact O-CD 3.47Å; I233-L237 HydrophobicContact CG2-CD1 4.38Å |
| 234 | M | 67 | Low | 66.2 | Low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70 | -20.5 | -180 | -72.8 | 171.9 | -169.6 | 0 | 0 | 113.6 | A213 C217 L230 T231 V232 L237 R238 L252 F255 I256 | A213-M234 HydrophobicContact CB-CE 3.93Å; A213-M234 HydrophobicContact CB-CG 4.29Å; C217-M234 WeakPolarHBondContact SG-CE 3.42Å; L230-M234 HydrophobicContact CD1-CE 3.75Å; L230-M234 HydrophobicContact CD2-CE 3.89Å; L230-M234 HydrophobicContact CG-CE 3.47Å; L230-M234 VanDerWaalsContact CG-CE 3.47Å; L230-M234 VanDerWaalsContact O-CG 3.31Å; L230-M234 WeakPolarHBondContact O-CG 3.18Å; L230-M234 PolarHBondContact O-N 3.04Å; L230-M234 VanDerWaalsContact O-N 3.14Å; T231-M234 PolarHBondContact O-N 3.39Å; V232-M234 PolarHBondContact O-N 3.31Å; M234-L237 WeakPolarHBondContact O-CB 3.48Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 2.96Å; M234-L252 HydrophobicContact CE-CD2 3.94Å; M234-L252 HydrophobicContact SD-CD2 4.31Å; M234-F255 HydrophobicContact CE-CD1 3.93Å; M234-F255 HydrophobicContact CE-CE1 4.1Å; M234-F255 HydrophobicContact SD-CD1 4.06Å; M234-F255 HydrophobicContact SD-CE1 4.47Å; M234-I256 HydrophobicContact CB-CD1 4.3Å; M234-I256 HydrophobicContact SD-CD1 4.19Å; M234-I256 HydrophobicContact SD-CG1 4.11Å |
| 235 | L | 63.1 | Low | 64.4 | Low | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -53.6 | -175.2 | 176.4 | 67.6 | 0 | 0 | 0 | 112.5 | V232 I233 L237 R238 L239 R277 | V232-L235 WeakPolarHBondContact O-CB 3.37Å; V232-L235 PolarHBondContact O-N 3.04Å; V232-L235 VanDerWaalsContact O-N 3.12Å; I233-L235 PolarHBondContact O-N 2.9Å; L235-L237 PolarHBondContact O-N 2.86Å; L235-R238 PolarHBondContact O-N 3.48Å; L235-R238 VanDerWaalsContact O-N 3.07Å; L235-L239 HydrophobicContact CD1-CD1 3.89Å; L235-L239 HydrophobicContact CD1-CG 4.06Å; L235-L239 HydrophobicContact CG-CD1 3.89Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CG 3.36Å; L235-L239 PolarHBondContact O-N 3.22Å; L235-R277 HydrophobicContact CD1-CB 3.56Å; L235-R277 HydrophobicContact CD1-CG 4.5Å |
| 236 | P | 58.9 | Low | 62.7 | Low | 51 Ų | 51 | 52.4 Ų | 52.4 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.1 | -39.6 | 173.1 | -22.5 | 30.4 | 0 | 0 | 0 | 112.5 | V232 I233 R238 L239 L240 | V232-P236 WeakPolarHBondContact O-CD 3.02Å; I233-P236 WeakPolarHBondContact O-CD 3.47Å; P236-R238 PolarHBondContact O-N 3.48Å; P236-R238 VanDerWaalsContact O-N 3.12Å; P236-L239 PolarHBondContact O-N 2.8Å; P236-L240 PolarHBondContact O-N 3.14Å |
| 237 | L | 58.5 | Low | 61.3 | Low | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -12.9 | 177.8 | -88.4 | 177 | 0 | 0 | 0 | 114.7 | R206 V209 M210 A213 I233 M234 L235 V241 | R206-L237 HydrophobicContact CG-CD2 4.02Å; V209-L237 HydrophobicContact CB-CD1 4.05Å; V209-L237 HydrophobicContact CB-CD2 4.04Å; V209-L237 HydrophobicContact CB-CG 4.25Å; V209-L237 HydrophobicContact CG1-CD1 3.34Å; V209-L237 HydrophobicContact CG1-CD2 4.11Å; V209-L237 HydrophobicContact CG1-CG 3.74Å; M210-L237 HydrophobicContact CB-CD2 4.35Å; A213-L237 HydrophobicContact CB-CD1 4.18Å; I233-L237 HydrophobicContact CG2-CD1 4.38Å; M234-L237 WeakPolarHBondContact O-CB 3.48Å; L235-L237 PolarHBondContact O-N 2.86Å; L237-V241 WeakPolarHBondContact O-CG2 3.41Å |
| 238 | R | 54.9 | Low | 60 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113.6 | -29 | 177.4 | -74.4 | -171.9 | -177.5 | 162.7 | 8.5 | 113.5 | M234 L235 P236 L240 V241 L252 L253 L278 | M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 2.96Å; L235-R238 PolarHBondContact O-N 3.48Å; L235-R238 VanDerWaalsContact O-N 3.07Å; P236-R238 PolarHBondContact O-N 3.48Å; P236-R238 VanDerWaalsContact O-N 3.12Å; R238-L240 VanDerWaalsContact C-N 3.27Å; R238-L240 PolarHBondContact O-N 3.37Å; R238-V241 PolarHBondContact O-N 3.36Å; R238-L252 PolarHBondContact NH2-O 2.76Å; R238-L253 VanDerWaalsContact NH2-CA 3.3Å; R238-L278 HydrophobicContact CB-CD2 3.63Å; R238-L278 HydrophobicContact CG-CD2 4.23Å |
| 239 | L | 50 | Low | 59 | Low | 82 Ų | 82 | 64.1 Ų | 64.1 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -31 | 174.7 | -73.1 | 175.4 | 0 | 0 | 0 | 112.3 | L235 P236 V241 R277 | L235-L239 HydrophobicContact CD1-CD1 3.89Å; L235-L239 HydrophobicContact CD1-CG 4.06Å; L235-L239 HydrophobicContact CG-CD1 3.89Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CG 3.36Å; L235-L239 PolarHBondContact O-N 3.22Å; P236-L239 PolarHBondContact O-N 2.8Å; L239-V241 VanDerWaalsContact C-N 3.34Å; L239-R277 WeakPolarHBondContact CD2-O 3.18Å |
| 240 | L | 48.4 | Very low | 58.3 | Low | 127 Ų | 127 | 63.4 Ų | 63.4 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 11.3 | -178.8 | -72.9 | 160 | 0 | 0 | 0 | 113.9 | R206 P236 R238 | R206-L240 PolarHBondContact NH1-O 2.82Å; R206-L240 VanDerWaalsContact NH1-O 3.12Å; P236-L240 PolarHBondContact O-N 3.14Å; R238-L240 VanDerWaalsContact C-N 3.27Å; R238-L240 PolarHBondContact O-N 3.37Å |
| 241 | V | 51.1 | Low | 58 | Low | 38 Ų | 38 | 67.1 Ų | 67.1 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | trans | -122.3 | 83.9 | -167.9 | -170.7 | 0 | 0 | 0 | 0 | 111 | R206 L237 R238 L239 F243 | R206-V241 VanDerWaalsContact CZ-CG2 3.42Å; R206-V241 VanDerWaalsContact NH2-CG1 3.33Å; L237-V241 WeakPolarHBondContact O-CG2 3.41Å; R238-V241 PolarHBondContact O-N 3.36Å; L239-V241 VanDerWaalsContact C-N 3.34Å; V241-F243 HydrophobicContact CG1-CB 3.6Å; V241-F243 HydrophobicContact CG1-CD2 3.97Å; V241-F243 HydrophobicContact CG1-CG 4.25Å; V241-F243 PolarHBondContact O-N 3.13Å | ||
| 242 | F | 44.3 | Very low | 58.1 | Low | 188 Ų | 188 | 67.7 Ų | 67.7 | 83% | 0.825 | 35% | 0.351 | S | S | * | . | trans | -72.3 | 23 | 155.1 | -86.3 | -82.3 | 0 | 0 | 0 | 112.7 | ||||
| 243 | F | 44.8 | Very low | 58.3 | Low | 136 Ų | 136 | 66.8 Ų | 66.8 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | trans | -82.4 | 139.1 | 174.3 | -77.3 | -95.5 | 0 | 0 | 0 | 110.6 | V241 | V241-F243 HydrophobicContact CG1-CB 3.6Å; V241-F243 HydrophobicContact CG1-CD2 3.97Å; V241-F243 HydrophobicContact CG1-CG 4.25Å; V241-F243 PolarHBondContact O-N 3.13Å | ||
| 244 | P | 44.4 | Very low | 58.9 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | trans | -57.1 | 143.2 | 179.3 | 26.3 | -34.3 | 0 | 0 | 0 | 109.1 | S246 | P244-S246 VanDerWaalsContact C-N 3.27Å; P244-S246 PolarHBondContact O-N 3.09Å; P244-S246 PolarHBondContact O-OG 2.95Å; P244-S246 VanDerWaalsContact O-OG 3.08Å | ||
| 245 | I | 46.5 | Very low | 59.7 | Low | 168 Ų | 168 | 73.3 Ų | 73.3 | 86% | 0.862 | 38% | 0.378 | S | S | * | . | trans | -40.2 | 86.2 | -178.6 | -57.6 | 161.1 | 0 | 0 | 0 | 110.7 | ||||
| 246 | S | 52.3 | Low | 60.7 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | trans | -77.4 | 142.6 | 169.7 | -38 | 0 | 0 | 0 | 0 | 106.3 | P244 D248 T249 | P244-S246 VanDerWaalsContact C-N 3.27Å; P244-S246 PolarHBondContact O-N 3.09Å; P244-S246 PolarHBondContact O-OG 2.95Å; P244-S246 VanDerWaalsContact O-OG 3.08Å; S246-D248 PolarHBondContact O-N 3.23Å; S246-T249 WeakPolarHBondContact O-CB 3.45Å; S246-T249 PolarHBondContact O-N 3.18Å | ||
| 247 | R | 52.8 | Low | 61.9 | Low | 159 Ų | 159 | 72.1 Ų | 72.1 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -47.1 | -30.8 | 175.9 | -74.4 | 177.9 | 175.6 | -168.2 | -3.6 | 113.3 | T249 G250 M251 E792 | R247-T249 VanDerWaalsContact C-N 3.29Å; R247-T249 PolarHBondContact O-N 3.1Å; R247-G250 PolarHBondContact O-N 3.45Å; R247-G250 VanDerWaalsContact O-N 3.16Å; R247-M251 PolarHBondContact O-N 3Å; R247-E792 IonicContact CZ-OE1 2.78Å; R247-E792 IonicContact NE-OE1 2.73Å; R247-E792 PolarHBondContact NE-OE1 3.33Å |
| 248 | D | 56.3 | Low | 63.3 | Low | 69 Ų | 69 | 74.2 Ų | 74.2 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -32.4 | 177.3 | -78.3 | 4.6 | 0 | 0 | 0 | 114.2 | Q214 S246 | Q214-D248 VanDerWaalsContact NE2-CB 3.28Å; Q214-D248 PolarHBondContact NE2-OD2 2.89Å; S246-D248 PolarHBondContact O-N 3.23Å |
| 249 | T | 62.9 | Low | 64.9 | Low | 43 Ų | 43 | 73.5 Ų | 73.5 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.8 | -34.7 | 176.1 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | S246 R247 L252 L253 | S246-T249 WeakPolarHBondContact O-CB 3.45Å; S246-T249 PolarHBondContact O-N 3.18Å; R247-T249 VanDerWaalsContact C-N 3.29Å; R247-T249 PolarHBondContact O-N 3.1Å; T249-L252 PolarHBondContact O-N 3.14Å; T249-L253 HydrophobicContact CG2-CD1 4.19Å; T249-L253 WeakPolarHBondContact O-CG 3.31Å; T249-L253 PolarHBondContact O-N 2.82Å |
| 250 | G | 70.6 | Confident | 66.7 | Low | 25 Ų | 25 | 70.3 Ų | 70.3 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R247 L252 L253 D254 | R247-G250 PolarHBondContact O-N 3.45Å; R247-G250 VanDerWaalsContact O-N 3.16Å; G250-L252 VanDerWaalsContact C-N 3.26Å; G250-L252 PolarHBondContact O-N 2.92Å; G250-L253 PolarHBondContact O-N 3.22Å; G250-D254 VanDerWaalsContact O-CG 3.31Å; G250-D254 PolarHBondContact O-N 3.31Å |
| 251 | M | 75.4 | Confident | 68.7 | Low | 78 Ų | 78 | 75 Ų | 75 | 38% | 0.384 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.4 | -40.2 | 176.6 | -72.6 | -156.5 | 65.1 | 0 | 0 | 113 | K218 R247 F255 | K218-M251 HydrophobicContact CD-CE 4.07Å; K218-M251 WeakPolarHBondContact CE-SD 2.91Å; K218-M251 HydrophobicContact CG-CE 3.67Å; R247-M251 PolarHBondContact O-N 3Å; M251-F255 PolarHBondContact O-N 2.86Å; M251-F255 VanDerWaalsContact O-N 3.12Å |
| 252 | L | 75.2 | Confident | 70.5 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 177.4 | -61.1 | 171.1 | 0 | 0 | 0 | 109.6 | A213 Q214 M234 R238 T249 G250 F255 I256 | A213-L252 HydrophobicContact CB-CD2 4.06Å; Q214-L252 HydrophobicContact CG-CD2 4.35Å; M234-L252 HydrophobicContact CE-CD2 3.94Å; M234-L252 HydrophobicContact SD-CD2 4.31Å; R238-L252 PolarHBondContact NH2-O 2.76Å; T249-L252 PolarHBondContact O-N 3.14Å; G250-L252 VanDerWaalsContact C-N 3.26Å; G250-L252 PolarHBondContact O-N 2.92Å; L252-F255 WeakPolarHBondContact O-CB 3.49Å; L252-F255 PolarHBondContact O-N 3.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 3.46Å |
| 253 | L | 77.2 | Confident | 72.6 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | -177.9 | -77.3 | 165.6 | 0 | 0 | 0 | 110.3 | R238 T249 G250 F255 I256 D257 L275 L278 | R238-L253 VanDerWaalsContact NH2-CA 3.3Å; T249-L253 HydrophobicContact CG2-CD1 4.19Å; T249-L253 WeakPolarHBondContact O-CG 3.31Å; T249-L253 PolarHBondContact O-N 2.82Å; G250-L253 PolarHBondContact O-N 3.22Å; L253-F255 PolarHBondContact O-N 3.29Å; L253-I256 PolarHBondContact O-N 3.48Å; L253-I256 VanDerWaalsContact O-N 3.07Å; L253-D257 PolarHBondContact O-N 2.98Å; L253-L275 HydrophobicContact CD2-CD2 4.36Å; L253-L278 HydrophobicContact CD2-CD1 3.73Å |
| 254 | D | 81.4 | Confident | 74.8 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.3 | -39.2 | 173.5 | -67.1 | -24.7 | 0 | 0 | 0 | 111.5 | G250 S258 | G250-D254 VanDerWaalsContact O-CG 3.31Å; G250-D254 PolarHBondContact O-N 3.31Å; D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 3Å |
| 255 | F | 84.5 | Confident | 77 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.9 | 179.1 | -98.5 | 0 | 0 | 0 | 112.1 | C217 T227 L230 T231 M234 M251 L252 L253 S258 C259 | C217-F255 HydrophobicContact CB-CB 4.3Å; C217-F255 HydrophobicContact CB-CD2 4.05Å; C217-F255 HydrophobicContact CB-CG 4.1Å; C217-F255 VanDerWaalsContact SG-CD1 3.58Å; C217-F255 WeakPolarHBondContact SG-CG 3.46Å; T227-F255 HydrophobicContact CG2-CZ 4.09Å; L230-F255 HydrophobicContact CD2-CE1 3.87Å; L230-F255 HydrophobicContact CD2-CZ 3.81Å; L230-F255 HydrophobicContact CG-CE1 4.36Å; T231-F255 HydrophobicContact CG2-CE1 4.31Å; M234-F255 HydrophobicContact CE-CD1 3.93Å; M234-F255 HydrophobicContact CE-CE1 4.1Å; M234-F255 HydrophobicContact SD-CD1 4.06Å; M234-F255 HydrophobicContact SD-CE1 4.47Å; M251-F255 PolarHBondContact O-N 2.86Å; M251-F255 VanDerWaalsContact O-N 3.12Å; L252-F255 WeakPolarHBondContact O-CB 3.49Å; L252-F255 PolarHBondContact O-N 3.3Å; L253-F255 PolarHBondContact O-N 3.29Å; F255-S258 PolarHBondContact O-N 2.89Å; F255-S258 PolarHBondContact O-OG 2.86Å; F255-C259 VanDerWaalsContact CE1-SG 3.59Å; F255-C259 PolarHBondContact O-N 3.07Å; F255-C259 PolarHBondContact O-SG 2.99Å |
| 256 | I | 84.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178 | -60.2 | -168.4 | 0 | 0 | 0 | 111 | M234 L252 L253 S258 C259 L260 A271 A274 L275 | M234-I256 HydrophobicContact CB-CD1 4.3Å; M234-I256 HydrophobicContact SD-CD1 4.19Å; M234-I256 HydrophobicContact SD-CG1 4.11Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 3.46Å; L253-I256 PolarHBondContact O-N 3.48Å; L253-I256 VanDerWaalsContact O-N 3.07Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3.05Å; I256-C259 WeakPolarHBondContact O-CA 3.13Å; I256-C259 VanDerWaalsContact O-CB 3.31Å; I256-C259 WeakPolarHBondContact O-CB 3.49Å; I256-C259 PolarHBondContact O-N 3.28Å; I256-L260 PolarHBondContact O-N 2.99Å; I256-A271 HydrophobicContact CG2-CB 3.87Å; I256-A274 HydrophobicContact CD1-CB 4.27Å; I256-L275 HydrophobicContact CB-CD2 4.31Å; I256-L275 HydrophobicContact CG2-CD1 4.2Å; I256-L275 HydrophobicContact CG2-CD2 3.8Å; I256-L275 HydrophobicContact CG2-CG 3.65Å |
| 257 | D | 83.9 | Confident | 80.9 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.9 | -164.5 | 21.9 | 0 | 0 | 0 | 110.8 | L253 C259 L260 | L253-D257 PolarHBondContact O-N 2.98Å; D257-C259 VanDerWaalsContact C-N 3.28Å; D257-C259 PolarHBondContact O-N 2.66Å; D257-L260 WeakPolarHBondContact O-CB 3.23Å; D257-L260 PolarHBondContact O-N 2.88Å |
| 258 | S | 87.3 | Confident | 82.8 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 172.8 | 83.9 | 0 | 0 | 0 | 0 | 112.9 | D254 F255 I256 L260 R261 | D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 3Å; F255-S258 PolarHBondContact O-N 2.89Å; F255-S258 PolarHBondContact O-OG 2.86Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3.05Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact O-N 2.67Å; S258-R261 PolarHBondContact O-N 2.95Å |
| 259 | C | 88.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.3 | -22.6 | 178.3 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | T231 F255 I256 D257 R261 N262 V267 A271 | T231-C259 HydrophobicContact CG2-CB 4.39Å; F255-C259 VanDerWaalsContact CE1-SG 3.59Å; F255-C259 PolarHBondContact O-N 3.07Å; F255-C259 PolarHBondContact O-SG 2.99Å; I256-C259 WeakPolarHBondContact O-CA 3.13Å; I256-C259 VanDerWaalsContact O-CB 3.31Å; I256-C259 WeakPolarHBondContact O-CB 3.49Å; I256-C259 PolarHBondContact O-N 3.28Å; D257-C259 VanDerWaalsContact C-N 3.28Å; D257-C259 PolarHBondContact O-N 2.66Å; C259-R261 PolarHBondContact O-N 3.2Å; C259-N262 VanDerWaalsContact O-CB 3.22Å; C259-N262 WeakPolarHBondContact O-CB 3.09Å; C259-N262 PolarHBondContact O-N 3.4Å; C259-N262 VanDerWaalsContact O-N 3.11Å; C259-V267 HydrophobicContact CB-CG1 3.9Å; C259-A271 HydrophobicContact CB-CB 3.65Å |
| 260 | L | 89.1 | Confident | 85.8 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.1 | 172.6 | -64.2 | 178.8 | 0 | 0 | 0 | 112.9 | I256 D257 S258 A271 A272 L275 V292 | I256-L260 PolarHBondContact O-N 2.99Å; D257-L260 WeakPolarHBondContact O-CB 3.23Å; D257-L260 PolarHBondContact O-N 2.88Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact O-N 2.67Å; L260-A271 HydrophobicContact CD2-CB 3.86Å; L260-A271 HydrophobicContact CG-CB 4.4Å; L260-A272 HydrophobicContact CD2-CB 3.9Å; L260-L275 HydrophobicContact CD1-CD1 3.74Å; L260-L275 HydrophobicContact CD2-CD1 4.28Å; L260-L275 HydrophobicContact CG-CD1 4.23Å; L260-V292 HydrophobicContact CB-CG2 4.34Å; L260-V292 HydrophobicContact CD2-CG2 4.36Å |
| 261 | R | 88.9 | Confident | 86.7 | Confident | 226 Ų | 226 | 55 Ų | 55 | 85% | 0.853 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 13.3 | 178 | -57 | -176.7 | -173 | -168.6 | 1.1 | 113.3 | S258 C259 | S258-R261 PolarHBondContact O-N 2.95Å; C259-R261 PolarHBondContact O-N 3.2Å |
| 262 | N | 89.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | trans | -67.8 | 152.9 | -179.1 | -160.9 | -59.1 | 0 | 0 | 0 | 111.3 | C259 S264 V267 V268 | C259-N262 VanDerWaalsContact O-CB 3.22Å; C259-N262 WeakPolarHBondContact O-CB 3.09Å; C259-N262 PolarHBondContact O-N 3.4Å; C259-N262 VanDerWaalsContact O-N 3.11Å; N262-S264 PolarHBondContact O-N 2.75Å; N262-S264 PolarHBondContact OD1-N 3.25Å; N262-V267 HydrophobicContact CB-CB 4.07Å; N262-V267 HydrophobicContact CB-CG1 3.84Å; N262-V268 HydrophobicContact CB-CG2 4.03Å; N262-V268 VanDerWaalsContact O-CG2 3.24Å; N262-V268 WeakPolarHBondContact O-CG2 3.22Å | ||
| 263 | K | 89.1 | Confident | 88 | Confident | 216 Ų | 216 | 50.9 Ų | 50.9 | 94% | 0.939 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.6 | -25 | 174.7 | -65 | -177.3 | 179 | -179.3 | 0 | 112.7 | ||
| 264 | S | 90.3 | Very high | 88.4 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | trans | -93.3 | 117.4 | -176.1 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | N262 I266 V267 V268 | N262-S264 PolarHBondContact O-N 2.75Å; N262-S264 PolarHBondContact OD1-N 3.25Å; S264-I266 PolarHBondContact O-N 3.31Å; S264-I266 WeakPolarHBondContact OG-CG2 3.44Å; S264-V267 PolarHBondContact O-N 2.92Å; S264-V268 WeakPolarHBondContact O-CG2 3.5Å; S264-V268 PolarHBondContact O-N 2.83Å; S264-V268 VanDerWaalsContact O-N 3.13Å | ||
| 265 | E | 91 | Very high | 88.6 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.9 | -33.5 | -179.5 | -62.1 | 164.9 | 166.3 | 0 | 0 | 112.9 | V268 Y269 F296 K301 L304 | E265-V268 PolarHBondContact O-N 3Å; E265-Y269 WeakPolarHBondContact O-CB 3.45Å; E265-Y269 PolarHBondContact O-N 3.15Å; E265-F296 HydrophobicContact CB-CZ 4.41Å; E265-K301 IonicContact OE1-NZ 3.99Å; E265-K301 PolarHBondContact OE1-NZ 2.94Å; E265-K301 IonicContact OE2-NZ 3.87Å; E265-K301 PolarHBondContact OE2-NZ 2.88Å; E265-L304 HydrophobicContact CB-CD1 4.31Å; E265-L304 HydrophobicContact CB-CD2 4.15Å; E265-L304 HydrophobicContact CG-CD1 4.18Å |
| 266 | I | 90.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 42% | 0.415 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 178.4 | -159.4 | 176 | 0 | 0 | 0 | 111.9 | C228 S264 E270 | C228-I266 HydrophobicContact CB-CG2 4.29Å; S264-I266 PolarHBondContact O-N 3.31Å; S264-I266 WeakPolarHBondContact OG-CG2 3.44Å; I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 PolarHBondContact O-N 3.38Å |
| 267 | V | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.5 | 178 | 0 | 0 | 0 | 0 | 109.9 | S224 T227 C228 C259 N262 S264 E270 A271 | S224-V267 WeakPolarHBondContact O-CG2 3.45Å; T227-V267 HydrophobicContact CG2-CG1 3.77Å; T227-V267 HydrophobicContact CG2-CG2 4.4Å; C228-V267 HydrophobicContact CB-CG2 4Å; C259-V267 HydrophobicContact CB-CG1 3.9Å; N262-V267 HydrophobicContact CB-CB 4.07Å; N262-V267 HydrophobicContact CB-CG1 3.84Å; S264-V267 PolarHBondContact O-N 2.92Å; V267-E270 PolarHBondContact O-N 2.93Å; V267-A271 VanDerWaalsContact O-CB 3.24Å; V267-A271 WeakPolarHBondContact O-CB 3.03Å; V267-A271 PolarHBondContact O-N 2.66Å |
| 268 | V | 92.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | N262 S264 E265 A272 V292 F296 | N262-V268 HydrophobicContact CB-CG2 4.03Å; N262-V268 VanDerWaalsContact O-CG2 3.24Å; N262-V268 WeakPolarHBondContact O-CG2 3.22Å; S264-V268 WeakPolarHBondContact O-CG2 3.5Å; S264-V268 PolarHBondContact O-N 2.83Å; S264-V268 VanDerWaalsContact O-N 3.13Å; E265-V268 PolarHBondContact O-N 3Å; V268-A272 PolarHBondContact O-N 2.99Å; V268-V292 HydrophobicContact CG1-CG1 3.23Å; V268-F296 HydrophobicContact CB-CZ 3.99Å; V268-F296 HydrophobicContact CG1-CE1 4.41Å; V268-F296 HydrophobicContact CG1-CE2 4.1Å; V268-F296 HydrophobicContact CG1-CZ 3.57Å |
| 269 | Y | 92.3 | Very high | 87.5 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 9% | 0.09 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.7 | 177 | -104.8 | 0 | 0 | 0 | 112 | E265 A271 A272 S273 L293 F296 A307 R310 T311 | E265-Y269 WeakPolarHBondContact O-CB 3.45Å; E265-Y269 PolarHBondContact O-N 3.15Å; Y269-A271 VanDerWaalsContact C-N 3.33Å; Y269-A271 PolarHBondContact O-N 3.28Å; Y269-A272 PolarHBondContact O-N 2.91Å; Y269-S273 WeakPolarHBondContact O-CB 3.15Å; Y269-S273 PolarHBondContact O-N 3.36Å; Y269-L293 HydrophobicContact CD2-CD2 4.08Å; Y269-L293 HydrophobicContact CE2-CD2 4.19Å; Y269-F296 HydrophobicContact CD2-CD2 4.39Å; Y269-F296 HydrophobicContact CD2-CE2 4.43Å; Y269-A307 HydrophobicContact CD2-CB 4.02Å; Y269-A307 HydrophobicContact CE1-CB 4.23Å; Y269-A307 VanDerWaalsContact CE2-C 3.48Å; Y269-A307 HydrophobicContact CE2-CB 3.53Å; Y269-A307 VanDerWaalsContact CE2-O 3.24Å; Y269-A307 WeakPolarHBondContact CE2-O 3.33Å; Y269-A307 PolarHBondContact OH-O 2.69Å; Y269-A307 VanDerWaalsContact OH-O 3.09Å; Y269-R310 PolarHBondContact OH-NH2 3.43Å; Y269-T311 WeakPolarHBondContact CE2-OG1 3.46Å; Y269-T311 PolarHBondContact OH-OG1 2.91Å |
| 270 | E | 89.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | -177.4 | -164.7 | 57.9 | -139.4 | 0 | 0 | 111.6 | T231 V232 I266 V267 S273 A274 | T231-E270 WeakPolarHBondContact OG1-CG 3.41Å; V232-E270 HydrophobicContact CG2-CG 3.6Å; V232-E270 WeakPolarHBondContact CG2-OE1 3.36Å; I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 PolarHBondContact O-N 3.38Å; V267-E270 PolarHBondContact O-N 2.93Å; E270-S273 PolarHBondContact O-N 3.5Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.07Å |
| 271 | A | 89.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I256 C259 L260 V267 Y269 A274 L275 | I256-A271 HydrophobicContact CG2-CB 3.87Å; C259-A271 HydrophobicContact CB-CB 3.65Å; L260-A271 HydrophobicContact CD2-CB 3.86Å; L260-A271 HydrophobicContact CG-CB 4.4Å; V267-A271 VanDerWaalsContact O-CB 3.24Å; V267-A271 WeakPolarHBondContact O-CB 3.03Å; V267-A271 PolarHBondContact O-N 2.66Å; Y269-A271 VanDerWaalsContact C-N 3.33Å; Y269-A271 PolarHBondContact O-N 3.28Å; A271-A274 PolarHBondContact O-N 3.13Å; A271-L275 WeakPolarHBondContact O-CG 3.19Å; A271-L275 PolarHBondContact O-N 3.14Å |
| 272 | A | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L260 V268 Y269 A274 L275 I276 A289 V292 L293 | L260-A272 HydrophobicContact CD2-CB 3.9Å; V268-A272 PolarHBondContact O-N 2.99Å; Y269-A272 PolarHBondContact O-N 2.91Å; A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.19Å; A272-L275 PolarHBondContact O-N 3.43Å; A272-I276 WeakPolarHBondContact O-CB 3.3Å; A272-I276 WeakPolarHBondContact O-CD1 3.45Å; A272-I276 WeakPolarHBondContact O-CG1 3.16Å; A272-I276 PolarHBondContact O-N 3.48Å; A272-I276 VanDerWaalsContact O-N 3.14Å; A272-A289 HydrophobicContact CB-CB 4.23Å; A272-V292 HydrophobicContact CB-CG1 4.42Å; A272-L293 HydrophobicContact CB-CD2 4.14Å; A272-L293 HydrophobicContact CB-CG 4.21Å |
| 273 | S | 88.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | Y269 E270 I276 R277 | Y269-S273 WeakPolarHBondContact O-CB 3.15Å; Y269-S273 PolarHBondContact O-N 3.36Å; E270-S273 PolarHBondContact O-N 3.5Å; S273-I276 PolarHBondContact O-N 3.25Å; S273-R277 WeakPolarHBondContact O-CG 3.28Å; S273-R277 PolarHBondContact O-N 2.89Å; S273-R277 PolarHBondContact OG-NE 2.63Å |
| 274 | A | 84.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I256 E270 A271 A272 R277 L278 | I256-A274 HydrophobicContact CD1-CB 4.27Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.07Å; A271-A274 PolarHBondContact O-N 3.13Å; A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.19Å; A274-R277 PolarHBondContact O-N 3.02Å; A274-L278 WeakPolarHBondContact O-CG 3.38Å |
| 275 | L | 85.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 175.5 | -71.9 | 173.5 | 0 | 0 | 0 | 111.5 | L253 I256 L260 A271 A272 R277 L278 I281 E285 A289 | L253-L275 HydrophobicContact CD2-CD2 4.36Å; I256-L275 HydrophobicContact CB-CD2 4.31Å; I256-L275 HydrophobicContact CG2-CD1 4.2Å; I256-L275 HydrophobicContact CG2-CD2 3.8Å; I256-L275 HydrophobicContact CG2-CG 3.65Å; L260-L275 HydrophobicContact CD1-CD1 3.74Å; L260-L275 HydrophobicContact CD2-CD1 4.28Å; L260-L275 HydrophobicContact CG-CD1 4.23Å; A271-L275 WeakPolarHBondContact O-CG 3.19Å; A271-L275 PolarHBondContact O-N 3.14Å; A272-L275 PolarHBondContact O-N 3.43Å; L275-R277 VanDerWaalsContact C-N 3.26Å; L275-R277 PolarHBondContact O-N 3.32Å; L275-L278 HydrophobicContact CD2-CD1 4.12Å; L275-L278 VanDerWaalsContact O-CB 3.32Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 VanDerWaalsContact O-CG 3.26Å; L275-L278 WeakPolarHBondContact O-CG 3.25Å; L275-L278 PolarHBondContact O-N 2.81Å; L275-L278 VanDerWaalsContact O-N 3.1Å; L275-I281 HydrophobicContact CB-CD1 4.39Å; L275-I281 WeakPolarHBondContact O-CD1 3.14Å; L275-E285 HydrophobicContact CD2-CB 4.43Å; L275-A289 HydrophobicContact CB-CB 4.21Å; L275-A289 HydrophobicContact CD1-CB 4.24Å |
| 276 | I | 85 | Confident | 85.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -33.4 | -177.7 | -78.5 | 164.5 | 0 | 0 | 0 | 113.1 | A272 S273 L278 A289 L293 T311 V315 | A272-I276 WeakPolarHBondContact O-CB 3.3Å; A272-I276 WeakPolarHBondContact O-CD1 3.45Å; A272-I276 WeakPolarHBondContact O-CG1 3.16Å; A272-I276 PolarHBondContact O-N 3.48Å; A272-I276 VanDerWaalsContact O-N 3.14Å; S273-I276 PolarHBondContact O-N 3.25Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.31Å; I276-A289 HydrophobicContact CD1-CB 4.06Å; I276-A289 HydrophobicContact CG1-CB 3.98Å; I276-L293 HydrophobicContact CD1-CD1 3.32Å; I276-L293 HydrophobicContact CD1-CG 4.49Å; I276-T311 HydrophobicContact CD1-CG2 3.74Å; I276-T311 HydrophobicContact CG2-CG2 4.34Å; I276-V315 HydrophobicContact CB-CG2 4.22Å; I276-V315 HydrophobicContact CD1-CG2 3.75Å; I276-V315 HydrophobicContact CG1-CG2 4.01Å; I276-V315 HydrophobicContact CG2-CB 4.42Å; I276-V315 HydrophobicContact CG2-CG2 3.21Å |
| 277 | R | 81.5 | Confident | 85.1 | Confident | 139 Ų | 139 | 43 Ų | 43 | 53% | 0.525 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.4 | -179.8 | -70.2 | 175.6 | -173 | -125.8 | 0.7 | 113.2 | L235 L239 S273 A274 L275 | L235-R277 HydrophobicContact CD1-CB 3.56Å; L235-R277 HydrophobicContact CD1-CG 4.5Å; L239-R277 WeakPolarHBondContact CD2-O 3.18Å; S273-R277 WeakPolarHBondContact O-CG 3.28Å; S273-R277 PolarHBondContact O-N 2.89Å; S273-R277 PolarHBondContact OG-NE 2.63Å; A274-R277 PolarHBondContact O-N 3.02Å; L275-R277 VanDerWaalsContact C-N 3.26Å; L275-R277 PolarHBondContact O-N 3.32Å |
| 278 | L | 78 | Confident | 85.1 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | trans | -66.8 | 134.2 | 176.6 | -61.6 | 174.2 | 0 | 0 | 0 | 110.6 | R238 L253 A274 L275 I276 N280 I281 | R238-L278 HydrophobicContact CB-CD2 3.63Å; R238-L278 HydrophobicContact CG-CD2 4.23Å; L253-L278 HydrophobicContact CD2-CD1 3.73Å; A274-L278 WeakPolarHBondContact O-CG 3.38Å; L275-L278 HydrophobicContact CD2-CD1 4.12Å; L275-L278 VanDerWaalsContact O-CB 3.32Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 VanDerWaalsContact O-CG 3.26Å; L275-L278 WeakPolarHBondContact O-CG 3.25Å; L275-L278 PolarHBondContact O-N 2.81Å; L275-L278 VanDerWaalsContact O-N 3.1Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.31Å; L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 3.16Å; L278-I281 HydrophobicContact CB-CB 4.38Å | ||
| 279 | P | 72.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.6 | -179.1 | 24.7 | -33.5 | 0 | 0 | 0 | 112.3 | ||
| 280 | N | 72.2 | Confident | 85.1 | Confident | 132 Ų | 132 | 43.4 Ų | 43.4 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 52.3 | -176.9 | -65.6 | -27.2 | 0 | 0 | 0 | 111.9 | L278 | L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 3.16Å |
| 281 | I | 79 | Confident | 85.3 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | trans | -65.7 | 133.8 | 179.1 | -165.7 | 177.6 | 0 | 0 | 0 | 111.6 | L275 L278 E285 L286 Y319 | L275-I281 HydrophobicContact CB-CD1 4.39Å; L275-I281 WeakPolarHBondContact O-CD1 3.14Å; L278-I281 HydrophobicContact CB-CB 4.38Å; I281-E285 HydrophobicContact CD1-CB 4.35Å; I281-E285 HydrophobicContact CG1-CB 3.88Å; I281-L286 HydrophobicContact CD1-CB 3.76Å; I281-L286 HydrophobicContact CD1-CD1 3.95Å; I281-L286 HydrophobicContact CD1-CG 4.45Å; I281-L286 HydrophobicContact CG1-CB 4.24Å; I281-Y319 HydrophobicContact CG2-CE2 3.92Å | ||
| 282 | T | 82.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | trans | -77.8 | 152.9 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | K284 E285 L286 | T282-K284 PolarHBondContact O-N 2.86Å; T282-K284 VanDerWaalsContact O-N 3.12Å; T282-E285 WeakPolarHBondContact CB-OE2 3.33Å; T282-E285 PolarHBondContact N-OE2 2.91Å; T282-E285 PolarHBondContact O-N 2.75Å; T282-E285 VanDerWaalsContact O-N 3.15Å; T282-E285 VanDerWaalsContact OG1-CG 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.31Å; T282-E285 PolarHBondContact OG1-N 3.05Å; T282-E285 PolarHBondContact OG1-OE2 2.81Å; T282-L286 PolarHBondContact O-N 2.78Å | ||
| 283 | S | 84.6 | Confident | 85.5 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 75% | 0.748 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58 | -29.7 | 178.3 | -49 | 0 | 0 | 0 | 0 | 113.3 | A287 | S283-A287 WeakPolarHBondContact O-CB 3.06Å; S283-A287 PolarHBondContact O-N 3.29Å |
| 284 | K | 86 | Confident | 85.7 | Confident | 152 Ų | 152 | 48.9 Ų | 48.9 | 66% | 0.661 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.2 | -49.5 | 176.5 | -176.4 | -170.6 | 172.4 | -161.5 | 0 | 111.4 | T282 L286 A287 S288 | T282-K284 PolarHBondContact O-N 2.86Å; T282-K284 VanDerWaalsContact O-N 3.12Å; K284-L286 VanDerWaalsContact C-N 3.33Å; K284-A287 PolarHBondContact O-N 2.77Å; K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 3.33Å |
| 285 | E | 84.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.2 | -69.5 | 158.9 | 159.3 | 0 | 0 | 111.2 | L275 I281 T282 S288 A289 | L275-E285 HydrophobicContact CD2-CB 4.43Å; I281-E285 HydrophobicContact CD1-CB 4.35Å; I281-E285 HydrophobicContact CG1-CB 3.88Å; T282-E285 WeakPolarHBondContact CB-OE2 3.33Å; T282-E285 PolarHBondContact N-OE2 2.91Å; T282-E285 PolarHBondContact O-N 2.75Å; T282-E285 VanDerWaalsContact O-N 3.15Å; T282-E285 VanDerWaalsContact OG1-CG 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.31Å; T282-E285 PolarHBondContact OG1-N 3.05Å; T282-E285 PolarHBondContact OG1-OE2 2.81Å; E285-S288 PolarHBondContact O-N 3.48Å; E285-A289 WeakPolarHBondContact O-CB 3.2Å; E285-A289 PolarHBondContact O-N 3.1Å |
| 286 | L | 88.1 | Confident | 86.6 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 174.5 | -176.3 | 61.3 | 0 | 0 | 0 | 111.2 | I281 T282 K284 S288 A289 V290 V315 Y319 A322 | I281-L286 HydrophobicContact CD1-CB 3.76Å; I281-L286 HydrophobicContact CD1-CD1 3.95Å; I281-L286 HydrophobicContact CD1-CG 4.45Å; I281-L286 HydrophobicContact CG1-CB 4.24Å; T282-L286 PolarHBondContact O-N 2.78Å; K284-L286 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 3.2Å; L286-A289 PolarHBondContact O-N 3.34Å; L286-V290 HydrophobicContact CD1-CG2 4.02Å; L286-V290 HydrophobicContact CG-CG2 4.34Å; L286-V290 WeakPolarHBondContact O-CB 3.35Å; L286-V290 VanDerWaalsContact O-CG2 3.24Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 2.78Å; L286-V315 HydrophobicContact CD1-CG1 4.16Å; L286-Y319 HydrophobicContact CD1-CD2 4.46Å; L286-Y319 HydrophobicContact CD2-CD1 4.15Å; L286-Y319 HydrophobicContact CD2-CD2 4.27Å; L286-Y319 HydrophobicContact CD2-CG 3.86Å; L286-A322 HydrophobicContact CD2-CB 3.63Å; L286-A322 HydrophobicContact CG-CB 4.03Å |
| 287 | A | 90.3 | Very high | 87 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 49% | 0.488 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S283 K284 S291 | S283-A287 WeakPolarHBondContact O-CB 3.06Å; S283-A287 PolarHBondContact O-N 3.29Å; K284-A287 PolarHBondContact O-N 2.77Å; A287-S291 VanDerWaalsContact O-CB 3.3Å; A287-S291 WeakPolarHBondContact O-CB 3.4Å; A287-S291 PolarHBondContact O-N 3.41Å |
| 288 | S | 90.6 | Very high | 87.4 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.6 | -67.5 | 0 | 0 | 0 | 0 | 112 | K284 E285 L286 S291 V292 | K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 3.33Å; E285-S288 PolarHBondContact O-N 3.48Å; L286-S288 PolarHBondContact O-N 3.2Å; S288-S291 PolarHBondContact O-N 3.46Å; S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 2.95Å |
| 289 | A | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A272 L275 I276 E285 L286 S291 V292 L293 | A272-A289 HydrophobicContact CB-CB 4.23Å; L275-A289 HydrophobicContact CB-CB 4.21Å; L275-A289 HydrophobicContact CD1-CB 4.24Å; I276-A289 HydrophobicContact CD1-CB 4.06Å; I276-A289 HydrophobicContact CG1-CB 3.98Å; E285-A289 WeakPolarHBondContact O-CB 3.2Å; E285-A289 PolarHBondContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.34Å; A289-S291 PolarHBondContact O-N 3.48Å; A289-V292 PolarHBondContact O-N 3.37Å; A289-L293 WeakPolarHBondContact O-CG 3.39Å; A289-L293 PolarHBondContact O-N 2.95Å; A289-L293 VanDerWaalsContact O-N 3.07Å |
| 290 | V | 92.4 | Very high | 89 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L286 V292 L293 Q294 L312 C326 | L286-V290 HydrophobicContact CD1-CG2 4.02Å; L286-V290 HydrophobicContact CG-CG2 4.34Å; L286-V290 WeakPolarHBondContact O-CB 3.35Å; L286-V290 VanDerWaalsContact O-CG2 3.24Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 2.78Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.39Å; V290-L293 PolarHBondContact O-N 3.42Å; V290-Q294 WeakPolarHBondContact O-CB 3.4Å; V290-Q294 PolarHBondContact O-N 3.19Å; V290-L312 HydrophobicContact CG1-CD2 4.41Å; V290-C326 VanDerWaalsContact CG1-SG 3.54Å |
| 291 | S | 92.7 | Very high | 90 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | A287 S288 A289 Q294 L295 | A287-S291 VanDerWaalsContact O-CB 3.3Å; A287-S291 WeakPolarHBondContact O-CB 3.4Å; A287-S291 PolarHBondContact O-N 3.41Å; S288-S291 PolarHBondContact O-N 3.46Å; A289-S291 PolarHBondContact O-N 3.48Å; S291-Q294 WeakPolarHBondContact O-CB 3.3Å; S291-Q294 PolarHBondContact O-N 3.03Å; S291-L295 PolarHBondContact O-N 2.79Å; S291-L295 VanDerWaalsContact O-N 3.16Å |
| 292 | V | 92.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 175.6 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | L260 V268 A272 S288 A289 V290 Q294 L295 F296 | L260-V292 HydrophobicContact CB-CG2 4.34Å; L260-V292 HydrophobicContact CD2-CG2 4.36Å; V268-V292 HydrophobicContact CG1-CG1 3.23Å; A272-V292 HydrophobicContact CB-CG1 4.42Å; S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 2.95Å; A289-V292 PolarHBondContact O-N 3.37Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.39Å; V292-Q294 VanDerWaalsContact C-N 3.3Å; V292-Q294 PolarHBondContact O-N 3.24Å; V292-L295 WeakPolarHBondContact O-CB 3.47Å; V292-L295 PolarHBondContact O-N 2.8Å; V292-F296 HydrophobicContact CG1-CE2 4.21Å; V292-F296 HydrophobicContact CG1-CZ 4.32Å; V292-F296 PolarHBondContact O-N 2.85Å; V292-F296 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 176.9 | -66.1 | 177.7 | 0 | 0 | 0 | 111.9 | Y269 A272 I276 A289 V290 L295 F296 C297 S308 T311 L312 | Y269-L293 HydrophobicContact CD2-CD2 4.08Å; Y269-L293 HydrophobicContact CE2-CD2 4.19Å; A272-L293 HydrophobicContact CB-CD2 4.14Å; A272-L293 HydrophobicContact CB-CG 4.21Å; I276-L293 HydrophobicContact CD1-CD1 3.32Å; I276-L293 HydrophobicContact CD1-CG 4.49Å; A289-L293 WeakPolarHBondContact O-CG 3.39Å; A289-L293 PolarHBondContact O-N 2.95Å; A289-L293 VanDerWaalsContact O-N 3.07Å; V290-L293 PolarHBondContact O-N 3.42Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L293-F296 WeakPolarHBondContact O-CB 3.28Å; L293-F296 PolarHBondContact O-N 2.73Å; L293-F296 VanDerWaalsContact O-N 3.13Å; L293-C297 PolarHBondContact O-N 2.8Å; L293-C297 VanDerWaalsContact O-N 3.08Å; L293-C297 PolarHBondContact O-SG 3.23Å; L293-C297 VanDerWaalsContact O-SG 3.37Å; L293-S308 WeakPolarHBondContact O-CB 3.32Å; L293-T311 HydrophobicContact CD1-CG2 3.73Å; L293-L312 HydrophobicContact CB-CD1 4.36Å; L293-L312 HydrophobicContact CB-CD2 3.96Å; L293-L312 HydrophobicContact CB-CG 4.1Å; L293-L312 HydrophobicContact CD1-CD2 3.86Å; L293-L312 HydrophobicContact CD1-CG 4.16Å |
| 294 | Q | 93.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 173.3 | -171.4 | 178.2 | 8.2 | 0 | 0 | 111.4 | V290 S291 V292 F296 C297 A325 C326 D329 | V290-Q294 WeakPolarHBondContact O-CB 3.4Å; V290-Q294 PolarHBondContact O-N 3.19Å; S291-Q294 WeakPolarHBondContact O-CB 3.3Å; S291-Q294 PolarHBondContact O-N 3.03Å; V292-Q294 VanDerWaalsContact C-N 3.3Å; V292-Q294 PolarHBondContact O-N 3.24Å; Q294-F296 VanDerWaalsContact C-N 3.26Å; Q294-F296 PolarHBondContact O-N 3.23Å; Q294-C297 VanDerWaalsContact O-CB 3.31Å; Q294-C297 WeakPolarHBondContact O-CB 3.33Å; Q294-C297 PolarHBondContact O-N 3.18Å; Q294-C297 VanDerWaalsContact O-N 3.12Å; Q294-A325 PolarHBondContact NE2-O 3.14Å; Q294-C326 HydrophobicContact CG-CB 4.39Å; Q294-D329 VanDerWaalsContact CG-OD2 3.26Å; Q294-D329 WeakPolarHBondContact CG-OD2 3.27Å; Q294-D329 PolarHBondContact NE2-OD2 3.13Å |
| 295 | L | 93.1 | Very high | 92 | Very high | 118 Ų | 118 | 45.4 Ų | 45.4 | 62% | 0.618 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -35.7 | 174.5 | -177.6 | 65.4 | 0 | 0 | 0 | 112.1 | S291 V292 L293 C297 S298 | S291-L295 PolarHBondContact O-N 2.79Å; S291-L295 VanDerWaalsContact O-N 3.16Å; V292-L295 WeakPolarHBondContact O-CB 3.47Å; V292-L295 PolarHBondContact O-N 2.8Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L295-C297 VanDerWaalsContact C-N 3.34Å; L295-S298 PolarHBondContact O-N 3.33Å; L295-S298 PolarHBondContact O-OG 3.44Å; L295-S298 VanDerWaalsContact O-OG 3.06Å |
| 296 | F | 94 | Very high | 92.5 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.1 | -25.7 | 176.1 | -72.2 | -10.9 | 0 | 0 | 0 | 113.8 | E265 V268 Y269 V292 L293 Q294 S298 S299 L304 | E265-F296 HydrophobicContact CB-CZ 4.41Å; V268-F296 HydrophobicContact CB-CZ 3.99Å; V268-F296 HydrophobicContact CG1-CE1 4.41Å; V268-F296 HydrophobicContact CG1-CE2 4.1Å; V268-F296 HydrophobicContact CG1-CZ 3.57Å; Y269-F296 HydrophobicContact CD2-CD2 4.39Å; Y269-F296 HydrophobicContact CD2-CE2 4.43Å; V292-F296 HydrophobicContact CG1-CE2 4.21Å; V292-F296 HydrophobicContact CG1-CZ 4.32Å; V292-F296 PolarHBondContact O-N 2.85Å; V292-F296 VanDerWaalsContact O-N 3.13Å; L293-F296 WeakPolarHBondContact O-CB 3.28Å; L293-F296 PolarHBondContact O-N 2.73Å; L293-F296 VanDerWaalsContact O-N 3.13Å; Q294-F296 VanDerWaalsContact C-N 3.26Å; Q294-F296 PolarHBondContact O-N 3.23Å; F296-S298 VanDerWaalsContact C-N 3.27Å; F296-S298 PolarHBondContact O-N 2.76Å; F296-S299 WeakPolarHBondContact O-CB 3.43Å; F296-S299 PolarHBondContact O-N 2.81Å; F296-S299 VanDerWaalsContact O-N 3.17Å; F296-L304 HydrophobicContact CB-CB 4.44Å; F296-L304 HydrophobicContact CD1-CD1 4.36Å; F296-L304 HydrophobicContact CE1-CD1 4.47Å; F296-L304 HydrophobicContact CE2-CD2 4.49Å |
| 297 | C | 92.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 172.7 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | L293 Q294 L295 S299 R305 S308 D329 L333 | L293-C297 PolarHBondContact O-N 2.8Å; L293-C297 VanDerWaalsContact O-N 3.08Å; L293-C297 PolarHBondContact O-SG 3.23Å; L293-C297 VanDerWaalsContact O-SG 3.37Å; Q294-C297 VanDerWaalsContact O-CB 3.31Å; Q294-C297 WeakPolarHBondContact O-CB 3.33Å; Q294-C297 PolarHBondContact O-N 3.18Å; Q294-C297 VanDerWaalsContact O-N 3.12Å; L295-C297 VanDerWaalsContact C-N 3.34Å; C297-S299 VanDerWaalsContact C-N 3.34Å; C297-R305 VanDerWaalsContact O-CD 3.23Å; C297-R305 WeakPolarHBondContact O-CD 3.15Å; C297-R305 WeakPolarHBondContact O-CG 3.49Å; C297-S308 PolarHBondContact N-OG 3.11Å; C297-S308 PolarHBondContact SG-OG 3.48Å; C297-S308 VanDerWaalsContact SG-OG 3.33Å; C297-D329 HydrophobicContact CB-CB 4.13Å; C297-L333 HydrophobicContact CB-CD1 3.9Å |
| 298 | S | 91.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.7 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | L295 F296 | L295-S298 PolarHBondContact O-N 3.33Å; L295-S298 PolarHBondContact O-OG 3.44Å; L295-S298 VanDerWaalsContact O-OG 3.06Å; F296-S298 VanDerWaalsContact C-N 3.27Å; F296-S298 PolarHBondContact O-N 2.76Å |
| 299 | S | 92.4 | Very high | 93 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -67.2 | 146.2 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | F296 C297 K301 R305 | F296-S299 WeakPolarHBondContact O-CB 3.43Å; F296-S299 PolarHBondContact O-N 2.81Å; F296-S299 VanDerWaalsContact O-N 3.17Å; C297-S299 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 PolarHBondContact OG-N 2.81Å; S299-R305 WeakPolarHBondContact O-CD 3.36Å; S299-R305 WeakPolarHBondContact O-CG 3.49Å; S299-R305 PolarHBondContact O-NH1 3.31Å | ||
| 300 | S | 91.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 48.1 Ų | 48.1 | 80% | 0.797 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -68.7 | -18.8 | 171.5 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | R305 | S300-R305 PolarHBondContact O-NH1 3.37Š|
| 301 | K | 93.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | trans | -86.9 | 114.7 | -177.9 | -65.8 | 171.7 | 178.2 | 166.4 | 0 | 111.1 | E265 S299 V303 L304 R305 | E265-K301 IonicContact OE1-NZ 3.99Å; E265-K301 PolarHBondContact OE1-NZ 2.94Å; E265-K301 IonicContact OE2-NZ 3.87Å; E265-K301 PolarHBondContact OE2-NZ 2.88Å; S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 PolarHBondContact OG-N 2.81Å; K301-V303 PolarHBondContact O-N 3.12Å; K301-V303 VanDerWaalsContact O-N 3.16Å; K301-L304 HydrophobicContact CB-CB 4.34Å; K301-L304 HydrophobicContact CB-CD1 4.18Å; K301-L304 HydrophobicContact CB-CG 4.16Å; K301-L304 HydrophobicContact CD-CD1 3.87Å; K301-L304 HydrophobicContact CD-CG 4.39Å; K301-L304 PolarHBondContact O-N 3.44Å; K301-R305 PolarHBondContact O-N 3.07Å | ||
| 302 | A | 92.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.7 | -35.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L304 R305 F306 | A302-L304 PolarHBondContact O-N 3.29Å; A302-R305 PolarHBondContact O-N 3.47Å; A302-F306 WeakPolarHBondContact O-CB 3.45Å; A302-F306 PolarHBondContact O-N 3.44Å |
| 303 | V | 93.7 | Very high | 92.9 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 70% | 0.703 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.6 | -40 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | K301 A307 | K301-V303 PolarHBondContact O-N 3.12Å; K301-V303 VanDerWaalsContact O-N 3.16Å; V303-A307 WeakPolarHBondContact O-CB 3.28Å; V303-A307 PolarHBondContact O-N 3.28Å |
| 304 | L | 93.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 178.2 | -69.1 | -179.4 | 0 | 0 | 0 | 111.5 | E265 F296 K301 A302 F306 A307 S308 | E265-L304 HydrophobicContact CB-CD1 4.31Å; E265-L304 HydrophobicContact CB-CD2 4.15Å; E265-L304 HydrophobicContact CG-CD1 4.18Å; F296-L304 HydrophobicContact CB-CB 4.44Å; F296-L304 HydrophobicContact CD1-CD1 4.36Å; F296-L304 HydrophobicContact CE1-CD1 4.47Å; F296-L304 HydrophobicContact CE2-CD2 4.49Å; K301-L304 HydrophobicContact CB-CB 4.34Å; K301-L304 HydrophobicContact CB-CD1 4.18Å; K301-L304 HydrophobicContact CB-CG 4.16Å; K301-L304 HydrophobicContact CD-CD1 3.87Å; K301-L304 HydrophobicContact CD-CG 4.39Å; K301-L304 PolarHBondContact O-N 3.44Å; A302-L304 PolarHBondContact O-N 3.29Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 3.02Å; L304-A307 PolarHBondContact O-N 3.41Å; L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 2.87Å; L304-S308 PolarHBondContact O-OG 3.3Å |
| 305 | R | 94.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 174.5 | -61.1 | -161.5 | -63.8 | -102.6 | 8.2 | 111.3 | C297 S299 S300 K301 A302 S308 V309 D336 V341 | C297-R305 VanDerWaalsContact O-CD 3.23Å; C297-R305 WeakPolarHBondContact O-CD 3.15Å; C297-R305 WeakPolarHBondContact O-CG 3.49Å; S299-R305 WeakPolarHBondContact O-CD 3.36Å; S299-R305 WeakPolarHBondContact O-CG 3.49Å; S299-R305 PolarHBondContact O-NH1 3.31Å; S300-R305 PolarHBondContact O-NH1 3.37Å; K301-R305 PolarHBondContact O-N 3.07Å; A302-R305 PolarHBondContact O-N 3.47Å; R305-S308 PolarHBondContact O-N 3.15Å; R305-S308 PolarHBondContact O-OG 3.45Å; R305-V309 WeakPolarHBondContact O-CG2 3.49Å; R305-V309 PolarHBondContact O-N 2.86Å; R305-D336 IonicContact CZ-OD2 3.32Å; R305-D336 IonicContact NE-OD2 2.68Å; R305-D336 PolarHBondContact NE-OD2 3.25Å; R305-D336 IonicContact NH2-OD1 3.65Å; R305-D336 IonicContact NH2-OD2 2.75Å; R305-D336 PolarHBondContact NH2-OD2 2.9Å; R305-V341 HydrophobicContact CB-CG1 4.29Å |
| 306 | F | 94.5 | Very high | 92 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 176 | 179 | -98.8 | 0 | 0 | 0 | 112.2 | A302 L304 S308 R310 V341 L344 | A302-F306 WeakPolarHBondContact O-CB 3.45Å; A302-F306 PolarHBondContact O-N 3.44Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 3.02Å; F306-S308 VanDerWaalsContact C-N 3.34Å; F306-S308 PolarHBondContact O-N 3.12Å; F306-R310 VanDerWaalsContact O-CB 3.24Å; F306-R310 WeakPolarHBondContact O-CB 3.46Å; F306-R310 PolarHBondContact O-N 3.29Å; F306-V341 HydrophobicContact CB-CG2 3.84Å; F306-V341 HydrophobicContact CD2-CG2 4.19Å; F306-L344 HydrophobicContact CD2-CD1 3.92Å; F306-L344 HydrophobicContact CE2-CD1 3.51Å; F306-L344 HydrophobicContact CZ-CD1 4.19Å |
| 307 | A | 93.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y269 V303 L304 T311 | Y269-A307 HydrophobicContact CD2-CB 4.02Å; Y269-A307 HydrophobicContact CE1-CB 4.23Å; Y269-A307 VanDerWaalsContact CE2-C 3.48Å; Y269-A307 HydrophobicContact CE2-CB 3.53Å; Y269-A307 VanDerWaalsContact CE2-O 3.24Å; Y269-A307 WeakPolarHBondContact CE2-O 3.33Å; Y269-A307 PolarHBondContact OH-O 2.69Å; Y269-A307 VanDerWaalsContact OH-O 3.09Å; V303-A307 WeakPolarHBondContact O-CB 3.28Å; V303-A307 PolarHBondContact O-N 3.28Å; L304-A307 PolarHBondContact O-N 3.41Å; A307-T311 PolarHBondContact O-N 3.42Å; A307-T311 VanDerWaalsContact O-N 3.15Å; A307-T311 PolarHBondContact O-OG1 2.73Å; A307-T311 VanDerWaalsContact O-OG1 3.08Å |
| 308 | S | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -50.7 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | L293 C297 L304 R305 F306 R310 T311 L312 | L293-S308 WeakPolarHBondContact O-CB 3.32Å; C297-S308 PolarHBondContact N-OG 3.11Å; C297-S308 PolarHBondContact SG-OG 3.48Å; C297-S308 VanDerWaalsContact SG-OG 3.33Å; L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 2.87Å; L304-S308 PolarHBondContact O-OG 3.3Å; R305-S308 PolarHBondContact O-N 3.15Å; R305-S308 PolarHBondContact O-OG 3.45Å; F306-S308 VanDerWaalsContact C-N 3.34Å; F306-S308 PolarHBondContact O-N 3.12Å; S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.04Å; S308-T311 PolarHBondContact O-N 3.42Å; S308-L312 WeakPolarHBondContact O-CG 3.32Å; S308-L312 PolarHBondContact O-N 3Å |
| 309 | V | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | R305 T311 L312 S313 L330 L333 V341 L344 A345 | R305-V309 WeakPolarHBondContact O-CG2 3.49Å; R305-V309 PolarHBondContact O-N 2.86Å; V309-T311 PolarHBondContact O-N 3.04Å; V309-L312 PolarHBondContact O-N 2.68Å; V309-S313 WeakPolarHBondContact O-CB 3.44Å; V309-S313 PolarHBondContact O-N 3.01Å; V309-L330 HydrophobicContact CG1-CD2 4.09Å; V309-L330 HydrophobicContact CG2-CD2 3.99Å; V309-L333 HydrophobicContact CG2-CD1 3.42Å; V309-L333 VanDerWaalsContact CG2-CD1 3.42Å; V309-V341 HydrophobicContact CG2-CG1 4.36Å; V309-L344 HydrophobicContact CB-CB 4.43Å; V309-L344 VanDerWaalsContact CG1-C 3.49Å; V309-L344 HydrophobicContact CG1-CB 3.54Å; V309-A345 HydrophobicContact CG1-CB 4.19Å |
| 310 | R | 92.7 | Very high | 90.4 | Very high | 118 Ų | 118 | 52 Ų | 52 | 45% | 0.445 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.2 | -172.6 | -177.3 | 68.5 | 161.1 | 0.7 | 112.1 | Y269 F306 S308 T314 L344 | Y269-R310 PolarHBondContact OH-NH2 3.43Å; F306-R310 VanDerWaalsContact O-CB 3.24Å; F306-R310 WeakPolarHBondContact O-CB 3.46Å; F306-R310 PolarHBondContact O-N 3.29Å; S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.04Å; R310-T314 PolarHBondContact O-N 3.29Å; R310-T314 PolarHBondContact O-OG1 3.19Å; R310-L344 HydrophobicContact CB-CD1 4.05Å |
| 311 | T | 91.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68 | -45.1 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111 | Y269 I276 L293 A307 S308 V309 S313 T314 V315 | Y269-T311 WeakPolarHBondContact CE2-OG1 3.46Å; Y269-T311 PolarHBondContact OH-OG1 2.91Å; I276-T311 HydrophobicContact CD1-CG2 3.74Å; I276-T311 HydrophobicContact CG2-CG2 4.34Å; L293-T311 HydrophobicContact CD1-CG2 3.73Å; A307-T311 PolarHBondContact O-N 3.42Å; A307-T311 VanDerWaalsContact O-N 3.15Å; A307-T311 PolarHBondContact O-OG1 2.73Å; A307-T311 VanDerWaalsContact O-OG1 3.08Å; S308-T311 PolarHBondContact O-N 3.42Å; V309-T311 PolarHBondContact O-N 3.04Å; T311-S313 VanDerWaalsContact C-N 3.29Å; T311-S313 PolarHBondContact O-N 2.88Å; T311-T314 WeakPolarHBondContact O-CB 3.35Å; T311-T314 PolarHBondContact O-N 3.4Å; T311-T314 VanDerWaalsContact O-N 3.08Å; T311-V315 HydrophobicContact CG2-CG2 4.42Å; T311-V315 WeakPolarHBondContact O-CG2 3.35Å; T311-V315 PolarHBondContact O-N 3.01Å |
| 312 | L | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | 176.4 | -69.9 | 173.2 | 0 | 0 | 0 | 112.2 | V290 L293 S308 V309 T314 V315 A316 V323 C326 L330 T348 | V290-L312 HydrophobicContact CG1-CD2 4.41Å; L293-L312 HydrophobicContact CB-CD1 4.36Å; L293-L312 HydrophobicContact CB-CD2 3.96Å; L293-L312 HydrophobicContact CB-CG 4.1Å; L293-L312 HydrophobicContact CD1-CD2 3.86Å; L293-L312 HydrophobicContact CD1-CG 4.16Å; S308-L312 WeakPolarHBondContact O-CG 3.32Å; S308-L312 PolarHBondContact O-N 3Å; V309-L312 PolarHBondContact O-N 2.68Å; L312-T314 VanDerWaalsContact C-N 3.28Å; L312-T314 PolarHBondContact O-N 3.11Å; L312-V315 PolarHBondContact O-N 3.39Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.22Å; L312-V323 HydrophobicContact CB-CG1 4.14Å; L312-V323 HydrophobicContact CD2-CG1 4.21Å; L312-V323 HydrophobicContact CD2-CG2 4.46Å; L312-C326 HydrophobicContact CD1-CB 4.42Å; L312-L330 HydrophobicContact CD1-CD2 4.42Å; L312-T348 HydrophobicContact CB-CG2 4.42Å |
| 313 | S | 88.8 | Confident | 89.7 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 175.6 | -161.2 | 0 | 0 | 0 | 0 | 112.7 | V309 T311 T348 | V309-S313 WeakPolarHBondContact O-CB 3.44Å; V309-S313 PolarHBondContact O-N 3.01Å; T311-S313 VanDerWaalsContact C-N 3.29Å; T311-S313 PolarHBondContact O-N 2.88Å; S313-T348 WeakPolarHBondContact CA-OG1 3.24Å; S313-T348 WeakPolarHBondContact CB-OG1 3.44Å; S313-T348 PolarHBondContact OG-OG1 3.35Å |
| 314 | T | 86.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 41.9 Ų | 41.9 | 52% | 0.521 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70 | -40.9 | 175.3 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | R310 T311 L312 | R310-T314 PolarHBondContact O-N 3.29Å; R310-T314 PolarHBondContact O-OG1 3.19Å; T311-T314 WeakPolarHBondContact O-CB 3.35Å; T311-T314 PolarHBondContact O-N 3.4Å; T311-T314 VanDerWaalsContact O-N 3.08Å; L312-T314 VanDerWaalsContact C-N 3.28Å; L312-T314 PolarHBondContact O-N 3.11Å |
| 315 | V | 87.5 | Confident | 89.1 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | I276 L286 T311 L312 N317 N318 Y319 V323 | I276-V315 HydrophobicContact CB-CG2 4.22Å; I276-V315 HydrophobicContact CD1-CG2 3.75Å; I276-V315 HydrophobicContact CG1-CG2 4.01Å; I276-V315 HydrophobicContact CG2-CB 4.42Å; I276-V315 HydrophobicContact CG2-CG2 3.21Å; L286-V315 HydrophobicContact CD1-CG1 4.16Å; T311-V315 HydrophobicContact CG2-CG2 4.42Å; T311-V315 WeakPolarHBondContact O-CG2 3.35Å; T311-V315 PolarHBondContact O-N 3.01Å; L312-V315 PolarHBondContact O-N 3.39Å; V315-N317 PolarHBondContact O-N 3.39Å; V315-N317 VanDerWaalsContact O-N 3.08Å; V315-N318 PolarHBondContact O-N 3.19Å; V315-Y319 HydrophobicContact CG1-CD2 4.22Å; V315-Y319 PolarHBondContact O-N 3.11Å; V315-V323 HydrophobicContact CB-CG2 3.81Å; V315-V323 HydrophobicContact CG1-CG2 3.66Å |
| 316 | A | 86.8 | Confident | 89 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L312 V323 T348 K351 T352 | L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.22Å; A316-V323 HydrophobicContact CB-CG2 4.4Å; A316-T348 HydrophobicContact CB-CG2 4.18Å; A316-K351 HydrophobicContact CB-CB 4.01Å; A316-K351 HydrophobicContact CB-CD 4.37Å; A316-T352 HydrophobicContact CB-CG2 3.71Å |
| 317 | N | 81.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 40.6 Ų | 40.6 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -37.5 | 174.6 | -65.9 | -20.4 | 0 | 0 | 0 | 112.3 | V315 K351 | V315-N317 PolarHBondContact O-N 3.39Å; V315-N317 VanDerWaalsContact O-N 3.08Å; N317-K351 WeakPolarHBondContact OD1-CD 3.43Å; N317-K351 WeakPolarHBondContact OD1-CE 3.06Å; N317-K351 PolarHBondContact OD1-NZ 3.32Å |
| 318 | N | 83.9 | Confident | 88.6 | Confident | 120 Ų | 120 | 44.8 Ų | 44.8 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -36.9 | -173.1 | -63 | -10.5 | 0 | 0 | 0 | 112.5 | V315 | V315-N318 PolarHBondContact O-N 3.19Š|
| 319 | Y | 86.7 | Confident | 88.5 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | trans | -132 | 61.3 | -174.2 | -54 | -74.5 | 0 | 0 | 0 | 112.2 | I281 L286 V315 A321 A322 V323 | I281-Y319 HydrophobicContact CG2-CE2 3.92Å; L286-Y319 HydrophobicContact CD1-CD2 4.46Å; L286-Y319 HydrophobicContact CD2-CD1 4.15Å; L286-Y319 HydrophobicContact CD2-CD2 4.27Å; L286-Y319 HydrophobicContact CD2-CG 3.86Å; V315-Y319 HydrophobicContact CG1-CD2 4.22Å; V315-Y319 PolarHBondContact O-N 3.11Å; Y319-A321 VanDerWaalsContact C-N 3.26Å; Y319-A321 PolarHBondContact O-N 2.7Å; Y319-A322 PolarHBondContact O-N 2.75Å; Y319-A322 VanDerWaalsContact O-N 3.15Å; Y319-V323 PolarHBondContact O-N 3.11Å | ||
| 320 | P | 84.4 | Confident | 88.4 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.4 | -35.1 | -175.2 | 21.9 | -33.1 | 0 | 0 | 0 | 113.3 | A322 V323 A324 | P320-A322 VanDerWaalsContact C-N 3.34Å; P320-A322 PolarHBondContact O-N 2.79Å; P320-V323 PolarHBondContact O-N 2.97Å; P320-A324 PolarHBondContact O-N 3.43Å |
| 321 | A | 86 | Confident | 88.2 | Confident | 88 Ų | 88 | 43.1 Ų | 43.1 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -33.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y319 | Y319-A321 VanDerWaalsContact C-N 3.26Å; Y319-A321 PolarHBondContact O-N 2.7Å |
| 322 | A | 88.2 | Confident | 88.1 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L286 Y319 P320 A324 | L286-A322 HydrophobicContact CD2-CB 3.63Å; L286-A322 HydrophobicContact CG-CB 4.03Å; Y319-A322 PolarHBondContact O-N 2.75Å; Y319-A322 VanDerWaalsContact O-N 3.15Å; P320-A322 VanDerWaalsContact C-N 3.34Å; P320-A322 PolarHBondContact O-N 2.79Å; A322-A324 VanDerWaalsContact C-N 3.33Å |
| 323 | V | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -25.5 | 179.3 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | L312 V315 A316 Y319 P320 A325 C326 L330 T348 T352 | L312-V323 HydrophobicContact CB-CG1 4.14Å; L312-V323 HydrophobicContact CD2-CG1 4.21Å; L312-V323 HydrophobicContact CD2-CG2 4.46Å; V315-V323 HydrophobicContact CB-CG2 3.81Å; V315-V323 HydrophobicContact CG1-CG2 3.66Å; A316-V323 HydrophobicContact CB-CG2 4.4Å; Y319-V323 PolarHBondContact O-N 3.11Å; P320-V323 PolarHBondContact O-N 2.97Å; V323-A325 PolarHBondContact O-N 2.92Å; V323-A325 VanDerWaalsContact O-N 3.08Å; V323-C326 WeakPolarHBondContact O-CB 3.05Å; V323-C326 PolarHBondContact O-N 2.65Å; V323-L330 HydrophobicContact CG1-CD1 4.45Å; V323-T348 HydrophobicContact CG1-CG2 3.92Å; V323-T352 HydrophobicContact CB-CG2 3.69Å; V323-T352 HydrophobicContact CG1-CG2 3.69Å |
| 324 | A | 87.7 | Confident | 88 | Confident | 37 Ų | 37 | 49 Ų | 49 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -56.4 | -26.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P320 A322 C326 N327 | P320-A324 PolarHBondContact O-N 3.43Å; A322-A324 VanDerWaalsContact C-N 3.33Å; A324-C326 PolarHBondContact O-N 2.94Å; A324-N327 WeakPolarHBondContact O-CB 3.46Å; A324-N327 PolarHBondContact O-N 2.71Å; A324-N327 VanDerWaalsContact O-N 3.15Å; A324-N327 PolarHBondContact O-ND2 3.21Å |
| 325 | A | 87.4 | Confident | 88.1 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 56% | 0.562 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -61.8 | -22.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q294 V323 | Q294-A325 PolarHBondContact NE2-O 3.14Å; V323-A325 PolarHBondContact O-N 2.92Å; V323-A325 VanDerWaalsContact O-N 3.08Å |
| 326 | C | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -94.4 | 2.4 | 178.8 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | V290 Q294 L312 V323 A324 V328 D329 L330 | V290-C326 VanDerWaalsContact CG1-SG 3.54Å; Q294-C326 HydrophobicContact CG-CB 4.39Å; L312-C326 HydrophobicContact CD1-CB 4.42Å; V323-C326 WeakPolarHBondContact O-CB 3.05Å; V323-C326 PolarHBondContact O-N 2.65Å; A324-C326 PolarHBondContact O-N 2.94Å; C326-V328 VanDerWaalsContact C-N 3.27Å; C326-V328 PolarHBondContact O-N 2.81Å; C326-D329 PolarHBondContact O-N 2.92Å; C326-D329 VanDerWaalsContact O-N 3.15Å; C326-L330 HydrophobicContact CB-CD1 4.37Å; C326-L330 HydrophobicContact CB-CG 4.47Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 2.88Å |
| 327 | N | 90.2 | Very high | 88.3 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.1 | -38 | -173.8 | -76.5 | -5.4 | 0 | 0 | 0 | 112.6 | A324 D329 L330 E331 L349 T352 | A324-N327 WeakPolarHBondContact O-CB 3.46Å; A324-N327 PolarHBondContact O-N 2.71Å; A324-N327 VanDerWaalsContact O-N 3.15Å; A324-N327 PolarHBondContact O-ND2 3.21Å; N327-D329 PolarHBondContact O-N 3.48Å; N327-L330 PolarHBondContact O-N 2.98Å; N327-E331 WeakPolarHBondContact O-CG 3.45Å; N327-E331 PolarHBondContact O-N 3Å; N327-L349 HydrophobicContact CB-CD2 3.99Å; N327-T352 PolarHBondContact ND2-O 3.35Å; N327-T352 WeakPolarHBondContact OD1-CB 3.47Å; N327-T352 PolarHBondContact OD1-OG1 3.19Å |
| 328 | V | 89.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 53.6 Ų | 53.6 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | C326 Q332 | C326-V328 VanDerWaalsContact C-N 3.27Å; C326-V328 PolarHBondContact O-N 2.81Å; V328-Q332 PolarHBondContact O-N 3.36Å |
| 329 | D | 91.5 | Very high | 88.8 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 177.3 | -58.5 | -78.6 | 0 | 0 | 0 | 111.2 | Q294 C297 C326 N327 E331 Q332 L333 | Q294-D329 VanDerWaalsContact CG-OD2 3.26Å; Q294-D329 WeakPolarHBondContact CG-OD2 3.27Å; Q294-D329 PolarHBondContact NE2-OD2 3.13Å; C297-D329 HydrophobicContact CB-CB 4.13Å; C326-D329 PolarHBondContact O-N 2.92Å; C326-D329 VanDerWaalsContact O-N 3.15Å; N327-D329 PolarHBondContact O-N 3.48Å; D329-E331 VanDerWaalsContact C-N 3.34Å; D329-E331 PolarHBondContact O-N 3.05Å; D329-Q332 PolarHBondContact O-N 3.45Å; D329-L333 WeakPolarHBondContact O-CG 3.48Å; D329-L333 PolarHBondContact O-N 3.01Å |
| 330 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 177 | -68.6 | 171.6 | 0 | 0 | 0 | 112.1 | V309 L312 V323 C326 N327 Q332 L333 I334 A345 T348 L349 | V309-L330 HydrophobicContact CG1-CD2 4.09Å; V309-L330 HydrophobicContact CG2-CD2 3.99Å; L312-L330 HydrophobicContact CD1-CD2 4.42Å; V323-L330 HydrophobicContact CG1-CD1 4.45Å; C326-L330 HydrophobicContact CB-CD1 4.37Å; C326-L330 HydrophobicContact CB-CG 4.47Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 2.88Å; N327-L330 PolarHBondContact O-N 2.98Å; L330-Q332 VanDerWaalsContact C-N 3.31Å; L330-Q332 PolarHBondContact O-N 3.19Å; L330-L333 WeakPolarHBondContact O-CB 3.13Å; L330-L333 PolarHBondContact O-N 3.41Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L330-I334 PolarHBondContact O-N 3.24Å; L330-A345 HydrophobicContact CD2-CB 4.41Å; L330-T348 HydrophobicContact CD1-CG2 3.68Å; L330-L349 HydrophobicContact CB-CD1 4.1Å; L330-L349 HydrophobicContact CB-CD2 3.72Å; L330-L349 HydrophobicContact CB-CG 3.76Å; L330-L349 HydrophobicContact CD1-CD2 4.37Å |
| 331 | E | 88.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 175.8 | -79.2 | -178.5 | -167.3 | 0 | 0 | 111.8 | N327 D329 L333 I334 L349 H360 L361 | N327-E331 WeakPolarHBondContact O-CG 3.45Å; N327-E331 PolarHBondContact O-N 3Å; D329-E331 VanDerWaalsContact C-N 3.34Å; D329-E331 PolarHBondContact O-N 3.05Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 PolarHBondContact O-N 2.83Å; E331-I334 WeakPolarHBondContact O-CB 3.42Å; E331-I334 WeakPolarHBondContact O-CG1 3.36Å; E331-I334 PolarHBondContact O-N 2.94Å; E331-L349 HydrophobicContact CG-CD1 3.9Å; E331-L349 HydrophobicContact CG-CD2 3.99Å; E331-H360 IonicContact OE2-CE1 3.6Å; E331-L361 HydrophobicContact CG-CD2 4.09Å |
| 332 | Q | 89.8 | Confident | 89.3 | Confident | 118 Ų | 118 | 43.5 Ų | 43.5 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.7 | -35.1 | 174.7 | -64.7 | 174 | 17.3 | 0 | 0 | 111.7 | V328 D329 L330 I334 S335 | V328-Q332 PolarHBondContact O-N 3.36Å; D329-Q332 PolarHBondContact O-N 3.45Å; L330-Q332 VanDerWaalsContact C-N 3.31Å; L330-Q332 PolarHBondContact O-N 3.19Å; Q332-I334 VanDerWaalsContact C-N 3.27Å; Q332-I334 PolarHBondContact O-N 3.08Å; Q332-S335 PolarHBondContact O-N 3.18Å; Q332-S335 PolarHBondContact O-OG 2.78Å |
| 333 | L | 91.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.8 | -11.4 | -179.4 | -65.1 | 179.3 | 0 | 0 | 0 | 114.5 | C297 V309 D329 L330 E331 S335 D336 V341 A342 A345 | C297-L333 HydrophobicContact CB-CD1 3.9Å; V309-L333 HydrophobicContact CG2-CD1 3.42Å; V309-L333 VanDerWaalsContact CG2-CD1 3.42Å; D329-L333 WeakPolarHBondContact O-CG 3.48Å; D329-L333 PolarHBondContact O-N 3.01Å; L330-L333 WeakPolarHBondContact O-CB 3.13Å; L330-L333 PolarHBondContact O-N 3.41Å; L330-L333 VanDerWaalsContact O-N 3.14Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 PolarHBondContact O-N 2.83Å; L333-S335 PolarHBondContact O-N 3.22Å; L333-D336 HydrophobicContact CD2-CB 4.47Å; L333-D336 VanDerWaalsContact O-CB 3.23Å; L333-D336 WeakPolarHBondContact O-CB 3.4Å; L333-D336 PolarHBondContact O-N 3.18Å; L333-V341 HydrophobicContact CB-CG1 4.33Å; L333-V341 HydrophobicContact CD1-CG1 4.3Å; L333-V341 HydrophobicContact CD2-CG1 4.3Å; L333-A342 WeakPolarHBondContact O-CA 3.39Å; L333-A342 WeakPolarHBondContact O-CB 3.4Å; L333-A345 HydrophobicContact CB-CB 3.85Å |
| 334 | I | 88.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.4 | 170.1 | -60.7 | 175.5 | 0 | 0 | 0 | 110.3 | L330 E331 Q332 A342 I346 L349 Q364 F368 | L330-I334 PolarHBondContact O-N 3.24Å; E331-I334 WeakPolarHBondContact O-CB 3.42Å; E331-I334 WeakPolarHBondContact O-CG1 3.36Å; E331-I334 PolarHBondContact O-N 2.94Å; Q332-I334 VanDerWaalsContact C-N 3.27Å; Q332-I334 PolarHBondContact O-N 3.08Å; I334-A342 WeakPolarHBondContact O-CB 3.48Å; I334-I346 HydrophobicContact CG1-CG1 4.07Å; I334-I346 HydrophobicContact CG2-CD1 4.24Å; I334-I346 HydrophobicContact CG2-CG1 4.26Å; I334-L349 HydrophobicContact CD1-CD1 3.65Å; I334-L349 HydrophobicContact CG1-CD1 3.9Å; I334-Q364 HydrophobicContact CD1-CB 4.34Å; I334-F368 HydrophobicContact CG2-CB 4.44Å |
| 335 | S | 87.9 | Confident | 89.4 | Confident | 105 Ų | 105 | 42.4 Ų | 42.4 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9.4 | 178.7 | 69 | 0 | 0 | 0 | 0 | 114.5 | Q332 L333 | Q332-S335 PolarHBondContact O-N 3.18Å; Q332-S335 PolarHBondContact O-OG 2.78Å; L333-S335 PolarHBondContact O-N 3.22Å |
| 336 | D | 89.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | trans | -64.2 | 138.2 | -178.5 | -167.1 | -74.9 | 0 | 0 | 0 | 111.1 | R305 L333 N338 V341 | R305-D336 IonicContact CZ-OD2 3.32Å; R305-D336 IonicContact NE-OD2 2.68Å; R305-D336 PolarHBondContact NE-OD2 3.25Å; R305-D336 IonicContact NH2-OD1 3.65Å; R305-D336 IonicContact NH2-OD2 2.75Å; R305-D336 PolarHBondContact NH2-OD2 2.9Å; L333-D336 HydrophobicContact CD2-CB 4.47Å; L333-D336 VanDerWaalsContact O-CB 3.23Å; L333-D336 WeakPolarHBondContact O-CB 3.4Å; L333-D336 PolarHBondContact O-N 3.18Å; D336-N338 PolarHBondContact O-N 2.85Å; D336-N338 VanDerWaalsContact O-N 3.16Å; D336-N338 WeakPolarHBondContact OD1-CA 3.4Å; D336-N338 VanDerWaalsContact OD1-CB 3.25Å; D336-N338 WeakPolarHBondContact OD1-CB 3.26Å; D336-N338 PolarHBondContact OD1-N 3.45Å; D336-V341 HydrophobicContact CB-CB 4.3Å; D336-V341 HydrophobicContact CB-CG1 4.14Å | ||
| 337 | P | 88.8 | Confident | 89.2 | Confident | 114 Ų | 114 | 39.6 Ų | 39.6 | 74% | 0.74 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -60.4 | -25.2 | 177.8 | 24.7 | -36.3 | 0 | 0 | 0 | 113.3 | R339 | P337-R339 PolarHBondContact O-N 3.18Š|
| 338 | N | 89.1 | Confident | 89.1 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -84.8 | 107.3 | 174.3 | -172.8 | -26 | 0 | 0 | 0 | 110.4 | D336 S340 V341 A342 | D336-N338 PolarHBondContact O-N 2.85Å; D336-N338 VanDerWaalsContact O-N 3.16Å; D336-N338 WeakPolarHBondContact OD1-CA 3.4Å; D336-N338 VanDerWaalsContact OD1-CB 3.25Å; D336-N338 WeakPolarHBondContact OD1-CB 3.26Å; D336-N338 PolarHBondContact OD1-N 3.45Å; N338-S340 PolarHBondContact O-N 3.3Å; N338-S340 VanDerWaalsContact O-N 3.15Å; N338-S340 WeakPolarHBondContact OD1-CB 3.45Å; N338-S340 PolarHBondContact OD1-N 3.15Å; N338-V341 HydrophobicContact CB-CB 4.23Å; N338-V341 HydrophobicContact CB-CG2 3.83Å; N338-V341 WeakPolarHBondContact O-CB 3.5Å; N338-V341 PolarHBondContact O-N 3.05Å; N338-A342 PolarHBondContact O-N 3.21Å; N338-A342 VanDerWaalsContact O-N 3.11Å |
| 339 | R | 86.5 | Confident | 89.1 | Confident | 94 Ų | 94 | 33.6 Ų | 33.6 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57 | -31.4 | -179.7 | -56.8 | -56.5 | -178.4 | 168.4 | 1.1 | 113.6 | P337 T343 E371 | P337-R339 PolarHBondContact O-N 3.18Å; R339-T343 WeakPolarHBondContact O-CB 3.18Å; R339-T343 PolarHBondContact O-N 3.08Å; R339-T343 PolarHBondContact O-OG1 2.88Å; R339-E371 IonicContact CZ-OE2 3.11Å; R339-E371 IonicContact NH1-OE2 3.96Å; R339-E371 PolarHBondContact NH1-OE2 2.94Å; R339-E371 IonicContact NH2-OE2 2.7Å; R339-E371 PolarHBondContact NH2-OE2 3.42Å |
| 340 | S | 88 | Confident | 88.8 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 30% | 0.301 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.4 | -36.1 | 176.5 | -50 | 0 | 0 | 0 | 0 | 111.9 | N338 L344 | N338-S340 PolarHBondContact O-N 3.3Å; N338-S340 VanDerWaalsContact O-N 3.15Å; N338-S340 WeakPolarHBondContact OD1-CB 3.45Å; N338-S340 PolarHBondContact OD1-N 3.15Å; S340-L344 WeakPolarHBondContact O-CB 3.46Å; S340-L344 VanDerWaalsContact O-CG 3.29Å; S340-L344 WeakPolarHBondContact O-CG 3.47Å; S340-L344 PolarHBondContact O-N 2.89Å |
| 341 | V | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -49.5 | 174.8 | 178 | 0 | 0 | 0 | 0 | 109.9 | R305 F306 V309 L333 D336 N338 T343 L344 A345 | R305-V341 HydrophobicContact CB-CG1 4.29Å; F306-V341 HydrophobicContact CB-CG2 3.84Å; F306-V341 HydrophobicContact CD2-CG2 4.19Å; V309-V341 HydrophobicContact CG2-CG1 4.36Å; L333-V341 HydrophobicContact CB-CG1 4.33Å; L333-V341 HydrophobicContact CD1-CG1 4.3Å; L333-V341 HydrophobicContact CD2-CG1 4.3Å; D336-V341 HydrophobicContact CB-CB 4.3Å; D336-V341 HydrophobicContact CB-CG1 4.14Å; N338-V341 HydrophobicContact CB-CB 4.23Å; N338-V341 HydrophobicContact CB-CG2 3.83Å; N338-V341 WeakPolarHBondContact O-CB 3.5Å; N338-V341 PolarHBondContact O-N 3.05Å; V341-T343 PolarHBondContact O-N 3.07Å; V341-L344 PolarHBondContact O-N 3.03Å; V341-A345 WeakPolarHBondContact O-CB 3.22Å; V341-A345 PolarHBondContact O-N 2.93Å |
| 342 | A | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L333 I334 N338 L344 A345 I346 F368 | L333-A342 WeakPolarHBondContact O-CA 3.39Å; L333-A342 WeakPolarHBondContact O-CB 3.4Å; I334-A342 WeakPolarHBondContact O-CB 3.48Å; N338-A342 PolarHBondContact O-N 3.21Å; N338-A342 VanDerWaalsContact O-N 3.11Å; A342-L344 PolarHBondContact O-N 3.11Å; A342-A345 WeakPolarHBondContact O-CB 3.26Å; A342-A345 PolarHBondContact O-N 2.92Å; A342-I346 VanDerWaalsContact O-CG1 3.31Å; A342-I346 WeakPolarHBondContact O-CG1 3.31Å; A342-I346 PolarHBondContact O-N 3.35Å; A342-F368 HydrophobicContact CB-CD2 4.16Å; A342-F368 HydrophobicContact CB-CE1 4.29Å; A342-F368 HydrophobicContact CB-CE2 3.27Å; A342-F368 HydrophobicContact CB-CZ 3.35Å |
| 343 | T | 86.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112 | R339 V341 A345 I346 T347 F376 | R339-T343 WeakPolarHBondContact O-CB 3.18Å; R339-T343 PolarHBondContact O-N 3.08Å; R339-T343 PolarHBondContact O-OG1 2.88Å; V341-T343 PolarHBondContact O-N 3.07Å; T343-A345 VanDerWaalsContact C-N 3.32Å; T343-A345 PolarHBondContact O-N 3.4Å; T343-I346 PolarHBondContact O-N 2.91Å; T343-T347 WeakPolarHBondContact O-CB 3.43Å; T343-T347 PolarHBondContact O-N 3.05Å; T343-T347 PolarHBondContact O-OG1 3.17Å; T343-F376 HydrophobicContact CG2-CB 4.02Å; T343-F376 HydrophobicContact CG2-CD1 3.78Å; T343-F376 HydrophobicContact CG2-CG 4.21Å |
| 344 | L | 88.8 | Confident | 87.3 | Confident | 40 Ų | 40 | 28.3 Ų | 28.3 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | 175.9 | -70.9 | 171.7 | 0 | 0 | 0 | 111.6 | F306 V309 R310 S340 V341 A342 T347 T348 | F306-L344 HydrophobicContact CD2-CD1 3.92Å; F306-L344 HydrophobicContact CE2-CD1 3.51Å; F306-L344 HydrophobicContact CZ-CD1 4.19Å; V309-L344 HydrophobicContact CB-CB 4.43Å; V309-L344 VanDerWaalsContact CG1-C 3.49Å; V309-L344 HydrophobicContact CG1-CB 3.54Å; R310-L344 HydrophobicContact CB-CD1 4.05Å; S340-L344 WeakPolarHBondContact O-CB 3.46Å; S340-L344 VanDerWaalsContact O-CG 3.29Å; S340-L344 WeakPolarHBondContact O-CG 3.47Å; S340-L344 PolarHBondContact O-N 2.89Å; V341-L344 PolarHBondContact O-N 3.03Å; A342-L344 PolarHBondContact O-N 3.11Å; L344-T347 PolarHBondContact O-N 3.44Å; L344-T348 WeakPolarHBondContact O-CB 3.31Å; L344-T348 PolarHBondContact O-N 3.48Å; L344-T348 PolarHBondContact O-OG1 3.39Å |
| 345 | A | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V309 L330 L333 V341 A342 T343 T348 L349 | V309-A345 HydrophobicContact CG1-CB 4.19Å; L330-A345 HydrophobicContact CD2-CB 4.41Å; L333-A345 HydrophobicContact CB-CB 3.85Å; V341-A345 WeakPolarHBondContact O-CB 3.22Å; V341-A345 PolarHBondContact O-N 2.93Å; A342-A345 WeakPolarHBondContact O-CB 3.26Å; A342-A345 PolarHBondContact O-N 2.92Å; T343-A345 VanDerWaalsContact C-N 3.32Å; T343-A345 PolarHBondContact O-N 3.4Å; A345-T348 PolarHBondContact O-N 3.42Å; A345-L349 WeakPolarHBondContact O-CB 3.45Å; A345-L349 WeakPolarHBondContact O-CG 3.36Å; A345-L349 PolarHBondContact O-N 3.35Å |
| 346 | I | 87.5 | Confident | 87 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 174 | -69.2 | 169 | 0 | 0 | 0 | 110.7 | I334 A342 T343 T348 L349 L350 I365 F368 V380 | I334-I346 HydrophobicContact CG1-CG1 4.07Å; I334-I346 HydrophobicContact CG2-CD1 4.24Å; I334-I346 HydrophobicContact CG2-CG1 4.26Å; A342-I346 VanDerWaalsContact O-CG1 3.31Å; A342-I346 WeakPolarHBondContact O-CG1 3.31Å; A342-I346 PolarHBondContact O-N 3.35Å; T343-I346 PolarHBondContact O-N 2.91Å; I346-T348 PolarHBondContact O-N 2.91Å; I346-L349 PolarHBondContact O-N 3.29Å; I346-L350 HydrophobicContact CG2-CD1 3.84Å; I346-L350 HydrophobicContact CG2-CG 4.32Å; I346-L350 VanDerWaalsContact O-CG 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.27Å; I346-L350 PolarHBondContact O-N 2.97Å; I346-I365 HydrophobicContact CD1-CG1 4.27Å; I346-I365 HydrophobicContact CG1-CG1 4.07Å; I346-I365 HydrophobicContact CG2-CD1 3.71Å; I346-I365 HydrophobicContact CG2-CG1 3.86Å; I346-I365 HydrophobicContact CG2-CG2 4.26Å; I346-F368 HydrophobicContact CD1-CB 4.21Å; I346-F368 HydrophobicContact CD1-CD1 3.12Å; I346-F368 HydrophobicContact CD1-CE1 3.51Å; I346-F368 HydrophobicContact CD1-CG 3.76Å; I346-F368 HydrophobicContact CD1-CZ 4.43Å; I346-V380 HydrophobicContact CG2-CG1 4.35Å; I346-V380 HydrophobicContact CG2-CG2 4.16Å |
| 347 | T | 85.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | -179.9 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | T343 L344 K351 V379 A383 | T343-T347 WeakPolarHBondContact O-CB 3.43Å; T343-T347 PolarHBondContact O-N 3.05Å; T343-T347 PolarHBondContact O-OG1 3.17Å; L344-T347 PolarHBondContact O-N 3.44Å; T347-K351 VanDerWaalsContact O-CG 3.3Å; T347-K351 WeakPolarHBondContact O-CG 3.33Å; T347-K351 PolarHBondContact O-N 3.13Å; T347-V379 HydrophobicContact CG2-CG1 4.29Å; T347-A383 HydrophobicContact CG2-CB 4.31Å |
| 348 | T | 88.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -45.4 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | L312 S313 A316 V323 L330 L344 A345 I346 L350 K351 T352 | L312-T348 HydrophobicContact CB-CG2 4.42Å; S313-T348 WeakPolarHBondContact CA-OG1 3.24Å; S313-T348 WeakPolarHBondContact CB-OG1 3.44Å; S313-T348 PolarHBondContact OG-OG1 3.35Å; A316-T348 HydrophobicContact CB-CG2 4.18Å; V323-T348 HydrophobicContact CG1-CG2 3.92Å; L330-T348 HydrophobicContact CD1-CG2 3.68Å; L344-T348 WeakPolarHBondContact O-CB 3.31Å; L344-T348 PolarHBondContact O-N 3.48Å; L344-T348 PolarHBondContact O-OG1 3.39Å; A345-T348 PolarHBondContact O-N 3.42Å; I346-T348 PolarHBondContact O-N 2.91Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 3.07Å; T348-K351 CarbonylContact O-C 3.42Å; T348-K351 WeakPolarHBondContact O-CA 3.43Å; T348-K351 WeakPolarHBondContact O-CB 3.39Å; T348-K351 PolarHBondContact O-N 2.98Å; T348-T352 HydrophobicContact CG2-CG2 4.37Å; T348-T352 WeakPolarHBondContact O-CG2 3.38Å; T348-T352 PolarHBondContact O-N 2.87Å; T348-T352 PolarHBondContact O-OG1 3.25Å; T348-T352 VanDerWaalsContact O-OG1 3.04Å |
| 349 | L | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.2 | -75.6 | 167.7 | 0 | 0 | 0 | 112.7 | N327 L330 E331 I334 A345 I346 K351 T352 G353 L361 | N327-L349 HydrophobicContact CB-CD2 3.99Å; L330-L349 HydrophobicContact CB-CD1 4.1Å; L330-L349 HydrophobicContact CB-CD2 3.72Å; L330-L349 HydrophobicContact CB-CG 3.76Å; L330-L349 HydrophobicContact CD1-CD2 4.37Å; E331-L349 HydrophobicContact CG-CD1 3.9Å; E331-L349 HydrophobicContact CG-CD2 3.99Å; I334-L349 HydrophobicContact CD1-CD1 3.65Å; I334-L349 HydrophobicContact CG1-CD1 3.9Å; A345-L349 WeakPolarHBondContact O-CB 3.45Å; A345-L349 WeakPolarHBondContact O-CG 3.36Å; A345-L349 PolarHBondContact O-N 3.35Å; I346-L349 PolarHBondContact O-N 3.29Å; L349-K351 PolarHBondContact O-N 3.46Å; L349-T352 PolarHBondContact O-N 3.16Å; L349-G353 VanDerWaalsContact O-CA 3.28Å; L349-G353 WeakPolarHBondContact O-CA 3.32Å; L349-G353 PolarHBondContact O-N 3.25Å; L349-L361 HydrophobicContact CB-CD2 4.18Å; L349-L361 HydrophobicContact CD1-CD2 3.99Å; L349-L361 HydrophobicContact CD2-CD2 4.44Å; L349-L361 HydrophobicContact CG-CD2 4.45Å |
| 350 | L | 85.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -28 | 173.9 | -67.6 | 173.4 | 0 | 0 | 0 | 111.5 | I346 T348 M362 I365 V380 A383 I384 L387 R390 | I346-L350 HydrophobicContact CG2-CD1 3.84Å; I346-L350 HydrophobicContact CG2-CG 4.32Å; I346-L350 VanDerWaalsContact O-CG 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.27Å; I346-L350 PolarHBondContact O-N 2.97Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 3.07Å; L350-M362 HydrophobicContact CD2-CE 3.44Å; L350-M362 VanDerWaalsContact CD2-CE 3.44Å; L350-I365 HydrophobicContact CD1-CD1 4.38Å; L350-I365 HydrophobicContact CD2-CD1 3.87Å; L350-I365 HydrophobicContact CG-CD1 4.2Å; L350-V380 HydrophobicContact CD1-CG1 4.35Å; L350-A383 HydrophobicContact CB-CB 3.97Å; L350-A383 HydrophobicContact CD1-CB 3.55Å; L350-A383 HydrophobicContact CG-CB 4.41Å; L350-I384 HydrophobicContact CD1-CG1 4.18Å; L350-L387 HydrophobicContact CD2-CD2 3.83Å; L350-R390 PolarHBondContact O-NH2 3.21Å |
| 351 | K | 82.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 24.3 Ų | 24.3 | 19% | 0.191 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82 | -28.7 | 174.7 | -69.8 | 174 | -178.7 | -170.5 | 0 | 113.6 | A316 N317 T347 T348 L349 R390 | A316-K351 HydrophobicContact CB-CB 4.01Å; A316-K351 HydrophobicContact CB-CD 4.37Å; N317-K351 WeakPolarHBondContact OD1-CD 3.43Å; N317-K351 WeakPolarHBondContact OD1-CE 3.06Å; N317-K351 PolarHBondContact OD1-NZ 3.32Å; T347-K351 VanDerWaalsContact O-CG 3.3Å; T347-K351 WeakPolarHBondContact O-CG 3.33Å; T347-K351 PolarHBondContact O-N 3.13Å; T348-K351 CarbonylContact O-C 3.42Å; T348-K351 WeakPolarHBondContact O-CA 3.43Å; T348-K351 WeakPolarHBondContact O-CB 3.39Å; T348-K351 PolarHBondContact O-N 2.98Å; L349-K351 PolarHBondContact O-N 3.46Å; K351-R390 PolarHBondContact O-NH1 3.01Å |
| 352 | T | 87.1 | Confident | 85.8 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -110 | -7 | -174.4 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | A316 V323 N327 T348 L349 | A316-T352 HydrophobicContact CB-CG2 3.71Å; V323-T352 HydrophobicContact CB-CG2 3.69Å; V323-T352 HydrophobicContact CG1-CG2 3.69Å; N327-T352 PolarHBondContact ND2-O 3.35Å; N327-T352 WeakPolarHBondContact OD1-CB 3.47Å; N327-T352 PolarHBondContact OD1-OG1 3.19Å; T348-T352 HydrophobicContact CG2-CG2 4.37Å; T348-T352 WeakPolarHBondContact O-CG2 3.38Å; T348-T352 PolarHBondContact O-N 2.87Å; T348-T352 PolarHBondContact O-OG1 3.25Å; T348-T352 VanDerWaalsContact O-OG1 3.04Å; L349-T352 PolarHBondContact O-N 3.16Å |
| 353 | G | 79.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -65.8 | 141.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L349 Y391 | L349-G353 VanDerWaalsContact O-CA 3.28Å; L349-G353 WeakPolarHBondContact O-CA 3.32Å; L349-G353 PolarHBondContact O-N 3.25Å; G353-Y391 WeakPolarHBondContact O-CE2 3.21Å; G353-Y391 PolarHBondContact O-OH 3.13Å | ||
| 354 | A | 82.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 37% | 0.372 | 19% | 0.188 | S | C | . | . | trans | -84.1 | 162.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S356 S357 | A354-S356 PolarHBondContact O-N 3.06Å; A354-S356 VanDerWaalsContact O-N 3.07Å; A354-S357 PolarHBondContact N-OG 2.89Å; A354-S357 PolarHBondContact O-N 3.13Å; A354-S357 PolarHBondContact O-OG 3.31Å | ||
| 355 | E | 83.7 | Confident | 85.3 | Confident | 71 Ų | 71 | 33.2 Ų | 33.2 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.8 | 178.4 | -168.7 | 178.5 | 176.6 | 0 | 0 | 112.9 | Y391 K393 K394 | E355-Y391 HydrophobicContact CB-CD1 3.83Å; E355-Y391 HydrophobicContact CB-CE1 3.97Å; E355-Y391 HydrophobicContact CB-CG 4.24Å; E355-Y391 HydrophobicContact CG-CD1 4.12Å; E355-Y391 HydrophobicContact CG-CG 4.33Å; E355-K393 WeakPolarHBondContact OE1-CB 3.3Å; E355-K394 HydrophobicContact CG-CG 3.83Å; E355-K394 WeakPolarHBondContact O-CE 3.35Å |
| 356 | S | 84.9 | Confident | 84.9 | Confident | 104 Ų | 104 | 36 Ų | 36 | 73% | 0.727 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -25.9 | 179.5 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | A354 | A354-S356 PolarHBondContact O-N 3.06Å; A354-S356 VanDerWaalsContact O-N 3.07Å |
| 357 | S | 83.7 | Confident | 84.5 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -14.1 | -177.1 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | A354 D359 H360 L361 | A354-S357 PolarHBondContact N-OG 2.89Å; A354-S357 PolarHBondContact O-N 3.13Å; A354-S357 PolarHBondContact O-OG 3.31Å; S357-D359 VanDerWaalsContact C-N 3.35Å; S357-D359 PolarHBondContact O-N 2.65Å; S357-H360 PolarHBondContact O-N 2.95Å; S357-H360 VanDerWaalsContact O-N 3.11Å; S357-L361 WeakPolarHBondContact O-CG 3.23Å; S357-L361 PolarHBondContact O-N 3.3Å |
| 358 | V | 84.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.3 | -48.4 | -175.1 | 178.3 | 0 | 0 | 0 | 0 | 112 | H360 L361 M362 L387 K394 L398 | V358-H360 VanDerWaalsContact C-N 3.3Å; V358-H360 PolarHBondContact O-N 2.91Å; V358-L361 PolarHBondContact O-N 3.39Å; V358-M362 HydrophobicContact CG1-CG 4.27Å; V358-M362 VanDerWaalsContact O-CG 3.27Å; V358-M362 WeakPolarHBondContact O-CG 3.4Å; V358-M362 PolarHBondContact O-N 3.46Å; V358-L387 HydrophobicContact CG1-CD2 4.13Å; V358-L387 HydrophobicContact CG2-CD1 4.42Å; V358-L387 HydrophobicContact CG2-CD2 4.23Å; V358-K394 HydrophobicContact CB-CG 4.48Å; V358-K394 HydrophobicContact CG1-CB 4.3Å; V358-L398 HydrophobicContact CG1-CD2 3.85Å; V358-L398 HydrophobicContact CG1-CG 4.38Å |
| 359 | D | 85.4 | Confident | 84 | Confident | 58 Ų | 58 | 39.8 Ų | 39.8 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.7 | -36.5 | -178.3 | -61.6 | -74.1 | 0 | 0 | 0 | 112.9 | S357 K363 K394 | S357-D359 VanDerWaalsContact C-N 3.35Å; S357-D359 PolarHBondContact O-N 2.65Å; D359-K363 WeakPolarHBondContact O-CG 3.21Å; D359-K394 IonicContact OD2-NZ 3.11Å; D359-K394 PolarHBondContact OD2-NZ 3.16Å |
| 360 | H | 85.4 | Confident | 83.6 | Confident | 93 Ų | 93 | 43.6 Ų | 43.6 | 43% | 0.431 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.4 | -47.2 | 177.9 | 176.5 | -92.5 | 0 | 0 | 0 | 111.2 | E331 S357 V358 M362 K363 Q364 | E331-H360 IonicContact OE2-CE1 3.6Å; S357-H360 PolarHBondContact O-N 2.95Å; S357-H360 VanDerWaalsContact O-N 3.11Å; V358-H360 VanDerWaalsContact C-N 3.3Å; V358-H360 PolarHBondContact O-N 2.91Å; H360-M362 VanDerWaalsContact C-N 3.34Å; H360-M362 PolarHBondContact O-N 2.75Å; H360-K363 PolarHBondContact O-N 2.84Å; H360-Q364 PolarHBondContact CE1-NE2 3.47Å; H360-Q364 PolarHBondContact CE1-OE1 3.29Å; H360-Q364 PolarHBondContact O-N 2.92Å |
| 361 | L | 84.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 179 | -71 | 170.8 | 0 | 0 | 0 | 111.4 | E331 L349 S357 V358 K363 Q364 I365 | E331-L361 HydrophobicContact CG-CD2 4.09Å; L349-L361 HydrophobicContact CB-CD2 4.18Å; L349-L361 HydrophobicContact CD1-CD2 3.99Å; L349-L361 HydrophobicContact CD2-CD2 4.44Å; L349-L361 HydrophobicContact CG-CD2 4.45Å; S357-L361 WeakPolarHBondContact O-CG 3.23Å; S357-L361 PolarHBondContact O-N 3.3Å; V358-L361 PolarHBondContact O-N 3.39Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 2.68Å; L361-Q364 PolarHBondContact O-N 3.06Å; L361-I365 HydrophobicContact CB-CD1 4.25Å; L361-I365 WeakPolarHBondContact O-CB 3.34Å; L361-I365 WeakPolarHBondContact O-CD1 3.24Å; L361-I365 WeakPolarHBondContact O-CG1 3.17Å; L361-I365 PolarHBondContact O-N 3.5Å |
| 362 | M | 85.6 | Confident | 83.4 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 178.4 | -70.7 | -60.5 | 99.4 | 0 | 0 | 112.6 | L350 V358 H360 I365 S366 L398 F401 | L350-M362 HydrophobicContact CD2-CE 3.44Å; L350-M362 VanDerWaalsContact CD2-CE 3.44Å; V358-M362 HydrophobicContact CG1-CG 4.27Å; V358-M362 VanDerWaalsContact O-CG 3.27Å; V358-M362 WeakPolarHBondContact O-CG 3.4Å; V358-M362 PolarHBondContact O-N 3.46Å; H360-M362 VanDerWaalsContact C-N 3.34Å; H360-M362 PolarHBondContact O-N 2.75Å; M362-I365 HydrophobicContact CE-CD1 3.71Å; M362-S366 PolarHBondContact O-N 3.14Å; M362-L398 HydrophobicContact CE-CD2 4.28Å; M362-L398 HydrophobicContact CG-CD2 3.95Å; M362-L398 HydrophobicContact SD-CD2 3.59Å; M362-L398 VanDerWaalsContact SD-CD2 3.59Å; M362-F401 HydrophobicContact CB-CD2 4.46Å; M362-F401 HydrophobicContact SD-CB 4.35Å; M362-F401 HydrophobicContact SD-CD1 3.76Å; M362-F401 HydrophobicContact SD-CD2 4.33Å; M362-F401 HydrophobicContact SD-CE1 4.11Å; M362-F401 HydrophobicContact SD-CG 3.88Å |
| 363 | K | 84.6 | Confident | 83.4 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 71% | 0.709 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 177 | -71.8 | 176.2 | -177.6 | 178.5 | 0 | 112.4 | D359 H360 L361 | D359-K363 WeakPolarHBondContact O-CG 3.21Å; H360-K363 PolarHBondContact O-N 2.84Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 2.68Å |
| 364 | Q | 83.9 | Confident | 83.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 179 | -68 | -178.2 | -39.3 | 0 | 0 | 112.3 | I334 H360 L361 S366 S367 | I334-Q364 HydrophobicContact CD1-CB 4.34Å; H360-Q364 PolarHBondContact CE1-NE2 3.47Å; H360-Q364 PolarHBondContact CE1-OE1 3.29Å; H360-Q364 PolarHBondContact O-N 2.92Å; L361-Q364 PolarHBondContact O-N 3.06Å; Q364-S366 VanDerWaalsContact C-N 3.29Å; Q364-S366 PolarHBondContact O-N 3.43Å; Q364-S367 PolarHBondContact O-N 3.35Å; Q364-S367 PolarHBondContact O-OG 3.1Å |
| 365 | I | 85.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 179.7 | -68.8 | 165 | 0 | 0 | 0 | 110.4 | I346 L350 L361 M362 S367 F368 V369 V380 F401 | I346-I365 HydrophobicContact CD1-CG1 4.27Å; I346-I365 HydrophobicContact CG1-CG1 4.07Å; I346-I365 HydrophobicContact CG2-CD1 3.71Å; I346-I365 HydrophobicContact CG2-CG1 3.86Å; I346-I365 HydrophobicContact CG2-CG2 4.26Å; L350-I365 HydrophobicContact CD1-CD1 4.38Å; L350-I365 HydrophobicContact CD2-CD1 3.87Å; L350-I365 HydrophobicContact CG-CD1 4.2Å; L361-I365 HydrophobicContact CB-CD1 4.25Å; L361-I365 WeakPolarHBondContact O-CB 3.34Å; L361-I365 WeakPolarHBondContact O-CD1 3.24Å; L361-I365 WeakPolarHBondContact O-CG1 3.17Å; L361-I365 PolarHBondContact O-N 3.5Å; M362-I365 HydrophobicContact CE-CD1 3.71Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 3.18Å; I365-F368 PolarHBondContact O-N 3.44Å; I365-V369 HydrophobicContact CG2-CG2 3.44Å; I365-V369 VanDerWaalsContact CG2-CG2 3.44Å; I365-V369 WeakPolarHBondContact O-CB 3.29Å; I365-V369 VanDerWaalsContact O-CG2 3.29Å; I365-V369 WeakPolarHBondContact O-CG2 3.47Å; I365-V369 PolarHBondContact O-N 3.35Å; I365-V380 HydrophobicContact CG2-CG1 4.17Å; I365-F401 HydrophobicContact CG2-CE1 4.48Å; I365-F401 HydrophobicContact CG2-CZ 3.98Å |
| 366 | S | 83.2 | Confident | 83.8 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.9 | -41.6 | 179.2 | -161.8 | 0 | 0 | 0 | 0 | 113.6 | M362 Q364 | M362-S366 PolarHBondContact O-N 3.14Å; Q364-S366 VanDerWaalsContact C-N 3.29Å; Q364-S366 PolarHBondContact O-N 3.43Å |
| 367 | S | 80.2 | Confident | 84 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.4 | -28.5 | 178.6 | 49 | 0 | 0 | 0 | 0 | 113.1 | Q364 I365 S370 | Q364-S367 PolarHBondContact O-N 3.35Å; Q364-S367 PolarHBondContact O-OG 3.1Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 3.18Å; S367-S370 PolarHBondContact O-OG 3.45Å |
| 368 | F | 81.1 | Confident | 84.2 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -81.4 | -39.8 | -178.9 | 178.7 | -95.8 | 0 | 0 | 0 | 112.1 | I334 A342 I346 I365 S370 E371 I372 | I334-F368 HydrophobicContact CG2-CB 4.44Å; A342-F368 HydrophobicContact CB-CD2 4.16Å; A342-F368 HydrophobicContact CB-CE1 4.29Å; A342-F368 HydrophobicContact CB-CE2 3.27Å; A342-F368 HydrophobicContact CB-CZ 3.35Å; I346-F368 HydrophobicContact CD1-CB 4.21Å; I346-F368 HydrophobicContact CD1-CD1 3.12Å; I346-F368 HydrophobicContact CD1-CE1 3.51Å; I346-F368 HydrophobicContact CD1-CG 3.76Å; I346-F368 HydrophobicContact CD1-CZ 4.43Å; I365-F368 PolarHBondContact O-N 3.44Å; F368-S370 PolarHBondContact O-N 3.02Å; F368-E371 PolarHBondContact O-N 3.49Å; F368-I372 HydrophobicContact CD1-CD1 4.23Å; F368-I372 HydrophobicContact CD1-CG2 3.97Å; F368-I372 HydrophobicContact CE1-CB 4.48Å; F368-I372 HydrophobicContact CE1-CD1 3.98Å; F368-I372 HydrophobicContact CE1-CG1 4.5Å; F368-I372 HydrophobicContact CE1-CG2 3.33Å; F368-I372 HydrophobicContact CE2-CG2 4.04Å; F368-I372 HydrophobicContact CZ-CG2 3.36Å |
| 369 | V | 82.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -32 | -176.2 | 166.4 | 0 | 0 | 0 | 0 | 112.3 | I365 E371 I372 K377 V380 M405 | I365-V369 HydrophobicContact CG2-CG2 3.44Å; I365-V369 VanDerWaalsContact CG2-CG2 3.44Å; I365-V369 WeakPolarHBondContact O-CB 3.29Å; I365-V369 VanDerWaalsContact O-CG2 3.29Å; I365-V369 WeakPolarHBondContact O-CG2 3.47Å; I365-V369 PolarHBondContact O-N 3.35Å; V369-E371 PolarHBondContact O-N 2.82Å; V369-I372 VanDerWaalsContact O-CG1 3.25Å; V369-I372 WeakPolarHBondContact O-CG1 3.36Å; V369-K377 HydrophobicContact CG1-CD 4.37Å; V369-K377 HydrophobicContact CG1-CG 4.24Å; V369-K377 WeakPolarHBondContact O-CE 3.11Å; V369-V380 HydrophobicContact CG2-CG1 4.18Å; V369-M405 HydrophobicContact CG1-CE 3.46Å; V369-M405 VanDerWaalsContact CG1-CE 3.46Å; V369-M405 HydrophobicContact CG1-CG 4.34Å; V369-M405 HydrophobicContact CG1-SD 4.02Å |
| 370 | S | 80.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.2 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | S367 F368 | S367-S370 PolarHBondContact O-OG 3.45Å; F368-S370 PolarHBondContact O-N 3.02Å |
| 371 | E | 81.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -4.8 | -174.6 | -61.4 | -175 | 174.9 | 0 | 0 | 114.1 | R339 F368 V369 | R339-E371 IonicContact CZ-OE2 3.11Å; R339-E371 IonicContact NH1-OE2 3.96Å; R339-E371 PolarHBondContact NH1-OE2 2.94Å; R339-E371 IonicContact NH2-OE2 2.7Å; R339-E371 PolarHBondContact NH2-OE2 3.42Å; F368-E371 PolarHBondContact O-N 3.49Å; V369-E371 PolarHBondContact O-N 2.82Å |
| 372 | I | 83.2 | Confident | 84.5 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -103.5 | 159.1 | -176.4 | 56.2 | 171.2 | 0 | 0 | 0 | 112.6 | F368 V369 F376 K377 V380 | F368-I372 HydrophobicContact CD1-CD1 4.23Å; F368-I372 HydrophobicContact CD1-CG2 3.97Å; F368-I372 HydrophobicContact CE1-CB 4.48Å; F368-I372 HydrophobicContact CE1-CD1 3.98Å; F368-I372 HydrophobicContact CE1-CG1 4.5Å; F368-I372 HydrophobicContact CE1-CG2 3.33Å; F368-I372 HydrophobicContact CE2-CG2 4.04Å; F368-I372 HydrophobicContact CZ-CG2 3.36Å; V369-I372 VanDerWaalsContact O-CG1 3.25Å; V369-I372 WeakPolarHBondContact O-CG1 3.36Å; I372-F376 HydrophobicContact CB-CB 4.23Å; I372-F376 HydrophobicContact CD1-CB 3.83Å; I372-F376 HydrophobicContact CG1-CB 4.44Å; I372-K377 HydrophobicContact CD1-CG 3.84Å; I372-K377 HydrophobicContact CG1-CG 3.77Å; I372-K377 VanDerWaalsContact O-CE 3.31Å; I372-K377 WeakPolarHBondContact O-CE 3.19Å; I372-V380 HydrophobicContact CD1-CG2 4.48Å |
| 373 | S | 85.9 | Confident | 84.4 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | trans | -67.9 | 155.1 | 172.7 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | E375 F376 K377 | S373-E375 PolarHBondContact O-N 2.99Å; S373-F376 PolarHBondContact O-N 3.04Å; S373-F376 WeakPolarHBondContact OG-CD2 3.23Å; S373-K377 PolarHBondContact O-N 3.4Å | ||
| 374 | D | 86.9 | Confident | 84.5 | Confident | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -31.2 | -177.4 | -67 | -17.4 | 0 | 0 | 0 | 113.3 | F376 K377 V378 G410 C411 | D374-F376 VanDerWaalsContact C-N 3.32Å; D374-F376 PolarHBondContact O-N 2.86Å; D374-K377 WeakPolarHBondContact O-CB 3.49Å; D374-K377 PolarHBondContact O-N 3.47Å; D374-K377 VanDerWaalsContact O-N 3.12Å; D374-K377 IonicContact OD1-NZ 2.89Å; D374-K377 PolarHBondContact OD1-NZ 3.44Å; D374-V378 WeakPolarHBondContact O-CG2 3.26Å; D374-V378 PolarHBondContact O-N 2.89Å; D374-G410 WeakPolarHBondContact OD2-CA 3.19Å; D374-C411 HydrophobicContact CB-CB 4.45Å; D374-C411 VanDerWaalsContact CB-SG 3.56Å; D374-C411 WeakPolarHBondContact OD2-CB 3.17Å; D374-C411 PolarHBondContact OD2-N 2.64Å |
| 375 | E | 84.8 | Confident | 84.6 | Confident | 154 Ų | 154 | 47 Ų | 47 | 72% | 0.72 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 174.2 | -172.7 | 177.8 | -176.9 | 0 | 0 | 112.1 | S373 | S373-E375 PolarHBondContact O-N 2.99Å |
| 376 | F | 83.2 | Confident | 84.5 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74.6 | -32.4 | 175.5 | -67.4 | -58.3 | 0 | 0 | 0 | 112.2 | T343 I372 S373 D374 V378 V379 V380 | T343-F376 HydrophobicContact CG2-CB 4.02Å; T343-F376 HydrophobicContact CG2-CD1 3.78Å; T343-F376 HydrophobicContact CG2-CG 4.21Å; I372-F376 HydrophobicContact CB-CB 4.23Å; I372-F376 HydrophobicContact CD1-CB 3.83Å; I372-F376 HydrophobicContact CG1-CB 4.44Å; S373-F376 PolarHBondContact O-N 3.04Å; S373-F376 WeakPolarHBondContact OG-CD2 3.23Å; D374-F376 VanDerWaalsContact C-N 3.32Å; D374-F376 PolarHBondContact O-N 2.86Å; F376-V378 VanDerWaalsContact C-N 3.32Å; F376-V378 PolarHBondContact O-N 2.89Å; F376-V379 PolarHBondContact O-N 3.06Å; F376-V380 PolarHBondContact O-N 3.4Å |
| 377 | K | 87.9 | Confident | 84.6 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 176.1 | -61 | -178.1 | -171.3 | 154.6 | 0 | 111.4 | V369 I372 S373 D374 V379 V380 V381 Y414 | V369-K377 HydrophobicContact CG1-CD 4.37Å; V369-K377 HydrophobicContact CG1-CG 4.24Å; V369-K377 WeakPolarHBondContact O-CE 3.11Å; I372-K377 HydrophobicContact CD1-CG 3.84Å; I372-K377 HydrophobicContact CG1-CG 3.77Å; I372-K377 VanDerWaalsContact O-CE 3.31Å; I372-K377 WeakPolarHBondContact O-CE 3.19Å; S373-K377 PolarHBondContact O-N 3.4Å; D374-K377 WeakPolarHBondContact O-CB 3.49Å; D374-K377 PolarHBondContact O-N 3.47Å; D374-K377 VanDerWaalsContact O-N 3.12Å; D374-K377 IonicContact OD1-NZ 2.89Å; D374-K377 PolarHBondContact OD1-NZ 3.44Å; K377-V379 VanDerWaalsContact C-N 3.29Å; K377-V379 PolarHBondContact O-N 3.17Å; K377-V380 WeakPolarHBondContact O-CB 3.19Å; K377-V380 PolarHBondContact O-N 2.98Å; K377-V380 VanDerWaalsContact O-N 3.09Å; K377-V381 WeakPolarHBondContact O-CG2 3.04Å; K377-V381 PolarHBondContact O-N 3.15Å; K377-Y414 HydrophobicContact CB-CD2 3.55Å; K377-Y414 HydrophobicContact CB-CE2 3.43Å; K377-Y414 VanDerWaalsContact CB-CE2 3.43Å; K377-Y414 HydrophobicContact CB-CG 4.4Å; K377-Y414 HydrophobicContact CD-CD1 4.4Å; K377-Y414 HydrophobicContact CD-CD2 4.2Å; K377-Y414 HydrophobicContact CD-CE1 3.98Å; K377-Y414 HydrophobicContact CD-CE2 3.77Å; K377-Y414 HydrophobicContact CD-CG 4.48Å; K377-Y414 HydrophobicContact CG-CE2 4.23Å |
| 378 | V | 88.5 | Confident | 84.7 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.6 | -44.4 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | D374 F376 V380 V381 E382 A417 | D374-V378 WeakPolarHBondContact O-CG2 3.26Å; D374-V378 PolarHBondContact O-N 2.89Å; F376-V378 VanDerWaalsContact C-N 3.32Å; F376-V378 PolarHBondContact O-N 2.89Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.13Å; V378-V381 PolarHBondContact O-N 3.32Å; V378-E382 PolarHBondContact O-N 3.12Å; V378-A417 HydrophobicContact CG1-CB 4.13Å; V378-A417 HydrophobicContact CG2-CB 4.29Å |
| 379 | V | 84.8 | Confident | 84.7 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.5 | -179 | 0 | 0 | 0 | 0 | 111.9 | T347 F376 K377 A383 | T347-V379 HydrophobicContact CG2-CG1 4.29Å; F376-V379 PolarHBondContact O-N 3.06Å; K377-V379 VanDerWaalsContact C-N 3.29Å; K377-V379 PolarHBondContact O-N 3.17Å; V379-A383 PolarHBondContact O-N 3.34Å |
| 380 | V | 85.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I346 L350 I365 V369 I372 F376 K377 V378 A383 I384 | I346-V380 HydrophobicContact CG2-CG1 4.35Å; I346-V380 HydrophobicContact CG2-CG2 4.16Å; L350-V380 HydrophobicContact CD1-CG1 4.35Å; I365-V380 HydrophobicContact CG2-CG1 4.17Å; V369-V380 HydrophobicContact CG2-CG1 4.18Å; I372-V380 HydrophobicContact CD1-CG2 4.48Å; F376-V380 PolarHBondContact O-N 3.4Å; K377-V380 WeakPolarHBondContact O-CB 3.19Å; K377-V380 PolarHBondContact O-N 2.98Å; K377-V380 VanDerWaalsContact O-N 3.09Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.13Å; V380-A383 WeakPolarHBondContact O-CB 3.34Å; V380-A383 PolarHBondContact O-N 3.49Å; V380-I384 HydrophobicContact CG1-CD1 3.92Å; V380-I384 HydrophobicContact CG1-CG1 4.49Å; V380-I384 WeakPolarHBondContact O-CG1 3.47Å; V380-I384 PolarHBondContact O-N 3.38Å |
| 381 | V | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | K377 V378 A383 I384 R385 L402 M405 Y414 A417 L418 T421 | K377-V381 WeakPolarHBondContact O-CG2 3.04Å; K377-V381 PolarHBondContact O-N 3.15Å; V378-V381 PolarHBondContact O-N 3.32Å; V381-A383 VanDerWaalsContact C-N 3.28Å; V381-A383 PolarHBondContact O-N 3.27Å; V381-I384 WeakPolarHBondContact O-CB 3.43Å; V381-I384 PolarHBondContact O-N 3.32Å; V381-I384 VanDerWaalsContact O-N 3.11Å; V381-R385 PolarHBondContact O-N 3.03Å; V381-L402 HydrophobicContact CG1-CD2 4.44Å; V381-M405 HydrophobicContact CG2-CE 3.87Å; V381-Y414 HydrophobicContact CG2-CE2 4.1Å; V381-A417 HydrophobicContact CG1-CB 4.21Å; V381-A417 WeakPolarHBondContact CG1-O 3.44Å; V381-L418 HydrophobicContact CB-CD2 4.49Å; V381-L418 HydrophobicContact CG1-CD2 4.13Å; V381-L418 HydrophobicContact CG1-CG 4.49Å; V381-L418 HydrophobicContact CG2-CD2 3.47Å; V381-L418 VanDerWaalsContact CG2-CD2 3.47Å; V381-L418 HydrophobicContact CG2-CG 3.97Å; V381-T421 HydrophobicContact CG1-CG2 4.35Å; V381-T421 VanDerWaalsContact CG1-OG1 3.24Å; V381-T421 WeakPolarHBondContact CG1-OG1 3.45Å |
| 382 | E | 85.9 | Confident | 84.8 | Confident | 98 Ų | 98 | 46.8 Ų | 46.8 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.1 | -165.5 | 67.6 | -148.2 | 0 | 0 | 111.9 | V378 R385 S386 | V378-E382 PolarHBondContact O-N 3.12Å; E382-R385 WeakPolarHBondContact O-CB 3.34Å; E382-R385 PolarHBondContact O-N 3.04Å; E382-S386 PolarHBondContact O-N 2.96Å; E382-S386 VanDerWaalsContact O-N 3.13Å; E382-S386 PolarHBondContact O-OG 3.13Å |
| 383 | A | 83.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T347 L350 V379 V380 V381 S386 L387 | T347-A383 HydrophobicContact CG2-CB 4.31Å; L350-A383 HydrophobicContact CB-CB 3.97Å; L350-A383 HydrophobicContact CD1-CB 3.55Å; L350-A383 HydrophobicContact CG-CB 4.41Å; V379-A383 PolarHBondContact O-N 3.34Å; V380-A383 WeakPolarHBondContact O-CB 3.34Å; V380-A383 PolarHBondContact O-N 3.49Å; V381-A383 VanDerWaalsContact C-N 3.28Å; V381-A383 PolarHBondContact O-N 3.27Å; A383-S386 PolarHBondContact O-N 2.97Å; A383-L387 PolarHBondContact O-N 3.41Å |
| 384 | I | 87.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 173.7 | -68.4 | 162.4 | 0 | 0 | 0 | 110.8 | L350 V380 V381 S386 L387 C388 L398 F401 L402 | L350-I384 HydrophobicContact CD1-CG1 4.18Å; V380-I384 HydrophobicContact CG1-CD1 3.92Å; V380-I384 HydrophobicContact CG1-CG1 4.49Å; V380-I384 WeakPolarHBondContact O-CG1 3.47Å; V380-I384 PolarHBondContact O-N 3.38Å; V381-I384 WeakPolarHBondContact O-CB 3.43Å; V381-I384 PolarHBondContact O-N 3.32Å; V381-I384 VanDerWaalsContact O-N 3.11Å; I384-S386 VanDerWaalsContact C-N 3.34Å; I384-S386 PolarHBondContact O-N 2.81Å; I384-L387 WeakPolarHBondContact O-CB 3.17Å; I384-L387 PolarHBondContact O-N 2.86Å; I384-L387 VanDerWaalsContact O-N 3.11Å; I384-C388 PolarHBondContact O-N 2.91Å; I384-C388 PolarHBondContact O-SG 3.48Å; I384-L398 HydrophobicContact CG2-CB 4.35Å; I384-L398 HydrophobicContact CG2-CD2 4.35Å; I384-F401 HydrophobicContact CD1-CD1 3.78Å; I384-F401 HydrophobicContact CD1-CE1 3.59Å; I384-L402 HydrophobicContact CB-CD2 4.46Å; I384-L402 HydrophobicContact CD1-CD2 4.25Å; I384-L402 HydrophobicContact CG2-CD1 4.08Å; I384-L402 HydrophobicContact CG2-CD2 3.97Å; I384-L402 HydrophobicContact CG2-CG 4.07Å |
| 385 | R | 86.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.8 | -51.6 | 173.9 | -173 | -177.1 | 176.8 | 171.5 | -0.3 | 110.9 | V381 E382 L387 C388 M389 T421 A424 | V381-R385 PolarHBondContact O-N 3.03Å; E382-R385 WeakPolarHBondContact O-CB 3.34Å; E382-R385 PolarHBondContact O-N 3.04Å; R385-L387 PolarHBondContact O-N 3.26Å; R385-C388 WeakPolarHBondContact O-CB 3.35Å; R385-C388 PolarHBondContact O-N 3.04Å; R385-C388 VanDerWaalsContact O-N 3.17Å; R385-M389 PolarHBondContact O-N 3.3Å; R385-T421 HydrophobicContact CB-CG2 3.59Å; R385-T421 HydrophobicContact CG-CG2 4.01Å; R385-A424 VanDerWaalsContact NH2-CB 3.34Å |
| 386 | S | 83.2 | Confident | 84.4 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -31.6 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 113.3 | E382 A383 I384 R390 | E382-S386 PolarHBondContact O-N 2.96Å; E382-S386 VanDerWaalsContact O-N 3.13Å; E382-S386 PolarHBondContact O-OG 3.13Å; A383-S386 PolarHBondContact O-N 2.97Å; I384-S386 VanDerWaalsContact C-N 3.34Å; I384-S386 PolarHBondContact O-N 2.81Å; S386-R390 WeakPolarHBondContact O-CG 3.44Å; S386-R390 PolarHBondContact O-N 2.74Å; S386-R390 PolarHBondContact O-NE 3.33Å |
| 387 | L | 84.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.2 | -40.3 | 175.8 | -175.2 | 67.8 | 0 | 0 | 0 | 112.1 | L350 V358 A383 I384 R385 M389 R390 Y391 L398 | L350-L387 HydrophobicContact CD2-CD2 3.83Å; V358-L387 HydrophobicContact CG1-CD2 4.13Å; V358-L387 HydrophobicContact CG2-CD1 4.42Å; V358-L387 HydrophobicContact CG2-CD2 4.23Å; A383-L387 PolarHBondContact O-N 3.41Å; I384-L387 WeakPolarHBondContact O-CB 3.17Å; I384-L387 PolarHBondContact O-N 2.86Å; I384-L387 VanDerWaalsContact O-N 3.11Å; R385-L387 PolarHBondContact O-N 3.26Å; L387-M389 VanDerWaalsContact C-N 3.26Å; L387-M389 PolarHBondContact O-N 3.14Å; L387-R390 PolarHBondContact O-N 3.04Å; L387-Y391 HydrophobicContact CD1-CD2 3.56Å; L387-Y391 HydrophobicContact CD1-CE2 3.85Å; L387-Y391 HydrophobicContact CG-CD2 4.43Å; L387-Y391 PolarHBondContact O-N 2.93Å; L387-L398 HydrophobicContact CD2-CD1 4.22Å; L387-L398 HydrophobicContact CD2-CD2 4.01Å; L387-L398 HydrophobicContact CG-CD1 4.18Å |
| 388 | C | 82.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | I384 R385 R390 Y391 L398 I425 | I384-C388 PolarHBondContact O-N 2.91Å; I384-C388 PolarHBondContact O-SG 3.48Å; R385-C388 WeakPolarHBondContact O-CB 3.35Å; R385-C388 PolarHBondContact O-N 3.04Å; R385-C388 VanDerWaalsContact O-N 3.17Å; C388-R390 VanDerWaalsContact C-N 3.35Å; C388-Y391 CarbonylContact O-C 3.47Å; C388-L398 HydrophobicContact CB-CD1 4.23Å; C388-L398 WeakPolarHBondContact SG-CB 3.3Å; C388-L398 WeakPolarHBondContact SG-CD1 3.5Å; C388-I425 HydrophobicContact CB-CD1 3.87Å; C388-I425 HydrophobicContact CB-CG1 3.82Å; C388-I425 WeakPolarHBondContact SG-CD1 3.19Å |
| 389 | M | 80.8 | Confident | 84.5 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | 178.1 | -68.4 | -54.4 | -77.7 | 0 | 0 | 113.5 | R385 L387 E428 | R385-M389 PolarHBondContact O-N 3.3Å; L387-M389 VanDerWaalsContact C-N 3.26Å; L387-M389 PolarHBondContact O-N 3.14Å; M389-E428 HydrophobicContact CE-CB 3.8Å; M389-E428 HydrophobicContact CE-CG 3.91Å; M389-E428 WeakPolarHBondContact CE-OE1 3.37Å; M389-E428 WeakPolarHBondContact CE-OE2 3.3Å; M389-E428 HydrophobicContact SD-CB 3.93Å; M389-E428 VanDerWaalsContact SD-CD 3.57Å; M389-E428 HydrophobicContact SD-CG 4.34Å |
| 390 | R | 81.7 | Confident | 84.7 | Confident | 99 Ų | 99 | 42.9 Ų | 42.9 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -80.9 | -34.4 | 178.3 | -73.8 | 178.9 | -70.9 | 154.4 | 4.5 | 113.6 | L350 K351 S386 L387 C388 P392 | L350-R390 PolarHBondContact O-NH2 3.21Å; K351-R390 PolarHBondContact O-NH1 3.01Å; S386-R390 WeakPolarHBondContact O-CG 3.44Å; S386-R390 PolarHBondContact O-N 2.74Å; S386-R390 PolarHBondContact O-NE 3.33Å; L387-R390 PolarHBondContact O-N 3.04Å; C388-R390 VanDerWaalsContact C-N 3.35Å; R390-P392 VanDerWaalsContact C-CD 3.48Å; R390-P392 WeakPolarHBondContact O-CD 3.37Å |
| 391 | Y | 84.1 | Confident | 84.8 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | trans | -125.2 | 72.9 | 178.3 | -56.8 | -62.9 | 0 | 0 | 0 | 112.3 | G353 E355 L387 C388 K393 K394 | G353-Y391 WeakPolarHBondContact O-CE2 3.21Å; G353-Y391 PolarHBondContact O-OH 3.13Å; E355-Y391 HydrophobicContact CB-CD1 3.83Å; E355-Y391 HydrophobicContact CB-CE1 3.97Å; E355-Y391 HydrophobicContact CB-CG 4.24Å; E355-Y391 HydrophobicContact CG-CD1 4.12Å; E355-Y391 HydrophobicContact CG-CG 4.33Å; L387-Y391 HydrophobicContact CD1-CD2 3.56Å; L387-Y391 HydrophobicContact CD1-CE2 3.85Å; L387-Y391 HydrophobicContact CG-CD2 4.43Å; L387-Y391 PolarHBondContact O-N 2.93Å; C388-Y391 CarbonylContact O-C 3.47Å; Y391-K393 PolarHBondContact O-N 2.97Å; Y391-K394 PolarHBondContact O-N 3.12Å | ||
| 392 | P | 80.8 | Confident | 84.8 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -55.6 | -28 | -178.6 | -27.6 | 35 | 0 | 0 | 0 | 113.8 | R390 K394 S395 R435 | R390-P392 VanDerWaalsContact C-CD 3.48Å; R390-P392 WeakPolarHBondContact O-CD 3.37Å; P392-K394 VanDerWaalsContact C-N 3.27Å; P392-K394 PolarHBondContact O-N 3.41Å; P392-S395 VanDerWaalsContact O-CB 3.29Å; P392-S395 WeakPolarHBondContact O-CB 3.19Å; P392-S395 PolarHBondContact O-N 2.88Å; P392-S395 PolarHBondContact O-OG 3.43Å; P392-R435 PolarHBondContact O-NE 3.05Å; P392-R435 PolarHBondContact O-NH1 2.93Å; P392-R435 VanDerWaalsContact O-NH1 3.09Å; P392-R435 PolarHBondContact O-NH2 3.09Å |
| 393 | K | 82.6 | Confident | 85 | Confident | 156 Ų | 156 | 39.4 Ų | 39.4 | 68% | 0.678 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -61.9 | -29.5 | 177.4 | -68.6 | -178.2 | -176.9 | 173.4 | 0 | 113.8 | E355 Y391 | E355-K393 WeakPolarHBondContact OE1-CB 3.3Å; Y391-K393 PolarHBondContact O-N 2.97Å |
| 394 | K | 83.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -93.6 | 0.7 | -179.5 | -67 | -68.5 | -174.7 | 171.1 | 0 | 113.7 | E355 V358 D359 Y391 P392 S396 V397 L398 | E355-K394 HydrophobicContact CG-CG 3.83Å; E355-K394 WeakPolarHBondContact O-CE 3.35Å; V358-K394 HydrophobicContact CB-CG 4.48Å; V358-K394 HydrophobicContact CG1-CB 4.3Å; D359-K394 IonicContact OD2-NZ 3.11Å; D359-K394 PolarHBondContact OD2-NZ 3.16Å; Y391-K394 PolarHBondContact O-N 3.12Å; P392-K394 VanDerWaalsContact C-N 3.27Å; P392-K394 PolarHBondContact O-N 3.41Å; K394-S396 PolarHBondContact O-N 3.12Å; K394-S396 VanDerWaalsContact O-N 3.14Å; K394-V397 PolarHBondContact O-N 3.33Å; K394-L398 PolarHBondContact O-N 3.47Å |
| 395 | S | 81.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -30.2 | -178 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | P392 V397 L398 L399 R435 | P392-S395 VanDerWaalsContact O-CB 3.29Å; P392-S395 WeakPolarHBondContact O-CB 3.19Å; P392-S395 PolarHBondContact O-N 2.88Å; P392-S395 PolarHBondContact O-OG 3.43Å; S395-V397 VanDerWaalsContact C-N 3.32Å; S395-V397 PolarHBondContact O-N 2.97Å; S395-L398 PolarHBondContact O-N 3.32Å; S395-L399 VanDerWaalsContact O-CB 3.24Å; S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 VanDerWaalsContact O-CG 3.25Å; S395-L399 WeakPolarHBondContact O-CG 3.24Å; S395-L399 PolarHBondContact O-N 3.43Å; S395-R435 WeakPolarHBondContact OG-CD 3.32Å; S395-R435 PolarHBondContact OG-NE 3.43Å; S395-R435 VanDerWaalsContact OG-NE 3.16Å |
| 396 | S | 85 | Confident | 85.5 | Confident | 62 Ų | 62 | 39 Ų | 39 | 43% | 0.434 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | K394 S400 | K394-S396 PolarHBondContact O-N 3.12Å; K394-S396 VanDerWaalsContact O-N 3.14Å; S396-S400 WeakPolarHBondContact O-CB 3.24Å; S396-S400 PolarHBondContact O-N 2.69Å; S396-S400 VanDerWaalsContact O-N 3.13Å |
| 397 | V | 86.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.3 | -42.7 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | K394 S395 S400 F401 | K394-V397 PolarHBondContact O-N 3.33Å; S395-V397 VanDerWaalsContact C-N 3.32Å; S395-V397 PolarHBondContact O-N 2.97Å; V397-S400 PolarHBondContact O-N 3.18Å; V397-F401 WeakPolarHBondContact O-CB 3.47Å; V397-F401 PolarHBondContact O-N 3.06Å |
| 398 | L | 86.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 180 | -60.5 | 172.3 | 0 | 0 | 0 | 112 | V358 M362 I384 L387 C388 K394 S395 F401 L402 | V358-L398 HydrophobicContact CG1-CD2 3.85Å; V358-L398 HydrophobicContact CG1-CG 4.38Å; M362-L398 HydrophobicContact CE-CD2 4.28Å; M362-L398 HydrophobicContact CG-CD2 3.95Å; M362-L398 HydrophobicContact SD-CD2 3.59Å; M362-L398 VanDerWaalsContact SD-CD2 3.59Å; I384-L398 HydrophobicContact CG2-CB 4.35Å; I384-L398 HydrophobicContact CG2-CD2 4.35Å; L387-L398 HydrophobicContact CD2-CD1 4.22Å; L387-L398 HydrophobicContact CD2-CD2 4.01Å; L387-L398 HydrophobicContact CG-CD1 4.18Å; C388-L398 HydrophobicContact CB-CD1 4.23Å; C388-L398 WeakPolarHBondContact SG-CB 3.3Å; C388-L398 WeakPolarHBondContact SG-CD1 3.5Å; K394-L398 PolarHBondContact O-N 3.47Å; S395-L398 PolarHBondContact O-N 3.32Å; L398-F401 WeakPolarHBondContact O-CB 3.5Å; L398-F401 PolarHBondContact O-N 3.25Å; L398-L402 VanDerWaalsContact O-CG 3.31Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 3.12Å |
| 399 | L | 88 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 173.8 | -76.7 | 171.3 | 0 | 0 | 0 | 111.6 | S395 F401 L402 S403 I422 I425 Y442 | S395-L399 VanDerWaalsContact O-CB 3.24Å; S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 VanDerWaalsContact O-CG 3.25Å; S395-L399 WeakPolarHBondContact O-CG 3.24Å; S395-L399 PolarHBondContact O-N 3.43Å; L399-F401 VanDerWaalsContact C-N 3.27Å; L399-F401 PolarHBondContact O-N 2.81Å; L399-L402 PolarHBondContact O-N 3.18Å; L399-S403 WeakPolarHBondContact O-CB 3.45Å; L399-S403 PolarHBondContact O-N 3.44Å; L399-I422 HydrophobicContact CD2-CG1 4.33Å; L399-I422 HydrophobicContact CD2-CG2 4.22Å; L399-I425 HydrophobicContact CD1-CG2 4.25Å; L399-I425 HydrophobicContact CD2-CB 4.41Å; L399-I425 HydrophobicContact CD2-CD1 4.15Å; L399-I425 HydrophobicContact CD2-CG2 4.03Å; L399-I425 HydrophobicContact CG-CG2 4.24Å; L399-Y442 HydrophobicContact CB-CD2 4.42Å; L399-Y442 HydrophobicContact CB-CE2 4.12Å |
| 400 | S | 88.9 | Confident | 85.8 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | S396 V397 S403 T404 | S396-S400 WeakPolarHBondContact O-CB 3.24Å; S396-S400 PolarHBondContact O-N 2.69Å; S396-S400 VanDerWaalsContact O-N 3.13Å; V397-S400 PolarHBondContact O-N 3.18Å; S400-S403 PolarHBondContact O-N 2.95Å; S400-T404 PolarHBondContact O-N 3.29Å; S400-T404 VanDerWaalsContact O-N 3.16Å; S400-T404 PolarHBondContact O-OG1 3.45Å |
| 401 | F | 88.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 176.8 | -177.1 | -100.7 | 0 | 0 | 0 | 112 | M362 I365 I384 V397 L398 L399 S403 T404 M405 | M362-F401 HydrophobicContact CB-CD2 4.46Å; M362-F401 HydrophobicContact SD-CB 4.35Å; M362-F401 HydrophobicContact SD-CD1 3.76Å; M362-F401 HydrophobicContact SD-CD2 4.33Å; M362-F401 HydrophobicContact SD-CE1 4.11Å; M362-F401 HydrophobicContact SD-CG 3.88Å; I365-F401 HydrophobicContact CG2-CE1 4.48Å; I365-F401 HydrophobicContact CG2-CZ 3.98Å; I384-F401 HydrophobicContact CD1-CD1 3.78Å; I384-F401 HydrophobicContact CD1-CE1 3.59Å; V397-F401 WeakPolarHBondContact O-CB 3.47Å; V397-F401 PolarHBondContact O-N 3.06Å; L398-F401 WeakPolarHBondContact O-CB 3.5Å; L398-F401 PolarHBondContact O-N 3.25Å; L399-F401 VanDerWaalsContact C-N 3.27Å; L399-F401 PolarHBondContact O-N 2.81Å; F401-S403 VanDerWaalsContact C-N 3.26Å; F401-S403 PolarHBondContact O-N 3.09Å; F401-T404 PolarHBondContact O-N 3.15Å; F401-T404 VanDerWaalsContact O-N 3.16Å; F401-M405 HydrophobicContact CD1-SD 3.87Å; F401-M405 HydrophobicContact CE1-CG 4.2Å; F401-M405 HydrophobicContact CE1-SD 3.25Å; F401-M405 WeakPolarHBondContact CE1-SD 3.44Å; F401-M405 HydrophobicContact CZ-CG 4.39Å; F401-M405 HydrophobicContact CZ-SD 3.8Å; F401-M405 PolarHBondContact O-N 3.28Å; F401-M405 VanDerWaalsContact O-N 3.07Å |
| 402 | L | 90.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 174.2 | -69.1 | 169.8 | 0 | 0 | 0 | 111.6 | V381 I384 L398 L399 M405 L406 L418 T421 I422 I425 | V381-L402 HydrophobicContact CG1-CD2 4.44Å; I384-L402 HydrophobicContact CB-CD2 4.46Å; I384-L402 HydrophobicContact CD1-CD2 4.25Å; I384-L402 HydrophobicContact CG2-CD1 4.08Å; I384-L402 HydrophobicContact CG2-CD2 3.97Å; I384-L402 HydrophobicContact CG2-CG 4.07Å; L398-L402 VanDerWaalsContact O-CG 3.31Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 3.12Å; L399-L402 PolarHBondContact O-N 3.18Å; L402-M405 WeakPolarHBondContact O-CB 3.38Å; L402-M405 PolarHBondContact O-N 3.03Å; L402-L406 VanDerWaalsContact O-CB 3.27Å; L402-L406 WeakPolarHBondContact O-CB 3.47Å; L402-L406 PolarHBondContact O-N 3.4Å; L402-L418 HydrophobicContact CD2-CD2 3.64Å; L402-T421 HydrophobicContact CD1-CG2 3.82Å; L402-T421 HydrophobicContact CD2-CG2 4.42Å; L402-I422 HydrophobicContact CB-CD1 4.26Å; L402-I422 HydrophobicContact CB-CG1 4.18Å; L402-I422 HydrophobicContact CD1-CG1 4.13Å; L402-I425 HydrophobicContact CD1-CD1 3.74Å |
| 403 | S | 89.2 | Confident | 86.9 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 176 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | L399 S400 F401 L406 R407 Y442 | L399-S403 WeakPolarHBondContact O-CB 3.45Å; L399-S403 PolarHBondContact O-N 3.44Å; S400-S403 PolarHBondContact O-N 2.95Å; F401-S403 VanDerWaalsContact C-N 3.26Å; F401-S403 PolarHBondContact O-N 3.09Å; S403-L406 PolarHBondContact O-N 3.47Å; S403-R407 PolarHBondContact O-N 3.09Å; S403-Y442 WeakPolarHBondContact OG-CD1 3.32Å |
| 404 | T | 88.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 44% | 0.436 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | S400 F401 L406 R407 | S400-T404 PolarHBondContact O-N 3.29Å; S400-T404 VanDerWaalsContact O-N 3.16Å; S400-T404 PolarHBondContact O-OG1 3.45Å; F401-T404 PolarHBondContact O-N 3.15Å; F401-T404 VanDerWaalsContact O-N 3.16Å; T404-L406 PolarHBondContact O-N 2.84Å; T404-R407 PolarHBondContact O-N 3.25Å |
| 405 | M | 88.6 | Confident | 87.8 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -32.3 | 175.9 | -75.7 | -174.3 | 67.5 | 0 | 0 | 113.3 | V369 V381 F401 L402 R407 D408 Y414 L418 | V369-M405 HydrophobicContact CG1-CE 3.46Å; V369-M405 VanDerWaalsContact CG1-CE 3.46Å; V369-M405 HydrophobicContact CG1-CG 4.34Å; V369-M405 HydrophobicContact CG1-SD 4.02Å; V381-M405 HydrophobicContact CG2-CE 3.87Å; F401-M405 HydrophobicContact CD1-SD 3.87Å; F401-M405 HydrophobicContact CE1-CG 4.2Å; F401-M405 HydrophobicContact CE1-SD 3.25Å; F401-M405 WeakPolarHBondContact CE1-SD 3.44Å; F401-M405 HydrophobicContact CZ-CG 4.39Å; F401-M405 HydrophobicContact CZ-SD 3.8Å; F401-M405 PolarHBondContact O-N 3.28Å; F401-M405 VanDerWaalsContact O-N 3.07Å; L402-M405 WeakPolarHBondContact O-CB 3.38Å; L402-M405 PolarHBondContact O-N 3.03Å; M405-R407 VanDerWaalsContact C-N 3.28Å; M405-R407 PolarHBondContact O-N 2.76Å; M405-D408 PolarHBondContact O-N 3.11Å; M405-Y414 WeakPolarHBondContact CB-OH 3.48Å; M405-Y414 HydrophobicContact CE-CE2 3.68Å; M405-Y414 WeakPolarHBondContact CE-OH 3.32Å; M405-Y414 PolarHBondContact O-OH 3.18Å; M405-L418 HydrophobicContact CB-CD1 4.2Å; M405-L418 HydrophobicContact CB-CD2 3.99Å; M405-L418 HydrophobicContact CE-CD2 4.37Å |
| 406 | L | 89.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.4 | -18 | 177.3 | -170.3 | 64.7 | 0 | 0 | 0 | 113.1 | L402 S403 T404 K415 L418 V419 I422 L443 F446 | L402-L406 VanDerWaalsContact O-CB 3.27Å; L402-L406 WeakPolarHBondContact O-CB 3.47Å; L402-L406 PolarHBondContact O-N 3.4Å; S403-L406 PolarHBondContact O-N 3.47Å; T404-L406 PolarHBondContact O-N 2.84Å; L406-K415 VanDerWaalsContact C-NZ 3.28Å; L406-K415 HydrophobicContact CD1-CD 4.11Å; L406-K415 PolarHBondContact O-NZ 3.07Å; L406-L418 HydrophobicContact CB-CD1 4.28Å; L406-L418 HydrophobicContact CD1-CB 3.96Å; L406-L418 HydrophobicContact CD1-CD1 4.06Å; L406-V419 HydrophobicContact CD1-CG2 4.06Å; L406-I422 HydrophobicContact CD2-CD1 3.94Å; L406-L443 HydrophobicContact CD2-CD2 4.37Å; L406-F446 HydrophobicContact CD1-CD1 4.26Å; L406-F446 HydrophobicContact CD1-CD2 3.85Å; L406-F446 HydrophobicContact CD1-CE1 4.2Å; L406-F446 HydrophobicContact CD1-CE2 3.79Å; L406-F446 HydrophobicContact CD1-CG 4.08Å; L406-F446 HydrophobicContact CD1-CZ 3.96Å; L406-F446 HydrophobicContact CD2-CB 3.63Å; L406-F446 HydrophobicContact CD2-CD1 4.16Å; L406-F446 HydrophobicContact CD2-CD2 4.03Å; L406-F446 HydrophobicContact CD2-CG 3.67Å; L406-F446 HydrophobicContact CG-CB 4.1Å; L406-F446 HydrophobicContact CG-CD1 4.34Å; L406-F446 HydrophobicContact CG-CD2 3.53Å; L406-F446 HydrophobicContact CG-CE2 3.98Å; L406-F446 HydrophobicContact CG-CG 3.72Å |
| 407 | R | 86.5 | Confident | 88.7 | Confident | 171 Ų | 171 | 47.2 Ų | 47.2 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -86.8 | -24.5 | 174.8 | -68 | 178.3 | -175.9 | 178.6 | 1.1 | 113.8 | S403 T404 M405 E445 | S403-R407 PolarHBondContact O-N 3.09Å; T404-R407 PolarHBondContact O-N 3.25Å; M405-R407 VanDerWaalsContact C-N 3.28Å; M405-R407 PolarHBondContact O-N 2.76Å; R407-E445 IonicContact CZ-OE2 2.76Å; R407-E445 IonicContact NH2-OE2 2.87Å; R407-E445 PolarHBondContact NH2-OE2 3.19Å |
| 408 | D | 85.2 | Confident | 89 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -69.1 | 153.5 | -179.5 | -65.6 | -22.4 | 0 | 0 | 0 | 112.3 | M405 K415 | M405-D408 PolarHBondContact O-N 3.11Å; D408-K415 VanDerWaalsContact O-CE 3.28Å; D408-K415 WeakPolarHBondContact O-CE 3.22Å; D408-K415 PolarHBondContact O-NZ 3.32Å |
| 409 | E | 82.8 | Confident | 89.3 | Confident | 188 Ų | 188 | 44.6 Ų | 44.6 | 88% | 0.879 | 23% | 0.229 | S | C | * | . | trans | -65.6 | 145.3 | 173.7 | -66.7 | -178.8 | 179.6 | 0 | 0 | 111.8 | ||||
| 410 | G | 84.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | trans | 178.5 | 168.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D374 | D374-G410 WeakPolarHBondContact OD2-CA 3.19Š| ||
| 411 | C | 88.5 | Confident | 89.5 | Confident | 56 Ų | 56 | 44 Ų | 44 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | trans | -68.6 | 162.5 | -176.7 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | D374 M413 Y414 K415 | D374-C411 HydrophobicContact CB-CB 4.45Å; D374-C411 VanDerWaalsContact CB-SG 3.56Å; D374-C411 WeakPolarHBondContact OD2-CB 3.17Å; D374-C411 PolarHBondContact OD2-N 2.64Å; C411-M413 PolarHBondContact O-N 2.94Å; C411-Y414 PolarHBondContact O-N 2.84Å; C411-Y414 VanDerWaalsContact O-N 3.16Å; C411-K415 PolarHBondContact O-N 3.36Å; C411-K415 VanDerWaalsContact O-N 3.13Å | ||
| 412 | F | 90.2 | Very high | 89.6 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 31% | 0.307 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.4 | -49.1 | 179.2 | 175.7 | -99.9 | 0 | 0 | 0 | 113.2 | Y414 K415 E416 H452 S454 L455 | F412-Y414 VanDerWaalsContact C-N 3.26Å; F412-Y414 PolarHBondContact O-N 2.72Å; F412-K415 PolarHBondContact O-N 2.89Å; F412-K415 VanDerWaalsContact O-N 3.14Å; F412-E416 HydrophobicContact CE1-CB 4.33Å; F412-E416 WeakPolarHBondContact CE1-OE2 3.01Å; F412-E416 HydrophobicContact CZ-CB 4.34Å; F412-E416 WeakPolarHBondContact O-CB 3.19Å; F412-E416 PolarHBondContact O-N 3.49Å; F412-H452 HydrophobicContact CD2-CB 4.15Å; F412-H452 AromaticContact CD2-CG 3.86Å; F412-H452 HydrophobicContact CE2-CB 4.33Å; F412-S454 WeakPolarHBondContact CE2-OG 3.38Å; F412-S454 WeakPolarHBondContact CZ-OG 3.24Å; F412-L455 HydrophobicContact CE2-CD1 4.35Å; F412-L455 HydrophobicContact CE2-CD2 4.07Å; F412-L455 HydrophobicContact CE2-CG 3.87Å; F412-L455 HydrophobicContact CZ-CD2 4.38Å |
| 413 | M | 90.4 | Very high | 89.5 | Confident | 117 Ų | 117 | 43.6 Ų | 43.6 | 58% | 0.576 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.6 | -36.5 | -178.1 | -63.1 | -58.2 | -58.1 | 0 | 0 | 112.6 | C411 A417 | C411-M413 PolarHBondContact O-N 2.94Å; M413-A417 WeakPolarHBondContact O-CB 3.35Å; M413-A417 PolarHBondContact O-N 3.13Å |
| 414 | Y | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.3 | -43.3 | 177.3 | 165.6 | -119.2 | 0 | 0 | 0 | 111.9 | K377 V381 M405 C411 F412 A417 L418 | K377-Y414 HydrophobicContact CB-CD2 3.55Å; K377-Y414 HydrophobicContact CB-CE2 3.43Å; K377-Y414 VanDerWaalsContact CB-CE2 3.43Å; K377-Y414 HydrophobicContact CB-CG 4.4Å; K377-Y414 HydrophobicContact CD-CD1 4.4Å; K377-Y414 HydrophobicContact CD-CD2 4.2Å; K377-Y414 HydrophobicContact CD-CE1 3.98Å; K377-Y414 HydrophobicContact CD-CE2 3.77Å; K377-Y414 HydrophobicContact CD-CG 4.48Å; K377-Y414 HydrophobicContact CG-CE2 4.23Å; V381-Y414 HydrophobicContact CG2-CE2 4.1Å; M405-Y414 WeakPolarHBondContact CB-OH 3.48Å; M405-Y414 HydrophobicContact CE-CE2 3.68Å; M405-Y414 WeakPolarHBondContact CE-OH 3.32Å; M405-Y414 PolarHBondContact O-OH 3.18Å; C411-Y414 PolarHBondContact O-N 2.84Å; C411-Y414 VanDerWaalsContact O-N 3.16Å; F412-Y414 VanDerWaalsContact C-N 3.26Å; F412-Y414 PolarHBondContact O-N 2.72Å; Y414-A417 PolarHBondContact O-N 3.16Å; Y414-L418 HydrophobicContact CD1-CD1 4.43Å; Y414-L418 HydrophobicContact CD2-CD1 4.26Å; Y414-L418 HydrophobicContact CD2-CG 4.39Å; Y414-L418 HydrophobicContact CE1-CD1 3.91Å; Y414-L418 HydrophobicContact CE2-CD1 3.69Å; Y414-L418 HydrophobicContact CE2-CD2 4.43Å; Y414-L418 HydrophobicContact CE2-CG 3.97Å; Y414-L418 WeakPolarHBondContact O-CG 2.98Å; Y414-L418 PolarHBondContact O-N 2.81Å; Y414-L418 VanDerWaalsContact O-N 3.11Å |
| 415 | K | 92.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.2 | -65.9 | -62.5 | -171.8 | -179.7 | 0 | 112.3 | L406 D408 C411 F412 L418 V419 F446 L455 | L406-K415 VanDerWaalsContact C-NZ 3.28Å; L406-K415 HydrophobicContact CD1-CD 4.11Å; L406-K415 PolarHBondContact O-NZ 3.07Å; D408-K415 VanDerWaalsContact O-CE 3.28Å; D408-K415 WeakPolarHBondContact O-CE 3.22Å; D408-K415 PolarHBondContact O-NZ 3.32Å; C411-K415 PolarHBondContact O-N 3.36Å; C411-K415 VanDerWaalsContact O-N 3.13Å; F412-K415 PolarHBondContact O-N 2.89Å; F412-K415 VanDerWaalsContact O-N 3.14Å; K415-L418 HydrophobicContact CD-CD1 4.5Å; K415-L418 PolarHBondContact O-N 2.88Å; K415-V419 WeakPolarHBondContact O-CG2 3.41Å; K415-V419 PolarHBondContact O-N 2.78Å; K415-F446 HydrophobicContact CD-CE2 4.26Å; K415-F446 HydrophobicContact CD-CZ 4.31Å; K415-L455 HydrophobicContact CB-CD1 3.55Å |
| 416 | E | 93.5 | Very high | 88.7 | Confident | 55 Ų | 55 | 40.3 Ų | 40.3 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 174.7 | -175.8 | 171.6 | -132 | 0 | 0 | 111 | F412 L418 V419 D420 L455 | F412-E416 HydrophobicContact CE1-CB 4.33Å; F412-E416 WeakPolarHBondContact CE1-OE2 3.01Å; F412-E416 HydrophobicContact CZ-CB 4.34Å; F412-E416 WeakPolarHBondContact O-CB 3.19Å; F412-E416 PolarHBondContact O-N 3.49Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.24Å; E416-V419 PolarHBondContact O-N 3.46Å; E416-D420 WeakPolarHBondContact O-CB 3.38Å; E416-D420 PolarHBondContact O-N 3.46Å; E416-L455 HydrophobicContact CB-CD2 4.01Å; E416-L455 HydrophobicContact CG-CD2 4.22Å |
| 417 | A | 92.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V378 V381 M413 Y414 T421 | V378-A417 HydrophobicContact CG1-CB 4.13Å; V378-A417 HydrophobicContact CG2-CB 4.29Å; V381-A417 HydrophobicContact CG1-CB 4.21Å; V381-A417 WeakPolarHBondContact CG1-O 3.44Å; M413-A417 WeakPolarHBondContact O-CB 3.35Å; M413-A417 PolarHBondContact O-N 3.13Å; Y414-A417 PolarHBondContact O-N 3.16Å; A417-T421 VanDerWaalsContact O-CB 3.27Å; A417-T421 WeakPolarHBondContact O-CB 3.44Å; A417-T421 PolarHBondContact O-N 2.63Å; A417-T421 PolarHBondContact O-OG1 3.48Å |
| 418 | L | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -49.1 | 175.6 | -77.2 | 170.3 | 0 | 0 | 0 | 112.1 | V381 L402 M405 L406 Y414 K415 E416 D420 T421 I422 | V381-L418 HydrophobicContact CB-CD2 4.49Å; V381-L418 HydrophobicContact CG1-CD2 4.13Å; V381-L418 HydrophobicContact CG1-CG 4.49Å; V381-L418 HydrophobicContact CG2-CD2 3.47Å; V381-L418 VanDerWaalsContact CG2-CD2 3.47Å; V381-L418 HydrophobicContact CG2-CG 3.97Å; L402-L418 HydrophobicContact CD2-CD2 3.64Å; M405-L418 HydrophobicContact CB-CD1 4.2Å; M405-L418 HydrophobicContact CB-CD2 3.99Å; M405-L418 HydrophobicContact CE-CD2 4.37Å; L406-L418 HydrophobicContact CB-CD1 4.28Å; L406-L418 HydrophobicContact CD1-CB 3.96Å; L406-L418 HydrophobicContact CD1-CD1 4.06Å; Y414-L418 HydrophobicContact CD1-CD1 4.43Å; Y414-L418 HydrophobicContact CD2-CD1 4.26Å; Y414-L418 HydrophobicContact CD2-CG 4.39Å; Y414-L418 HydrophobicContact CE1-CD1 3.91Å; Y414-L418 HydrophobicContact CE2-CD1 3.69Å; Y414-L418 HydrophobicContact CE2-CD2 4.43Å; Y414-L418 HydrophobicContact CE2-CG 3.97Å; Y414-L418 WeakPolarHBondContact O-CG 2.98Å; Y414-L418 PolarHBondContact O-N 2.81Å; Y414-L418 VanDerWaalsContact O-N 3.11Å; K415-L418 HydrophobicContact CD-CD1 4.5Å; K415-L418 PolarHBondContact O-N 2.88Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.24Å; L418-D420 VanDerWaalsContact C-N 3.35Å; L418-T421 PolarHBondContact O-N 3.48Å; L418-I422 WeakPolarHBondContact O-CG1 3.33Å; L418-I422 PolarHBondContact O-N 2.69Å |
| 419 | V | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 179.2 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | L406 K415 E416 T421 I422 I423 L443 F446 L455 I459 | L406-V419 HydrophobicContact CD1-CG2 4.06Å; K415-V419 WeakPolarHBondContact O-CG2 3.41Å; K415-V419 PolarHBondContact O-N 2.78Å; E416-V419 PolarHBondContact O-N 3.46Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 3.33Å; V419-I422 PolarHBondContact O-N 3.36Å; V419-I422 VanDerWaalsContact O-N 3.16Å; V419-I423 HydrophobicContact CG1-CD1 3.68Å; V419-I423 HydrophobicContact CG1-CG1 4.26Å; V419-I423 VanDerWaalsContact O-CG1 3.24Å; V419-I423 WeakPolarHBondContact O-CG1 3.24Å; V419-I423 PolarHBondContact O-N 2.99Å; V419-L443 HydrophobicContact CG1-CD2 4.41Å; V419-L443 HydrophobicContact CG2-CD2 4.41Å; V419-F446 HydrophobicContact CG2-CD1 4.38Å; V419-F446 HydrophobicContact CG2-CE1 4.06Å; V419-L455 HydrophobicContact CG2-CD1 4.38Å; V419-I459 HydrophobicContact CG1-CD1 4.15Å; V419-I459 HydrophobicContact CG1-CG1 3.95Å; V419-I459 HydrophobicContact CG2-CD1 4.12Å |
| 420 | D | 91.5 | Very high | 85.3 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | -179.9 | -76 | 21.8 | 0 | 0 | 0 | 112 | E416 L418 I423 A424 R458 | E416-D420 WeakPolarHBondContact O-CB 3.38Å; E416-D420 PolarHBondContact O-N 3.46Å; L418-D420 VanDerWaalsContact C-N 3.35Å; D420-I423 PolarHBondContact O-N 3.18Å; D420-A424 WeakPolarHBondContact O-CB 3.34Å; D420-A424 PolarHBondContact O-N 2.85Å; D420-R458 VanDerWaalsContact CG-CZ 3.43Å; D420-R458 IonicContact OD1-CZ 2.71Å; D420-R458 IonicContact OD1-NE 3.28Å; D420-R458 IonicContact OD1-NH1 2.8Å; D420-R458 PolarHBondContact OD1-NH1 3.41Å; D420-R458 IonicContact OD1-NH2 3.64Å; D420-R458 PolarHBondContact OD1-NH2 3.12Å; D420-R458 IonicContact OD2-CZ 3.84Å; D420-R458 VanDerWaalsContact OD2-CZ 3.31Å; D420-R458 IonicContact OD2-NH1 2.98Å; D420-R458 PolarHBondContact OD2-NH1 3.33Å; D420-R458 IonicContact OD2-NH2 3.07Å; D420-R458 PolarHBondContact OD2-NH2 3.34Å |
| 421 | T | 90 | Very high | 84 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | V381 R385 L402 A417 L418 V419 I423 A424 I425 | V381-T421 HydrophobicContact CG1-CG2 4.35Å; V381-T421 VanDerWaalsContact CG1-OG1 3.24Å; V381-T421 WeakPolarHBondContact CG1-OG1 3.45Å; R385-T421 HydrophobicContact CB-CG2 3.59Å; R385-T421 HydrophobicContact CG-CG2 4.01Å; L402-T421 HydrophobicContact CD1-CG2 3.82Å; L402-T421 HydrophobicContact CD2-CG2 4.42Å; A417-T421 VanDerWaalsContact O-CB 3.27Å; A417-T421 WeakPolarHBondContact O-CB 3.44Å; A417-T421 PolarHBondContact O-N 2.63Å; A417-T421 PolarHBondContact O-OG1 3.48Å; L418-T421 PolarHBondContact O-N 3.48Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 3.33Å; T421-I423 VanDerWaalsContact C-N 3.35Å; T421-A424 PolarHBondContact O-N 3.01Å; T421-I425 HydrophobicContact CG2-CD1 3.83Å; T421-I425 WeakPolarHBondContact O-CD1 3.43Å; T421-I425 WeakPolarHBondContact O-CG1 3.24Å; T421-I425 PolarHBondContact O-N 3.06Å |
| 422 | I | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.6 | -67.1 | 166.7 | 0 | 0 | 0 | 110.4 | L399 L402 L406 L418 V419 I425 I426 L443 | L399-I422 HydrophobicContact CD2-CG1 4.33Å; L399-I422 HydrophobicContact CD2-CG2 4.22Å; L402-I422 HydrophobicContact CB-CD1 4.26Å; L402-I422 HydrophobicContact CB-CG1 4.18Å; L402-I422 HydrophobicContact CD1-CG1 4.13Å; L406-I422 HydrophobicContact CD2-CD1 3.94Å; L418-I422 WeakPolarHBondContact O-CG1 3.33Å; L418-I422 PolarHBondContact O-N 2.69Å; V419-I422 PolarHBondContact O-N 3.36Å; V419-I422 VanDerWaalsContact O-N 3.16Å; I422-I425 PolarHBondContact O-N 3.45Å; I422-I426 HydrophobicContact CG2-CD1 3.74Å; I422-I426 HydrophobicContact CG2-CG1 4.39Å; I422-I426 WeakPolarHBondContact O-CD1 3.48Å; I422-I426 WeakPolarHBondContact O-CG1 3.48Å; I422-I426 PolarHBondContact O-N 3.4Å; I422-L443 HydrophobicContact CB-CD2 4.31Å; I422-L443 HydrophobicContact CD1-CD2 4.21Å; I422-L443 HydrophobicContact CG2-CD1 3.92Å; I422-L443 HydrophobicContact CG2-CD2 3.98Å; I422-L443 HydrophobicContact CG2-CG 3.84Å |
| 423 | I | 88.3 | Confident | 81.2 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 177.2 | -67.9 | 174.9 | 0 | 0 | 0 | 110.6 | V419 D420 T421 I425 I426 E427 L443 R458 L462 | V419-I423 HydrophobicContact CG1-CD1 3.68Å; V419-I423 HydrophobicContact CG1-CG1 4.26Å; V419-I423 VanDerWaalsContact O-CG1 3.24Å; V419-I423 WeakPolarHBondContact O-CG1 3.24Å; V419-I423 PolarHBondContact O-N 2.99Å; D420-I423 PolarHBondContact O-N 3.18Å; T421-I423 VanDerWaalsContact C-N 3.35Å; I423-I425 VanDerWaalsContact C-N 3.32Å; I423-I425 PolarHBondContact O-N 3.35Å; I423-I426 WeakPolarHBondContact O-CB 3.49Å; I423-I426 PolarHBondContact O-N 3.1Å; I423-E427 HydrophobicContact CG2-CG 4.22Å; I423-E427 WeakPolarHBondContact O-CG 3.39Å; I423-E427 PolarHBondContact O-N 3.49Å; I423-L443 HydrophobicContact CG1-CD1 4.3Å; I423-R458 HydrophobicContact CD1-CG 4.26Å; I423-L462 HydrophobicContact CD1-CD2 4.48Å; I423-L462 HydrophobicContact CG1-CD2 3.94Å |
| 424 | A | 85.6 | Confident | 80 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R385 D420 T421 I426 E427 E428 | R385-A424 VanDerWaalsContact NH2-CB 3.34Å; D420-A424 WeakPolarHBondContact O-CB 3.34Å; D420-A424 PolarHBondContact O-N 2.85Å; T421-A424 PolarHBondContact O-N 3.01Å; A424-I426 VanDerWaalsContact C-N 3.27Å; A424-I426 PolarHBondContact O-N 3.49Å; A424-E427 PolarHBondContact O-N 3.09Å; A424-E428 WeakPolarHBondContact O-CB 3.29Å; A424-E428 WeakPolarHBondContact O-CG 3.32Å; A424-E428 PolarHBondContact O-N 3.34Å |
| 425 | I | 83.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -36.2 | 177.3 | -65.7 | 161.8 | 0 | 0 | 0 | 111.7 | C388 L399 L402 T421 I422 I423 N429 | C388-I425 HydrophobicContact CB-CD1 3.87Å; C388-I425 HydrophobicContact CB-CG1 3.82Å; C388-I425 WeakPolarHBondContact SG-CD1 3.19Å; L399-I425 HydrophobicContact CD1-CG2 4.25Å; L399-I425 HydrophobicContact CD2-CB 4.41Å; L399-I425 HydrophobicContact CD2-CD1 4.15Å; L399-I425 HydrophobicContact CD2-CG2 4.03Å; L399-I425 HydrophobicContact CG-CG2 4.24Å; L402-I425 HydrophobicContact CD1-CD1 3.74Å; T421-I425 HydrophobicContact CG2-CD1 3.83Å; T421-I425 WeakPolarHBondContact O-CD1 3.43Å; T421-I425 WeakPolarHBondContact O-CG1 3.24Å; T421-I425 PolarHBondContact O-N 3.06Å; I422-I425 PolarHBondContact O-N 3.45Å; I423-I425 VanDerWaalsContact C-N 3.32Å; I423-I425 PolarHBondContact O-N 3.35Å; I425-N429 WeakPolarHBondContact O-CB 3.45Å; I425-N429 PolarHBondContact O-ND2 2.92Å |
| 426 | I | 81.2 | Confident | 77.8 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 177.7 | -70.6 | 167.7 | 0 | 0 | 0 | 110.8 | I422 I423 A424 F436 L440 L443 L462 | I422-I426 HydrophobicContact CG2-CD1 3.74Å; I422-I426 HydrophobicContact CG2-CG1 4.39Å; I422-I426 WeakPolarHBondContact O-CD1 3.48Å; I422-I426 WeakPolarHBondContact O-CG1 3.48Å; I422-I426 PolarHBondContact O-N 3.4Å; I423-I426 WeakPolarHBondContact O-CB 3.49Å; I423-I426 PolarHBondContact O-N 3.1Å; A424-I426 VanDerWaalsContact C-N 3.27Å; A424-I426 PolarHBondContact O-N 3.49Å; I426-F436 HydrophobicContact CB-CD2 4.49Å; I426-F436 HydrophobicContact CG2-CD2 3.37Å; I426-F436 HydrophobicContact CG2-CE2 3.47Å; I426-F436 VanDerWaalsContact CG2-CE2 3.47Å; I426-F436 HydrophobicContact CG2-CG 4.27Å; I426-F436 HydrophobicContact CG2-CZ 4.45Å; I426-L440 HydrophobicContact CD1-CD2 4.32Å; I426-L440 HydrophobicContact CD1-CG 4.47Å; I426-L443 HydrophobicContact CD1-CD1 3.92Å; I426-L462 HydrophobicContact CD1-CD2 4.45Å |
| 427 | E | 79.1 | Confident | 77 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -70.8 | -35.3 | -176.7 | -70.9 | -179.9 | 165.9 | 0 | 0 | 112.6 | I423 A424 | I423-E427 HydrophobicContact CG2-CG 4.22Å; I423-E427 WeakPolarHBondContact O-CG 3.39Å; I423-E427 PolarHBondContact O-N 3.49Å; A424-E427 PolarHBondContact O-N 3.09Å |
| 428 | E | 72 | Confident | 76.5 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -84.3 | -15.9 | -174.2 | -69.5 | 172.2 | 137.5 | 0 | 0 | 114.1 | M389 A424 | M389-E428 HydrophobicContact CE-CB 3.8Å; M389-E428 HydrophobicContact CE-CG 3.91Å; M389-E428 WeakPolarHBondContact CE-OE1 3.37Å; M389-E428 WeakPolarHBondContact CE-OE2 3.3Å; M389-E428 HydrophobicContact SD-CB 3.93Å; M389-E428 VanDerWaalsContact SD-CD 3.57Å; M389-E428 HydrophobicContact SD-CG 4.34Å; A424-E428 WeakPolarHBondContact O-CB 3.29Å; A424-E428 WeakPolarHBondContact O-CG 3.32Å; A424-E428 PolarHBondContact O-N 3.34Å |
| 429 | N | 62.7 | Low | 76 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | trans | -115.2 | 54 | -171.2 | -72.3 | -72.4 | 0 | 0 | 0 | 114.8 | I425 E431 T432 | I425-N429 WeakPolarHBondContact O-CB 3.45Å; I425-N429 PolarHBondContact O-ND2 2.92Å; N429-E431 PolarHBondContact O-N 3.46Å; N429-E431 VanDerWaalsContact O-N 3.08Å; N429-T432 PolarHBondContact O-N 3Å | ||
| 430 | E | 59.3 | Low | 75.8 | Confident | 130 Ų | 130 | 54.6 Ų | 54.6 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.5 | 178.3 | -78.6 | -162.4 | 153 | 0 | 0 | 114.4 | T432 | E430-T432 PolarHBondContact O-N 2.95Å; E430-T432 VanDerWaalsContact O-N 3.12Å |
| 431 | E | 56.7 | Low | 75.6 | Confident | 158 Ų | 158 | 53.5 Ų | 53.5 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.2 | -173.8 | -69 | -158.1 | 139.7 | 0 | 0 | 114.7 | N429 | N429-E431 PolarHBondContact O-N 3.46Å; N429-E431 VanDerWaalsContact O-N 3.08Å |
| 432 | T | 57.1 | Low | 75.6 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | trans | -131.9 | 81.1 | -174.5 | 21.4 | 0 | 0 | 0 | 0 | 111.5 | N429 E430 E434 R435 | N429-T432 PolarHBondContact O-N 3Å; E430-T432 PolarHBondContact O-N 2.95Å; E430-T432 VanDerWaalsContact O-N 3.12Å; T432-E434 PolarHBondContact O-N 3.43Å; T432-R435 PolarHBondContact O-N 3.48Å; T432-R435 VanDerWaalsContact OG1-CD 3.22Å; T432-R435 WeakPolarHBondContact OG1-CD 3.38Å; T432-R435 VanDerWaalsContact OG1-CZ 3.23Å; T432-R435 PolarHBondContact OG1-NE 3.44Å; T432-R435 PolarHBondContact OG1-NH1 2.92Å | ||
| 433 | K | 62.8 | Low | 75.7 | Confident | 149 Ų | 149 | 55.2 Ų | 55.2 | 65% | 0.648 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -42.7 | -29.4 | 177.3 | -67.1 | -175.4 | 177.1 | -175.7 | 0 | 114.9 | V437 | K433-V437 VanDerWaalsContact O-CG2 3.25Å; K433-V437 WeakPolarHBondContact O-CG2 3.39Å; K433-V437 PolarHBondContact O-N 3.25Å |
| 434 | E | 64.9 | Low | 75.8 | Confident | 165 Ų | 165 | 54.7 Ų | 54.7 | 77% | 0.771 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.3 | -39.2 | 178.5 | -66.8 | -179.3 | 172.3 | 0 | 0 | 113.4 | T432 V437 L438 | T432-E434 PolarHBondContact O-N 3.43Å; E434-V437 PolarHBondContact O-N 2.67Å; E434-L438 PolarHBondContact O-N 3.26Å |
| 435 | R | 66.2 | Low | 76 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -40.6 | -178.8 | -64.2 | 164 | -174 | 166.4 | 4.4 | 111.5 | P392 S395 T432 V437 L438 G439 | P392-R435 PolarHBondContact O-NE 3.05Å; P392-R435 PolarHBondContact O-NH1 2.93Å; P392-R435 VanDerWaalsContact O-NH1 3.09Å; P392-R435 PolarHBondContact O-NH2 3.09Å; S395-R435 WeakPolarHBondContact OG-CD 3.32Å; S395-R435 PolarHBondContact OG-NE 3.43Å; S395-R435 VanDerWaalsContact OG-NE 3.16Å; T432-R435 PolarHBondContact O-N 3.48Å; T432-R435 VanDerWaalsContact OG1-CD 3.22Å; T432-R435 WeakPolarHBondContact OG1-CD 3.38Å; T432-R435 VanDerWaalsContact OG1-CZ 3.23Å; T432-R435 PolarHBondContact OG1-NE 3.44Å; T432-R435 PolarHBondContact OG1-NH1 2.92Å; R435-V437 VanDerWaalsContact C-N 3.33Å; R435-V437 PolarHBondContact O-N 3.2Å; R435-L438 WeakPolarHBondContact O-CB 3.5Å; R435-L438 PolarHBondContact O-N 3.37Å; R435-G439 PolarHBondContact O-N 2.78Å |
| 436 | F | 71.6 | Confident | 76.3 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 172.3 | -178 | -90.2 | 0 | 0 | 0 | 111.4 | I426 L438 G439 L440 E466 | I426-F436 HydrophobicContact CB-CD2 4.49Å; I426-F436 HydrophobicContact CG2-CD2 3.37Å; I426-F436 HydrophobicContact CG2-CE2 3.47Å; I426-F436 VanDerWaalsContact CG2-CE2 3.47Å; I426-F436 HydrophobicContact CG2-CG 4.27Å; I426-F436 HydrophobicContact CG2-CZ 4.45Å; F436-L438 VanDerWaalsContact C-N 3.32Å; F436-L438 PolarHBondContact O-N 2.91Å; F436-G439 PolarHBondContact O-N 2.98Å; F436-L440 HydrophobicContact CD1-CD1 3.74Å; F436-L440 HydrophobicContact CD1-CG 4.48Å; F436-L440 HydrophobicContact CE1-CD1 3.37Å; F436-L440 HydrophobicContact CE1-CG 4.39Å; F436-L440 HydrophobicContact CZ-CD1 3.99Å; F436-L440 WeakPolarHBondContact O-CG 3.42Å; F436-L440 PolarHBondContact O-N 2.73Å; F436-E466 HydrophobicContact CE1-CB 4.31Å; F436-E466 HydrophobicContact CE2-CB 4.33Å; F436-E466 HydrophobicContact CE2-CG 4.16Å; F436-E466 HydrophobicContact CZ-CB 3.55Å; F436-E466 HydrophobicContact CZ-CG 3.83Å; F436-E466 WeakPolarHBondContact CZ-OE2 3.47Å |
| 437 | V | 76.5 | Confident | 76.8 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | K433 E434 R435 A441 | K433-V437 VanDerWaalsContact O-CG2 3.25Å; K433-V437 WeakPolarHBondContact O-CG2 3.39Å; K433-V437 PolarHBondContact O-N 3.25Å; E434-V437 PolarHBondContact O-N 2.67Å; R435-V437 VanDerWaalsContact C-N 3.33Å; R435-V437 PolarHBondContact O-N 3.2Å; V437-A441 WeakPolarHBondContact O-CB 3.23Å; V437-A441 PolarHBondContact O-N 2.62Å |
| 438 | L | 81.5 | Confident | 77.2 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -49.1 | 177.7 | -173.3 | 66.5 | 0 | 0 | 0 | 111.8 | E434 R435 F436 L440 A441 Y442 | E434-L438 PolarHBondContact O-N 3.26Å; R435-L438 WeakPolarHBondContact O-CB 3.5Å; R435-L438 PolarHBondContact O-N 3.37Å; F436-L438 VanDerWaalsContact C-N 3.32Å; F436-L438 PolarHBondContact O-N 2.91Å; L438-L440 PolarHBondContact O-N 3.5Å; L438-A441 WeakPolarHBondContact O-CB 3.48Å; L438-A441 PolarHBondContact O-N 3.34Å; L438-A441 VanDerWaalsContact O-N 3.13Å; L438-Y442 HydrophobicContact CD1-CE1 4.25Å; L438-Y442 HydrophobicContact CD1-CE2 3.8Å; L438-Y442 HydrophobicContact CD2-CE2 3.89Å; L438-Y442 HydrophobicContact CG-CD2 4.11Å; L438-Y442 HydrophobicContact CG-CE2 3.47Å; L438-Y442 VanDerWaalsContact CG-CE2 3.47Å; L438-Y442 WeakPolarHBondContact O-CD2 3.31Å; L438-Y442 PolarHBondContact O-N 2.97Å |
| 439 | G | 84.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R435 F436 A441 Y442 L443 | R435-G439 PolarHBondContact O-N 2.78Å; F436-G439 PolarHBondContact O-N 2.98Å; G439-A441 VanDerWaalsContact C-N 3.3Å; G439-A441 PolarHBondContact O-N 3.38Å; G439-Y442 PolarHBondContact O-N 3.08Å; G439-L443 WeakPolarHBondContact O-CG 3.25Å; G439-L443 PolarHBondContact O-N 3.08Å |
| 440 | L | 86.6 | Confident | 79 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 174.3 | -72.7 | 179.4 | 0 | 0 | 0 | 112.5 | I426 F436 L438 L443 C444 L462 L463 E466 Y476 | I426-L440 HydrophobicContact CD1-CD2 4.32Å; I426-L440 HydrophobicContact CD1-CG 4.47Å; F436-L440 HydrophobicContact CD1-CD1 3.74Å; F436-L440 HydrophobicContact CD1-CG 4.48Å; F436-L440 HydrophobicContact CE1-CD1 3.37Å; F436-L440 HydrophobicContact CE1-CG 4.39Å; F436-L440 HydrophobicContact CZ-CD1 3.99Å; F436-L440 WeakPolarHBondContact O-CG 3.42Å; F436-L440 PolarHBondContact O-N 2.73Å; L438-L440 PolarHBondContact O-N 3.5Å; L440-L443 PolarHBondContact O-N 3.28Å; L440-C444 WeakPolarHBondContact O-CB 3.4Å; L440-C444 PolarHBondContact O-N 3.36Å; L440-C444 PolarHBondContact O-SG 3.15Å; L440-L462 HydrophobicContact CD2-CD2 3.89Å; L440-L462 HydrophobicContact CD2-CG 4.22Å; L440-L463 HydrophobicContact CD2-CD2 4.07Å; L440-E466 HydrophobicContact CD1-CB 4.43Å; L440-Y476 HydrophobicContact CB-CE1 4.07Å |
| 441 | A | 88.4 | Confident | 80.3 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V437 L438 G439 C444 E445 | V437-A441 WeakPolarHBondContact O-CB 3.23Å; V437-A441 PolarHBondContact O-N 2.62Å; L438-A441 WeakPolarHBondContact O-CB 3.48Å; L438-A441 PolarHBondContact O-N 3.34Å; L438-A441 VanDerWaalsContact O-N 3.13Å; G439-A441 VanDerWaalsContact C-N 3.3Å; G439-A441 PolarHBondContact O-N 3.38Å; A441-C444 WeakPolarHBondContact O-CB 3.42Å; A441-C444 PolarHBondContact O-N 3.08Å; A441-E445 PolarHBondContact O-N 3.23Å |
| 442 | Y | 90.2 | Very high | 81.9 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.5 | -65.3 | -40.8 | 0 | 0 | 0 | 112.9 | L399 S403 L438 G439 C444 E445 F446 | L399-Y442 HydrophobicContact CB-CD2 4.42Å; L399-Y442 HydrophobicContact CB-CE2 4.12Å; S403-Y442 WeakPolarHBondContact OG-CD1 3.32Å; L438-Y442 HydrophobicContact CD1-CE1 4.25Å; L438-Y442 HydrophobicContact CD1-CE2 3.8Å; L438-Y442 HydrophobicContact CD2-CE2 3.89Å; L438-Y442 HydrophobicContact CG-CD2 4.11Å; L438-Y442 HydrophobicContact CG-CE2 3.47Å; L438-Y442 VanDerWaalsContact CG-CE2 3.47Å; L438-Y442 WeakPolarHBondContact O-CD2 3.31Å; L438-Y442 PolarHBondContact O-N 2.97Å; G439-Y442 PolarHBondContact O-N 3.08Å; Y442-C444 VanDerWaalsContact C-N 3.29Å; Y442-C444 PolarHBondContact O-N 3.18Å; Y442-E445 PolarHBondContact O-N 3.01Å; Y442-F446 PolarHBondContact O-N 3.03Å |
| 443 | L | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 173.3 | -66.8 | 178.8 | 0 | 0 | 0 | 111.9 | L406 V419 I422 I423 I426 G439 L440 F446 I447 I459 L462 | L406-L443 HydrophobicContact CD2-CD2 4.37Å; V419-L443 HydrophobicContact CG1-CD2 4.41Å; V419-L443 HydrophobicContact CG2-CD2 4.41Å; I422-L443 HydrophobicContact CB-CD2 4.31Å; I422-L443 HydrophobicContact CD1-CD2 4.21Å; I422-L443 HydrophobicContact CG2-CD1 3.92Å; I422-L443 HydrophobicContact CG2-CD2 3.98Å; I422-L443 HydrophobicContact CG2-CG 3.84Å; I423-L443 HydrophobicContact CG1-CD1 4.3Å; I426-L443 HydrophobicContact CD1-CD1 3.92Å; G439-L443 WeakPolarHBondContact O-CG 3.25Å; G439-L443 PolarHBondContact O-N 3.08Å; L440-L443 PolarHBondContact O-N 3.28Å; L443-F446 PolarHBondContact O-N 3.39Å; L443-I447 WeakPolarHBondContact O-CG2 3.34Å; L443-I447 PolarHBondContact O-N 2.93Å; L443-I447 VanDerWaalsContact O-N 3.11Å; L443-I459 HydrophobicContact CB-CG2 3.83Å; L443-I459 HydrophobicContact CD2-CD1 4.03Å; L443-I459 HydrophobicContact CD2-CG1 4.27Å; L443-L462 HydrophobicContact CD1-CD2 3.66Å |
| 444 | C | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 174.2 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | L440 A441 Y442 I447 L463 Y476 F479 | L440-C444 WeakPolarHBondContact O-CB 3.4Å; L440-C444 PolarHBondContact O-N 3.36Å; L440-C444 PolarHBondContact O-SG 3.15Å; A441-C444 WeakPolarHBondContact O-CB 3.42Å; A441-C444 PolarHBondContact O-N 3.08Å; Y442-C444 VanDerWaalsContact C-N 3.29Å; Y442-C444 PolarHBondContact O-N 3.18Å; C444-I447 WeakPolarHBondContact O-CG1 3.44Å; C444-L463 WeakPolarHBondContact SG-CD2 3.43Å; C444-Y476 WeakPolarHBondContact SG-CD1 3.4Å; C444-F479 HydrophobicContact CB-CB 4.42Å; C444-F479 HydrophobicContact CB-CD1 3.92Å; C444-F479 HydrophobicContact CB-CD2 4.02Å; C444-F479 HydrophobicContact CB-CE1 4.13Å; C444-F479 HydrophobicContact CB-CE2 4.23Å; C444-F479 HydrophobicContact CB-CG 3.87Å; C444-F479 HydrophobicContact CB-CZ 4.28Å |
| 445 | E | 89.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.7 | -70.4 | 176.1 | -175 | 0 | 0 | 110.8 | R407 A441 Y442 I447 E448 | R407-E445 IonicContact CZ-OE2 2.76Å; R407-E445 IonicContact NH2-OE2 2.87Å; R407-E445 PolarHBondContact NH2-OE2 3.19Å; A441-E445 PolarHBondContact O-N 3.23Å; Y442-E445 PolarHBondContact O-N 3.01Å; E445-I447 PolarHBondContact O-N 3.3Å; E445-E448 WeakPolarHBondContact O-CB 3.48Å; E445-E448 PolarHBondContact O-N 3.15Å; E445-E448 VanDerWaalsContact O-N 3.1Å |
| 446 | F | 90.5 | Very high | 87.4 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 13% | 0.127 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 179.6 | 176.1 | -112.4 | 0 | 0 | 0 | 113.2 | L406 K415 V419 Y442 L443 E448 D449 C450 L455 I459 | L406-F446 HydrophobicContact CD1-CD1 4.26Å; L406-F446 HydrophobicContact CD1-CD2 3.85Å; L406-F446 HydrophobicContact CD1-CE1 4.2Å; L406-F446 HydrophobicContact CD1-CE2 3.79Å; L406-F446 HydrophobicContact CD1-CG 4.08Å; L406-F446 HydrophobicContact CD1-CZ 3.96Å; L406-F446 HydrophobicContact CD2-CB 3.63Å; L406-F446 HydrophobicContact CD2-CD1 4.16Å; L406-F446 HydrophobicContact CD2-CD2 4.03Å; L406-F446 HydrophobicContact CD2-CG 3.67Å; L406-F446 HydrophobicContact CG-CB 4.1Å; L406-F446 HydrophobicContact CG-CD1 4.34Å; L406-F446 HydrophobicContact CG-CD2 3.53Å; L406-F446 HydrophobicContact CG-CE2 3.98Å; L406-F446 HydrophobicContact CG-CG 3.72Å; K415-F446 HydrophobicContact CD-CE2 4.26Å; K415-F446 HydrophobicContact CD-CZ 4.31Å; V419-F446 HydrophobicContact CG2-CD1 4.38Å; V419-F446 HydrophobicContact CG2-CE1 4.06Å; Y442-F446 PolarHBondContact O-N 3.03Å; L443-F446 PolarHBondContact O-N 3.39Å; F446-E448 PolarHBondContact O-N 3.2Å; F446-E448 VanDerWaalsContact O-N 3.16Å; F446-D449 PolarHBondContact O-N 3.44Å; F446-C450 HydrophobicContact CD1-CB 4.44Å; F446-C450 HydrophobicContact CE1-CB 4.17Å; F446-C450 VanDerWaalsContact CE1-SG 3.52Å; F446-C450 HydrophobicContact CZ-CB 4.33Å; F446-C450 WeakPolarHBondContact O-CB 3.39Å; F446-C450 PolarHBondContact O-N 3.46Å; F446-L455 HydrophobicContact CE1-CB 4.41Å; F446-L455 HydrophobicContact CE1-CD1 4.28Å; F446-L455 HydrophobicContact CZ-CD1 4.32Å; F446-I459 HydrophobicContact CD1-CD1 3.61Å; F446-I459 HydrophobicContact CE1-CD1 4.05Å |
| 447 | I | 90.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10 | 177.1 | 63.2 | 168.3 | 0 | 0 | 0 | 113.3 | L443 C444 E445 D449 I459 L460 L463 F479 R483 | L443-I447 WeakPolarHBondContact O-CG2 3.34Å; L443-I447 PolarHBondContact O-N 2.93Å; L443-I447 VanDerWaalsContact O-N 3.11Å; C444-I447 WeakPolarHBondContact O-CG1 3.44Å; E445-I447 PolarHBondContact O-N 3.3Å; I447-D449 VanDerWaalsContact C-N 3.32Å; I447-I459 HydrophobicContact CG2-CB 3.72Å; I447-I459 HydrophobicContact CG2-CD1 3.66Å; I447-I459 HydrophobicContact CG2-CG1 4.3Å; I447-I459 HydrophobicContact CG2-CG2 3.5Å; I447-I459 VanDerWaalsContact CG2-CG2 3.5Å; I447-L460 HydrophobicContact CD1-CD2 4.18Å; I447-L463 HydrophobicContact CD1-CD1 3.81Å; I447-F479 HydrophobicContact CD1-CB 4.46Å; I447-R483 HydrophobicContact CD1-CG 4.49Å; I447-R483 VanDerWaalsContact O-CD 3.25Å; I447-R483 WeakPolarHBondContact O-CD 3.21Å; I447-R483 PolarHBondContact O-NE 3.35Å; I447-R483 PolarHBondContact O-NH1 3.1Å |
| 448 | E | 87.4 | Confident | 89.1 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -34.8 | 174.7 | -65.2 | -165.2 | 148 | 0 | 0 | 113.2 | E445 F446 F479 R483 | E445-E448 WeakPolarHBondContact O-CB 3.48Å; E445-E448 PolarHBondContact O-N 3.15Å; E445-E448 VanDerWaalsContact O-N 3.1Å; F446-E448 PolarHBondContact O-N 3.2Å; F446-E448 VanDerWaalsContact O-N 3.16Å; E448-F479 HydrophobicContact CG-CD1 3.97Å; E448-F479 HydrophobicContact CG-CE1 4.27Å; E448-F479 WeakPolarHBondContact OE1-CD1 3.45Å; E448-F479 WeakPolarHBondContact OE1-CE1 3.38Å; E448-R483 PolarHBondContact O-NH2 2.98Å |
| 449 | D | 86.6 | Confident | 89.6 | Confident | 153 Ų | 153 | 41.6 Ų | 41.6 | 82% | 0.818 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -126.4 | 24.8 | -176.2 | -61.1 | -44 | 0 | 0 | 0 | 112.1 | F446 I447 E451 | F446-D449 PolarHBondContact O-N 3.44Å; I447-D449 VanDerWaalsContact C-N 3.32Å; D449-E451 PolarHBondContact O-N 2.87Å |
| 450 | C | 86.8 | Confident | 90 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | trans | -79.9 | 120.7 | -177.1 | -173.1 | 0 | 0 | 0 | 0 | 112 | F446 | F446-C450 HydrophobicContact CD1-CB 4.44Å; F446-C450 HydrophobicContact CE1-CB 4.17Å; F446-C450 VanDerWaalsContact CE1-SG 3.52Å; F446-C450 HydrophobicContact CZ-CB 4.33Å; F446-C450 WeakPolarHBondContact O-CB 3.39Å; F446-C450 PolarHBondContact O-N 3.46Å | ||
| 451 | E | 86.5 | Confident | 90.2 | Very high | 156 Ų | 156 | 48 Ų | 48 | 73% | 0.729 | 23% | 0.234 | S | C | * | . | trans | -83.8 | -10.8 | 175.2 | 57.3 | 171.9 | -159.4 | 0 | 0 | 114.3 | D449 | D449-E451 PolarHBondContact O-N 2.87Š| ||
| 452 | H | 89.3 | Confident | 90.2 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | trans | -99.9 | 108.4 | -173.8 | -57.4 | -39.1 | 0 | 0 | 0 | 112.2 | F412 S454 L455 A456 | F412-H452 HydrophobicContact CD2-CB 4.15Å; F412-H452 AromaticContact CD2-CG 3.86Å; F412-H452 HydrophobicContact CE2-CB 4.33Å; H452-S454 VanDerWaalsContact C-N 3.33Å; H452-S454 PolarHBondContact O-N 2.88Å; H452-L455 HydrophobicContact CB-CB 4.18Å; H452-L455 HydrophobicContact CB-CD1 4.03Å; H452-L455 HydrophobicContact CB-CG 3.99Å; H452-L455 PolarHBondContact O-N 2.99Å; H452-A456 PolarHBondContact O-N 3.47Å | ||
| 453 | I | 90.3 | Very high | 90.2 | Very high | 88 Ų | 88 | 46 Ų | 46 | 45% | 0.451 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.8 | -43.3 | -178 | -63.2 | 173.1 | 0 | 0 | 0 | 112.3 | A456 T457 A488 P490 V491 | I453-A456 PolarHBondContact O-N 2.87Å; I453-T457 HydrophobicContact CG2-CG2 4.33Å; I453-T457 WeakPolarHBondContact O-CB 3.48Å; I453-T457 VanDerWaalsContact O-CG2 3.22Å; I453-T457 WeakPolarHBondContact O-CG2 3.49Å; I453-T457 PolarHBondContact O-N 3.2Å; I453-T457 PolarHBondContact O-OG1 3.47Å; I453-A488 HydrophobicContact CD1-CB 4.17Å; I453-P490 HydrophobicContact CG2-CB 3.92Å; I453-P490 HydrophobicContact CG2-CG 4.3Å; I453-V491 HydrophobicContact CB-CG2 4.39Å; I453-V491 HydrophobicContact CG1-CG2 4.4Å; I453-V491 HydrophobicContact CG2-CG2 3.94Å |
| 454 | S | 91.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 46 Ų | 46 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | -179.6 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | F412 H452 T457 R458 | F412-S454 WeakPolarHBondContact CE2-OG 3.38Å; F412-S454 WeakPolarHBondContact CZ-OG 3.24Å; H452-S454 VanDerWaalsContact C-N 3.33Å; H452-S454 PolarHBondContact O-N 2.88Å; S454-T457 WeakPolarHBondContact CA-OG1 3.49Å; S454-T457 PolarHBondContact O-OG1 3.05Å; S454-R458 WeakPolarHBondContact O-CB 3.24Å; S454-R458 PolarHBondContact O-N 3.33Å; S454-R458 VanDerWaalsContact O-N 3.1Å |
| 455 | L | 91.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.4 | -43.8 | 176.6 | -59.1 | -176.4 | 0 | 0 | 0 | 111.4 | F412 K415 E416 V419 F446 H452 T457 R458 I459 | F412-L455 HydrophobicContact CE2-CD1 4.35Å; F412-L455 HydrophobicContact CE2-CD2 4.07Å; F412-L455 HydrophobicContact CE2-CG 3.87Å; F412-L455 HydrophobicContact CZ-CD2 4.38Å; K415-L455 HydrophobicContact CB-CD1 3.55Å; E416-L455 HydrophobicContact CB-CD2 4.01Å; E416-L455 HydrophobicContact CG-CD2 4.22Å; V419-L455 HydrophobicContact CG2-CD1 4.38Å; F446-L455 HydrophobicContact CE1-CB 4.41Å; F446-L455 HydrophobicContact CE1-CD1 4.28Å; F446-L455 HydrophobicContact CZ-CD1 4.32Å; H452-L455 HydrophobicContact CB-CB 4.18Å; H452-L455 HydrophobicContact CB-CD1 4.03Å; H452-L455 HydrophobicContact CB-CG 3.99Å; H452-L455 PolarHBondContact O-N 2.99Å; L455-T457 VanDerWaalsContact C-N 3.34Å; L455-T457 PolarHBondContact O-N 3.49Å; L455-R458 PolarHBondContact O-N 3.06Å; L455-I459 VanDerWaalsContact O-CG1 3.31Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 3.37Å |
| 456 | A | 92.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H452 I453 I459 L460 V491 | H452-A456 PolarHBondContact O-N 3.47Å; I453-A456 PolarHBondContact O-N 2.87Å; A456-I459 PolarHBondContact O-N 3.08Å; A456-L460 WeakPolarHBondContact O-CB 3.44Å; A456-L460 WeakPolarHBondContact O-CD1 3.45Å; A456-L460 WeakPolarHBondContact O-CG 3.3Å; A456-L460 PolarHBondContact O-N 3.17Å; A456-V491 HydrophobicContact CB-CG1 4.14Å; A456-V491 HydrophobicContact CB-CG2 4.22Å |
| 457 | T | 92.6 | Very high | 89.3 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.3 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | I453 S454 L455 L460 Y461 P490 V491 A494 | I453-T457 HydrophobicContact CG2-CG2 4.33Å; I453-T457 WeakPolarHBondContact O-CB 3.48Å; I453-T457 VanDerWaalsContact O-CG2 3.22Å; I453-T457 WeakPolarHBondContact O-CG2 3.49Å; I453-T457 PolarHBondContact O-N 3.2Å; I453-T457 PolarHBondContact O-OG1 3.47Å; S454-T457 WeakPolarHBondContact CA-OG1 3.49Å; S454-T457 PolarHBondContact O-OG1 3.05Å; L455-T457 VanDerWaalsContact C-N 3.34Å; L455-T457 PolarHBondContact O-N 3.49Å; T457-L460 PolarHBondContact O-N 2.85Å; T457-Y461 PolarHBondContact O-N 3.2Å; T457-P490 HydrophobicContact CG2-CB 4.45Å; T457-V491 HydrophobicContact CG2-CG2 4.29Å; T457-A494 HydrophobicContact CG2-CB 3.92Å |
| 458 | R | 91.6 | Very high | 89.1 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.2 | -173.2 | 173 | 179 | 176.9 | -7.8 | 112.6 | D420 I423 S454 L455 Y461 L462 | D420-R458 VanDerWaalsContact CG-CZ 3.43Å; D420-R458 IonicContact OD1-CZ 2.71Å; D420-R458 IonicContact OD1-NE 3.28Å; D420-R458 IonicContact OD1-NH1 2.8Å; D420-R458 PolarHBondContact OD1-NH1 3.41Å; D420-R458 IonicContact OD1-NH2 3.64Å; D420-R458 PolarHBondContact OD1-NH2 3.12Å; D420-R458 IonicContact OD2-CZ 3.84Å; D420-R458 VanDerWaalsContact OD2-CZ 3.31Å; D420-R458 IonicContact OD2-NH1 2.98Å; D420-R458 PolarHBondContact OD2-NH1 3.33Å; D420-R458 IonicContact OD2-NH2 3.07Å; D420-R458 PolarHBondContact OD2-NH2 3.34Å; I423-R458 HydrophobicContact CD1-CG 4.26Å; S454-R458 WeakPolarHBondContact O-CB 3.24Å; S454-R458 PolarHBondContact O-N 3.33Å; S454-R458 VanDerWaalsContact O-N 3.1Å; L455-R458 PolarHBondContact O-N 3.06Å; R458-Y461 WeakPolarHBondContact O-CB 3.4Å; R458-Y461 PolarHBondContact O-N 3.4Å; R458-L462 PolarHBondContact O-N 2.76Å |
| 459 | I | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 177.1 | -66.2 | 166.6 | 0 | 0 | 0 | 110.9 | V419 L443 F446 I447 L455 A456 Y461 L462 L463 | V419-I459 HydrophobicContact CG1-CD1 4.15Å; V419-I459 HydrophobicContact CG1-CG1 3.95Å; V419-I459 HydrophobicContact CG2-CD1 4.12Å; L443-I459 HydrophobicContact CB-CG2 3.83Å; L443-I459 HydrophobicContact CD2-CD1 4.03Å; L443-I459 HydrophobicContact CD2-CG1 4.27Å; F446-I459 HydrophobicContact CD1-CD1 3.61Å; F446-I459 HydrophobicContact CE1-CD1 4.05Å; I447-I459 HydrophobicContact CG2-CB 3.72Å; I447-I459 HydrophobicContact CG2-CD1 3.66Å; I447-I459 HydrophobicContact CG2-CG1 4.3Å; I447-I459 HydrophobicContact CG2-CG2 3.5Å; I447-I459 VanDerWaalsContact CG2-CG2 3.5Å; L455-I459 VanDerWaalsContact O-CG1 3.31Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 3.37Å; A456-I459 PolarHBondContact O-N 3.08Å; I459-Y461 VanDerWaalsContact C-N 3.3Å; I459-Y461 PolarHBondContact O-N 3.06Å; I459-L462 WeakPolarHBondContact O-CB 3.35Å; I459-L462 PolarHBondContact O-N 2.87Å; I459-L463 HydrophobicContact CG2-CD1 4.05Å; I459-L463 HydrophobicContact CG2-CG 4.31Å; I459-L463 WeakPolarHBondContact O-CG 3.37Å; I459-L463 PolarHBondContact O-N 3.13Å |
| 460 | L | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 174.9 | -75 | 168.4 | 0 | 0 | 0 | 111.9 | I447 A456 T457 L463 G464 I480 V491 A494 A495 A498 | I447-L460 HydrophobicContact CD1-CD2 4.18Å; A456-L460 WeakPolarHBondContact O-CB 3.44Å; A456-L460 WeakPolarHBondContact O-CD1 3.45Å; A456-L460 WeakPolarHBondContact O-CG 3.3Å; A456-L460 PolarHBondContact O-N 3.17Å; T457-L460 PolarHBondContact O-N 2.85Å; L460-L463 PolarHBondContact O-N 3.4Å; L460-G464 PolarHBondContact O-N 3.06Å; L460-I480 HydrophobicContact CD2-CB 4.38Å; L460-I480 HydrophobicContact CD2-CG1 4.09Å; L460-I480 HydrophobicContact CD2-CG2 4.16Å; L460-V491 HydrophobicContact CD1-CG1 3.6Å; L460-A494 HydrophobicContact CB-CB 4.23Å; L460-A494 HydrophobicContact CD1-CB 4.13Å; L460-A495 HydrophobicContact CD1-CB 4.03Å; L460-A495 HydrophobicContact CD2-CB 4.26Å; L460-A498 WeakPolarHBondContact O-CB 3.13Å |
| 461 | Y | 90.9 | Very high | 88.3 | Confident | 132 Ų | 132 | 52.7 Ų | 52.7 | 52% | 0.518 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -49 | 173.7 | 175.3 | -93.8 | 0 | 0 | 0 | 111.5 | T457 R458 I459 L463 G464 C465 | T457-Y461 PolarHBondContact O-N 3.2Å; R458-Y461 WeakPolarHBondContact O-CB 3.4Å; R458-Y461 PolarHBondContact O-N 3.4Å; I459-Y461 VanDerWaalsContact C-N 3.3Å; I459-Y461 PolarHBondContact O-N 3.06Å; Y461-L463 PolarHBondContact O-N 3.45Å; Y461-G464 PolarHBondContact O-N 2.58Å; Y461-C465 PolarHBondContact O-N 3.1Å; Y461-C465 VanDerWaalsContact O-N 3.07Å; Y461-C465 PolarHBondContact O-SG 2.95Å; Y461-C465 VanDerWaalsContact O-SG 3.4Å |
| 462 | L | 89.1 | Confident | 88.2 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.9 | -178.6 | 75 | 0 | 0 | 0 | 111.3 | I423 I426 L440 L443 R458 I459 G464 C465 E466 | I423-L462 HydrophobicContact CD1-CD2 4.48Å; I423-L462 HydrophobicContact CG1-CD2 3.94Å; I426-L462 HydrophobicContact CD1-CD2 4.45Å; L440-L462 HydrophobicContact CD2-CD2 3.89Å; L440-L462 HydrophobicContact CD2-CG 4.22Å; L443-L462 HydrophobicContact CD1-CD2 3.66Å; R458-L462 PolarHBondContact O-N 2.76Å; I459-L462 WeakPolarHBondContact O-CB 3.35Å; I459-L462 PolarHBondContact O-N 2.87Å; L462-G464 VanDerWaalsContact C-N 3.26Å; L462-G464 PolarHBondContact O-N 2.91Å; L462-C465 PolarHBondContact O-N 3.26Å; L462-C465 VanDerWaalsContact O-N 3.09Å; L462-E466 HydrophobicContact CD1-CG 4.05Å; L462-E466 WeakPolarHBondContact O-CB 3.36Å; L462-E466 PolarHBondContact O-N 3.36Å |
| 463 | L | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -38.3 | 177.4 | -73.5 | 171.6 | 0 | 0 | 0 | 112 | L440 C444 I447 I459 L460 Y461 G467 Y476 I480 F502 | L440-L463 HydrophobicContact CD2-CD2 4.07Å; C444-L463 WeakPolarHBondContact SG-CD2 3.43Å; I447-L463 HydrophobicContact CD1-CD1 3.81Å; I459-L463 HydrophobicContact CG2-CD1 4.05Å; I459-L463 HydrophobicContact CG2-CG 4.31Å; I459-L463 WeakPolarHBondContact O-CG 3.37Å; I459-L463 PolarHBondContact O-N 3.13Å; L460-L463 PolarHBondContact O-N 3.4Å; Y461-L463 PolarHBondContact O-N 3.45Å; L463-G467 WeakPolarHBondContact O-CA 3.36Å; L463-G467 PolarHBondContact O-N 3.01Å; L463-Y476 HydrophobicContact CD2-CD1 3.94Å; L463-Y476 HydrophobicContact CD2-CE1 4.42Å; L463-I480 HydrophobicContact CB-CD1 4.31Å; L463-I480 HydrophobicContact CD1-CG1 4.4Å; L463-F502 VanDerWaalsContact O-CE2 3.23Å; L463-F502 WeakPolarHBondContact O-CE2 3.46Å |
| 464 | G | 88.3 | Confident | 88 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L460 Y461 L462 P468 K501 | L460-G464 PolarHBondContact O-N 3.06Å; Y461-G464 PolarHBondContact O-N 2.58Å; L462-G464 VanDerWaalsContact C-N 3.26Å; L462-G464 PolarHBondContact O-N 2.91Å; G464-P468 WeakPolarHBondContact O-CD 3.47Å; G464-P468 WeakPolarHBondContact O-CG 3.23Å; G464-K501 WeakPolarHBondContact O-CB 3.5Å; G464-K501 WeakPolarHBondContact O-CD 3.36Å |
| 465 | C | 85.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.9 | -48.3 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | Y461 L462 K501 | Y461-C465 PolarHBondContact O-N 3.1Å; Y461-C465 VanDerWaalsContact O-N 3.07Å; Y461-C465 PolarHBondContact O-SG 2.95Å; Y461-C465 VanDerWaalsContact O-SG 3.4Å; L462-C465 PolarHBondContact O-N 3.26Å; L462-C465 VanDerWaalsContact O-N 3.09Å; C465-K501 PolarHBondContact SG-NZ 3.38Å |
| 466 | E | 84.1 | Confident | 87.7 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -101.9 | -31 | -165.9 | -73.1 | -42 | 132.9 | 0 | 0 | 113.8 | F436 L440 L462 P468 R469 | F436-E466 HydrophobicContact CE1-CB 4.31Å; F436-E466 HydrophobicContact CE2-CB 4.33Å; F436-E466 HydrophobicContact CE2-CG 4.16Å; F436-E466 HydrophobicContact CZ-CB 3.55Å; F436-E466 HydrophobicContact CZ-CG 3.83Å; F436-E466 WeakPolarHBondContact CZ-OE2 3.47Å; L440-E466 HydrophobicContact CD1-CB 4.43Å; L462-E466 HydrophobicContact CD1-CG 4.05Å; L462-E466 WeakPolarHBondContact O-CB 3.36Å; L462-E466 PolarHBondContact O-N 3.36Å; E466-P468 VanDerWaalsContact C-CD 3.42Å; E466-P468 VanDerWaalsContact C-N 3.35Å; E466-R469 WeakPolarHBondContact O-CB 3.4Å; E466-R469 PolarHBondContact O-N 3.36Å; E466-R469 IonicContact OE1-CZ 3.56Å; E466-R469 IonicContact OE1-NH1 2.79Å; E466-R469 PolarHBondContact OE1-NH1 3.48Å; E466-R469 WeakPolarHBondContact OE2-CD 3.45Å; E466-R469 IonicContact OE2-CZ 3.9Å; E466-R469 IonicContact OE2-NE 3.84Å; E466-R469 IonicContact OE2-NH1 3.43Å; E466-R469 PolarHBondContact OE2-NH1 3.18Å |
| 467 | G | 85.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -56.1 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L463 R469 C470 | L463-G467 WeakPolarHBondContact O-CA 3.36Å; L463-G467 PolarHBondContact O-N 3.01Å; G467-R469 PolarHBondContact O-N 3.24Å; G467-C470 WeakPolarHBondContact O-CB 3.47Å; G467-C470 PolarHBondContact O-N 3.48Å |
| 468 | P | 85.2 | Confident | 87.4 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -64.4 | -22 | 174.7 | -24 | 34.8 | 0 | 0 | 0 | 114.6 | G464 E466 F502 | G464-P468 WeakPolarHBondContact O-CD 3.47Å; G464-P468 WeakPolarHBondContact O-CG 3.23Å; E466-P468 VanDerWaalsContact C-CD 3.42Å; E466-P468 VanDerWaalsContact C-N 3.35Å; P468-F502 HydrophobicContact CG-CD1 4.21Å; P468-F502 HydrophobicContact CG-CD2 3.95Å; P468-F502 HydrophobicContact CG-CE1 4.41Å; P468-F502 HydrophobicContact CG-CE2 4.16Å; P468-F502 HydrophobicContact CG-CG 3.99Å; P468-F502 HydrophobicContact CG-CZ 4.39Å |
| 469 | R | 82 | Confident | 87.2 | Confident | 172 Ų | 172 | 61.4 Ų | 61.4 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -84.6 | -12.2 | -179.9 | -62.9 | 173.4 | 174 | 173.8 | -6.1 | 113 | E466 G467 | E466-R469 WeakPolarHBondContact O-CB 3.4Å; E466-R469 PolarHBondContact O-N 3.36Å; E466-R469 IonicContact OE1-CZ 3.56Å; E466-R469 IonicContact OE1-NH1 2.79Å; E466-R469 PolarHBondContact OE1-NH1 3.48Å; E466-R469 WeakPolarHBondContact OE2-CD 3.45Å; E466-R469 IonicContact OE2-CZ 3.9Å; E466-R469 IonicContact OE2-NE 3.84Å; E466-R469 IonicContact OE2-NH1 3.43Å; E466-R469 PolarHBondContact OE2-NH1 3.18Å; G467-R469 PolarHBondContact O-N 3.24Å |
| 470 | C | 81.9 | Confident | 87.2 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68.9 | 155.3 | 178.3 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | G467 N472 P473 Y476 | G467-C470 WeakPolarHBondContact O-CB 3.47Å; G467-C470 PolarHBondContact O-N 3.48Å; C470-N472 VanDerWaalsContact C-N 3.26Å; C470-N472 PolarHBondContact O-N 2.99Å; C470-P473 VanDerWaalsContact O-CD 3.31Å; C470-P473 WeakPolarHBondContact O-CD 3.42Å; C470-P473 WeakPolarHBondContact O-CG 3.46Å; C470-Y476 HydrophobicContact CB-CD2 4.46Å; C470-Y476 HydrophobicContact CB-CE2 3.72Å |
| 471 | R | 81 | Confident | 87 | Confident | 212 Ų | 212 | 62.9 Ų | 62.9 | 80% | 0.8 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -59.6 | -33.2 | 177.6 | -69.9 | -175.8 | 177.9 | 174.9 | 1 | 113.7 | ||
| 472 | N | 84.8 | Confident | 87 | Confident | 122 Ų | 122 | 59 Ų | 59 | 65% | 0.652 | 26% | 0.257 | S | S | * | . | trans | -126.5 | 74.2 | -178.2 | -72.5 | -22.8 | 0 | 0 | 0 | 111.7 | C470 R474 K475 | C470-N472 VanDerWaalsContact C-N 3.26Å; C470-N472 PolarHBondContact O-N 2.99Å; N472-R474 VanDerWaalsContact C-N 3.26Å; N472-R474 PolarHBondContact O-N 3.21Å; N472-K475 PolarHBondContact O-N 3.46Å | ||
| 473 | P | 85.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -32.1 | -176.7 | -22.8 | 34.1 | 0 | 0 | 0 | 113.3 | C470 K475 Y476 F502 L509 | C470-P473 VanDerWaalsContact O-CD 3.31Å; C470-P473 WeakPolarHBondContact O-CD 3.42Å; C470-P473 WeakPolarHBondContact O-CG 3.46Å; P473-K475 PolarHBondContact O-N 2.89Å; P473-K475 VanDerWaalsContact O-N 3.08Å; P473-Y476 PolarHBondContact O-N 3.3Å; P473-Y476 VanDerWaalsContact O-N 3.08Å; P473-F502 HydrophobicContact CB-CD1 4Å; P473-F502 HydrophobicContact CB-CE1 3.75Å; P473-F502 WeakPolarHBondContact O-CE1 3.18Å; P473-L509 HydrophobicContact CB-CD1 3.93Å |
| 474 | R | 88.9 | Confident | 86.6 | Confident | 150 Ų | 150 | 59.5 Ų | 59.5 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -53 | -32.3 | 179.3 | -74.1 | -175.8 | -177.1 | -101.7 | -4.9 | 113.7 | N472 Y476 L509 D512 | N472-R474 VanDerWaalsContact C-N 3.26Å; N472-R474 PolarHBondContact O-N 3.21Å; R474-Y476 VanDerWaalsContact C-N 3.31Å; R474-Y476 PolarHBondContact O-N 3.48Å; R474-L509 HydrophobicContact CG-CD1 3.95Å; R474-L509 HydrophobicContact CG-CD2 3.41Å; R474-L509 VanDerWaalsContact CG-CD2 3.41Å; R474-L509 HydrophobicContact CG-CG 4.36Å; R474-L509 VanDerWaalsContact NE-CD2 3.28Å; R474-D512 IonicContact CZ-OD2 3.92Å; R474-D512 IonicContact NH1-OD2 3.25Å; R474-D512 PolarHBondContact NH1-OD2 3.18Å; R474-D512 IonicContact NH2-OD2 3.9Å |
| 475 | K | 88.4 | Confident | 86.1 | Confident | 122 Ų | 122 | 64.9 Ų | 64.9 | 53% | 0.53 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | -179.4 | -176.5 | -178.7 | 175.2 | -172.5 | 0 | 111.6 | N472 P473 F479 | N472-K475 PolarHBondContact O-N 3.46Å; P473-K475 PolarHBondContact O-N 2.89Å; P473-K475 VanDerWaalsContact O-N 3.08Å; K475-F479 HydrophobicContact CG-CE2 4.19Å; K475-F479 VanDerWaalsContact O-CD2 3.31Å; K475-F479 WeakPolarHBondContact O-CD2 3.33Å |
| 476 | Y | 88.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.7 | -30.2 | -174.7 | -61.5 | -74.8 | 0 | 0 | 0 | 113 | L440 C444 L463 C470 P473 R474 R478 F479 I480 | L440-Y476 HydrophobicContact CB-CE1 4.07Å; C444-Y476 WeakPolarHBondContact SG-CD1 3.4Å; L463-Y476 HydrophobicContact CD2-CD1 3.94Å; L463-Y476 HydrophobicContact CD2-CE1 4.42Å; C470-Y476 HydrophobicContact CB-CD2 4.46Å; C470-Y476 HydrophobicContact CB-CE2 3.72Å; P473-Y476 PolarHBondContact O-N 3.3Å; P473-Y476 VanDerWaalsContact O-N 3.08Å; R474-Y476 VanDerWaalsContact C-N 3.31Å; R474-Y476 PolarHBondContact O-N 3.48Å; Y476-R478 PolarHBondContact O-N 3.24Å; Y476-F479 PolarHBondContact O-N 3.15Å; Y476-F479 VanDerWaalsContact O-N 3.12Å; Y476-I480 WeakPolarHBondContact O-CG1 3.39Å; Y476-I480 PolarHBondContact O-N 3.36Å; Y476-I480 VanDerWaalsContact O-N 3.12Å |
| 477 | I | 89.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -37.9 | 178.6 | -65.1 | 175.9 | 0 | 0 | 0 | 111.5 | I480 F481 L499 F502 L509 I513 L516 | I477-I480 PolarHBondContact O-N 3.21Å; I477-F481 VanDerWaalsContact O-CB 3.27Å; I477-F481 WeakPolarHBondContact O-CB 3.13Å; I477-F481 PolarHBondContact O-N 3.11Å; I477-L499 HydrophobicContact CG2-CD2 3.97Å; I477-F502 HydrophobicContact CD1-CD1 4.18Å; I477-F502 HydrophobicContact CG1-CD1 3.89Å; I477-F502 HydrophobicContact CG1-CE1 4.19Å; I477-F502 HydrophobicContact CG1-CG 4.34Å; I477-L509 HydrophobicContact CD1-CB 4.4Å; I477-L509 HydrophobicContact CD1-CD1 3.7Å; I477-L509 HydrophobicContact CD1-CG 4.5Å; I477-I513 HydrophobicContact CD1-CD1 3.87Å; I477-I513 HydrophobicContact CG1-CD1 4.32Å; I477-I513 HydrophobicContact CG2-CD1 4.32Å; I477-L516 HydrophobicContact CG2-CD1 3.78Å |
| 478 | R | 88.6 | Confident | 86 | Confident | 183 Ų | 183 | 72.1 Ų | 72.1 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 177.9 | -179.5 | 178.5 | 171.5 | 178 | -4.2 | 112 | Y476 I480 F481 N482 | Y476-R478 PolarHBondContact O-N 3.24Å; R478-I480 VanDerWaalsContact C-N 3.35Å; R478-F481 PolarHBondContact O-N 2.82Å; R478-N482 VanDerWaalsContact O-CG 3.27Å; R478-N482 PolarHBondContact O-N 3.31Å; R478-N482 VanDerWaalsContact O-N 3.11Å |
| 479 | F | 88.9 | Confident | 86.3 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.5 | -66.1 | -80.9 | 0 | 0 | 0 | 111.1 | C444 I447 E448 K475 Y476 | C444-F479 HydrophobicContact CB-CB 4.42Å; C444-F479 HydrophobicContact CB-CD1 3.92Å; C444-F479 HydrophobicContact CB-CD2 4.02Å; C444-F479 HydrophobicContact CB-CE1 4.13Å; C444-F479 HydrophobicContact CB-CE2 4.23Å; C444-F479 HydrophobicContact CB-CG 3.87Å; C444-F479 HydrophobicContact CB-CZ 4.28Å; I447-F479 HydrophobicContact CD1-CB 4.46Å; E448-F479 HydrophobicContact CG-CD1 3.97Å; E448-F479 HydrophobicContact CG-CE1 4.27Å; E448-F479 WeakPolarHBondContact OE1-CD1 3.45Å; E448-F479 WeakPolarHBondContact OE1-CE1 3.38Å; K475-F479 HydrophobicContact CG-CE2 4.19Å; K475-F479 VanDerWaalsContact O-CD2 3.31Å; K475-F479 WeakPolarHBondContact O-CD2 3.33Å; Y476-F479 PolarHBondContact O-N 3.15Å; Y476-F479 VanDerWaalsContact O-N 3.12Å |
| 480 | I | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 178.8 | -61.2 | 167.1 | 0 | 0 | 0 | 110.8 | L460 L463 Y476 I477 R478 N482 R483 V484 A495 A498 L499 F502 | L460-I480 HydrophobicContact CD2-CB 4.38Å; L460-I480 HydrophobicContact CD2-CG1 4.09Å; L460-I480 HydrophobicContact CD2-CG2 4.16Å; L463-I480 HydrophobicContact CB-CD1 4.31Å; L463-I480 HydrophobicContact CD1-CG1 4.4Å; Y476-I480 WeakPolarHBondContact O-CG1 3.39Å; Y476-I480 PolarHBondContact O-N 3.36Å; Y476-I480 VanDerWaalsContact O-N 3.12Å; I477-I480 PolarHBondContact O-N 3.21Å; R478-I480 VanDerWaalsContact C-N 3.35Å; I480-N482 PolarHBondContact O-N 3.05Å; I480-R483 WeakPolarHBondContact O-CB 3.24Å; I480-R483 PolarHBondContact O-N 2.82Å; I480-V484 PolarHBondContact O-N 3.39Å; I480-A495 HydrophobicContact CG2-CB 3.85Å; I480-A495 WeakPolarHBondContact CG2-O 2.78Å; I480-A498 HydrophobicContact CD1-CB 4.17Å; I480-A498 HydrophobicContact CG2-CB 4.11Å; I480-L499 HydrophobicContact CB-CD2 4.2Å; I480-L499 HydrophobicContact CG2-CD1 4.44Å; I480-L499 HydrophobicContact CG2-CD2 3.82Å; I480-L499 HydrophobicContact CG2-CG 3.69Å; I480-F502 HydrophobicContact CD1-CD2 4.11Å; I480-F502 HydrophobicContact CD1-CE2 3.51Å; I480-F502 HydrophobicContact CD1-CZ 4.1Å |
| 481 | F | 89.3 | Confident | 87.3 | Confident | 32 Ų | 32 | 67 Ų | 67 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.4 | -35.7 | -176.2 | -176.3 | -108.2 | 0 | 0 | 0 | 112.8 | I477 R478 R483 V484 L485 L499 L516 | I477-F481 VanDerWaalsContact O-CB 3.27Å; I477-F481 WeakPolarHBondContact O-CB 3.13Å; I477-F481 PolarHBondContact O-N 3.11Å; R478-F481 PolarHBondContact O-N 2.82Å; F481-R483 PolarHBondContact O-N 3.23Å; F481-V484 WeakPolarHBondContact O-CB 3.33Å; F481-V484 PolarHBondContact O-N 3.44Å; F481-V484 VanDerWaalsContact O-N 3.1Å; F481-L485 HydrophobicContact CE1-CD1 3.9Å; F481-L485 HydrophobicContact CZ-CD1 4.26Å; F481-L485 HydrophobicContact CZ-CG 4.49Å; F481-L499 HydrophobicContact CD2-CD1 4.46Å; F481-L516 HydrophobicContact CD2-CB 4.29Å; F481-L516 HydrophobicContact CD2-CD1 4.23Å; F481-L516 HydrophobicContact CD2-CD2 3.82Å; F481-L516 HydrophobicContact CD2-CG 4.33Å; F481-L516 HydrophobicContact CE1-CD2 4.4Å; F481-L516 HydrophobicContact CE2-CB 4.28Å; F481-L516 HydrophobicContact CE2-CD2 3.66Å; F481-L516 HydrophobicContact CE2-CG 4.44Å; F481-L516 HydrophobicContact CG-CD2 4.27Å; F481-L516 HydrophobicContact CZ-CD2 3.97Å |
| 482 | N | 89.3 | Confident | 87.9 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -35.2 | 175.5 | -75.1 | -7.6 | 0 | 0 | 0 | 112.3 | R478 I480 V484 L485 L486 | R478-N482 VanDerWaalsContact O-CG 3.27Å; R478-N482 PolarHBondContact O-N 3.31Å; R478-N482 VanDerWaalsContact O-N 3.11Å; I480-N482 PolarHBondContact O-N 3.05Å; N482-V484 VanDerWaalsContact C-N 3.34Å; N482-V484 PolarHBondContact O-N 3.16Å; N482-L485 PolarHBondContact O-N 3.48Å; N482-L486 PolarHBondContact O-N 2.9Å |
| 483 | R | 88.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.1 | -28.8 | 177.2 | -59.3 | -74.4 | 80.5 | 80.5 | -17.8 | 113 | I447 E448 I480 F481 L485 E487 V491 A495 | I447-R483 HydrophobicContact CD1-CG 4.49Å; I447-R483 VanDerWaalsContact O-CD 3.25Å; I447-R483 WeakPolarHBondContact O-CD 3.21Å; I447-R483 PolarHBondContact O-NE 3.35Å; I447-R483 PolarHBondContact O-NH1 3.1Å; E448-R483 PolarHBondContact O-NH2 2.98Å; I480-R483 WeakPolarHBondContact O-CB 3.24Å; I480-R483 PolarHBondContact O-N 2.82Å; F481-R483 PolarHBondContact O-N 3.23Å; R483-L485 PolarHBondContact O-N 2.84Å; R483-E487 HydrophobicContact CB-CG 3.98Å; R483-E487 HydrophobicContact CG-CG 4.45Å; R483-E487 IonicContact CZ-OE1 3.63Å; R483-E487 IonicContact NE-OE1 2.83Å; R483-E487 PolarHBondContact NE-OE1 2.69Å; R483-E487 IonicContact NH2-OE1 3.6Å; R483-E487 VanDerWaalsContact O-CB 3.3Å; R483-E487 WeakPolarHBondContact O-CB 3.4Å; R483-E487 WeakPolarHBondContact O-CG 3.39Å; R483-E487 PolarHBondContact O-N 3.42Å; R483-V491 HydrophobicContact CB-CG1 4.27Å; R483-A495 HydrophobicContact CB-CB 4.46Å |
| 484 | V | 83.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -25.8 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | I480 F481 N482 R492 A495 L499 | I480-V484 PolarHBondContact O-N 3.39Å; F481-V484 WeakPolarHBondContact O-CB 3.33Å; F481-V484 PolarHBondContact O-N 3.44Å; F481-V484 VanDerWaalsContact O-N 3.1Å; N482-V484 VanDerWaalsContact C-N 3.34Å; N482-V484 PolarHBondContact O-N 3.16Å; V484-R492 WeakPolarHBondContact O-CD 3.49Å; V484-A495 HydrophobicContact CG2-CB 3.54Å; V484-L499 HydrophobicContact CG2-CD1 4.2Å |
| 485 | L | 77.8 | Confident | 88.9 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 60% | 0.602 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -94.4 | -32.1 | -175.3 | -65.9 | 174.7 | 0 | 0 | 0 | 114.1 | F481 N482 R483 | F481-L485 HydrophobicContact CE1-CD1 3.9Å; F481-L485 HydrophobicContact CZ-CD1 4.26Å; F481-L485 HydrophobicContact CZ-CG 4.49Å; N482-L485 PolarHBondContact O-N 3.48Å; R483-L485 PolarHBondContact O-N 2.84Å |
| 486 | L | 78.2 | Confident | 89.2 | Confident | 133 Ų | 133 | 39.6 Ų | 39.6 | 70% | 0.696 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -111.6 | -12.3 | -162.5 | -62.7 | 175.3 | 0 | 0 | 0 | 114.3 | N482 | N482-L486 PolarHBondContact O-N 2.9Å |
| 487 | E | 84.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -107.8 | 172.1 | -165.7 | -59.7 | -67.1 | 167.7 | 0 | 0 | 114.2 | R483 V491 R492 | R483-E487 HydrophobicContact CB-CG 3.98Å; R483-E487 HydrophobicContact CG-CG 4.45Å; R483-E487 IonicContact CZ-OE1 3.63Å; R483-E487 IonicContact NE-OE1 2.83Å; R483-E487 PolarHBondContact NE-OE1 2.69Å; R483-E487 IonicContact NH2-OE1 3.6Å; R483-E487 VanDerWaalsContact O-CB 3.3Å; R483-E487 WeakPolarHBondContact O-CB 3.4Å; R483-E487 WeakPolarHBondContact O-CG 3.39Å; R483-E487 PolarHBondContact O-N 3.42Å; E487-V491 HydrophobicContact CB-CB 3.76Å; E487-V491 HydrophobicContact CB-CG1 3.81Å; E487-V491 HydrophobicContact CB-CG2 4.38Å; E487-V491 HydrophobicContact CG-CB 4.41Å; E487-V491 HydrophobicContact CG-CG1 3.92Å; E487-R492 PolarHBondContact O-NH1 2.86Å |
| 488 | A | 90.6 | Very high | 89.6 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | trans | -63.6 | 155.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | I453 P490 V491 R492 | I453-A488 HydrophobicContact CD1-CB 4.17Å; A488-P490 VanDerWaalsContact C-CD 3.48Å; A488-V491 WeakPolarHBondContact O-CB 3.4Å; A488-V491 PolarHBondContact O-N 3.06Å; A488-R492 PolarHBondContact O-N 2.72Å; A488-R492 VanDerWaalsContact O-N 3.11Å | ||
| 489 | A | 91.9 | Very high | 89.8 | Confident | 20 Ų | 20 | 30.6 Ų | 30.6 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -50.7 | -43.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V491 R492 A493 D525 | A489-V491 VanDerWaalsContact C-N 3.32Å; A489-V491 PolarHBondContact O-N 3.33Å; A489-R492 PolarHBondContact O-N 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.26Å; A489-A493 PolarHBondContact O-N 3.24Å; A489-D525 HydrophobicContact CB-CB 3.81Å; A489-D525 VanDerWaalsContact CB-CG 3.43Å; A489-D525 VanDerWaalsContact CB-OD2 3.27Å; A489-D525 WeakPolarHBondContact CB-OD2 3.18Å |
| 490 | P | 92.4 | Very high | 90 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 46% | 0.461 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.3 | -38 | 178 | -24.1 | 34.8 | 0 | 0 | 0 | 113.5 | I453 T457 A488 A493 A494 | I453-P490 HydrophobicContact CG2-CB 3.92Å; I453-P490 HydrophobicContact CG2-CG 4.3Å; T457-P490 HydrophobicContact CG2-CB 4.45Å; A488-P490 VanDerWaalsContact C-CD 3.48Å; P490-A493 PolarHBondContact O-N 2.97Å; P490-A494 PolarHBondContact O-N 2.98Å |
| 491 | V | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 178 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | I453 A456 T457 L460 R483 E487 A488 A489 A493 A494 A495 | I453-V491 HydrophobicContact CB-CG2 4.39Å; I453-V491 HydrophobicContact CG1-CG2 4.4Å; I453-V491 HydrophobicContact CG2-CG2 3.94Å; A456-V491 HydrophobicContact CB-CG1 4.14Å; A456-V491 HydrophobicContact CB-CG2 4.22Å; T457-V491 HydrophobicContact CG2-CG2 4.29Å; L460-V491 HydrophobicContact CD1-CG1 3.6Å; R483-V491 HydrophobicContact CB-CG1 4.27Å; E487-V491 HydrophobicContact CB-CB 3.76Å; E487-V491 HydrophobicContact CB-CG1 3.81Å; E487-V491 HydrophobicContact CB-CG2 4.38Å; E487-V491 HydrophobicContact CG-CB 4.41Å; E487-V491 HydrophobicContact CG-CG1 3.92Å; A488-V491 WeakPolarHBondContact O-CB 3.4Å; A488-V491 PolarHBondContact O-N 3.06Å; A489-V491 VanDerWaalsContact C-N 3.32Å; A489-V491 PolarHBondContact O-N 3.33Å; V491-A493 PolarHBondContact O-N 3.15Å; V491-A494 PolarHBondContact O-N 2.75Å; V491-A495 WeakPolarHBondContact O-CB 3.31Å; V491-A495 PolarHBondContact O-N 3.36Å |
| 492 | R | 93.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 28.1 Ų | 28.1 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.7 | -60.2 | -160.8 | -59.1 | -94 | 7.2 | 111.7 | V484 E487 A488 A489 A494 A495 V496 D523 V528 | V484-R492 WeakPolarHBondContact O-CD 3.49Å; E487-R492 PolarHBondContact O-NH1 2.86Å; A488-R492 PolarHBondContact O-N 2.72Å; A488-R492 VanDerWaalsContact O-N 3.11Å; A489-R492 PolarHBondContact O-N 3.29Å; R492-A494 PolarHBondContact O-N 3.22Å; R492-A495 PolarHBondContact O-N 3.32Å; R492-V496 WeakPolarHBondContact O-CG2 2.99Å; R492-V496 PolarHBondContact O-N 2.91Å; R492-D523 WeakPolarHBondContact CD-OD2 3.21Å; R492-D523 IonicContact CZ-OD1 2.65Å; R492-D523 IonicContact CZ-OD2 3.13Å; R492-D523 IonicContact NE-OD1 3.26Å; R492-D523 PolarHBondContact NE-OD1 2.7Å; R492-D523 IonicContact NE-OD2 3.58Å; R492-D523 PolarHBondContact NE-OD2 3.08Å; R492-D523 IonicContact NH2-OD1 2.81Å; R492-D523 PolarHBondContact NH2-OD1 3.15Å; R492-D523 IonicContact NH2-OD2 2.94Å; R492-V528 HydrophobicContact CB-CG1 4.28Å; R492-V528 HydrophobicContact CB-CG2 3.81Å |
| 493 | A | 93.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A489 P490 V491 T497 E527 V528 R531 | A489-A493 WeakPolarHBondContact O-CB 3.26Å; A489-A493 PolarHBondContact O-N 3.24Å; P490-A493 PolarHBondContact O-N 2.97Å; V491-A493 PolarHBondContact O-N 3.15Å; A493-T497 PolarHBondContact O-N 3.17Å; A493-T497 VanDerWaalsContact O-N 3.14Å; A493-T497 PolarHBondContact O-OG1 3.35Å; A493-E527 HydrophobicContact CB-CG 4.22Å; A493-V528 HydrophobicContact CB-CG2 4.07Å; A493-R531 PolarHBondContact O-NH1 3.32Å |
| 494 | A | 93 | Very high | 90.3 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 13% | 0.132 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T457 L460 P490 V491 R492 T497 A498 | T457-A494 HydrophobicContact CG2-CB 3.92Å; L460-A494 HydrophobicContact CB-CB 4.23Å; L460-A494 HydrophobicContact CD1-CB 4.13Å; P490-A494 PolarHBondContact O-N 2.98Å; V491-A494 PolarHBondContact O-N 2.75Å; R492-A494 PolarHBondContact O-N 3.22Å; A494-T497 WeakPolarHBondContact O-CB 3.38Å; A494-T497 PolarHBondContact O-N 2.98Å; A494-A498 PolarHBondContact O-N 2.71Å |
| 495 | A | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L460 I480 R483 V484 V491 R492 T497 A498 L499 | L460-A495 HydrophobicContact CD1-CB 4.03Å; L460-A495 HydrophobicContact CD2-CB 4.26Å; I480-A495 HydrophobicContact CG2-CB 3.85Å; I480-A495 WeakPolarHBondContact CG2-O 2.78Å; R483-A495 HydrophobicContact CB-CB 4.46Å; V484-A495 HydrophobicContact CG2-CB 3.54Å; V491-A495 WeakPolarHBondContact O-CB 3.31Å; V491-A495 PolarHBondContact O-N 3.36Å; R492-A495 PolarHBondContact O-N 3.32Å; A495-T497 VanDerWaalsContact C-N 3.29Å; A495-T497 PolarHBondContact O-N 3.38Å; A495-A498 PolarHBondContact O-N 2.91Å; A495-L499 WeakPolarHBondContact O-CG 3.29Å; A495-L499 PolarHBondContact O-N 2.8Å |
| 496 | V | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 172.8 | 163.9 | 0 | 0 | 0 | 0 | 111.3 | R492 L499 A500 L517 C520 V528 R531 A532 Y535 | R492-V496 WeakPolarHBondContact O-CG2 2.99Å; R492-V496 PolarHBondContact O-N 2.91Å; V496-L499 PolarHBondContact O-N 2.98Å; V496-A500 PolarHBondContact O-N 3.15Å; V496-L517 HydrophobicContact CG1-CD2 3.85Å; V496-C520 HydrophobicContact CG2-CB 4.14Å; V496-V528 HydrophobicContact CG2-CG1 3.95Å; V496-R531 HydrophobicContact CG1-CB 3.88Å; V496-A532 HydrophobicContact CG1-CB 4.13Å; V496-Y535 HydrophobicContact CG1-CD2 3.9Å; V496-Y535 HydrophobicContact CG1-CE2 4.28Å |
| 497 | T | 93.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 13% | 0.129 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.4 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | A493 A494 A495 A500 K501 R531 Y535 | A493-T497 PolarHBondContact O-N 3.17Å; A493-T497 VanDerWaalsContact O-N 3.14Å; A493-T497 PolarHBondContact O-OG1 3.35Å; A494-T497 WeakPolarHBondContact O-CB 3.38Å; A494-T497 PolarHBondContact O-N 2.98Å; A495-T497 VanDerWaalsContact C-N 3.29Å; A495-T497 PolarHBondContact O-N 3.38Å; T497-A500 WeakPolarHBondContact O-CB 3.12Å; T497-A500 PolarHBondContact O-N 3.48Å; T497-K501 PolarHBondContact O-N 2.86Å; T497-K501 VanDerWaalsContact O-N 3.1Å; T497-R531 PolarHBondContact OG1-NH1 3.39Å; T497-Y535 HydrophobicContact CG2-CE2 4.19Å; T497-Y535 WeakPolarHBondContact CG2-OH 3.5Å |
| 498 | A | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L460 I480 A494 A495 A500 K501 F502 | L460-A498 WeakPolarHBondContact O-CB 3.13Å; I480-A498 HydrophobicContact CD1-CB 4.17Å; I480-A498 HydrophobicContact CG2-CB 4.11Å; A494-A498 PolarHBondContact O-N 2.71Å; A495-A498 PolarHBondContact O-N 2.91Å; A498-A500 VanDerWaalsContact C-N 3.3Å; A498-A500 PolarHBondContact O-N 3.43Å; A498-K501 WeakPolarHBondContact O-CB 3.41Å; A498-K501 PolarHBondContact O-N 3.07Å; A498-K501 VanDerWaalsContact O-N 3.14Å; A498-F502 WeakPolarHBondContact O-CD2 3.06Å; A498-F502 PolarHBondContact O-N 2.96Å; A498-F502 VanDerWaalsContact O-N 3.14Å |
| 499 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 175.1 | -70.1 | 174.7 | 0 | 0 | 0 | 111.8 | I477 I480 F481 V484 A495 V496 K501 F502 G503 I513 L516 L517 | I477-L499 HydrophobicContact CG2-CD2 3.97Å; I480-L499 HydrophobicContact CB-CD2 4.2Å; I480-L499 HydrophobicContact CG2-CD1 4.44Å; I480-L499 HydrophobicContact CG2-CD2 3.82Å; I480-L499 HydrophobicContact CG2-CG 3.69Å; F481-L499 HydrophobicContact CD2-CD1 4.46Å; V484-L499 HydrophobicContact CG2-CD1 4.2Å; A495-L499 WeakPolarHBondContact O-CG 3.29Å; A495-L499 PolarHBondContact O-N 2.8Å; V496-L499 PolarHBondContact O-N 2.98Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 3.36Å; L499-F502 WeakPolarHBondContact O-CB 3.47Å; L499-F502 PolarHBondContact O-N 3.29Å; L499-F502 VanDerWaalsContact O-N 3.14Å; L499-G503 PolarHBondContact O-N 2.87Å; L499-I513 HydrophobicContact CB-CD1 4.26Å; L499-I513 HydrophobicContact CB-CG2 4.38Å; L499-I513 HydrophobicContact CD2-CD1 3.79Å; L499-I513 VanDerWaalsContact O-CG2 3.29Å; L499-I513 WeakPolarHBondContact O-CG2 3.35Å; L499-L516 HydrophobicContact CD2-CD1 4.39Å; L499-L517 HydrophobicContact CB-CD2 4.42Å |
| 500 | A | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V496 T497 A498 G503 T504 Y535 I551 | V496-A500 PolarHBondContact O-N 3.15Å; T497-A500 WeakPolarHBondContact O-CB 3.12Å; T497-A500 PolarHBondContact O-N 3.48Å; A498-A500 VanDerWaalsContact C-N 3.3Å; A498-A500 PolarHBondContact O-N 3.43Å; A500-G503 PolarHBondContact O-N 2.88Å; A500-T504 PolarHBondContact O-N 3.44Å; A500-T504 PolarHBondContact O-OG1 3.46Å; A500-Y535 HydrophobicContact CB-CD1 4.05Å; A500-Y535 HydrophobicContact CB-CD2 3.54Å; A500-Y535 HydrophobicContact CB-CE2 4.2Å; A500-Y535 HydrophobicContact CB-CG 3.47Å; A500-Y535 VanDerWaalsContact CB-CG 3.47Å; A500-I551 HydrophobicContact CB-CG2 3.87Å |
| 501 | K | 91.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.5 | -68.9 | 179.2 | 176.4 | -174.9 | 0 | 112.3 | G464 C465 T497 A498 L499 T504 S505 I551 | G464-K501 WeakPolarHBondContact O-CB 3.5Å; G464-K501 WeakPolarHBondContact O-CD 3.36Å; C465-K501 PolarHBondContact SG-NZ 3.38Å; T497-K501 PolarHBondContact O-N 2.86Å; T497-K501 VanDerWaalsContact O-N 3.1Å; A498-K501 WeakPolarHBondContact O-CB 3.41Å; A498-K501 PolarHBondContact O-N 3.07Å; A498-K501 VanDerWaalsContact O-N 3.14Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 3.36Å; K501-T504 PolarHBondContact O-N 3.43Å; K501-S505 PolarHBondContact O-N 3.32Å; K501-S505 PolarHBondContact O-OG 3.05Å; K501-I551 WeakPolarHBondContact CE-O 3.31Å; K501-I551 HydrophobicContact CG-CG2 3.89Å |
| 502 | F | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 171.5 | -84.2 | -104 | 0 | 0 | 0 | 112 | L463 P468 P473 I477 I480 A498 L499 T504 C506 I513 | L463-F502 VanDerWaalsContact O-CE2 3.23Å; L463-F502 WeakPolarHBondContact O-CE2 3.46Å; P468-F502 HydrophobicContact CG-CD1 4.21Å; P468-F502 HydrophobicContact CG-CD2 3.95Å; P468-F502 HydrophobicContact CG-CE1 4.41Å; P468-F502 HydrophobicContact CG-CE2 4.16Å; P468-F502 HydrophobicContact CG-CG 3.99Å; P468-F502 HydrophobicContact CG-CZ 4.39Å; P473-F502 HydrophobicContact CB-CD1 4Å; P473-F502 HydrophobicContact CB-CE1 3.75Å; P473-F502 WeakPolarHBondContact O-CE1 3.18Å; I477-F502 HydrophobicContact CD1-CD1 4.18Å; I477-F502 HydrophobicContact CG1-CD1 3.89Å; I477-F502 HydrophobicContact CG1-CE1 4.19Å; I477-F502 HydrophobicContact CG1-CG 4.34Å; I480-F502 HydrophobicContact CD1-CD2 4.11Å; I480-F502 HydrophobicContact CD1-CE2 3.51Å; I480-F502 HydrophobicContact CD1-CZ 4.1Å; A498-F502 WeakPolarHBondContact O-CD2 3.06Å; A498-F502 PolarHBondContact O-N 2.96Å; A498-F502 VanDerWaalsContact O-N 3.14Å; L499-F502 WeakPolarHBondContact O-CB 3.47Å; L499-F502 PolarHBondContact O-N 3.29Å; L499-F502 VanDerWaalsContact O-N 3.14Å; F502-T504 VanDerWaalsContact C-N 3.27Å; F502-T504 PolarHBondContact O-N 3.15Å; F502-C506 VanDerWaalsContact O-CB 3.3Å; F502-C506 WeakPolarHBondContact O-CB 3.39Å; F502-C506 PolarHBondContact O-N 3.18Å; F502-I513 HydrophobicContact CB-CD1 4.21Å; F502-I513 HydrophobicContact CB-CG1 4.43Å |
| 503 | G | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -29 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L499 A500 R510 L539 | L499-G503 PolarHBondContact O-N 2.87Å; A500-G503 PolarHBondContact O-N 2.88Å; G503-R510 PolarHBondContact O-NE 2.9Å; G503-L539 VanDerWaalsContact C-CD2 3.48Å |
| 504 | T | 89.7 | Confident | 91.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.4 | -57.4 | 175.6 | -56 | 0 | 0 | 0 | 0 | 110 | A500 K501 F502 R510 M547 I551 V552 | A500-T504 PolarHBondContact O-N 3.44Å; A500-T504 PolarHBondContact O-OG1 3.46Å; K501-T504 PolarHBondContact O-N 3.43Å; F502-T504 VanDerWaalsContact C-N 3.27Å; F502-T504 PolarHBondContact O-N 3.15Å; T504-R510 PolarHBondContact O-NH2 2.88Å; T504-M547 HydrophobicContact CG2-CB 3.64Å; T504-I551 WeakPolarHBondContact OG1-CD1 3.35Å; T504-V552 HydrophobicContact CG2-CG2 3.8Å |
| 505 | S | 87.1 | Confident | 91.2 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 39% | 0.392 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -76.3 | -29.7 | -172.4 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | K501 | K501-S505 PolarHBondContact O-N 3.32Å; K501-S505 PolarHBondContact O-OG 3.05Å |
| 506 | C | 87.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | trans | -110.3 | 94.6 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | F502 D508 L509 R510 | F502-C506 VanDerWaalsContact O-CB 3.3Å; F502-C506 WeakPolarHBondContact O-CB 3.39Å; F502-C506 PolarHBondContact O-N 3.18Å; C506-D508 VanDerWaalsContact C-N 3.28Å; C506-D508 PolarHBondContact O-N 3.29Å; C506-L509 HydrophobicContact CB-CB 4.15Å; C506-L509 HydrophobicContact CB-CD1 3.98Å; C506-L509 HydrophobicContact CB-CG 4.07Å; C506-L509 PolarHBondContact O-N 3.45Å; C506-R510 PolarHBondContact O-N 2.94Å | ||
| 507 | K | 86.9 | Confident | 91.1 | Very high | 140 Ų | 140 | 32.5 Ų | 32.5 | 61% | 0.609 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -53.8 | -41.8 | -179.2 | -62.5 | -172.1 | 179.8 | -169.2 | 0 | 113.3 | L509 R510 E544 | K507-L509 PolarHBondContact O-N 3.29Å; K507-R510 WeakPolarHBondContact O-CB 3.23Å; K507-R510 PolarHBondContact O-N 2.8Å; K507-E544 VanDerWaalsContact CE-OE1 3.28Å; K507-E544 WeakPolarHBondContact CE-OE1 3.4Å; K507-E544 IonicContact NZ-OE1 3.75Å |
| 508 | D | 88.3 | Confident | 91.1 | Very high | 139 Ų | 139 | 36.8 Ų | 36.8 | 74% | 0.743 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -66.4 | -19.3 | -178.6 | -59.5 | -28 | 0 | 0 | 0 | 114.2 | C506 | C506-D508 VanDerWaalsContact C-N 3.28Å; C506-D508 PolarHBondContact O-N 3.29Å |
| 509 | L | 90.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -103.8 | -5.7 | -178.1 | -55.3 | -179.1 | 0 | 0 | 0 | 112.2 | P473 R474 I477 C506 K507 S511 D512 I513 | P473-L509 HydrophobicContact CB-CD1 3.93Å; R474-L509 HydrophobicContact CG-CD1 3.95Å; R474-L509 HydrophobicContact CG-CD2 3.41Å; R474-L509 VanDerWaalsContact CG-CD2 3.41Å; R474-L509 HydrophobicContact CG-CG 4.36Å; R474-L509 VanDerWaalsContact NE-CD2 3.28Å; I477-L509 HydrophobicContact CD1-CB 4.4Å; I477-L509 HydrophobicContact CD1-CD1 3.7Å; I477-L509 HydrophobicContact CD1-CG 4.5Å; C506-L509 HydrophobicContact CB-CB 4.15Å; C506-L509 HydrophobicContact CB-CD1 3.98Å; C506-L509 HydrophobicContact CB-CG 4.07Å; C506-L509 PolarHBondContact O-N 3.45Å; K507-L509 PolarHBondContact O-N 3.29Å; L509-S511 PolarHBondContact O-N 2.66Å; L509-D512 WeakPolarHBondContact O-CB 3.48Å; L509-D512 PolarHBondContact O-N 3.45Å; L509-D512 VanDerWaalsContact O-N 3.11Å; L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 3.44Å |
| 510 | R | 90.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | -172.5 | -172.3 | 174.1 | -64.6 | 160.1 | -4 | 112.6 | G503 T504 C506 K507 D512 I513 I514 E544 | G503-R510 PolarHBondContact O-NE 2.9Å; T504-R510 PolarHBondContact O-NH2 2.88Å; C506-R510 PolarHBondContact O-N 2.94Å; K507-R510 WeakPolarHBondContact O-CB 3.23Å; K507-R510 PolarHBondContact O-N 2.8Å; R510-D512 VanDerWaalsContact C-N 3.32Å; R510-D512 PolarHBondContact O-N 3.5Å; R510-I513 PolarHBondContact O-N 2.95Å; R510-I514 HydrophobicContact CG-CD1 3.99Å; R510-I514 VanDerWaalsContact O-CG1 3.26Å; R510-I514 WeakPolarHBondContact O-CG1 3.17Å; R510-I514 PolarHBondContact O-N 3.48Å; R510-E544 IonicContact CZ-OE1 2.68Å; R510-E544 VanDerWaalsContact CZ-OE1 3.28Å; R510-E544 IonicContact CZ-OE2 3.46Å; R510-E544 IonicContact NH1-OE1 3.7Å; R510-E544 PolarHBondContact NH1-OE1 2.95Å; R510-E544 VanDerWaalsContact NH2-CD 3.29Å; R510-E544 IonicContact NH2-OE1 3.32Å; R510-E544 PolarHBondContact NH2-OE1 3.39Å; R510-E544 IonicContact NH2-OE2 3.77Å; R510-E544 PolarHBondContact NH2-OE2 3.21Å |
| 511 | S | 91.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 51% | 0.51 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | L509 T515 | L509-S511 PolarHBondContact O-N 2.66Å; S511-T515 PolarHBondContact O-N 3.45Å; S511-T515 VanDerWaalsContact O-N 3.13Å; S511-T515 PolarHBondContact O-OG1 2.96Å |
| 512 | D | 91.5 | Very high | 90.7 | Very high | 69 Ų | 69 | 52 Ų | 52 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 179.3 | -62.7 | -13.2 | 0 | 0 | 0 | 109.2 | R474 L509 R510 I514 T515 L516 | R474-D512 IonicContact CZ-OD2 3.92Å; R474-D512 IonicContact NH1-OD2 3.25Å; R474-D512 PolarHBondContact NH1-OD2 3.18Å; R474-D512 IonicContact NH2-OD2 3.9Å; L509-D512 WeakPolarHBondContact O-CB 3.48Å; L509-D512 PolarHBondContact O-N 3.45Å; L509-D512 VanDerWaalsContact O-N 3.11Å; R510-D512 VanDerWaalsContact C-N 3.32Å; R510-D512 PolarHBondContact O-N 3.5Å; D512-I514 PolarHBondContact O-N 3.31Å; D512-T515 WeakPolarHBondContact O-CB 3.36Å; D512-T515 PolarHBondContact O-N 2.91Å; D512-L516 WeakPolarHBondContact O-CG 3.36Å; D512-L516 PolarHBondContact O-N 2.98Å |
| 513 | I | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.4 | -65.4 | -60.4 | 0 | 0 | 0 | 112.1 | I477 L499 F502 L509 R510 T515 L516 L517 L539 | I477-I513 HydrophobicContact CD1-CD1 3.87Å; I477-I513 HydrophobicContact CG1-CD1 4.32Å; I477-I513 HydrophobicContact CG2-CD1 4.32Å; L499-I513 HydrophobicContact CB-CD1 4.26Å; L499-I513 HydrophobicContact CB-CG2 4.38Å; L499-I513 HydrophobicContact CD2-CD1 3.79Å; L499-I513 VanDerWaalsContact O-CG2 3.29Å; L499-I513 WeakPolarHBondContact O-CG2 3.35Å; F502-I513 HydrophobicContact CB-CD1 4.21Å; F502-I513 HydrophobicContact CB-CG1 4.43Å; L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 3.44Å; R510-I513 PolarHBondContact O-N 2.95Å; I513-T515 PolarHBondContact O-N 3.11Å; I513-L516 HydrophobicContact CD1-CD1 4.3Å; I513-L516 PolarHBondContact O-N 3.15Å; I513-L516 VanDerWaalsContact O-N 3.09Å; I513-L517 HydrophobicContact CG2-CD1 3.93Å; I513-L517 HydrophobicContact CG2-CG 4.15Å; I513-L517 WeakPolarHBondContact O-CG 3.21Å; I513-L517 PolarHBondContact O-N 3.34Å; I513-L539 HydrophobicContact CG2-CD1 3.9Å |
| 514 | I | 92.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 176.4 | -72 | 166.3 | 0 | 0 | 0 | 110.4 | R510 D512 L516 L517 Q518 R536 L539 | R510-I514 HydrophobicContact CG-CD1 3.99Å; R510-I514 VanDerWaalsContact O-CG1 3.26Å; R510-I514 WeakPolarHBondContact O-CG1 3.17Å; R510-I514 PolarHBondContact O-N 3.48Å; D512-I514 PolarHBondContact O-N 3.31Å; I514-L516 VanDerWaalsContact C-N 3.35Å; I514-L516 PolarHBondContact O-N 2.75Å; I514-L517 PolarHBondContact O-N 2.91Å; I514-Q518 WeakPolarHBondContact O-CB 3.44Å; I514-Q518 PolarHBondContact O-N 3.4Å; I514-R536 HydrophobicContact CG2-CG 4.48Å; I514-L539 HydrophobicContact CD1-CB 4.15Å; I514-L539 HydrophobicContact CG1-CB 3.93Å; I514-L539 HydrophobicContact CG1-CD1 4.3Å |
| 515 | T | 92.3 | Very high | 91 | Very high | 71 Ų | 71 | 60 Ų | 60 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | S511 D512 I513 | S511-T515 PolarHBondContact O-N 3.45Å; S511-T515 VanDerWaalsContact O-N 3.13Å; S511-T515 PolarHBondContact O-OG1 2.96Å; D512-T515 WeakPolarHBondContact O-CB 3.36Å; D512-T515 PolarHBondContact O-N 2.91Å; I513-T515 PolarHBondContact O-N 3.11Å |
| 516 | L | 91.9 | Very high | 91.3 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 176.1 | -63.5 | 177.6 | 0 | 0 | 0 | 111.9 | I477 F481 L499 D512 I513 I514 Q518 R519 C520 | I477-L516 HydrophobicContact CG2-CD1 3.78Å; F481-L516 HydrophobicContact CD2-CB 4.29Å; F481-L516 HydrophobicContact CD2-CD1 4.23Å; F481-L516 HydrophobicContact CD2-CD2 3.82Å; F481-L516 HydrophobicContact CD2-CG 4.33Å; F481-L516 HydrophobicContact CE1-CD2 4.4Å; F481-L516 HydrophobicContact CE2-CB 4.28Å; F481-L516 HydrophobicContact CE2-CD2 3.66Å; F481-L516 HydrophobicContact CE2-CG 4.44Å; F481-L516 HydrophobicContact CG-CD2 4.27Å; F481-L516 HydrophobicContact CZ-CD2 3.97Å; L499-L516 HydrophobicContact CD2-CD1 4.39Å; D512-L516 WeakPolarHBondContact O-CG 3.36Å; D512-L516 PolarHBondContact O-N 2.98Å; I513-L516 HydrophobicContact CD1-CD1 4.3Å; I513-L516 PolarHBondContact O-N 3.15Å; I513-L516 VanDerWaalsContact O-N 3.09Å; I514-L516 VanDerWaalsContact C-N 3.35Å; I514-L516 PolarHBondContact O-N 2.75Å; L516-Q518 VanDerWaalsContact C-N 3.28Å; L516-Q518 PolarHBondContact O-N 2.88Å; L516-R519 WeakPolarHBondContact O-CB 3.29Å; L516-R519 PolarHBondContact O-N 2.76Å; L516-R519 VanDerWaalsContact O-N 3.14Å; L516-C520 PolarHBondContact O-SG 3.2Å; L516-C520 VanDerWaalsContact O-SG 3.35Å |
| 517 | L | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -34 | 176.7 | -69.1 | 176.4 | 0 | 0 | 0 | 112 | V496 L499 I513 I514 R519 C520 R536 L539 | V496-L517 HydrophobicContact CG1-CD2 3.85Å; L499-L517 HydrophobicContact CB-CD2 4.42Å; I513-L517 HydrophobicContact CG2-CD1 3.93Å; I513-L517 HydrophobicContact CG2-CG 4.15Å; I513-L517 WeakPolarHBondContact O-CG 3.21Å; I513-L517 PolarHBondContact O-N 3.34Å; I514-L517 PolarHBondContact O-N 2.91Å; L517-R519 PolarHBondContact O-N 3.38Å; L517-C520 WeakPolarHBondContact O-CB 3.49Å; L517-C520 PolarHBondContact O-N 2.97Å; L517-R536 HydrophobicContact CB-CB 4.38Å; L517-L539 HydrophobicContact CD1-CD1 3.6Å |
| 518 | Q | 92.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 59 Ų | 59 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -32.8 | 175.2 | -173 | 174.9 | -6.1 | 0 | 0 | 112.5 | I514 L516 C520 L521 | I514-Q518 WeakPolarHBondContact O-CB 3.44Å; I514-Q518 PolarHBondContact O-N 3.4Å; L516-Q518 VanDerWaalsContact C-N 3.28Å; L516-Q518 PolarHBondContact O-N 2.88Å; Q518-C520 VanDerWaalsContact C-N 3.28Å; Q518-C520 PolarHBondContact O-N 3.04Å; Q518-L521 HydrophobicContact CB-CD1 4.49Å; Q518-L521 HydrophobicContact CG-CD1 4.09Å; Q518-L521 WeakPolarHBondContact O-CB 3.48Å; Q518-L521 WeakPolarHBondContact O-CG 3.37Å; Q518-L521 PolarHBondContact O-N 2.83Å |
| 519 | R | 90 | Very high | 92 | Very high | 157 Ų | 157 | 56.1 Ų | 56.1 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70.8 | -25 | 174.8 | -62 | 179.8 | -179.1 | -173.8 | -0.3 | 112.6 | L516 L517 L521 V522 | L516-R519 WeakPolarHBondContact O-CB 3.29Å; L516-R519 PolarHBondContact O-N 2.76Å; L516-R519 VanDerWaalsContact O-N 3.14Å; L517-R519 PolarHBondContact O-N 3.38Å; R519-L521 VanDerWaalsContact C-N 3.27Å; R519-L521 PolarHBondContact O-N 3.25Å; R519-V522 VanDerWaalsContact O-CG2 3.26Å; R519-V522 WeakPolarHBondContact O-CG2 3.36Å |
| 520 | C | 91.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78.8 | -10.7 | 179.2 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | V496 L516 L517 Q518 V522 D523 A532 | V496-C520 HydrophobicContact CG2-CB 4.14Å; L516-C520 PolarHBondContact O-SG 3.2Å; L516-C520 VanDerWaalsContact O-SG 3.35Å; L517-C520 WeakPolarHBondContact O-CB 3.49Å; L517-C520 PolarHBondContact O-N 2.97Å; Q518-C520 VanDerWaalsContact C-N 3.28Å; Q518-C520 PolarHBondContact O-N 3.04Å; C520-V522 PolarHBondContact O-N 3.23Å; C520-D523 WeakPolarHBondContact O-CB 3.34Å; C520-D523 PolarHBondContact O-N 2.91Å; C520-A532 HydrophobicContact CB-CB 3.57Å |
| 521 | L | 91.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.1 | 178 | -59 | 175.2 | 0 | 0 | 0 | 113.3 | Q518 R519 R529 A532 S533 | Q518-L521 HydrophobicContact CB-CD1 4.49Å; Q518-L521 HydrophobicContact CG-CD1 4.09Å; Q518-L521 WeakPolarHBondContact O-CB 3.48Å; Q518-L521 WeakPolarHBondContact O-CG 3.37Å; Q518-L521 PolarHBondContact O-N 2.83Å; R519-L521 VanDerWaalsContact C-N 3.27Å; R519-L521 PolarHBondContact O-N 3.25Å; L521-R529 WeakPolarHBondContact O-CD 3.26Å; L521-A532 HydrophobicContact CD2-CB 4.18Å; L521-S533 WeakPolarHBondContact CD2-OG 3.23Å |
| 522 | V | 91.2 | Very high | 92.5 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 78% | 0.782 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 13.5 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | R519 C520 | R519-V522 VanDerWaalsContact O-CG2 3.26Å; R519-V522 WeakPolarHBondContact O-CG2 3.36Å; C520-V522 PolarHBondContact O-N 3.23Å |
| 523 | D | 91.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | trans | -59.9 | 151.4 | 174.9 | -161.8 | -70.2 | 0 | 0 | 0 | 110.5 | R492 C520 D525 V528 R529 | R492-D523 WeakPolarHBondContact CD-OD2 3.21Å; R492-D523 IonicContact CZ-OD1 2.65Å; R492-D523 IonicContact CZ-OD2 3.13Å; R492-D523 IonicContact NE-OD1 3.26Å; R492-D523 PolarHBondContact NE-OD1 2.7Å; R492-D523 IonicContact NE-OD2 3.58Å; R492-D523 PolarHBondContact NE-OD2 3.08Å; R492-D523 IonicContact NH2-OD1 2.81Å; R492-D523 PolarHBondContact NH2-OD1 3.15Å; R492-D523 IonicContact NH2-OD2 2.94Å; C520-D523 WeakPolarHBondContact O-CB 3.34Å; C520-D523 PolarHBondContact O-N 2.91Å; D523-D525 VanDerWaalsContact C-N 3.31Å; D523-D525 PolarHBondContact OD1-N 3.21Å; D523-V528 HydrophobicContact CB-CB 4.11Å; D523-V528 HydrophobicContact CB-CG1 3.84Å; D523-R529 HydrophobicContact CB-CG 4.1Å; D523-R529 WeakPolarHBondContact O-CD 3.46Å; D523-R529 WeakPolarHBondContact O-CG 3.23Å; D523-R529 PolarHBondContact O-NH1 3.48Å | ||
| 524 | S | 91.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 62.2 Ų | 62.2 | 70% | 0.699 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -72.7 | -25.7 | 178.5 | 54 | 0 | 0 | 0 | 0 | 112.8 | R529 | S524-R529 PolarHBondContact O-NH1 3.45Š|
| 525 | D | 93.7 | Very high | 92.6 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -92.5 | 135.9 | -177.2 | -174.9 | -92.4 | 0 | 0 | 0 | 112.8 | A489 D523 E527 V528 R529 | A489-D525 HydrophobicContact CB-CB 3.81Å; A489-D525 VanDerWaalsContact CB-CG 3.43Å; A489-D525 VanDerWaalsContact CB-OD2 3.27Å; A489-D525 WeakPolarHBondContact CB-OD2 3.18Å; D523-D525 VanDerWaalsContact C-N 3.31Å; D523-D525 PolarHBondContact OD1-N 3.21Å; D525-E527 WeakPolarHBondContact OD1-CB 3.31Å; D525-E527 PolarHBondContact OD1-N 3.25Å; D525-E527 VanDerWaalsContact OD1-N 3.08Å; D525-V528 HydrophobicContact CB-CB 4.33Å; D525-V528 HydrophobicContact CB-CG2 3.95Å; D525-V528 PolarHBondContact OD1-N 3.32Å; D525-R529 WeakPolarHBondContact O-CG 3.23Å; D525-R529 PolarHBondContact O-N 3.22Å; D525-R529 VanDerWaalsContact O-N 3.12Å |
| 526 | D | 93.4 | Very high | 92.7 | Very high | 103 Ų | 103 | 63.5 Ų | 63.5 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.6 | -45.7 | -173.5 | -14.6 | -27.3 | 0 | 0 | 0 | 111.4 | V528 R529 D530 | D526-V528 VanDerWaalsContact C-N 3.31Å; D526-V528 PolarHBondContact O-N 2.88Å; D526-R529 PolarHBondContact O-N 3.39Å; D526-R529 IonicContact OD1-NH2 3.34Å; D526-R529 PolarHBondContact OD1-NH2 3.05Å; D526-D530 WeakPolarHBondContact O-CB 3.18Å; D526-D530 VanDerWaalsContact O-CG 3.28Å; D526-D530 PolarHBondContact O-N 3.27Å |
| 527 | E | 92.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | -178.7 | 178.6 | 67.1 | -172.5 | 0 | 0 | 110.8 | A493 D525 R531 | A493-E527 HydrophobicContact CB-CG 4.22Å; D525-E527 WeakPolarHBondContact OD1-CB 3.31Å; D525-E527 PolarHBondContact OD1-N 3.25Å; D525-E527 VanDerWaalsContact OD1-N 3.08Å; E527-R531 WeakPolarHBondContact O-CB 3.39Å; E527-R531 VanDerWaalsContact O-CG 3.32Å; E527-R531 WeakPolarHBondContact O-CG 3.47Å; E527-R531 PolarHBondContact O-N 2.83Å; E527-R531 IonicContact OE1-CZ 2.76Å; E527-R531 IonicContact OE1-NE 3.89Å; E527-R531 PolarHBondContact OE1-NE 2.79Å; E527-R531 IonicContact OE1-NH2 2.91Å; E527-R531 PolarHBondContact OE1-NH2 3.16Å |
| 528 | V | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | R492 A493 V496 D523 D525 D526 A532 | R492-V528 HydrophobicContact CB-CG1 4.28Å; R492-V528 HydrophobicContact CB-CG2 3.81Å; A493-V528 HydrophobicContact CB-CG2 4.07Å; V496-V528 HydrophobicContact CG2-CG1 3.95Å; D523-V528 HydrophobicContact CB-CB 4.11Å; D523-V528 HydrophobicContact CB-CG1 3.84Å; D525-V528 HydrophobicContact CB-CB 4.33Å; D525-V528 HydrophobicContact CB-CG2 3.95Å; D525-V528 PolarHBondContact OD1-N 3.32Å; D526-V528 VanDerWaalsContact C-N 3.31Å; D526-V528 PolarHBondContact O-N 2.88Å; V528-A532 VanDerWaalsContact O-CB 3.25Å; V528-A532 WeakPolarHBondContact O-CB 3.32Å; V528-A532 PolarHBondContact O-N 3.46Å |
| 529 | R | 94 | Very high | 92.4 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 178.1 | -74.1 | -168.3 | -59.4 | -95.1 | -5.9 | 111.9 | L521 D523 S524 D525 D526 A532 S533 | L521-R529 WeakPolarHBondContact O-CD 3.26Å; D523-R529 HydrophobicContact CB-CG 4.1Å; D523-R529 WeakPolarHBondContact O-CD 3.46Å; D523-R529 WeakPolarHBondContact O-CG 3.23Å; D523-R529 PolarHBondContact O-NH1 3.48Å; S524-R529 PolarHBondContact O-NH1 3.45Å; D525-R529 WeakPolarHBondContact O-CG 3.23Å; D525-R529 PolarHBondContact O-N 3.22Å; D525-R529 VanDerWaalsContact O-N 3.12Å; D526-R529 PolarHBondContact O-N 3.39Å; D526-R529 IonicContact OD1-NH2 3.34Å; D526-R529 PolarHBondContact OD1-NH2 3.05Å; R529-A532 PolarHBondContact O-N 3.47Å; R529-S533 VanDerWaalsContact O-CB 3.26Å; R529-S533 WeakPolarHBondContact O-CB 3.42Å; R529-S533 PolarHBondContact O-N 3.3Å; R529-S533 PolarHBondContact O-OG 2.87Å |
| 530 | D | 94.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.2 | -45.3 | -176.9 | -74.7 | -6.1 | 0 | 0 | 0 | 111.1 | D526 A532 S533 C534 | D526-D530 WeakPolarHBondContact O-CB 3.18Å; D526-D530 VanDerWaalsContact O-CG 3.28Å; D526-D530 PolarHBondContact O-N 3.27Å; D530-A532 PolarHBondContact O-N 3.14Å; D530-S533 PolarHBondContact O-N 3.44Å; D530-C534 VanDerWaalsContact O-CB 3.28Å; D530-C534 WeakPolarHBondContact O-CB 2.95Å; D530-C534 PolarHBondContact O-N 3.3Å |
| 531 | R | 93.6 | Very high | 92.1 | Very high | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 171.6 | -73.7 | -173.4 | -170.6 | -167.3 | 8.4 | 111.8 | A493 V496 T497 E527 S533 C534 Y535 | A493-R531 PolarHBondContact O-NH1 3.32Å; V496-R531 HydrophobicContact CG1-CB 3.88Å; T497-R531 PolarHBondContact OG1-NH1 3.39Å; E527-R531 WeakPolarHBondContact O-CB 3.39Å; E527-R531 VanDerWaalsContact O-CG 3.32Å; E527-R531 WeakPolarHBondContact O-CG 3.47Å; E527-R531 PolarHBondContact O-N 2.83Å; E527-R531 IonicContact OE1-CZ 2.76Å; E527-R531 IonicContact OE1-NE 3.89Å; E527-R531 PolarHBondContact OE1-NE 2.79Å; E527-R531 IonicContact OE1-NH2 2.91Å; E527-R531 PolarHBondContact OE1-NH2 3.16Å; R531-S533 VanDerWaalsContact C-N 3.33Å; R531-S533 PolarHBondContact O-N 3.41Å; R531-C534 PolarHBondContact O-N 3.35Å; R531-Y535 HydrophobicContact CB-CD2 4.13Å; R531-Y535 HydrophobicContact CB-CE2 3.81Å; R531-Y535 HydrophobicContact CG-CE2 4.21Å; R531-Y535 WeakPolarHBondContact O-CB 3.48Å; R531-Y535 WeakPolarHBondContact O-CD2 3.33Å; R531-Y535 VanDerWaalsContact O-CG 3.23Å; R531-Y535 PolarHBondContact O-N 3.15Å |
| 532 | A | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V496 C520 L521 V528 R529 D530 R536 | V496-A532 HydrophobicContact CG1-CB 4.13Å; C520-A532 HydrophobicContact CB-CB 3.57Å; L521-A532 HydrophobicContact CD2-CB 4.18Å; V528-A532 VanDerWaalsContact O-CB 3.25Å; V528-A532 WeakPolarHBondContact O-CB 3.32Å; V528-A532 PolarHBondContact O-N 3.46Å; R529-A532 PolarHBondContact O-N 3.47Å; D530-A532 PolarHBondContact O-N 3.14Å; A532-R536 WeakPolarHBondContact O-CB 3.27Å; A532-R536 PolarHBondContact O-N 3.45Å |
| 533 | S | 93.6 | Very high | 91.2 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | L521 R529 D530 R531 A537 | L521-S533 WeakPolarHBondContact CD2-OG 3.23Å; R529-S533 VanDerWaalsContact O-CB 3.26Å; R529-S533 WeakPolarHBondContact O-CB 3.42Å; R529-S533 PolarHBondContact O-N 3.3Å; R529-S533 PolarHBondContact O-OG 2.87Å; D530-S533 PolarHBondContact O-N 3.44Å; R531-S533 VanDerWaalsContact C-N 3.33Å; R531-S533 PolarHBondContact O-N 3.41Å; S533-A537 WeakPolarHBondContact O-CB 3.25Å; S533-A537 PolarHBondContact O-N 2.84Å |
| 534 | C | 92.6 | Very high | 90.8 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -52.9 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | D530 R531 R536 A537 L538 | D530-C534 VanDerWaalsContact O-CB 3.28Å; D530-C534 WeakPolarHBondContact O-CB 2.95Å; D530-C534 PolarHBondContact O-N 3.3Å; R531-C534 PolarHBondContact O-N 3.35Å; C534-R536 PolarHBondContact O-N 2.99Å; C534-A537 PolarHBondContact O-N 2.97Å; C534-L538 WeakPolarHBondContact O-CG 3.36Å; C534-L538 PolarHBondContact O-N 3.45Å |
| 535 | Y | 93.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 14% | 0.137 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | -179.1 | -63 | -37.2 | 0 | 0 | 0 | 112.5 | V496 T497 A500 R531 L538 L539 I551 | V496-Y535 HydrophobicContact CG1-CD2 3.9Å; V496-Y535 HydrophobicContact CG1-CE2 4.28Å; T497-Y535 HydrophobicContact CG2-CE2 4.19Å; T497-Y535 WeakPolarHBondContact CG2-OH 3.5Å; A500-Y535 HydrophobicContact CB-CD1 4.05Å; A500-Y535 HydrophobicContact CB-CD2 3.54Å; A500-Y535 HydrophobicContact CB-CE2 4.2Å; A500-Y535 HydrophobicContact CB-CG 3.47Å; A500-Y535 VanDerWaalsContact CB-CG 3.47Å; R531-Y535 HydrophobicContact CB-CD2 4.13Å; R531-Y535 HydrophobicContact CB-CE2 3.81Å; R531-Y535 HydrophobicContact CG-CE2 4.21Å; R531-Y535 WeakPolarHBondContact O-CB 3.48Å; R531-Y535 WeakPolarHBondContact O-CD2 3.33Å; R531-Y535 VanDerWaalsContact O-CG 3.23Å; R531-Y535 PolarHBondContact O-N 3.15Å; Y535-L538 HydrophobicContact CD1-CD1 4.38Å; Y535-L538 PolarHBondContact O-N 2.96Å; Y535-L539 WeakPolarHBondContact O-CB 3.3Å; Y535-L539 VanDerWaalsContact O-CG 3.22Å; Y535-L539 WeakPolarHBondContact O-CG 3.44Å; Y535-L539 PolarHBondContact O-N 3.42Å; Y535-I551 HydrophobicContact CD1-CD1 4.03Å; Y535-I551 HydrophobicContact CD1-CG1 3.84Å; Y535-I551 HydrophobicContact CE1-CG1 4.08Å; Y535-I551 HydrophobicContact CE1-CG2 4.5Å |
| 536 | R | 93.1 | Very high | 89.9 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 172.4 | 175.4 | -178.6 | 149 | -113.3 | -5.6 | 111 | I514 L517 A532 C534 L538 L539 C540 | I514-R536 HydrophobicContact CG2-CG 4.48Å; L517-R536 HydrophobicContact CB-CB 4.38Å; A532-R536 WeakPolarHBondContact O-CB 3.27Å; A532-R536 PolarHBondContact O-N 3.45Å; C534-R536 PolarHBondContact O-N 2.99Å; R536-L538 VanDerWaalsContact C-N 3.35Å; R536-L538 PolarHBondContact O-N 3.32Å; R536-L539 PolarHBondContact O-N 3.35Å; R536-C540 WeakPolarHBondContact O-CB 3.41Å; R536-C540 PolarHBondContact O-N 3.03Å; R536-C540 PolarHBondContact O-SG 3.28Å |
| 537 | A | 91.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S533 C534 C540 T541 | S533-A537 WeakPolarHBondContact O-CB 3.25Å; S533-A537 PolarHBondContact O-N 2.84Å; C534-A537 PolarHBondContact O-N 2.97Å; A537-C540 PolarHBondContact O-N 3.41Å; A537-T541 WeakPolarHBondContact O-CG2 3.48Å; A537-T541 PolarHBondContact O-N 3.13Å |
| 538 | L | 90.8 | Very high | 89.2 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 176.4 | -72.9 | 170 | 0 | 0 | 0 | 112.2 | C534 Y535 R536 C540 T541 L546 Q550 I551 | C534-L538 WeakPolarHBondContact O-CG 3.36Å; C534-L538 PolarHBondContact O-N 3.45Å; Y535-L538 HydrophobicContact CD1-CD1 4.38Å; Y535-L538 PolarHBondContact O-N 2.96Å; R536-L538 VanDerWaalsContact C-N 3.35Å; R536-L538 PolarHBondContact O-N 3.32Å; L538-C540 PolarHBondContact O-N 2.94Å; L538-T541 WeakPolarHBondContact O-CB 3.48Å; L538-T541 PolarHBondContact O-N 3.36Å; L538-T541 PolarHBondContact O-OG1 3.35Å; L538-L546 HydrophobicContact CD2-CD2 3.92Å; L538-L546 HydrophobicContact CD2-CG 4.09Å; L538-Q550 HydrophobicContact CD1-CB 4.08Å; L538-I551 HydrophobicContact CB-CD1 4.12Å; L538-I551 HydrophobicContact CD1-CD1 4.16Å; L538-I551 HydrophobicContact CD1-CG1 4.06Å |
| 539 | L | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -28.4 | 178.3 | -69.4 | 173.9 | 0 | 0 | 0 | 113.1 | G503 I513 I514 L517 Y535 R536 M547 I551 | G503-L539 VanDerWaalsContact C-CD2 3.48Å; I513-L539 HydrophobicContact CG2-CD1 3.9Å; I514-L539 HydrophobicContact CD1-CB 4.15Å; I514-L539 HydrophobicContact CG1-CB 3.93Å; I514-L539 HydrophobicContact CG1-CD1 4.3Å; L517-L539 HydrophobicContact CD1-CD1 3.6Å; Y535-L539 WeakPolarHBondContact O-CB 3.3Å; Y535-L539 VanDerWaalsContact O-CG 3.22Å; Y535-L539 WeakPolarHBondContact O-CG 3.44Å; Y535-L539 PolarHBondContact O-N 3.42Å; R536-L539 PolarHBondContact O-N 3.35Å; L539-M547 HydrophobicContact CD2-SD 3.69Å; L539-I551 HydrophobicContact CD2-CD1 4.48Å |
| 540 | C | 89.2 | Confident | 88.2 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.4 | -21.5 | 174.5 | -72.9 | 0 | 0 | 0 | 0 | 113.6 | R536 A537 L538 M542 | R536-C540 WeakPolarHBondContact O-CB 3.41Å; R536-C540 PolarHBondContact O-N 3.03Å; R536-C540 PolarHBondContact O-SG 3.28Å; A537-C540 PolarHBondContact O-N 3.41Å; L538-C540 PolarHBondContact O-N 2.94Å; C540-M542 PolarHBondContact O-N 3.18Å |
| 541 | T | 86.3 | Confident | 87.7 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -24.2 | 178 | 64.8 | 0 | 0 | 0 | 0 | 113 | A537 L538 D543 | A537-T541 WeakPolarHBondContact O-CG2 3.48Å; A537-T541 PolarHBondContact O-N 3.13Å; L538-T541 WeakPolarHBondContact O-CB 3.48Å; L538-T541 PolarHBondContact O-N 3.36Å; L538-T541 PolarHBondContact O-OG1 3.35Å; T541-D543 PolarHBondContact O-N 3.25Å; T541-D543 PolarHBondContact OG1-N 3.04Å |
| 542 | M | 77.5 | Confident | 86.9 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | trans | 59.7 | 15.8 | -174.5 | -56.1 | -68.2 | 168 | 0 | 0 | 114.3 | C540 E544 | C540-M542 PolarHBondContact O-N 3.18Å; M542-E544 PolarHBondContact O-N 3.18Å | ||
| 543 | D | 86 | Confident | 85.8 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | trans | -87.2 | 99.2 | 173.8 | -175.8 | -17 | 0 | 0 | 0 | 110 | T541 D545 L546 M547 | T541-D543 PolarHBondContact O-N 3.25Å; T541-D543 PolarHBondContact OG1-N 3.04Å; D543-D545 VanDerWaalsContact C-N 3.31Å; D543-D545 PolarHBondContact O-N 3.11Å; D543-D545 PolarHBondContact OD1-N 2.93Å; D543-L546 HydrophobicContact CB-CB 3.95Å; D543-L546 PolarHBondContact O-N 3.25Å; D543-L546 PolarHBondContact OD1-N 3.36Å; D543-L546 VanDerWaalsContact OD1-N 3.17Å; D543-M547 VanDerWaalsContact O-CG 3.24Å; D543-M547 WeakPolarHBondContact O-CG 3.39Å; D543-M547 PolarHBondContact O-N 3.19Å | ||
| 544 | E | 83 | Confident | 84.6 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | -176.4 | -59.7 | -72.2 | 170.9 | 0 | 0 | 112.4 | K507 R510 M542 M547 H548 | K507-E544 VanDerWaalsContact CE-OE1 3.28Å; K507-E544 WeakPolarHBondContact CE-OE1 3.4Å; K507-E544 IonicContact NZ-OE1 3.75Å; R510-E544 IonicContact CZ-OE1 2.68Å; R510-E544 VanDerWaalsContact CZ-OE1 3.28Å; R510-E544 IonicContact CZ-OE2 3.46Å; R510-E544 IonicContact NH1-OE1 3.7Å; R510-E544 PolarHBondContact NH1-OE1 2.95Å; R510-E544 VanDerWaalsContact NH2-CD 3.29Å; R510-E544 IonicContact NH2-OE1 3.32Å; R510-E544 PolarHBondContact NH2-OE1 3.39Å; R510-E544 IonicContact NH2-OE2 3.77Å; R510-E544 PolarHBondContact NH2-OE2 3.21Å; M542-E544 PolarHBondContact O-N 3.18Å; E544-M547 HydrophobicContact CB-CE 4.33Å; E544-M547 VanDerWaalsContact CD-CE 3.5Å; E544-M547 HydrophobicContact CG-CE 4.16Å; E544-M547 PolarHBondContact O-N 3.38Å; E544-M547 WeakPolarHBondContact OE2-CE 3.33Å; E544-H548 WeakPolarHBondContact O-CB 3.49Å; E544-H548 PolarHBondContact O-CD2 2.87Å; E544-H548 PolarHBondContact O-N 3.17Å |
| 545 | D | 82.6 | Confident | 83.4 | Confident | 135 Ų | 135 | 68.9 Ų | 68.9 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.9 | -43.3 | -177.6 | -70.6 | -26.8 | 0 | 0 | 0 | 110.8 | D543 K549 | D543-D545 VanDerWaalsContact C-N 3.31Å; D543-D545 PolarHBondContact O-N 3.11Å; D543-D545 PolarHBondContact OD1-N 2.93Å; D545-K549 VanDerWaalsContact O-CB 3.24Å; D545-K549 WeakPolarHBondContact O-CB 3.4Å; D545-K549 PolarHBondContact O-N 3.09Å |
| 546 | L | 85.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.1 | -174.8 | 65.9 | 0 | 0 | 0 | 111.5 | L538 D543 K549 Q550 | L538-L546 HydrophobicContact CD2-CD2 3.92Å; L538-L546 HydrophobicContact CD2-CG 4.09Å; D543-L546 HydrophobicContact CB-CB 3.95Å; D543-L546 PolarHBondContact O-N 3.25Å; D543-L546 PolarHBondContact OD1-N 3.36Å; D543-L546 VanDerWaalsContact OD1-N 3.17Å; L546-K549 PolarHBondContact O-N 3.47Å; L546-Q550 HydrophobicContact CD1-CG 3.94Å; L546-Q550 HydrophobicContact CG-CG 4.41Å; L546-Q550 WeakPolarHBondContact O-CB 3.28Å; L546-Q550 WeakPolarHBondContact O-CG 3.44Å; L546-Q550 PolarHBondContact O-N 3.04Å |
| 547 | M | 85.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 177.9 | -70.5 | -175.5 | -64 | 0 | 0 | 111.3 | T504 L539 D543 E544 K549 Q550 I551 | T504-M547 HydrophobicContact CG2-CB 3.64Å; L539-M547 HydrophobicContact CD2-SD 3.69Å; D543-M547 VanDerWaalsContact O-CG 3.24Å; D543-M547 WeakPolarHBondContact O-CG 3.39Å; D543-M547 PolarHBondContact O-N 3.19Å; E544-M547 HydrophobicContact CB-CE 4.33Å; E544-M547 VanDerWaalsContact CD-CE 3.5Å; E544-M547 HydrophobicContact CG-CE 4.16Å; E544-M547 PolarHBondContact O-N 3.38Å; E544-M547 WeakPolarHBondContact OE2-CE 3.33Å; M547-K549 VanDerWaalsContact C-N 3.34Å; M547-K549 PolarHBondContact O-N 3.27Å; M547-Q550 PolarHBondContact O-N 3.11Å; M547-I551 HydrophobicContact CB-CD1 4.49Å; M547-I551 VanDerWaalsContact O-CB 3.27Å; M547-I551 WeakPolarHBondContact O-CB 3.29Å; M547-I551 PolarHBondContact O-N 3.05Å |
| 548 | H | 83.8 | Confident | 79.8 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -62.4 | -41.5 | 178.2 | -85.4 | -71.4 | 0 | 0 | 0 | 112 | E544 V552 N553 | E544-H548 WeakPolarHBondContact O-CB 3.49Å; E544-H548 PolarHBondContact O-CD2 2.87Å; E544-H548 PolarHBondContact O-N 3.17Å; H548-V552 WeakPolarHBondContact O-CB 3.44Å; H548-V552 PolarHBondContact O-N 3.46Å; H548-N553 PolarHBondContact O-N 3.47Å |
| 549 | K | 83.6 | Confident | 79.1 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | I | π-helix | trans | -66.1 | -38.3 | 180 | -172.7 | 176.8 | -179.5 | -179.7 | 0 | 113.5 | D545 L546 M547 | D545-K549 VanDerWaalsContact O-CB 3.24Å; D545-K549 WeakPolarHBondContact O-CB 3.4Å; D545-K549 PolarHBondContact O-N 3.09Å; L546-K549 PolarHBondContact O-N 3.47Å; M547-K549 VanDerWaalsContact C-N 3.34Å; M547-K549 PolarHBondContact O-N 3.27Å |
| 550 | Q | 82.5 | Confident | 78.6 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -94.4 | -28.6 | -173.3 | -64.1 | -66 | -14.3 | 0 | 0 | 113.8 | L538 L546 M547 | L538-Q550 HydrophobicContact CD1-CB 4.08Å; L546-Q550 HydrophobicContact CD1-CG 3.94Å; L546-Q550 HydrophobicContact CG-CG 4.41Å; L546-Q550 WeakPolarHBondContact O-CB 3.28Å; L546-Q550 WeakPolarHBondContact O-CG 3.44Å; L546-Q550 PolarHBondContact O-N 3.04Å; M547-Q550 PolarHBondContact O-N 3.11Å |
| 551 | I | 83.2 | Confident | 78.1 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.051 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -105.3 | -40.8 | -173 | -56.1 | 176.2 | 0 | 0 | 0 | 111.8 | A500 K501 T504 Y535 L538 L539 M547 | A500-I551 HydrophobicContact CB-CG2 3.87Å; K501-I551 WeakPolarHBondContact CE-O 3.31Å; K501-I551 HydrophobicContact CG-CG2 3.89Å; T504-I551 WeakPolarHBondContact OG1-CD1 3.35Å; Y535-I551 HydrophobicContact CD1-CD1 4.03Å; Y535-I551 HydrophobicContact CD1-CG1 3.84Å; Y535-I551 HydrophobicContact CE1-CG1 4.08Å; Y535-I551 HydrophobicContact CE1-CG2 4.5Å; L538-I551 HydrophobicContact CB-CD1 4.12Å; L538-I551 HydrophobicContact CD1-CD1 4.16Å; L538-I551 HydrophobicContact CD1-CG1 4.06Å; L539-I551 HydrophobicContact CD2-CD1 4.48Å; M547-I551 HydrophobicContact CB-CD1 4.49Å; M547-I551 VanDerWaalsContact O-CB 3.27Å; M547-I551 WeakPolarHBondContact O-CB 3.29Å; M547-I551 PolarHBondContact O-N 3.05Å |
| 552 | V | 77.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -95.9 | -47 | -171.7 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | T504 H548 G554 | T504-V552 HydrophobicContact CG2-CG2 3.8Å; H548-V552 WeakPolarHBondContact O-CB 3.44Å; H548-V552 PolarHBondContact O-N 3.46Å; V552-G554 PolarHBondContact O-N 3.22Å; V552-G554 VanDerWaalsContact O-N 3.1Å |
| 553 | N | 71.2 | Confident | 78.3 | Confident | 106 Ų | 106 | 70.3 Ų | 70.3 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | trans | -77.9 | 97 | -178 | -65.2 | -13.2 | 0 | 0 | 0 | 110.1 | H548 | H548-N553 PolarHBondContact O-N 3.47Š| ||
| 554 | G | 66.8 | Low | 78.1 | Confident | 51 Ų | 51 | 72 Ų | 72 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | trans | -69.3 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V552 N556 | V552-G554 PolarHBondContact O-N 3.22Å; V552-G554 VanDerWaalsContact O-N 3.1Å; G554-N556 PolarHBondContact O-N 2.95Å | ||
| 555 | L | 68.8 | Low | 78.1 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 69% | 0.686 | 38% | 0.381 | S | S | * | . | trans | -55.5 | 114.9 | 169.2 | -113.9 | 85.1 | 0 | 0 | 0 | 108.9 | V557 L580 | L555-V557 HydrophobicContact CB-CG2 4.45Å; L555-V557 HydrophobicContact CD2-CG2 4.06Å; L555-V557 HydrophobicContact CG-CG2 4.33Å; L555-V557 PolarHBondContact O-N 3.44Å; L555-L580 HydrophobicContact CD2-CD1 4.18Å; L555-L580 HydrophobicContact CD2-CD2 3.49Å; L555-L580 VanDerWaalsContact CD2-CD2 3.49Å; L555-L580 HydrophobicContact CD2-CG 4.39Å; L555-L580 HydrophobicContact CG-CD2 4.07Å | ||
| 556 | N | 65.3 | Low | 78.2 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | trans | -85.3 | 49.5 | -177.1 | -135.4 | 13.2 | 0 | 0 | 0 | 110.8 | G554 R585 H588 | G554-N556 PolarHBondContact O-N 2.95Å; N556-R585 WeakPolarHBondContact O-CA 3.23Å; N556-R585 WeakPolarHBondContact O-CB 3.42Å; N556-H588 PolarHBondContact ND2-NE2 2.74Å | ||
| 557 | V | 66.4 | Low | 78.2 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 134.8 | -173.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | L555 I559 L562 L580 V583 | L555-V557 HydrophobicContact CB-CG2 4.45Å; L555-V557 HydrophobicContact CD2-CG2 4.06Å; L555-V557 HydrophobicContact CG-CG2 4.33Å; L555-V557 PolarHBondContact O-N 3.44Å; V557-I559 PolarHBondContact O-N 2.97Å; V557-L562 HydrophobicContact CG1-CB 4.04Å; V557-L580 HydrophobicContact CG2-CD1 4.29Å; V557-L580 HydrophobicContact CG2-CD2 4.37Å; V557-L580 HydrophobicContact CG2-CG 4.2Å; V557-V583 HydrophobicContact CG1-CB 3.65Å; V557-V583 HydrophobicContact CG1-CG1 3.28Å; V557-V583 HydrophobicContact CG1-CG2 4.4Å |
| 558 | C | 71 | Confident | 78.1 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | trans | -71.6 | 123.7 | 171.7 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | D560 A561 L562 P584 | C558-D560 VanDerWaalsContact C-N 3.33Å; C558-D560 PolarHBondContact O-N 3Å; C558-A561 HydrophobicContact CB-CB 3.79Å; C558-A561 PolarHBondContact O-N 2.96Å; C558-L562 WeakPolarHBondContact O-CB 3.41Å; C558-L562 PolarHBondContact O-N 3.03Å; C558-P584 PolarHBondContact N-O 3.2Å | ||
| 559 | I | 76.2 | Confident | 78 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 59% | 0.59 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | -177.2 | -61.9 | 172.9 | 0 | 0 | 0 | 110.5 | V557 A561 L562 V563 | V557-I559 PolarHBondContact O-N 2.97Å; I559-A561 VanDerWaalsContact C-N 3.35Å; I559-A561 PolarHBondContact O-N 3.19Å; I559-L562 WeakPolarHBondContact O-CB 3.44Å; I559-L562 PolarHBondContact O-N 3.07Å; I559-L562 VanDerWaalsContact O-N 3.15Å; I559-V563 HydrophobicContact CG2-CG2 4.44Å; I559-V563 WeakPolarHBondContact O-CG2 3.35Å; I559-V563 PolarHBondContact O-N 2.92Å |
| 560 | D | 78.4 | Confident | 78.1 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 68% | 0.684 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 179.2 | -54.8 | -41.4 | 0 | 0 | 0 | 111.2 | C558 L562 V563 Q564 | C558-D560 VanDerWaalsContact C-N 3.33Å; C558-D560 PolarHBondContact O-N 3Å; D560-L562 VanDerWaalsContact C-N 3.3Å; D560-L562 PolarHBondContact O-N 2.96Å; D560-V563 PolarHBondContact O-N 3.11Å; D560-Q564 PolarHBondContact O-N 3.29Å |
| 561 | A | 78.7 | Confident | 78.1 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C558 I559 S565 V583 P584 | C558-A561 HydrophobicContact CB-CB 3.79Å; C558-A561 PolarHBondContact O-N 2.96Å; I559-A561 VanDerWaalsContact C-N 3.35Å; I559-A561 PolarHBondContact O-N 3.19Å; A561-S565 VanDerWaalsContact O-CB 3.27Å; A561-S565 WeakPolarHBondContact O-CB 3.49Å; A561-S565 PolarHBondContact O-N 3.18Å; A561-S565 PolarHBondContact O-OG 2.95Å; A561-V583 HydrophobicContact CB-CG1 3.91Å; A561-P584 HydrophobicContact CB-CB 4.28Å; A561-P584 HydrophobicContact CB-CG 4.14Å |
| 562 | L | 83 | Confident | 77.6 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 19% | 0.194 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 173.9 | 175.4 | 63.4 | 0 | 0 | 0 | 110.9 | V557 C558 I559 D560 S565 L566 F578 L580 V583 | V557-L562 HydrophobicContact CG1-CB 4.04Å; C558-L562 WeakPolarHBondContact O-CB 3.41Å; C558-L562 PolarHBondContact O-N 3.03Å; I559-L562 WeakPolarHBondContact O-CB 3.44Å; I559-L562 PolarHBondContact O-N 3.07Å; I559-L562 VanDerWaalsContact O-N 3.15Å; D560-L562 VanDerWaalsContact C-N 3.3Å; D560-L562 PolarHBondContact O-N 2.96Å; L562-S565 PolarHBondContact O-N 3.04Å; L562-L566 HydrophobicContact CD1-CD1 3.91Å; L562-L566 HydrophobicContact CD1-CG 4.09Å; L562-L566 HydrophobicContact CG-CD1 3.9Å; L562-L566 HydrophobicContact CG-CG 4.47Å; L562-L566 VanDerWaalsContact O-CB 3.32Å; L562-L566 WeakPolarHBondContact O-CB 3.4Å; L562-L566 WeakPolarHBondContact O-CG 3.35Å; L562-L566 PolarHBondContact O-N 3.02Å; L562-F578 HydrophobicContact CD1-CE1 3.7Å; L562-F578 HydrophobicContact CD1-CZ 3.9Å; L562-L580 HydrophobicContact CD1-CD1 3.79Å; L562-V583 HydrophobicContact CB-CG1 4.01Å; L562-V583 HydrophobicContact CD1-CG2 3.8Å |
| 563 | V | 84.4 | Confident | 77.2 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 41% | 0.406 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | I559 D560 S565 L566 E567 | I559-V563 HydrophobicContact CG2-CG2 4.44Å; I559-V563 WeakPolarHBondContact O-CG2 3.35Å; I559-V563 PolarHBondContact O-N 2.92Å; D560-V563 PolarHBondContact O-N 3.11Å; V563-S565 PolarHBondContact O-N 3.37Å; V563-L566 PolarHBondContact O-N 2.87Å; V563-L566 VanDerWaalsContact O-N 3.15Å; V563-E567 HydrophobicContact CG1-CG 4.43Å; V563-E567 WeakPolarHBondContact O-CG 3.37Å; V563-E567 PolarHBondContact O-N 2.74Å |
| 564 | Q | 82.6 | Confident | 77 | Confident | 110 Ų | 110 | 82.7 Ų | 82.7 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.4 | -174.4 | -177.6 | -9.7 | 0 | 0 | 112 | D560 L566 E567 E568 | D560-Q564 PolarHBondContact O-N 3.29Å; Q564-L566 VanDerWaalsContact C-N 3.25Å; Q564-L566 PolarHBondContact O-N 3.35Å; Q564-E567 PolarHBondContact O-N 3.3Å; Q564-E568 WeakPolarHBondContact CG-OE1 3.16Å; Q564-E568 PolarHBondContact NE2-OE1 3.49Å; Q564-E568 WeakPolarHBondContact O-CB 3.41Å; Q564-E568 WeakPolarHBondContact O-CG 3.39Å; Q564-E568 PolarHBondContact O-N 3.33Å |
| 565 | S | 83.2 | Confident | 77.4 | Confident | 17 Ų | 17 | 86.8 Ų | 86.8 | 12% | 0.119 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.9 | -32.8 | 178.5 | -58 | 0 | 0 | 0 | 0 | 112.3 | A561 L562 V563 Y569 F578 | A561-S565 VanDerWaalsContact O-CB 3.27Å; A561-S565 WeakPolarHBondContact O-CB 3.49Å; A561-S565 PolarHBondContact O-N 3.18Å; A561-S565 PolarHBondContact O-OG 2.95Å; L562-S565 PolarHBondContact O-N 3.04Å; V563-S565 PolarHBondContact O-N 3.37Å; S565-Y569 VanDerWaalsContact O-CB 3.23Å; S565-Y569 WeakPolarHBondContact O-CB 3.16Å; S565-Y569 PolarHBondContact O-N 2.89Å; S565-F578 WeakPolarHBondContact O-CE2 3.48Å |
| 566 | L | 84.5 | Confident | 77.8 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 35% | 0.346 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -74.6 | -39.1 | 176.2 | -75.4 | 169.9 | 0 | 0 | 0 | 111.7 | L562 V563 Q564 Y569 L570 F578 | L562-L566 HydrophobicContact CD1-CD1 3.91Å; L562-L566 HydrophobicContact CD1-CG 4.09Å; L562-L566 HydrophobicContact CG-CD1 3.9Å; L562-L566 HydrophobicContact CG-CG 4.47Å; L562-L566 VanDerWaalsContact O-CB 3.32Å; L562-L566 WeakPolarHBondContact O-CB 3.4Å; L562-L566 WeakPolarHBondContact O-CG 3.35Å; L562-L566 PolarHBondContact O-N 3.02Å; V563-L566 PolarHBondContact O-N 2.87Å; V563-L566 VanDerWaalsContact O-N 3.15Å; Q564-L566 VanDerWaalsContact C-N 3.25Å; Q564-L566 PolarHBondContact O-N 3.35Å; L566-Y569 PolarHBondContact O-N 3.43Å; L566-L570 WeakPolarHBondContact O-CB 3.39Å; L566-L570 VanDerWaalsContact O-CG 3.26Å; L566-L570 WeakPolarHBondContact O-CG 3.47Å; L566-L570 PolarHBondContact O-N 3Å; L566-F578 HydrophobicContact CD2-CD1 3.72Å; L566-F578 HydrophobicContact CD2-CD2 3.94Å; L566-F578 HydrophobicContact CD2-CE1 3.72Å; L566-F578 HydrophobicContact CD2-CE2 3.94Å; L566-F578 HydrophobicContact CD2-CG 3.82Å; L566-F578 HydrophobicContact CD2-CZ 3.82Å; L566-F578 HydrophobicContact CG-CE1 4.19Å; L566-F578 HydrophobicContact CG-CE2 4.29Å; L566-F578 HydrophobicContact CG-CZ 3.97Å |
| 567 | E | 85.4 | Confident | 78.7 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 173 | -73.4 | 176.6 | 169.3 | 0 | 0 | 110.4 | V563 Q564 Y569 L570 L571 | V563-E567 HydrophobicContact CG1-CG 4.43Å; V563-E567 WeakPolarHBondContact O-CG 3.37Å; V563-E567 PolarHBondContact O-N 2.74Å; Q564-E567 PolarHBondContact O-N 3.3Å; E567-Y569 VanDerWaalsContact C-N 3.29Å; E567-Y569 PolarHBondContact O-N 3.43Å; E567-L570 PolarHBondContact O-N 3.38Å; E567-L570 VanDerWaalsContact O-N 3.1Å; E567-L571 VanDerWaalsContact O-CG 3.29Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 3.36Å |
| 568 | E | 82.5 | Confident | 79.5 | Confident | 95 Ų | 95 | 85.9 Ų | 85.9 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 172.5 | -72 | 170.2 | -168 | 0 | 0 | 112.3 | Q564 | Q564-E568 WeakPolarHBondContact CG-OE1 3.16Å; Q564-E568 PolarHBondContact NE2-OE1 3.49Å; Q564-E568 WeakPolarHBondContact O-CB 3.41Å; Q564-E568 WeakPolarHBondContact O-CG 3.39Å; Q564-E568 PolarHBondContact O-N 3.33Å |
| 569 | Y | 83.7 | Confident | 80 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -69.6 | -31.7 | 175.5 | 178.6 | -89.5 | 0 | 0 | 0 | 113 | S565 L566 E567 K574 A576 A577 F578 | S565-Y569 VanDerWaalsContact O-CB 3.23Å; S565-Y569 WeakPolarHBondContact O-CB 3.16Å; S565-Y569 PolarHBondContact O-N 2.89Å; L566-Y569 PolarHBondContact O-N 3.43Å; E567-Y569 VanDerWaalsContact C-N 3.29Å; E567-Y569 PolarHBondContact O-N 3.43Å; Y569-K574 HydrophobicContact CD2-CD 3.67Å; Y569-K574 HydrophobicContact CE2-CB 4.05Å; Y569-K574 HydrophobicContact CE2-CD 3.91Å; Y569-A576 VanDerWaalsContact CE2-O 3.31Å; Y569-A576 WeakPolarHBondContact CE2-O 3.41Å; Y569-A576 PolarHBondContact OH-O 3.19Å; Y569-A577 WeakPolarHBondContact OH-CA 3.36Å; Y569-F578 HydrophobicContact CD1-CB 4.17Å; Y569-F578 HydrophobicContact CD1-CD2 4.34Å; Y569-F578 HydrophobicContact CD2-CB 3.96Å; Y569-F578 AromaticContact CD2-CD2 3.75Å; Y569-F578 HydrophobicContact CD2-CD2 3.75Å; Y569-F578 HydrophobicContact CD2-CG 4.37Å; Y569-F578 HydrophobicContact CE1-CB 4.11Å; Y569-F578 HydrophobicContact CE2-CB 3.88Å; Y569-F578 HydrophobicContact CE2-CD2 4.5Å; Y569-F578 HydrophobicContact CG-CB 4.11Å; Y569-F578 AromaticContact CG-CD2 3.66Å; Y569-F578 HydrophobicContact CG-CD2 3.66Å; Y569-F578 HydrophobicContact CG-CG 4.34Å; Y569-F578 PolarHBondContact OH-N 3.34Å |
| 570 | L | 84.8 | Confident | 80.1 | Confident | 139 Ų | 139 | 86.6 Ų | 86.6 | 73% | 0.728 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -81.4 | -25.5 | 179.5 | -73.4 | 171.2 | 0 | 0 | 0 | 113.4 | L566 E567 E572 | L566-L570 WeakPolarHBondContact O-CB 3.39Å; L566-L570 VanDerWaalsContact O-CG 3.26Å; L566-L570 WeakPolarHBondContact O-CG 3.47Å; L566-L570 PolarHBondContact O-N 3Å; E567-L570 PolarHBondContact O-N 3.38Å; E567-L570 VanDerWaalsContact O-N 3.1Å; L570-E572 VanDerWaalsContact C-N 3.3Å |
| 571 | L | 81.9 | Confident | 80.1 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.2 | -22.2 | 177.9 | -72.7 | 166.8 | 0 | 0 | 0 | 112.9 | E567 | E567-L571 VanDerWaalsContact O-CG 3.29Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 3.36Å |
| 572 | E | 74.1 | Confident | 79.8 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -110.9 | 132 | 179.5 | -70.4 | -179.6 | 165.7 | 0 | 0 | 112 | L570 K574 | L570-E572 VanDerWaalsContact C-N 3.3Å; E572-K574 HydrophobicContact CB-CD 4.41Å; E572-K574 HydrophobicContact CB-CG 4.17Å; E572-K574 PolarHBondContact O-N 2.77Å; E572-K574 WeakPolarHBondContact OE2-CE 3.41Å; E572-K574 IonicContact OE2-NZ 3.96Å; E572-K574 PolarHBondContact OE2-NZ 2.83Å |
| 573 | P | 68.6 | Low | 79.4 | Confident | 140 Ų | 140 | 90.8 Ų | 90.8 | 91% | 0.909 | 50% | 0.5 | S | S | * | . | trans | -68.9 | 93 | 171.3 | 26.8 | -31.2 | 0 | 0 | 0 | 110.4 | ||||
| 574 | K | 67.1 | Low | 78.5 | Confident | 97 Ų | 97 | 91.3 Ų | 91.3 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | trans | -97.4 | 136.4 | 179.5 | -71.4 | 175.4 | 174.2 | 154.6 | 0 | 112 | Y569 E572 | Y569-K574 HydrophobicContact CD2-CD 3.67Å; Y569-K574 HydrophobicContact CE2-CB 4.05Å; Y569-K574 HydrophobicContact CE2-CD 3.91Å; E572-K574 HydrophobicContact CB-CD 4.41Å; E572-K574 HydrophobicContact CB-CG 4.17Å; E572-K574 PolarHBondContact O-N 2.77Å; E572-K574 WeakPolarHBondContact OE2-CE 3.41Å; E572-K574 IonicContact OE2-NZ 3.96Å; E572-K574 PolarHBondContact OE2-NZ 2.83Å | ||
| 575 | S | 74.8 | Confident | 77.6 | Confident | 137 Ų | 137 | 95.5 Ų | 95.5 | 96% | 0.958 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -81.6 | -16.1 | 174.8 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 576 | A | 78.2 | Confident | 76.1 | Confident | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -105.1 | 140.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y569 | Y569-A576 VanDerWaalsContact CE2-O 3.31Å; Y569-A576 WeakPolarHBondContact CE2-O 3.41Å; Y569-A576 PolarHBondContact OH-O 3.19Å |
| 577 | A | 83.3 | Confident | 74.2 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | trans | -63.7 | 148.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y569 D579 | Y569-A577 WeakPolarHBondContact OH-CA 3.36Å; A577-D579 PolarHBondContact O-N 3.28Å | ||
| 578 | F | 83.6 | Confident | 72 | Confident | 54 Ų | 54 | 105.7 Ų | 105.7 | 24% | 0.237 | 56% | 0.563 | C | S | . | * | trans | -56.8 | 124.1 | 176.8 | -177.9 | -100.6 | 0 | 0 | 0 | 111.9 | L562 S565 L566 Y569 L580 V583 | L562-F578 HydrophobicContact CD1-CE1 3.7Å; L562-F578 HydrophobicContact CD1-CZ 3.9Å; S565-F578 WeakPolarHBondContact O-CE2 3.48Å; L566-F578 HydrophobicContact CD2-CD1 3.72Å; L566-F578 HydrophobicContact CD2-CD2 3.94Å; L566-F578 HydrophobicContact CD2-CE1 3.72Å; L566-F578 HydrophobicContact CD2-CE2 3.94Å; L566-F578 HydrophobicContact CD2-CG 3.82Å; L566-F578 HydrophobicContact CD2-CZ 3.82Å; L566-F578 HydrophobicContact CG-CE1 4.19Å; L566-F578 HydrophobicContact CG-CE2 4.29Å; L566-F578 HydrophobicContact CG-CZ 3.97Å; Y569-F578 HydrophobicContact CD1-CB 4.17Å; Y569-F578 HydrophobicContact CD1-CD2 4.34Å; Y569-F578 HydrophobicContact CD2-CB 3.96Å; Y569-F578 AromaticContact CD2-CD2 3.75Å; Y569-F578 HydrophobicContact CD2-CD2 3.75Å; Y569-F578 HydrophobicContact CD2-CG 4.37Å; Y569-F578 HydrophobicContact CE1-CB 4.11Å; Y569-F578 HydrophobicContact CE2-CB 3.88Å; Y569-F578 HydrophobicContact CE2-CD2 4.5Å; Y569-F578 HydrophobicContact CG-CB 4.11Å; Y569-F578 AromaticContact CG-CD2 3.66Å; Y569-F578 HydrophobicContact CG-CD2 3.66Å; Y569-F578 HydrophobicContact CG-CG 4.34Å; Y569-F578 PolarHBondContact OH-N 3.34Å; F578-L580 HydrophobicContact CE1-CD1 4.47Å; F578-V583 HydrophobicContact CE1-CG2 4.06Å; F578-V583 HydrophobicContact CZ-CG2 3.55Å | ||
| 579 | D | 80.7 | Confident | 69.6 | Low | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | trans | -96.6 | 113.5 | 175.4 | -173.6 | -0.8 | 0 | 0 | 0 | 110.3 | A577 K581 S582 | A577-D579 PolarHBondContact O-N 3.28Å; D579-K581 PolarHBondContact O-N 3.11Å; D579-K581 WeakPolarHBondContact OD1-CB 3.47Å; D579-K581 WeakPolarHBondContact OD1-CG 3.46Å; D579-K581 PolarHBondContact OD1-N 3.16Å; D579-S582 PolarHBondContact O-N 3.02Å; D579-S582 PolarHBondContact O-OG 3.45Å | ||
| 580 | L | 79.6 | Confident | 67 | Low | 70 Ų | 70 | 110.6 Ų | 110.6 | 37% | 0.366 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -56.2 | -21.5 | 177.3 | -170.3 | 73 | 0 | 0 | 0 | 113.2 | L555 V557 L562 F578 S582 V583 | L555-L580 HydrophobicContact CD2-CD1 4.18Å; L555-L580 HydrophobicContact CD2-CD2 3.49Å; L555-L580 VanDerWaalsContact CD2-CD2 3.49Å; L555-L580 HydrophobicContact CD2-CG 4.39Å; L555-L580 HydrophobicContact CG-CD2 4.07Å; V557-L580 HydrophobicContact CG2-CD1 4.29Å; V557-L580 HydrophobicContact CG2-CD2 4.37Å; V557-L580 HydrophobicContact CG2-CG 4.2Å; L562-L580 HydrophobicContact CD1-CD1 3.79Å; F578-L580 HydrophobicContact CE1-CD1 4.47Å; L580-S582 PolarHBondContact O-N 3.12Å; L580-V583 PolarHBondContact O-N 3.39Å |
| 581 | K | 76.5 | Confident | 64.3 | Low | 183 Ų | 183 | 107.1 Ų | 107.1 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -69.6 | -17.4 | 176.8 | -63.9 | 175.3 | -175.2 | 169.6 | 0 | 113.9 | D579 V583 | D579-K581 PolarHBondContact O-N 3.11Å; D579-K581 WeakPolarHBondContact OD1-CB 3.47Å; D579-K581 WeakPolarHBondContact OD1-CG 3.46Å; D579-K581 PolarHBondContact OD1-N 3.16Å; K581-V583 PolarHBondContact O-N 2.99Å |
| 582 | S | 72.6 | Confident | 61.8 | Low | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -74.6 | -15.5 | 176.2 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | D579 L580 | D579-S582 PolarHBondContact O-N 3.02Å; D579-S582 PolarHBondContact O-OG 3.45Å; L580-S582 PolarHBondContact O-N 3.12Å |
| 583 | V | 74.4 | Confident | 59.7 | Low | 8 Ų | 8 | 109.5 Ų | 109.5 | 5% | 0.048 | 62% | 0.623 | C | S | . | * | S | Bend | trans | -81.8 | 130.1 | -176 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | V557 A561 L562 F578 L580 K581 R585 | V557-V583 HydrophobicContact CG1-CB 3.65Å; V557-V583 HydrophobicContact CG1-CG1 3.28Å; V557-V583 HydrophobicContact CG1-CG2 4.4Å; A561-V583 HydrophobicContact CB-CG1 3.91Å; L562-V583 HydrophobicContact CB-CG1 4.01Å; L562-V583 HydrophobicContact CD1-CG2 3.8Å; F578-V583 HydrophobicContact CE1-CG2 4.06Å; F578-V583 HydrophobicContact CZ-CG2 3.55Å; L580-V583 PolarHBondContact O-N 3.39Å; K581-V583 PolarHBondContact O-N 2.99Å; V583-R585 PolarHBondContact O-N 2.99Å |
| 584 | P | 67.2 | Low | 57.8 | Low | 78 Ų | 78 | 111 Ų | 111 | 51% | 0.506 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 132.2 | 174.5 | -26.4 | 32 | 0 | 0 | 0 | 112.7 | C558 A561 | C558-P584 PolarHBondContact N-O 3.2Å; A561-P584 HydrophobicContact CB-CB 4.28Å; A561-P584 HydrophobicContact CB-CG 4.14Å |
| 585 | R | 61.9 | Low | 56.2 | Low | 198 Ų | 198 | 114.7 Ų | 114.7 | 75% | 0.747 | 63% | 0.633 | S | S | * | * | B | Isolated β-bridge | trans | -72 | 149 | 174.6 | -64.9 | -176.8 | -179.7 | 174.4 | 1.8 | 110 | N556 V583 | N556-R585 WeakPolarHBondContact O-CA 3.23Å; N556-R585 WeakPolarHBondContact O-CB 3.42Å; V583-R585 PolarHBondContact O-N 2.99Å |
| 586 | R | 52.3 | Low | 54.1 | Low | 159 Ų | 159 | 117.4 Ų | 117.4 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 129.3 | 174 | -130.5 | 177.7 | -166.6 | 172.1 | 2.2 | 109.5 | H588 | R586-H588 PolarHBondContact O-N 3.27Å; R586-H588 VanDerWaalsContact O-N 3.15Å |
| 587 | P | 45.9 | Very low | 51.7 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.9 | 172.6 | 22.9 | -29.6 | 0 | 0 | 0 | 108.8 | V589 | P587-V589 PolarHBondContact O-N 2.9Š|
| 588 | H | 38.8 | Very low | 49.1 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 65% | 0.653 | 64% | 0.644 | S | S | * | * | trans | -71.6 | 115 | 168.7 | -84.8 | -70.1 | 0 | 0 | 0 | 108.1 | N556 R586 T590 | N556-H588 PolarHBondContact ND2-NE2 2.74Å; R586-H588 PolarHBondContact O-N 3.27Å; R586-H588 VanDerWaalsContact O-N 3.15Å; H588-T590 PolarHBondContact O-N 3.06Å | ||
| 589 | V | 31 | Very low | 46.6 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 97.8 | 163.8 | -177.1 | 0 | 0 | 0 | 0 | 106.7 | P587 A591 | P587-V589 PolarHBondContact O-N 2.9Å; V589-A591 PolarHBondContact O-N 3.31Å | ||
| 590 | T | 28.8 | Very low | 44.2 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 69% | 0.685 | S | S | * | * | trans | -76.2 | 114.6 | 172.9 | 41.8 | 0 | 0 | 0 | 0 | 109.6 | H588 D592 | H588-T590 PolarHBondContact O-N 3.06Å; T590-D592 PolarHBondContact O-N 3.03Å | ||
| 591 | A | 29.5 | Very low | 42 | Very low | 66 Ų | 66 | 130 Ų | 130 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -74 | 49.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V589 | V589-A591 PolarHBondContact O-N 3.31Š| ||
| 592 | D | 29.1 | Very low | 39.8 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -123.4 | 67.8 | 177.8 | -83.3 | -33.2 | 0 | 0 | 0 | 111.9 | T590 | T590-D592 PolarHBondContact O-N 3.03Š| ||
| 593 | S | 29.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -156.2 | 69.2 | 156.6 | 39.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 594 | K | 28.4 | Very low | 35.7 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -86.3 | 110 | 164.7 | -79.1 | 179 | 176.8 | 168.4 | 0 | 109.5 | ||||
| 595 | E | 33.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -151.8 | 100.8 | 153.9 | -116.4 | 176.3 | -171.7 | 0 | 0 | 113.9 | ||||
| 596 | K | 32.7 | Very low | 32.5 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 48.9 | 99.7 | 140.5 | -66.3 | 176.1 | -179.5 | 167 | 0 | 119.3 | ||||
| 597 | A | 26.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -80 | 127.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 598 | G | 28.7 | Very low | 30.7 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -173.9 | 100.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 599 | L | 32.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 85.1 | 106.8 | 148.7 | -62.6 | 146.4 | 0 | 0 | 0 | 120.6 | ||||
| 600 | L | 29.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 60.9 | 100.4 | 130.5 | -57.6 | 167.6 | 0 | 0 | 0 | 119.2 | ||||
| 601 | N | 32.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | 175.3 | 128.1 | 121.3 | -88.7 | -16.4 | 0 | 0 | 0 | 112.7 | |||||
| 602 | E | 31.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 55.5 | 142.6 | 153.4 | -65.2 | -172 | 160.6 | 0 | 0 | 121.7 | A604 | E602-A604 PolarHBondContact O-N 3.04Š| ||
| 603 | P | 29.4 | Very low | 32.1 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -80.1 | 100.5 | -160.4 | 32.7 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 604 | A | 30.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -102 | 137.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E602 | E602-A604 PolarHBondContact O-N 3.04Š| ||
| 605 | A | 30.3 | Very low | 35.9 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -42.4 | 145 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K607 | A605-K607 PolarHBondContact O-N 3.36Å; A605-K607 VanDerWaalsContact O-N 3.1Å | ||
| 606 | P | 31.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -62.4 | 117.3 | -178.4 | 27 | -31.8 | 0 | 0 | 0 | 109.5 | V608 | P606-V608 PolarHBondContact O-N 3.04Š| ||
| 607 | K | 29 | Very low | 39.9 | Very low | 208 Ų | 208 | 116.8 Ų | 116.8 | 90% | 0.904 | 69% | 0.689 | S | S | * | * | trans | -68.8 | 110.7 | 165.5 | -77.9 | -179.5 | 175.6 | 179.3 | 0 | 107.5 | A605 E609 | A605-K607 PolarHBondContact O-N 3.36Å; A605-K607 VanDerWaalsContact O-N 3.1Å; K607-E609 PolarHBondContact O-N 3.36Å | ||
| 608 | V | 32.3 | Very low | 42.4 | Very low | 109 Ų | 109 | 114 Ų | 114 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | trans | -56 | 123.5 | 167.5 | 177 | 0 | 0 | 0 | 0 | 107.7 | P606 T610 T611 | P606-V608 PolarHBondContact O-N 3.04Å; V608-T610 PolarHBondContact O-N 2.96Å; V608-T611 HydrophobicContact CG1-CG2 4.35Å | ||
| 609 | E | 30.6 | Very low | 44.7 | Very low | 178 Ų | 178 | 111.8 Ų | 111.8 | 83% | 0.832 | 63% | 0.63 | S | S | * | * | trans | -45.3 | 136.9 | 163.6 | -69 | 174 | 157.7 | 0 | 0 | 108.6 | K607 T611 | K607-E609 PolarHBondContact O-N 3.36Å; E609-T611 PolarHBondContact O-N 3.18Å | ||
| 610 | T | 26.7 | Very low | 46.9 | Very low | 145 Ų | 145 | 108.2 Ų | 108.2 | 89% | 0.89 | 61% | 0.609 | S | S | * | * | trans | -53.3 | 76.3 | -168 | 42.6 | 0 | 0 | 0 | 0 | 114.1 | V608 K612 | V608-T610 PolarHBondContact O-N 2.96Å; T610-K612 PolarHBondContact O-N 3.08Å | ||
| 611 | T | 33.4 | Very low | 49.2 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 66% | 0.663 | 59% | 0.592 | S | S | * | * | trans | -58.6 | 115.5 | 149.9 | 40.6 | 0 | 0 | 0 | 0 | 105.3 | V608 E609 S613 | V608-T611 HydrophobicContact CG1-CG2 4.35Å; E609-T611 PolarHBondContact O-N 3.18Å; T611-S613 PolarHBondContact O-N 3.48Å; T611-S613 VanDerWaalsContact O-N 3.11Å | ||
| 612 | K | 40.9 | Very low | 51.4 | Low | 106 Ų | 106 | 98.2 Ų | 98.2 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | trans | -41.5 | 124.2 | 170.8 | -67.5 | -174.7 | -176.1 | -171.8 | 0 | 107 | T610 M616 V617 E620 | T610-K612 PolarHBondContact O-N 3.08Å; K612-M616 HydrophobicContact CB-CB 4.14Å; K612-V617 HydrophobicContact CB-CG2 3.85Å; K612-V617 HydrophobicContact CD-CG2 4.41Å; K612-E620 IonicContact NZ-OE1 3.16Å; K612-E620 PolarHBondContact NZ-OE1 3.01Å; K612-E620 IonicContact NZ-OE2 2.72Å; K612-E620 PolarHBondContact NZ-OE2 3.14Å | ||
| 613 | S | 55.1 | Low | 53.6 | Low | 53 Ų | 53 | 94 Ų | 94 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | trans | -54.8 | 146.8 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 107.9 | T611 D615 M616 V617 | T611-S613 PolarHBondContact O-N 3.48Å; T611-S613 VanDerWaalsContact O-N 3.11Å; S613-D615 PolarHBondContact O-N 2.9Å; S613-M616 WeakPolarHBondContact O-CA 3.33Å; S613-M616 WeakPolarHBondContact O-CB 3.35Å; S613-M616 PolarHBondContact O-N 3.26Å; S613-M616 WeakPolarHBondContact OG-CG 3.19Å; S613-V617 PolarHBondContact O-N 2.74Å | ||
| 614 | P | 67 | Low | 55.8 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.4 | -38.9 | 179 | 15.3 | -28.5 | 0 | 0 | 0 | 111.4 | M616 V617 Y618 | P614-M616 VanDerWaalsContact C-N 3.31Å; P614-M616 PolarHBondContact O-N 3.34Å; P614-V617 PolarHBondContact O-N 2.73Å; P614-V617 VanDerWaalsContact O-N 3.09Å; P614-Y618 VanDerWaalsContact C-CD2 3.45Å; P614-Y618 HydrophobicContact CB-CD2 4.36Å; P614-Y618 HydrophobicContact CB-CE2 3.84Å; P614-Y618 WeakPolarHBondContact O-CD2 3.4Å; P614-Y618 PolarHBondContact O-N 3.42Å |
| 615 | D | 69.9 | Low | 57.9 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 28% | 0.283 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.6 | -34.6 | 172.4 | -65.8 | -39.3 | 0 | 0 | 0 | 115.1 | S613 A619 S637 | S613-D615 PolarHBondContact O-N 2.9Å; D615-A619 WeakPolarHBondContact O-CB 3.49Å; D615-A619 PolarHBondContact O-N 2.97Å; D615-S637 WeakPolarHBondContact OD1-CB 3.27Å; D615-S637 PolarHBondContact OD1-N 3.1Å; D615-S637 PolarHBondContact OD1-OG 2.9Å |
| 616 | M | 72.2 | Confident | 59.9 | Low | 102 Ų | 102 | 97.9 Ų | 97.9 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.8 | -35.5 | 175.6 | -75.6 | -174.1 | 74.8 | 0 | 0 | 112 | K612 S613 P614 A619 E620 | K612-M616 HydrophobicContact CB-CB 4.14Å; S613-M616 WeakPolarHBondContact O-CA 3.33Å; S613-M616 WeakPolarHBondContact O-CB 3.35Å; S613-M616 PolarHBondContact O-N 3.26Å; S613-M616 WeakPolarHBondContact OG-CG 3.19Å; P614-M616 VanDerWaalsContact C-N 3.31Å; P614-M616 PolarHBondContact O-N 3.34Å; M616-A619 PolarHBondContact O-N 3.5Å; M616-E620 WeakPolarHBondContact O-CG 3.41Å; M616-E620 PolarHBondContact O-N 2.64Å |
| 617 | V | 77.7 | Confident | 61.8 | Low | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.345 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -46.8 | 176 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | K612 S613 P614 A619 E620 Q621 | K612-V617 HydrophobicContact CB-CG2 3.85Å; K612-V617 HydrophobicContact CD-CG2 4.41Å; S613-V617 PolarHBondContact O-N 2.74Å; P614-V617 PolarHBondContact O-N 2.73Å; P614-V617 VanDerWaalsContact O-N 3.09Å; V617-A619 VanDerWaalsContact C-N 3.3Å; V617-A619 PolarHBondContact O-N 3.32Å; V617-E620 PolarHBondContact O-N 3.25Å; V617-E620 VanDerWaalsContact O-N 3.15Å; V617-Q621 PolarHBondContact O-N 3.21Å |
| 618 | Y | 80.7 | Confident | 64 | Low | 53 Ų | 53 | 87.2 Ų | 87.2 | 21% | 0.208 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 174.6 | -60.9 | -49.9 | 0 | 0 | 0 | 112.2 | P614 E620 Q621 L622 L655 H657 | P614-Y618 VanDerWaalsContact C-CD2 3.45Å; P614-Y618 HydrophobicContact CB-CD2 4.36Å; P614-Y618 HydrophobicContact CB-CE2 3.84Å; P614-Y618 WeakPolarHBondContact O-CD2 3.4Å; P614-Y618 PolarHBondContact O-N 3.42Å; Y618-E620 VanDerWaalsContact C-N 3.32Å; Y618-E620 PolarHBondContact O-N 2.8Å; Y618-Q621 PolarHBondContact O-N 3.34Å; Y618-L622 WeakPolarHBondContact O-CB 3.42Å; Y618-L622 WeakPolarHBondContact O-CG 3.33Å; Y618-L622 PolarHBondContact O-N 3.09Å; Y618-L655 HydrophobicContact CD1-CD2 3.98Å; Y618-L655 HydrophobicContact CD2-CD2 4.08Å; Y618-L655 HydrophobicContact CE1-CD2 3.57Å; Y618-L655 HydrophobicContact CE2-CD2 3.68Å; Y618-L655 HydrophobicContact CG-CD2 4.25Å; Y618-L655 VanDerWaalsContact CZ-CD2 3.4Å; Y618-H657 AromaticContact CD1-CE1 3.95Å; Y618-H657 AromaticContact CD2-CE1 3.89Å; Y618-H657 AromaticContact CG-CE1 3.55Å |
| 619 | A | 75.6 | Confident | 65.9 | Low | 21 Ų | 21 | 84.1 Ų | 84.1 | 17% | 0.174 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D615 M616 V617 N623 I634 | D615-A619 WeakPolarHBondContact O-CB 3.49Å; D615-A619 PolarHBondContact O-N 2.97Å; M616-A619 PolarHBondContact O-N 3.5Å; V617-A619 VanDerWaalsContact C-N 3.3Å; V617-A619 PolarHBondContact O-N 3.32Å; A619-N623 VanDerWaalsContact O-CB 3.25Å; A619-N623 WeakPolarHBondContact O-CB 3.36Å; A619-N623 VanDerWaalsContact O-CG 3.25Å; A619-N623 PolarHBondContact O-N 3.44Å; A619-N623 PolarHBondContact O-ND2 3.01Å; A619-I634 VanDerWaalsContact CA-CD1 3.49Å; A619-I634 HydrophobicContact CB-CD1 3.73Å; A619-I634 HydrophobicContact CB-CG1 4.14Å |
| 620 | E | 79.2 | Confident | 68.2 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.1 | -48.8 | 173.5 | -74.8 | 171.7 | -178.6 | 0 | 0 | 110.3 | K612 M616 V617 Y618 L622 N623 E624 | K612-E620 IonicContact NZ-OE1 3.16Å; K612-E620 PolarHBondContact NZ-OE1 3.01Å; K612-E620 IonicContact NZ-OE2 2.72Å; K612-E620 PolarHBondContact NZ-OE2 3.14Å; M616-E620 WeakPolarHBondContact O-CG 3.41Å; M616-E620 PolarHBondContact O-N 2.64Å; V617-E620 PolarHBondContact O-N 3.25Å; V617-E620 VanDerWaalsContact O-N 3.15Å; Y618-E620 VanDerWaalsContact C-N 3.32Å; Y618-E620 PolarHBondContact O-N 2.8Å; E620-L622 PolarHBondContact O-N 3.16Å; E620-N623 PolarHBondContact O-N 3.24Å; E620-E624 PolarHBondContact O-N 2.9Å; E620-E624 VanDerWaalsContact O-N 3.16Å |
| 621 | Q | 77.7 | Confident | 70.5 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 178.6 | -69.4 | 175.1 | -34.7 | 0 | 0 | 112.8 | V617 Y618 N623 E624 | V617-Q621 PolarHBondContact O-N 3.21Å; Y618-Q621 PolarHBondContact O-N 3.34Å; Q621-N623 VanDerWaalsContact C-N 3.32Å; Q621-N623 PolarHBondContact O-N 3.06Å; Q621-E624 PolarHBondContact O-N 3.48Å |
| 622 | L | 78.2 | Confident | 72.6 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.3 | -26.4 | 178.8 | -68.2 | 177.6 | 0 | 0 | 0 | 112.9 | Y618 E620 F628 I634 H657 F659 V664 L713 | Y618-L622 WeakPolarHBondContact O-CB 3.42Å; Y618-L622 WeakPolarHBondContact O-CG 3.33Å; Y618-L622 PolarHBondContact O-N 3.09Å; E620-L622 PolarHBondContact O-N 3.16Å; L622-F628 WeakPolarHBondContact O-CB 3.37Å; L622-I634 HydrophobicContact CD1-CD1 3.91Å; L622-H657 HydrophobicContact CD1-CB 4.17Å; L622-F659 HydrophobicContact CD1-CE2 4.24Å; L622-F659 HydrophobicContact CD1-CZ 4.03Å; L622-V664 HydrophobicContact CD2-CG1 4.23Å; L622-L713 HydrophobicContact CD2-CD1 3.97Å; L622-L713 HydrophobicContact CD2-CD2 3.63Å; L622-L713 HydrophobicContact CD2-CG 4.47Å |
| 623 | N | 77.4 | Confident | 74.6 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78.3 | -20.1 | 176 | -83.9 | -43.7 | 0 | 0 | 0 | 113.3 | A619 E620 Q621 M625 | A619-N623 VanDerWaalsContact O-CB 3.25Å; A619-N623 WeakPolarHBondContact O-CB 3.36Å; A619-N623 VanDerWaalsContact O-CG 3.25Å; A619-N623 PolarHBondContact O-N 3.44Å; A619-N623 PolarHBondContact O-ND2 3.01Å; E620-N623 PolarHBondContact O-N 3.24Å; Q621-N623 VanDerWaalsContact C-N 3.32Å; Q621-N623 PolarHBondContact O-N 3.06Å; N623-M625 PolarHBondContact O-N 2.89Å |
| 624 | E | 76.8 | Confident | 76 | Confident | 163 Ų | 163 | 73.6 Ų | 73.6 | 76% | 0.762 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.3 | -21.7 | 173.5 | -73.1 | 177.6 | 176.1 | 0 | 0 | 112.1 | E620 Q621 | E620-E624 PolarHBondContact O-N 2.9Å; E620-E624 VanDerWaalsContact O-N 3.16Å; Q621-E624 PolarHBondContact O-N 3.48Å |
| 625 | M | 74.2 | Confident | 77 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -90.8 | 117 | 177.8 | -60.7 | -177.3 | 176.3 | 0 | 0 | 111 | N623 E627 F628 A629 I699 L713 | N623-M625 PolarHBondContact O-N 2.89Å; M625-E627 PolarHBondContact O-N 3.42Å; M625-E627 VanDerWaalsContact O-N 3.08Å; M625-F628 HydrophobicContact CB-CD2 3.87Å; M625-F628 PolarHBondContact O-N 3.35Å; M625-F628 HydrophobicContact SD-CD2 4.16Å; M625-F628 HydrophobicContact SD-CE2 4.39Å; M625-A629 PolarHBondContact O-N 3.34Å; M625-I699 HydrophobicContact SD-CD1 3.81Å; M625-L713 HydrophobicContact CE-CD1 3.49Å; M625-L713 VanDerWaalsContact CE-CD1 3.49Å; M625-L713 HydrophobicContact SD-CD1 3.21Å; M625-L713 WeakPolarHBondContact SD-CD1 3.41Å |
| 626 | E | 72.5 | Confident | 77.8 | Confident | 186 Ų | 186 | 70.9 Ų | 70.9 | 87% | 0.869 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.8 | -174.8 | -68.9 | -167.4 | 161.7 | 0 | 0 | 113.4 | F628 | E626-F628 VanDerWaalsContact C-N 3.33Å; E626-F628 PolarHBondContact O-N 2.97Å |
| 627 | E | 70.8 | Confident | 78.6 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -32.1 | -178.5 | -61.1 | 172.9 | 176.2 | 0 | 0 | 112.6 | M625 I699 | M625-E627 PolarHBondContact O-N 3.42Å; M625-E627 VanDerWaalsContact O-N 3.08Å; E627-I699 VanDerWaalsContact OE2-CD1 3.25Å; E627-I699 WeakPolarHBondContact OE2-CD1 3.4Å; E627-I699 WeakPolarHBondContact OE2-CG1 3.41Å |
| 628 | F | 75.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -19.2 | -175.9 | -62.9 | -85.9 | 0 | 0 | 0 | 113.1 | L622 M625 E626 S630 L631 V664 I699 L713 L715 | L622-F628 WeakPolarHBondContact O-CB 3.37Å; M625-F628 HydrophobicContact CB-CD2 3.87Å; M625-F628 PolarHBondContact O-N 3.35Å; M625-F628 HydrophobicContact SD-CD2 4.16Å; M625-F628 HydrophobicContact SD-CE2 4.39Å; E626-F628 VanDerWaalsContact C-N 3.33Å; E626-F628 PolarHBondContact O-N 2.97Å; F628-S630 PolarHBondContact O-N 3.2Å; F628-L631 HydrophobicContact CB-CD1 3.99Å; F628-L631 HydrophobicContact CD1-CD1 3.55Å; F628-L631 HydrophobicContact CG-CD1 4.22Å; F628-L631 WeakPolarHBondContact O-CB 3.49Å; F628-L631 VanDerWaalsContact O-CG 3.28Å; F628-L631 WeakPolarHBondContact O-CG 3.36Å; F628-L631 PolarHBondContact O-N 3.32Å; F628-V664 HydrophobicContact CD1-CG1 4.22Å; F628-V664 HydrophobicContact CD1-CG2 3.78Å; F628-V664 HydrophobicContact CE1-CG1 3.89Å; F628-V664 HydrophobicContact CE1-CG2 3.96Å; F628-I699 HydrophobicContact CD2-CD1 4.13Å; F628-I699 HydrophobicContact CE2-CD1 3.51Å; F628-I699 HydrophobicContact CE2-CG1 3.86Å; F628-L713 HydrophobicContact CE2-CB 3.99Å; F628-L713 HydrophobicContact CZ-CB 3.77Å; F628-L715 HydrophobicContact CE1-CB 3.93Å |
| 629 | A | 72.6 | Confident | 79.3 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -56.2 | -27.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M625 L631 | M625-A629 PolarHBondContact O-N 3.34Å; A629-L631 VanDerWaalsContact C-N 3.34Å; A629-L631 PolarHBondContact O-N 3.2Å |
| 630 | S | 77.2 | Confident | 79.9 | Confident | 103 Ų | 103 | 68.6 Ų | 68.6 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -79.9 | -7.4 | 179.8 | 69.8 | 0 | 0 | 0 | 0 | 114.9 | F628 G632 | F628-S630 PolarHBondContact O-N 3.2Å; S630-G632 VanDerWaalsContact C-N 3.31Å; S630-G632 PolarHBondContact O-N 3.27Å |
| 631 | L | 76.5 | Confident | 80.3 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -77.3 | -15.3 | -173 | -61.7 | 173.7 | 0 | 0 | 0 | 114.2 | F628 A629 F659 Y662 V664 L715 | F628-L631 HydrophobicContact CB-CD1 3.99Å; F628-L631 HydrophobicContact CD1-CD1 3.55Å; F628-L631 HydrophobicContact CG-CD1 4.22Å; F628-L631 WeakPolarHBondContact O-CB 3.49Å; F628-L631 VanDerWaalsContact O-CG 3.28Å; F628-L631 WeakPolarHBondContact O-CG 3.36Å; F628-L631 PolarHBondContact O-N 3.32Å; A629-L631 VanDerWaalsContact C-N 3.34Å; A629-L631 PolarHBondContact O-N 3.2Å; L631-F659 HydrophobicContact CB-CD1 3.78Å; L631-F659 HydrophobicContact CB-CE1 3.79Å; L631-F659 HydrophobicContact CB-CG 4.23Å; L631-F659 HydrophobicContact CB-CZ 4.26Å; L631-F659 HydrophobicContact CD1-CE2 4.38Å; L631-F659 HydrophobicContact CD1-CZ 4.39Å; L631-Y662 HydrophobicContact CD2-CD1 4.37Å; L631-Y662 HydrophobicContact CD2-CD2 3.45Å; L631-Y662 VanDerWaalsContact CD2-CD2 3.45Å; L631-Y662 HydrophobicContact CD2-CE2 3.81Å; L631-Y662 HydrophobicContact CD2-CG 3.77Å; L631-V664 HydrophobicContact CD1-CG2 3.78Å; L631-L715 HydrophobicContact CD1-CD1 3.58Å; L631-L715 HydrophobicContact CD1-CD2 4.24Å; L631-L715 HydrophobicContact CD2-CD1 3.91Å; L631-L715 HydrophobicContact CD2-CD2 3.7Å; L631-L715 HydrophobicContact CD2-CG 4.5Å; L631-L715 HydrophobicContact CG-CD1 4.43Å |
| 632 | G | 77.4 | Confident | 80.9 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | trans | 91.7 | -154.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | S630 F659 | S630-G632 VanDerWaalsContact C-N 3.31Å; S630-G632 PolarHBondContact O-N 3.27Å; G632-F659 VanDerWaalsContact O-CE1 3.32Å; G632-F659 WeakPolarHBondContact O-CE1 3.29Å | ||
| 633 | K | 82.6 | Confident | 81.5 | Confident | 185 Ų | 185 | 67.6 Ų | 67.6 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -84.8 | 135 | -176.3 | -169.3 | 179.8 | 177.8 | -178.5 | 0 | 110.7 | F635 | K633-F635 PolarHBondContact O-N 2.67Š|
| 634 | I | 85.1 | Confident | 82.1 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | trans | -57.4 | 128.7 | 170.2 | -61 | -179 | 0 | 0 | 0 | 109.3 | A619 L622 F659 | A619-I634 VanDerWaalsContact CA-CD1 3.49Å; A619-I634 HydrophobicContact CB-CD1 3.73Å; A619-I634 HydrophobicContact CB-CG1 4.14Å; L622-I634 HydrophobicContact CD1-CD1 3.91Å; I634-F659 HydrophobicContact CD1-CZ 4.35Å; I634-F659 HydrophobicContact CG1-CE1 3.74Å; I634-F659 HydrophobicContact CG1-CE2 4.15Å; I634-F659 HydrophobicContact CG1-CZ 3.51Å | ||
| 635 | F | 86.2 | Confident | 82.4 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -80 | -48.3 | 174.4 | 179.7 | -101 | 0 | 0 | 0 | 111.3 | K633 M658 Q756 L758 V826 R828 | K633-F635 PolarHBondContact O-N 2.67Å; F635-M658 WeakPolarHBondContact CA-O 3.49Å; F635-M658 HydrophobicContact CB-CB 4.46Å; F635-M658 VanDerWaalsContact CB-O 3.24Å; F635-M658 WeakPolarHBondContact CB-O 3.25Å; F635-M658 HydrophobicContact CD1-CB 4.45Å; F635-M658 PolarHBondContact N-O 2.92Å; F635-Q756 WeakPolarHBondContact CE1-O 3.46Å; F635-L758 HydrophobicContact CD1-CD1 4.39Å; F635-L758 HydrophobicContact CD1-CG 4.3Å; F635-L758 HydrophobicContact CD2-CD1 3.93Å; F635-L758 HydrophobicContact CE1-CB 4.27Å; F635-L758 HydrophobicContact CE1-CD1 3.98Å; F635-L758 HydrophobicContact CE1-CG 3.65Å; F635-L758 HydrophobicContact CE2-CD1 3.48Å; F635-L758 VanDerWaalsContact CE2-CD1 3.48Å; F635-L758 HydrophobicContact CE2-CG 4.04Å; F635-L758 HydrophobicContact CG-CD1 4.37Å; F635-L758 HydrophobicContact CZ-CB 3.83Å; F635-L758 HydrophobicContact CZ-CD1 3.5Å; F635-L758 VanDerWaalsContact CZ-CD1 3.5Å; F635-L758 HydrophobicContact CZ-CG 3.49Å; F635-L758 VanDerWaalsContact CZ-CG 3.49Å; F635-V826 HydrophobicContact CE2-CG1 4.38Å; F635-V826 WeakPolarHBondContact CZ-O 3.37Å; F635-R828 HydrophobicContact CD1-CB 3.77Å; F635-R828 HydrophobicContact CD2-CB 4.5Å; F635-R828 HydrophobicContact CE1-CB 4Å; F635-R828 HydrophobicContact CG-CB 4.04Å; F635-R828 HydrophobicContact CZ-CB 4.46Å | ||
| 636 | K | 87.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 19% | 0.191 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 139.6 | 178.5 | -176.9 | 175.4 | 178 | -174.8 | 0 | 109.7 | M658 C754 N755 M757 L758 | K636-M658 PolarHBondContact N-O 3.12Å; K636-M658 WeakPolarHBondContact O-CB 3.29Å; K636-M658 PolarHBondContact O-N 2.87Å; K636-C754 PolarHBondContact NZ-O 3.48Å; K636-N755 WeakPolarHBondContact CD-O 3.08Å; K636-M757 WeakPolarHBondContact CD-O 3.33Å; K636-M757 PolarHBondContact NZ-O 3.48Å; K636-L758 HydrophobicContact CB-CD2 4.37Å; K636-L758 HydrophobicContact CD-CD2 4.13Å; K636-L758 HydrophobicContact CG-CD2 4.47Å |
| 637 | S | 88.8 | Confident | 82.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.1 | 166.9 | -40.8 | 0 | 0 | 0 | 0 | 110.5 | D615 Q656 H657 | D615-S637 WeakPolarHBondContact OD1-CB 3.27Å; D615-S637 PolarHBondContact OD1-N 3.1Å; D615-S637 PolarHBondContact OD1-OG 2.9Å; S637-Q656 CarbonylContact C-O 3.58Å; S637-Q656 WeakPolarHBondContact CA-O 3.45Å; S637-H657 WeakPolarHBondContact CB-ND1 3.31Å; S637-H657 PolarHBondContact OG-ND1 3.5Å |
| 638 | S | 87.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 168.2 | 171.5 | 75.4 | 0 | 0 | 0 | 0 | 110.9 | L655 Q656 | S638-L655 WeakPolarHBondContact O-CD1 3.31Å; S638-Q656 PolarHBondContact N-O 3.35Å; S638-Q656 PolarHBondContact OG-N 3.4Å |
| 639 | S | 86.2 | Confident | 83.4 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 152 | 159.2 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | V641 | S639-V641 PolarHBondContact O-N 2.81Š|
| 640 | P | 87.8 | Confident | 84.1 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 132.4 | 175 | -11.9 | 19.5 | 0 | 0 | 0 | 110.8 | L655 | P640-L655 HydrophobicContact CB-CD1 4.05Å; P640-L655 HydrophobicContact CG-CD1 3.67Å; P640-L655 VanDerWaalsContact N-CD1 3.33Å |
| 641 | V | 88.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.418 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.6 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | S639 L643 S653 C654 | S639-V641 PolarHBondContact O-N 2.81Å; V641-L643 HydrophobicContact CG1-CD2 4.15Å; V641-L643 PolarHBondContact O-N 3.14Å; V641-S653 CarbonylContact O-C 3.53Å; V641-S653 WeakPolarHBondContact O-CA 3.41Å; V641-C654 PolarHBondContact N-O 2.84Å; V641-C654 PolarHBondContact O-N 3.26Å |
| 642 | L | 90.3 | Very high | 85.4 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 40% | 0.398 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.1 | 177.3 | -170.2 | 72.7 | 0 | 0 | 0 | 109.6 | T644 A646 R651 | L642-T644 WeakPolarHBondContact CD2-O 3.42Å; L642-T644 WeakPolarHBondContact CG-O 3.41Å; L642-A646 HydrophobicContact CD2-CB 4.1Å; L642-R651 HydrophobicContact CD1-CB 4.49Å |
| 643 | L | 89.9 | Confident | 86 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -104.1 | -2 | -176.8 | -54.7 | -176.8 | 0 | 0 | 0 | 113.8 | V641 V652 C654 F667 L746 E747 V749 | V641-L643 HydrophobicContact CG1-CD2 4.15Å; V641-L643 PolarHBondContact O-N 3.14Å; L643-V652 PolarHBondContact N-O 3.32Å; L643-C654 HydrophobicContact CD1-CB 3.65Å; L643-C654 HydrophobicContact CD2-CB 4.32Å; L643-C654 HydrophobicContact CG-CB 3.99Å; L643-F667 HydrophobicContact CD1-CD1 3.81Å; L643-F667 HydrophobicContact CD1-CE1 3.5Å; L643-F667 VanDerWaalsContact CD1-CE1 3.5Å; L643-L746 HydrophobicContact CB-CB 4.13Å; L643-L746 HydrophobicContact CB-CD2 4.4Å; L643-L746 HydrophobicContact CD1-CB 4.48Å; L643-L746 HydrophobicContact CD1-CD1 4.32Å; L643-E747 HydrophobicContact CD2-CB 4.43Å; L643-E747 PolarHBondContact O-N 3.2Å; L643-E747 VanDerWaalsContact O-N 3.07Å; L643-V749 HydrophobicContact CD1-CG2 3.49Å; L643-V749 VanDerWaalsContact CD1-CG2 3.49Å; L643-V749 HydrophobicContact CD2-CG2 3.73Å; L643-V749 HydrophobicContact CG-CG2 4.26Å | ||
| 644 | T | 89.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -122.6 | 156 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | L642 A646 R651 V652 F744 L746 | L642-T644 WeakPolarHBondContact CD2-O 3.42Å; L642-T644 WeakPolarHBondContact CG-O 3.41Å; T644-A646 PolarHBondContact O-N 3.01Å; T644-R651 WeakPolarHBondContact OG1-CA 3.48Å; T644-V652 HydrophobicContact CG2-CB 3.91Å; T644-V652 HydrophobicContact CG2-CG2 4.01Å; T644-V652 PolarHBondContact OG1-N 3.36Å; T644-F744 HydrophobicContact CG2-CD1 4.39Å; T644-F744 HydrophobicContact CG2-CE1 3.97Å; T644-L746 HydrophobicContact CG2-CD2 3.39Å |
| 645 | D | 83.2 | Confident | 86.6 | Confident | 120 Ų | 120 | 49.2 Ų | 49.2 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | trans | -59.2 | 142.5 | 167.8 | -81.5 | -39.2 | 0 | 0 | 0 | 110.6 | D647 M648 | D645-D647 PolarHBondContact O-N 3.42Å; D645-M648 HydrophobicContact CB-CG 3.91Å; D645-M648 WeakPolarHBondContact O-CB 3.49Å; D645-M648 WeakPolarHBondContact O-CG 3.41Å; D645-M648 PolarHBondContact O-N 2.96Å | ||
| 646 | A | 76.8 | Confident | 86.7 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L642 T644 R651 | L642-A646 HydrophobicContact CD2-CB 4.1Å; T644-A646 PolarHBondContact O-N 3.01Å; A646-R651 PolarHBondContact O-NE 2.81Å; A646-R651 PolarHBondContact O-NH2 2.82Å |
| 647 | D | 73.9 | Confident | 86.8 | Confident | 126 Ų | 126 | 45.6 Ų | 45.6 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.4 | 179.3 | -65 | -24.2 | 0 | 0 | 0 | 112.7 | H204 D645 | H204-D647 IonicContact ND1-OD2 3.61Å; D645-D647 PolarHBondContact O-N 3.42Å |
| 648 | M | 81.2 | Confident | 86.7 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -68.7 | 144.3 | 176.1 | -68.9 | -62.9 | -57.9 | 0 | 0 | 111.4 | D645 I650 F744 | D645-M648 HydrophobicContact CB-CG 3.91Å; D645-M648 WeakPolarHBondContact O-CB 3.49Å; D645-M648 WeakPolarHBondContact O-CG 3.41Å; D645-M648 PolarHBondContact O-N 2.96Å; M648-I650 PolarHBondContact O-N 2.96Å; M648-F744 HydrophobicContact CE-CD2 4.18Å; M648-F744 HydrophobicContact CE-CE1 4.38Å; M648-F744 HydrophobicContact CE-CE2 3.29Å; M648-F744 HydrophobicContact CE-CZ 3.42Å; M648-F744 VanDerWaalsContact CE-CZ 3.42Å; M648-F744 HydrophobicContact CG-CZ 4.44Å; M648-F744 HydrophobicContact SD-CE2 4.48Å; M648-F744 HydrophobicContact SD-CZ 4.2Å |
| 649 | E | 83.6 | Confident | 86.6 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -60.6 | -32.7 | 178.8 | -71.2 | 169.9 | 179.1 | 0 | 0 | 112.2 | T672 L673 | E649-T672 VanDerWaalsContact C-OG1 3.26Å; E649-T672 VanDerWaalsContact CA-OG1 3.29Å; E649-T672 WeakPolarHBondContact CA-OG1 3.33Å; E649-T672 WeakPolarHBondContact O-CA 3.18Å; E649-T672 WeakPolarHBondContact O-CB 3.24Å; E649-T672 PolarHBondContact O-N 3.16Å; E649-T672 PolarHBondContact O-OG1 2.84Å; E649-L673 HydrophobicContact CB-CD1 4.08Å; E649-L673 HydrophobicContact CB-CD2 3.98Å; E649-L673 HydrophobicContact CB-CG 3.89Å; E649-L673 HydrophobicContact CG-CD2 3.83Å; E649-L673 HydrophobicContact CG-CG 4.3Å |
| 650 | I | 87.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115 | 172.1 | -49.8 | 172.5 | 0 | 0 | 0 | 107.4 | M648 V652 Q670 L678 L725 Y727 | M648-I650 PolarHBondContact O-N 2.96Å; I650-V652 HydrophobicContact CG2-CG2 4.39Å; I650-Q670 CarbonylContact C-O 3.54Å; I650-Q670 WeakPolarHBondContact CA-O 3.34Å; I650-L678 HydrophobicContact CD1-CD1 3.69Å; I650-L678 HydrophobicContact CD1-CD2 3.7Å; I650-L678 HydrophobicContact CD1-CG 4.36Å; I650-L678 HydrophobicContact CG1-CD1 3.87Å; I650-L678 HydrophobicContact CG1-CD2 4.41Å; I650-L678 HydrophobicContact CG2-CD1 3.97Å; I650-L725 HydrophobicContact CD1-CD2 4.46Å; I650-L725 HydrophobicContact CG2-CD2 3.81Å; I650-Y727 HydrophobicContact CD1-CD1 4.14Å; I650-Y727 HydrophobicContact CD1-CD2 4.28Å; I650-Y727 HydrophobicContact CD1-CE1 3.67Å; I650-Y727 HydrophobicContact CD1-CE2 3.84Å; I650-Y727 HydrophobicContact CD1-CG 4.43Å |
| 651 | R | 88.9 | Confident | 86 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.2 | 176.5 | -65.8 | 179.4 | -179.5 | 168.2 | -0.3 | 109.9 | L642 T644 A646 C669 Q670 | L642-R651 HydrophobicContact CD1-CB 4.49Å; T644-R651 WeakPolarHBondContact OG1-CA 3.48Å; A646-R651 PolarHBondContact O-NE 2.81Å; A646-R651 PolarHBondContact O-NH2 2.82Å; R651-C669 CarbonylContact O-C 3.57Å; R651-C669 WeakPolarHBondContact O-CA 3.34Å; R651-Q670 HydrophobicContact CB-CB 4.26Å; R651-Q670 PolarHBondContact N-O 3.07Å; R651-Q670 PolarHBondContact O-N 3.13Å |
| 652 | V | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.9 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | L643 T644 I650 F667 D668 L725 L746 | L643-V652 PolarHBondContact N-O 3.32Å; T644-V652 HydrophobicContact CG2-CB 3.91Å; T644-V652 HydrophobicContact CG2-CG2 4.01Å; T644-V652 PolarHBondContact OG1-N 3.36Å; I650-V652 HydrophobicContact CG2-CG2 4.39Å; V652-F667 HydrophobicContact CG1-CB 4.11Å; V652-F667 HydrophobicContact CG1-CD1 3.97Å; V652-D668 CarbonylContact C-O 3.58Å; V652-D668 WeakPolarHBondContact CA-O 3.24Å; V652-L725 HydrophobicContact CG2-CD1 4.23Å; V652-L725 HydrophobicContact CG2-CD2 3.94Å; V652-L746 HydrophobicContact CB-CD1 4.27Å; V652-L746 HydrophobicContact CB-CD2 3.94Å; V652-L746 HydrophobicContact CG1-CD1 3.91Å; V652-L746 HydrophobicContact CG1-CD2 4.48Å; V652-L746 HydrophobicContact CG2-CD1 4.45Å; V652-L746 HydrophobicContact CG2-CD2 3.94Å |
| 653 | S | 91.1 | Very high | 85.1 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.5 | 171.2 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | V641 F667 D668 | V641-S653 CarbonylContact O-C 3.53Å; V641-S653 WeakPolarHBondContact O-CA 3.41Å; S653-F667 CarbonylContact O-C 3.6Å; S653-F667 VanDerWaalsContact O-CA 3.28Å; S653-F667 WeakPolarHBondContact O-CA 3.39Å; S653-D668 PolarHBondContact N-O 2.76Å; S653-D668 PolarHBondContact O-N 3.42Å |
| 654 | C | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | V641 L643 Q666 F667 V749 | V641-C654 PolarHBondContact N-O 2.84Å; V641-C654 PolarHBondContact O-N 3.26Å; L643-C654 HydrophobicContact CD1-CB 3.65Å; L643-C654 HydrophobicContact CD2-CB 4.32Å; L643-C654 HydrophobicContact CG-CB 3.99Å; C654-Q666 CarbonylContact C-O 3.39Å; C654-Q666 VanDerWaalsContact CA-O 3.26Å; C654-Q666 WeakPolarHBondContact CA-O 3.45Å; C654-F667 HydrophobicContact CB-CD1 3.93Å; C654-F667 HydrophobicContact CB-CE1 3.9Å; C654-V749 HydrophobicContact CB-CG2 4.24Å |
| 655 | L | 89.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.9 | 171.1 | -158.9 | 76.6 | 0 | 0 | 0 | 108.6 | Y618 S638 P640 H657 F665 Q666 | Y618-L655 HydrophobicContact CD1-CD2 3.98Å; Y618-L655 HydrophobicContact CD2-CD2 4.08Å; Y618-L655 HydrophobicContact CE1-CD2 3.57Å; Y618-L655 HydrophobicContact CE2-CD2 3.68Å; Y618-L655 HydrophobicContact CG-CD2 4.25Å; Y618-L655 VanDerWaalsContact CZ-CD2 3.4Å; S638-L655 WeakPolarHBondContact O-CD1 3.31Å; P640-L655 HydrophobicContact CB-CD1 4.05Å; P640-L655 HydrophobicContact CG-CD1 3.67Å; P640-L655 VanDerWaalsContact N-CD1 3.33Å; L655-H657 WeakPolarHBondContact CD2-CE1 3.49Å; L655-H657 WeakPolarHBondContact CD2-NE2 3.25Å; L655-F665 WeakPolarHBondContact O-CA 3.39Å; L655-Q666 HydrophobicContact CB-CB 4.16Å; L655-Q666 PolarHBondContact N-O 3.35Å; L655-Q666 PolarHBondContact O-N 3.5Å |
| 656 | Q | 89.2 | Confident | 85.2 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.9 | -179.7 | -51.4 | 176.7 | 10.3 | 0 | 0 | 109.6 | S637 S638 M658 V663 V664 F665 V749 E750 N755 | S637-Q656 CarbonylContact C-O 3.58Å; S637-Q656 WeakPolarHBondContact CA-O 3.45Å; S638-Q656 PolarHBondContact N-O 3.35Å; S638-Q656 PolarHBondContact OG-N 3.4Å; Q656-M658 HydrophobicContact CB-CE 3.55Å; Q656-M658 HydrophobicContact CG-CE 4.47Å; Q656-M658 VanDerWaalsContact OE1-CE 3.24Å; Q656-V663 HydrophobicContact CB-CG1 4.36Å; Q656-V664 CarbonylContact C-O 3.55Å; Q656-V664 WeakPolarHBondContact CA-O 3.06Å; Q656-F665 HydrophobicContact CG-CD1 3.83Å; Q656-F665 HydrophobicContact CG-CE1 3.81Å; Q656-V749 VanDerWaalsContact NE2-CG1 3.33Å; Q656-E750 PolarHBondContact NE2-O 2.75Å; Q656-N755 PolarHBondContact OE1-ND2 3.19Å |
| 657 | H | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115 | 173.5 | -48.7 | -83.3 | 0 | 0 | 0 | 110.1 | Y618 L622 S637 L655 F659 V663 V664 Q666 | Y618-H657 AromaticContact CD1-CE1 3.95Å; Y618-H657 AromaticContact CD2-CE1 3.89Å; Y618-H657 AromaticContact CG-CE1 3.55Å; L622-H657 HydrophobicContact CD1-CB 4.17Å; S637-H657 WeakPolarHBondContact CB-ND1 3.31Å; S637-H657 PolarHBondContact OG-ND1 3.5Å; L655-H657 WeakPolarHBondContact CD2-CE1 3.49Å; L655-H657 WeakPolarHBondContact CD2-NE2 3.25Å; H657-F659 HydrophobicContact CB-CE2 3.98Å; H657-V663 CarbonylContact O-C 3.51Å; H657-V663 WeakPolarHBondContact O-CA 3.46Å; H657-V664 HydrophobicContact CB-CB 4.2Å; H657-V664 PolarHBondContact N-O 2.86Å; H657-V664 PolarHBondContact O-N 2.89Å; H657-Q666 PolarHBondContact NE2-OE1 3.46Å |
| 658 | M | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.1 | 177.5 | -56 | -60.1 | 155.9 | 0 | 0 | 109.5 | F635 K636 Q656 V663 V751 N755 Q756 | F635-M658 WeakPolarHBondContact CA-O 3.49Å; F635-M658 HydrophobicContact CB-CB 4.46Å; F635-M658 VanDerWaalsContact CB-O 3.24Å; F635-M658 WeakPolarHBondContact CB-O 3.25Å; F635-M658 HydrophobicContact CD1-CB 4.45Å; F635-M658 PolarHBondContact N-O 2.92Å; K636-M658 PolarHBondContact N-O 3.12Å; K636-M658 WeakPolarHBondContact O-CB 3.29Å; K636-M658 PolarHBondContact O-N 2.87Å; Q656-M658 HydrophobicContact CB-CE 3.55Å; Q656-M658 HydrophobicContact CG-CE 4.47Å; Q656-M658 VanDerWaalsContact OE1-CE 3.24Å; M658-V663 HydrophobicContact CE-CG1 3.66Å; M658-V663 HydrophobicContact CE-CG2 4.46Å; M658-V663 HydrophobicContact SD-CB 4.08Å; M658-V663 HydrophobicContact SD-CG1 3.54Å; M658-V663 VanDerWaalsContact SD-CG1 3.54Å; M658-V663 HydrophobicContact SD-CG2 3.46Å; M658-V663 WeakPolarHBondContact SD-CG2 3.41Å; M658-V751 HydrophobicContact CE-CG1 3.67Å; M658-V751 HydrophobicContact SD-CG1 4.21Å; M658-N755 HydrophobicContact CE-CB 3.72Å; M658-N755 HydrophobicContact CG-CB 4.46Å; M658-N755 VanDerWaalsContact CG-O 3.28Å; M658-N755 WeakPolarHBondContact CG-O 3.22Å; M658-Q756 HydrophobicContact SD-CG 4.01Å |
| 659 | F | 86.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | trans | -110.3 | 174.5 | 165.9 | -66.7 | -101.6 | 0 | 0 | 0 | 109.1 | L622 L631 G632 I634 H657 N661 Y662 V664 | L622-F659 HydrophobicContact CD1-CE2 4.24Å; L622-F659 HydrophobicContact CD1-CZ 4.03Å; L631-F659 HydrophobicContact CB-CD1 3.78Å; L631-F659 HydrophobicContact CB-CE1 3.79Å; L631-F659 HydrophobicContact CB-CG 4.23Å; L631-F659 HydrophobicContact CB-CZ 4.26Å; L631-F659 HydrophobicContact CD1-CE2 4.38Å; L631-F659 HydrophobicContact CD1-CZ 4.39Å; G632-F659 VanDerWaalsContact O-CE1 3.32Å; G632-F659 WeakPolarHBondContact O-CE1 3.29Å; I634-F659 HydrophobicContact CD1-CZ 4.35Å; I634-F659 HydrophobicContact CG1-CE1 3.74Å; I634-F659 HydrophobicContact CG1-CE2 4.15Å; I634-F659 HydrophobicContact CG1-CZ 3.51Å; H657-F659 HydrophobicContact CB-CE2 3.98Å; F659-N661 VanDerWaalsContact C-N 3.27Å; F659-N661 PolarHBondContact O-N 3.19Å; F659-Y662 WeakPolarHBondContact CA-O 3.27Å; F659-Y662 WeakPolarHBondContact CB-O 3.38Å; F659-Y662 PolarHBondContact N-O 3.48Å; F659-V664 HydrophobicContact CD2-CG2 4.06Å; F659-V664 HydrophobicContact CE2-CB 4.22Å; F659-V664 HydrophobicContact CE2-CG2 3.55Å; F659-V664 HydrophobicContact CZ-CG2 4.45Å | ||
| 660 | S | 81.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 25.3 Ų | 25.3 | 41% | 0.413 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -57.3 | -40.6 | -179.1 | -49 | 0 | 0 | 0 | 0 | 113 | R828 | S660-R828 WeakPolarHBondContact CA-O 3.05Š|
| 661 | N | 78.4 | Confident | 87.2 | Confident | 111 Ų | 111 | 24.6 Ų | 24.6 | 59% | 0.594 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -119.6 | -11.6 | -176.4 | -64.3 | -35.1 | 0 | 0 | 0 | 114.1 | F659 | F659-N661 VanDerWaalsContact C-N 3.27Å; F659-N661 PolarHBondContact O-N 3.19Å |
| 662 | Y | 79.7 | Confident | 87 | Confident | 87 Ų | 87 | 22.6 Ų | 22.6 | 34% | 0.341 | 12% | 0.12 | S | C | . | . | trans | -132.3 | 159.8 | -170.8 | -55.2 | -81.8 | 0 | 0 | 0 | 111.8 | L631 F659 L715 V717 | L631-Y662 HydrophobicContact CD2-CD1 4.37Å; L631-Y662 HydrophobicContact CD2-CD2 3.45Å; L631-Y662 VanDerWaalsContact CD2-CD2 3.45Å; L631-Y662 HydrophobicContact CD2-CE2 3.81Å; L631-Y662 HydrophobicContact CD2-CG 3.77Å; F659-Y662 WeakPolarHBondContact CA-O 3.27Å; F659-Y662 WeakPolarHBondContact CB-O 3.38Å; F659-Y662 PolarHBondContact N-O 3.48Å; Y662-L715 HydrophobicContact CD1-CD1 4.26Å; Y662-L715 HydrophobicContact CD1-CD2 4.35Å; Y662-L715 HydrophobicContact CD1-CG 4.36Å; Y662-L715 HydrophobicContact CG-CD1 4.12Å; Y662-V717 HydrophobicContact CD1-CG2 3.94Å | ||
| 663 | V | 82.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.4 | 167.7 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | Q656 H657 M658 F665 L716 A718 | Q656-V663 HydrophobicContact CB-CG1 4.36Å; H657-V663 CarbonylContact O-C 3.51Å; H657-V663 WeakPolarHBondContact O-CA 3.46Å; M658-V663 HydrophobicContact CE-CG1 3.66Å; M658-V663 HydrophobicContact CE-CG2 4.46Å; M658-V663 HydrophobicContact SD-CB 4.08Å; M658-V663 HydrophobicContact SD-CG1 3.54Å; M658-V663 VanDerWaalsContact SD-CG1 3.54Å; M658-V663 HydrophobicContact SD-CG2 3.46Å; M658-V663 WeakPolarHBondContact SD-CG2 3.41Å; V663-F665 HydrophobicContact CB-CE2 4.18Å; V663-F665 HydrophobicContact CG1-CD2 4.4Å; V663-F665 HydrophobicContact CG1-CE1 4.48Å; V663-F665 HydrophobicContact CG1-CE2 3.92Å; V663-F665 HydrophobicContact CG1-CZ 3.97Å; V663-L716 CarbonylContact C-O 3.58Å; V663-L716 WeakPolarHBondContact CA-O 3.4Å; V663-L716 VanDerWaalsContact CB-O 3.25Å; V663-L716 WeakPolarHBondContact CB-O 3.43Å; V663-L716 PolarHBondContact N-O 3.27Å; V663-L716 CarbonylContact O-C 3.57Å; V663-L716 PolarHBondContact O-N 2.9Å; V663-A718 HydrophobicContact CG2-CB 4.43Å |
| 664 | V | 86.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | L622 F628 L631 Q656 H657 F659 L713 F714 L715 | L622-V664 HydrophobicContact CD2-CG1 4.23Å; F628-V664 HydrophobicContact CD1-CG1 4.22Å; F628-V664 HydrophobicContact CD1-CG2 3.78Å; F628-V664 HydrophobicContact CE1-CG1 3.89Å; F628-V664 HydrophobicContact CE1-CG2 3.96Å; L631-V664 HydrophobicContact CD1-CG2 3.78Å; Q656-V664 CarbonylContact C-O 3.55Å; Q656-V664 WeakPolarHBondContact CA-O 3.06Å; H657-V664 HydrophobicContact CB-CB 4.2Å; H657-V664 PolarHBondContact N-O 2.86Å; H657-V664 PolarHBondContact O-N 2.89Å; F659-V664 HydrophobicContact CD2-CG2 4.06Å; F659-V664 HydrophobicContact CE2-CB 4.22Å; F659-V664 HydrophobicContact CE2-CG2 3.55Å; F659-V664 HydrophobicContact CZ-CG2 4.45Å; V664-L713 HydrophobicContact CG1-CD2 3.67Å; V664-F714 CarbonylContact C-O 3.56Å; V664-F714 VanDerWaalsContact CA-O 3.31Å; V664-F714 WeakPolarHBondContact CA-O 3.22Å; V664-L715 HydrophobicContact CG2-CD1 3.62Å |
| 665 | F | 88.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.4 | 170.8 | -62.1 | -92.5 | 0 | 0 | 0 | 107.9 | L655 Q656 V663 F667 M685 F714 L716 F721 V749 V751 | L655-F665 WeakPolarHBondContact O-CA 3.39Å; Q656-F665 HydrophobicContact CG-CD1 3.83Å; Q656-F665 HydrophobicContact CG-CE1 3.81Å; V663-F665 HydrophobicContact CB-CE2 4.18Å; V663-F665 HydrophobicContact CG1-CD2 4.4Å; V663-F665 HydrophobicContact CG1-CE1 4.48Å; V663-F665 HydrophobicContact CG1-CE2 3.92Å; V663-F665 HydrophobicContact CG1-CZ 3.97Å; F665-F667 HydrophobicContact CB-CD2 4.33Å; F665-F667 HydrophobicContact CB-CE2 3.62Å; F665-F667 HydrophobicContact CB-CZ 4.14Å; F665-M685 HydrophobicContact CB-CE 4.49Å; F665-M685 HydrophobicContact CB-SD 4.17Å; F665-M685 HydrophobicContact CD1-CE 4.04Å; F665-M685 HydrophobicContact CD2-CE 4.1Å; F665-M685 HydrophobicContact CD2-SD 4.24Å; F665-M685 HydrophobicContact CE1-CE 4.26Å; F665-M685 HydrophobicContact CE2-CE 4.32Å; F665-M685 HydrophobicContact CG-CE 3.95Å; F665-M685 HydrophobicContact CG-SD 4.15Å; F665-M685 HydrophobicContact CZ-CE 4.39Å; F665-F714 HydrophobicContact CB-CB 4.34Å; F665-F714 PolarHBondContact N-O 3.45Å; F665-F714 PolarHBondContact O-N 2.86Å; F665-L716 HydrophobicContact CD2-CB 3.87Å; F665-L716 HydrophobicContact CD2-CD1 4.42Å; F665-L716 HydrophobicContact CE2-CB 3.66Å; F665-F721 HydrophobicContact CE1-CD2 4.45Å; F665-F721 HydrophobicContact CE1-CE2 4.48Å; F665-F721 HydrophobicContact CE2-CD2 4.34Å; F665-F721 AromaticContact CE2-CE2 3.77Å; F665-F721 HydrophobicContact CE2-CE2 3.77Å; F665-F721 HydrophobicContact CE2-CZ 4.45Å; F665-F721 AromaticContact CZ-CD2 3.92Å; F665-F721 HydrophobicContact CZ-CD2 3.92Å; F665-F721 AromaticContact CZ-CE2 3.54Å; F665-F721 HydrophobicContact CZ-CE2 3.54Å; F665-V749 HydrophobicContact CD1-CG1 3.87Å; F665-V749 HydrophobicContact CE1-CG1 3.62Å; F665-V751 HydrophobicContact CE1-CG2 3.84Å; F665-V751 HydrophobicContact CZ-CG2 3.45Å; F665-V751 VanDerWaalsContact CZ-CG2 3.45Å |
| 666 | Q | 88.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.6 | 171 | -179.2 | 179.3 | -34.3 | 0 | 0 | 108 | C654 L655 H657 D668 H711 S712 L713 | C654-Q666 CarbonylContact C-O 3.39Å; C654-Q666 VanDerWaalsContact CA-O 3.26Å; C654-Q666 WeakPolarHBondContact CA-O 3.45Å; L655-Q666 HydrophobicContact CB-CB 4.16Å; L655-Q666 PolarHBondContact N-O 3.35Å; L655-Q666 PolarHBondContact O-N 3.5Å; H657-Q666 PolarHBondContact NE2-OE1 3.46Å; Q666-D668 WeakPolarHBondContact CG-OD1 3.44Å; Q666-D668 PolarHBondContact NE2-OD1 3.42Å; Q666-H711 HydrophobicContact CG-CB 4.13Å; Q666-S712 CarbonylContact C-O 3.47Å; Q666-S712 WeakPolarHBondContact CA-O 3.43Å; Q666-L713 HydrophobicContact CB-CD2 3.49Å; Q666-L713 VanDerWaalsContact CB-CD2 3.49Å; Q666-L713 HydrophobicContact CB-CG 4.49Å; Q666-L713 HydrophobicContact CG-CD2 3.72Å; Q666-L713 HydrophobicContact CG-CG 4.34Å |
| 667 | F | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 101.5 | 174.9 | -64.9 | -93.4 | 0 | 0 | 0 | 109.3 | L643 V652 S653 C654 F665 C669 V683 M685 H711 S712 F714 V749 | L643-F667 HydrophobicContact CD1-CD1 3.81Å; L643-F667 HydrophobicContact CD1-CE1 3.5Å; L643-F667 VanDerWaalsContact CD1-CE1 3.5Å; V652-F667 HydrophobicContact CG1-CB 4.11Å; V652-F667 HydrophobicContact CG1-CD1 3.97Å; S653-F667 CarbonylContact O-C 3.6Å; S653-F667 VanDerWaalsContact O-CA 3.28Å; S653-F667 WeakPolarHBondContact O-CA 3.39Å; C654-F667 HydrophobicContact CB-CD1 3.93Å; C654-F667 HydrophobicContact CB-CE1 3.9Å; F665-F667 HydrophobicContact CB-CD2 4.33Å; F665-F667 HydrophobicContact CB-CE2 3.62Å; F665-F667 HydrophobicContact CB-CZ 4.14Å; F667-C669 PolarHBondContact O-N 3.2Å; F667-V683 HydrophobicContact CB-CG2 3.96Å; F667-V683 HydrophobicContact CD1-CB 4.35Å; F667-V683 HydrophobicContact CD1-CG1 4.01Å; F667-V683 HydrophobicContact CD1-CG2 4.08Å; F667-V683 HydrophobicContact CD2-CB 4.16Å; F667-V683 HydrophobicContact CD2-CG1 4.35Å; F667-V683 HydrophobicContact CD2-CG2 4.35Å; F667-V683 HydrophobicContact CE1-CG1 3.8Å; F667-V683 HydrophobicContact CE2-CB 4.35Å; F667-V683 HydrophobicContact CE2-CG1 4.16Å; F667-V683 HydrophobicContact CG-CB 4.15Å; F667-V683 HydrophobicContact CG-CG1 4.28Å; F667-V683 HydrophobicContact CG-CG2 3.89Å; F667-V683 HydrophobicContact CZ-CG1 3.88Å; F667-M685 HydrophobicContact CE2-CE 4.39Å; F667-M685 HydrophobicContact CE2-CG 4.17Å; F667-M685 HydrophobicContact CE2-SD 3.47Å; F667-M685 WeakPolarHBondContact CE2-SD 3.47Å; F667-M685 HydrophobicContact CZ-CE 3.84Å; F667-M685 HydrophobicContact CZ-CG 3.95Å; F667-M685 HydrophobicContact CZ-SD 3.43Å; F667-M685 WeakPolarHBondContact CZ-SD 3.25Å; F667-H711 CarbonylContact O-C 3.51Å; F667-H711 VanDerWaalsContact O-CA 3.27Å; F667-H711 WeakPolarHBondContact O-CA 3.36Å; F667-S712 PolarHBondContact N-O 3.4Å; F667-S712 PolarHBondContact O-N 3.32Å; F667-F714 AromaticContact CD2-CD2 3.43Å; F667-F714 HydrophobicContact CD2-CD2 3.43Å; F667-F714 VanDerWaalsContact CD2-CD2 3.43Å; F667-F714 AromaticContact CD2-CE2 3.7Å; F667-F714 HydrophobicContact CD2-CE2 3.7Å; F667-F714 HydrophobicContact CD2-CG 4.45Å; F667-F714 HydrophobicContact CE2-CB 4.5Å; F667-F714 AromaticContact CE2-CD2 3.54Å; F667-F714 HydrophobicContact CE2-CD2 3.54Å; F667-F714 HydrophobicContact CE2-CE2 4.05Å; F667-F714 HydrophobicContact CE2-CG 4.17Å; F667-V749 HydrophobicContact CE1-CG2 4.19Å |
| 668 | D | 89.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 111.9 | 173.2 | -62.2 | -21.4 | 0 | 0 | 0 | 108.4 | V652 S653 Q666 D710 H711 | V652-D668 CarbonylContact C-O 3.58Å; V652-D668 WeakPolarHBondContact CA-O 3.24Å; S653-D668 PolarHBondContact N-O 2.76Å; S653-D668 PolarHBondContact O-N 3.42Å; Q666-D668 WeakPolarHBondContact CG-OD1 3.44Å; Q666-D668 PolarHBondContact NE2-OD1 3.42Å; D668-D710 CarbonylContact C-O 3.58Å; D668-H711 WeakPolarHBondContact OD1-CB 3.45Å |
| 669 | C | 89.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.8 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | R651 F667 I704 S709 D710 | R651-C669 CarbonylContact O-C 3.57Å; R651-C669 WeakPolarHBondContact O-CA 3.34Å; F667-C669 PolarHBondContact O-N 3.2Å; C669-I704 HydrophobicContact CB-CD1 3.58Å; C669-S709 CarbonylContact O-C 3.51Å; C669-S709 WeakPolarHBondContact O-CA 3.42Å; C669-D710 CarbonylContact C-O 3.6Å; C669-D710 PolarHBondContact N-O 2.86Å; C669-D710 PolarHBondContact O-N 3.49Å |
| 670 | Q | 88.4 | Confident | 85.1 | Confident | 75 Ų | 75 | 37.5 Ų | 37.5 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.1 | 177.9 | -179.3 | -178.2 | 20.8 | 0 | 0 | 110 | I650 R651 T672 | I650-Q670 CarbonylContact C-O 3.54Å; I650-Q670 WeakPolarHBondContact CA-O 3.34Å; R651-Q670 HydrophobicContact CB-CB 4.26Å; R651-Q670 PolarHBondContact N-O 3.07Å; R651-Q670 PolarHBondContact O-N 3.13Å; Q670-T672 HydrophobicContact CG-CG2 4.08Å |
| 671 | N | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.5 | 171.7 | -178.7 | 8.9 | 0 | 0 | 0 | 109.3 | L673 Q676 L678 I704 L705 N707 A708 | N671-L673 VanDerWaalsContact OD1-CB 3.29Å; N671-L673 WeakPolarHBondContact OD1-CB 3.47Å; N671-L673 PolarHBondContact OD1-N 3.33Å; N671-Q676 PolarHBondContact ND2-O 3.38Å; N671-L678 HydrophobicContact CB-CD1 3.79Å; N671-L678 HydrophobicContact CB-CG 4.24Å; N671-I704 HydrophobicContact CB-CB 4.38Å; N671-I704 HydrophobicContact CB-CG2 3.66Å; N671-I704 PolarHBondContact ND2-O 3.07Å; N671-L705 PolarHBondContact ND2-O 3.42Å; N671-N707 CarbonylContact O-C 3.51Å; N671-N707 WeakPolarHBondContact O-CA 3.45Å; N671-N707 PolarHBondContact O-N 3.16Å; N671-N707 VanDerWaalsContact O-N 3.11Å; N671-A708 PolarHBondContact N-O 3.05Å; N671-A708 PolarHBondContact O-N 3.03Å |
| 672 | T | 84.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 32.1 Ų | 32.1 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | trans | -97.7 | 4.1 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | E649 Q670 N707 | E649-T672 VanDerWaalsContact C-OG1 3.26Å; E649-T672 VanDerWaalsContact CA-OG1 3.29Å; E649-T672 WeakPolarHBondContact CA-OG1 3.33Å; E649-T672 WeakPolarHBondContact O-CA 3.18Å; E649-T672 WeakPolarHBondContact O-CB 3.24Å; E649-T672 PolarHBondContact O-N 3.16Å; E649-T672 PolarHBondContact O-OG1 2.84Å; Q670-T672 HydrophobicContact CG-CG2 4.08Å; T672-N707 PolarHBondContact O-OD1 3.13Å | ||
| 673 | L | 82.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 28 Ų | 28 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | trans | -77.7 | 135.7 | 175 | -64.7 | 154.1 | 0 | 0 | 0 | 110 | E649 N671 Q676 S706 N707 L729 | E649-L673 HydrophobicContact CB-CD1 4.08Å; E649-L673 HydrophobicContact CB-CD2 3.98Å; E649-L673 HydrophobicContact CB-CG 3.89Å; E649-L673 HydrophobicContact CG-CD2 3.83Å; E649-L673 HydrophobicContact CG-CG 4.3Å; N671-L673 VanDerWaalsContact OD1-CB 3.29Å; N671-L673 WeakPolarHBondContact OD1-CB 3.47Å; N671-L673 PolarHBondContact OD1-N 3.33Å; L673-Q676 HydrophobicContact CB-CB 4.05Å; L673-Q676 HydrophobicContact CD1-CB 4.22Å; L673-S706 VanDerWaalsContact O-CA 3.24Å; L673-S706 WeakPolarHBondContact O-CA 3.2Å; L673-S706 WeakPolarHBondContact O-CB 3.49Å; L673-N707 PolarHBondContact O-N 2.98Å; L673-L729 HydrophobicContact CD1-CD1 4.3Å | ||
| 674 | S | 80 | Confident | 86.2 | Confident | 81 Ų | 81 | 30.3 Ų | 30.3 | 57% | 0.566 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -80.7 | -21.2 | -174.8 | 45.2 | 0 | 0 | 0 | 0 | 114.8 | S706 | S674-S706 WeakPolarHBondContact O-CB 3.46Š|
| 675 | D | 81.2 | Confident | 86.1 | Confident | 95 Ų | 95 | 31.3 Ų | 31.3 | 51% | 0.508 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -135.5 | 7.5 | -162.8 | 53 | -42.1 | 0 | 0 | 0 | 113 | G732 | D675-G732 PolarHBondContact O-N 2.97Š|
| 676 | Q | 82.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140 | -178.2 | -64.6 | 179.1 | 2.1 | 0 | 0 | 110.2 | N671 L673 L729 K730 | N671-Q676 PolarHBondContact ND2-O 3.38Å; L673-Q676 HydrophobicContact CB-CB 4.05Å; L673-Q676 HydrophobicContact CD1-CB 4.22Å; Q676-L729 HydrophobicContact CB-CD2 3.93Å; Q676-L729 HydrophobicContact CB-CG 4.32Å; Q676-L729 VanDerWaalsContact CD-CD2 3.41Å; Q676-L729 HydrophobicContact CG-CD2 3.83Å; Q676-K730 WeakPolarHBondContact CA-O 3.44Å |
| 677 | I | 85.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.046 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142.7 | 175.5 | -61.6 | 175.4 | 0 | 0 | 0 | 108.2 | R703 L705 K730 | I677-R703 HydrophobicContact CG2-CG 3.66Å; I677-L705 HydrophobicContact CD1-CD2 3.94Å; I677-L705 HydrophobicContact CG1-CD2 4.33Å; I677-L705 HydrophobicContact CG2-CD2 4.49Å; I677-K730 PolarHBondContact N-O 3.03Å; I677-K730 PolarHBondContact O-N 3.27Å |
| 678 | L | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.1 | 171.8 | -49.6 | 174.2 | 0 | 0 | 0 | 108.9 | I650 N671 V681 R703 I704 Y727 L729 | I650-L678 HydrophobicContact CD1-CD1 3.69Å; I650-L678 HydrophobicContact CD1-CD2 3.7Å; I650-L678 HydrophobicContact CD1-CG 4.36Å; I650-L678 HydrophobicContact CG1-CD1 3.87Å; I650-L678 HydrophobicContact CG1-CD2 4.41Å; I650-L678 HydrophobicContact CG2-CD1 3.97Å; N671-L678 HydrophobicContact CB-CD1 3.79Å; N671-L678 HydrophobicContact CB-CG 4.24Å; L678-V681 HydrophobicContact CB-CG2 3.48Å; L678-V681 VanDerWaalsContact CB-CG2 3.48Å; L678-R703 CarbonylContact O-C 3.59Å; L678-R703 WeakPolarHBondContact O-CA 3.42Å; L678-I704 HydrophobicContact CB-CB 4.26Å; L678-I704 PolarHBondContact N-O 3.18Å; L678-I704 PolarHBondContact O-N 3.09Å; L678-Y727 HydrophobicContact CD2-CD2 3.73Å; L678-Y727 HydrophobicContact CD2-CE2 4.15Å; L678-Y727 HydrophobicContact CD2-CG 4.31Å; L678-L729 HydrophobicContact CD2-CD1 3.85Å; L678-L729 HydrophobicContact CD2-CG 4.19Å |
| 679 | D | 87.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 157 | 171.6 | -89.1 | -5.1 | 0 | 0 | 0 | 110.5 | V681 D702 R703 T728 K730 | D679-V681 VanDerWaalsContact C-N 3.32Å; D679-V681 PolarHBondContact O-N 3.17Å; D679-D702 CarbonylContact C-O 3.43Å; D679-D702 WeakPolarHBondContact CA-O 3.32Å; D679-R703 WeakPolarHBondContact OD1-CB 3.27Å; D679-R703 VanDerWaalsContact OD1-CG 3.32Å; D679-R703 WeakPolarHBondContact OD1-CG 3.49Å; D679-R703 IonicContact OD1-CZ 3.02Å; D679-R703 IonicContact OD1-NE 2.74Å; D679-R703 PolarHBondContact OD1-NE 3.41Å; D679-R703 IonicContact OD1-NH2 2.87Å; D679-R703 PolarHBondContact OD1-NH2 3.38Å; D679-R703 IonicContact OD2-CZ 3.31Å; D679-R703 IonicContact OD2-NE 2.95Å; D679-R703 IonicContact OD2-NH2 2.89Å; D679-R703 PolarHBondContact OD2-NH2 3Å; D679-R703 VanDerWaalsContact OD2-NH2 3.11Å; D679-T728 PolarHBondContact N-O 3.49Å; D679-T728 PolarHBondContact O-N 3.04Å; D679-K730 WeakPolarHBondContact OD2-CD 3.28Å; D679-K730 VanDerWaalsContact OD2-CE 3.27Å; D679-K730 WeakPolarHBondContact OD2-CE 3.4Å; D679-K730 IonicContact OD2-NZ 2.69Å; D679-K730 PolarHBondContact OD2-NZ 3.39Å |
| 680 | N | 84.6 | Confident | 82.3 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 41.3 | 175.4 | -58.8 | -42.9 | 0 | 0 | 0 | 114.2 | H682 D702 | N680-H682 PolarHBondContact O-N 3.18Å; N680-H682 PolarHBondContact O-ND1 3.39Å; N680-D702 PolarHBondContact N-O 2.97Å |
| 681 | V | 87.1 | Confident | 81 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.6 | -174 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | L678 D679 C701 I704 L725 N726 | L678-V681 HydrophobicContact CB-CG2 3.48Å; L678-V681 VanDerWaalsContact CB-CG2 3.48Å; D679-V681 VanDerWaalsContact C-N 3.32Å; D679-V681 PolarHBondContact O-N 3.17Å; V681-C701 HydrophobicContact CB-CB 4.2Å; V681-C701 PolarHBondContact N-O 2.92Å; V681-C701 PolarHBondContact O-N 3.43Å; V681-I704 HydrophobicContact CB-CD1 4.2Å; V681-I704 HydrophobicContact CG1-CD1 4.09Å; V681-I704 HydrophobicContact CG2-CD1 4.01Å; V681-I704 HydrophobicContact CG2-CG1 4.05Å; V681-L725 HydrophobicContact CG1-CD1 3.66Å; V681-L725 HydrophobicContact CG1-CG 4.5Å; V681-N726 WeakPolarHBondContact CA-O 3.43Å |
| 682 | H | 87.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 143.7 | 176.6 | 69.6 | -76.3 | 0 | 0 | 0 | 112.3 | N680 E698 A700 N726 | N680-H682 PolarHBondContact O-N 3.18Å; N680-H682 PolarHBondContact O-ND1 3.39Å; H682-E698 IonicContact CD2-OE1 2.85Å; H682-A700 HydrophobicContact CB-CB 3.78Å; H682-N726 WeakPolarHBondContact CE1-CB 3.14Å; H682-N726 PolarHBondContact N-O 2.57Å; H682-N726 PolarHBondContact NE2-ND2 3.42Å; H682-N726 PolarHBondContact O-N 2.87Å; H682-N726 PolarHBondContact O-ND2 2.66Å |
| 683 | V | 87.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 103.2 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | F667 M685 F714 C723 V724 L725 L746 | F667-V683 HydrophobicContact CB-CG2 3.96Å; F667-V683 HydrophobicContact CD1-CB 4.35Å; F667-V683 HydrophobicContact CD1-CG1 4.01Å; F667-V683 HydrophobicContact CD1-CG2 4.08Å; F667-V683 HydrophobicContact CD2-CB 4.16Å; F667-V683 HydrophobicContact CD2-CG1 4.35Å; F667-V683 HydrophobicContact CD2-CG2 4.35Å; F667-V683 HydrophobicContact CE1-CG1 3.8Å; F667-V683 HydrophobicContact CE2-CB 4.35Å; F667-V683 HydrophobicContact CE2-CG1 4.16Å; F667-V683 HydrophobicContact CG-CB 4.15Å; F667-V683 HydrophobicContact CG-CG1 4.28Å; F667-V683 HydrophobicContact CG-CG2 3.89Å; F667-V683 HydrophobicContact CZ-CG1 3.88Å; V683-M685 HydrophobicContact CG1-CG 4.37Å; V683-M685 PolarHBondContact O-N 3.18Å; V683-F714 HydrophobicContact CB-CE2 3.87Å; V683-F714 HydrophobicContact CB-CZ 3.88Å; V683-F714 WeakPolarHBondContact O-CE1 3.36Å; V683-F714 WeakPolarHBondContact O-CZ 3.15Å; V683-C723 HydrophobicContact CG1-CB 3.89Å; V683-V724 CarbonylContact C-O 3.54Å; V683-V724 WeakPolarHBondContact CA-O 3.43Å; V683-L725 HydrophobicContact CG2-CD1 3.65Å; V683-L746 HydrophobicContact CG1-CD1 3.88Å; V683-L746 HydrophobicContact CG2-CD1 4.2Å |
| 684 | S | 84.8 | Confident | 77.6 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.7 | 172 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | C723 V724 N726 | S684-C723 WeakPolarHBondContact O-CA 3.37Å; S684-V724 PolarHBondContact N-O 3.43Å; S684-V724 PolarHBondContact O-N 3.21Å; S684-N726 PolarHBondContact OG-ND2 2.95Å |
| 685 | M | 83.8 | Confident | 76.9 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.9 | 174.1 | -61.3 | -174.6 | 75.1 | 0 | 0 | 111.3 | F665 F667 V683 F714 L716 F721 S722 | F665-M685 HydrophobicContact CB-CE 4.49Å; F665-M685 HydrophobicContact CB-SD 4.17Å; F665-M685 HydrophobicContact CD1-CE 4.04Å; F665-M685 HydrophobicContact CD2-CE 4.1Å; F665-M685 HydrophobicContact CD2-SD 4.24Å; F665-M685 HydrophobicContact CE1-CE 4.26Å; F665-M685 HydrophobicContact CE2-CE 4.32Å; F665-M685 HydrophobicContact CG-CE 3.95Å; F665-M685 HydrophobicContact CG-SD 4.15Å; F665-M685 HydrophobicContact CZ-CE 4.39Å; F667-M685 HydrophobicContact CE2-CE 4.39Å; F667-M685 HydrophobicContact CE2-CG 4.17Å; F667-M685 HydrophobicContact CE2-SD 3.47Å; F667-M685 WeakPolarHBondContact CE2-SD 3.47Å; F667-M685 HydrophobicContact CZ-CE 3.84Å; F667-M685 HydrophobicContact CZ-CG 3.95Å; F667-M685 HydrophobicContact CZ-SD 3.43Å; F667-M685 WeakPolarHBondContact CZ-SD 3.25Å; V683-M685 HydrophobicContact CG1-CG 4.37Å; V683-M685 PolarHBondContact O-N 3.18Å; M685-F714 HydrophobicContact SD-CB 4.22Å; M685-F714 HydrophobicContact SD-CG 4.34Å; M685-L716 HydrophobicContact CB-CD1 3.78Å; M685-L716 HydrophobicContact CE-CD1 4.04Å; M685-L716 HydrophobicContact CG-CD1 4.12Å; M685-L716 HydrophobicContact SD-CD1 3.34Å; M685-L716 WeakPolarHBondContact SD-CD1 3.45Å; M685-F721 HydrophobicContact CB-CB 4.35Å; M685-F721 HydrophobicContact CB-CD1 4.38Å; M685-F721 HydrophobicContact CE-CB 3.48Å; M685-F721 VanDerWaalsContact CE-CB 3.48Å; M685-F721 HydrophobicContact CE-CD1 4.22Å; M685-F721 HydrophobicContact CE-CD2 3.49Å; M685-F721 VanDerWaalsContact CE-CD2 3.49Å; M685-F721 HydrophobicContact CE-CE2 4.27Å; M685-F721 HydrophobicContact CE-CG 3.48Å; M685-F721 VanDerWaalsContact CE-CG 3.48Å; M685-S722 WeakPolarHBondContact CA-O 3.13Å |
| 686 | K | 81.4 | Confident | 76.2 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.3 | 174.4 | -169.2 | 178.3 | 179.6 | -179.4 | 0 | 110.4 | F721 S722 | K686-F721 CarbonylContact O-C 3.55Å; K686-F721 WeakPolarHBondContact O-CA 3.49Å; K686-S722 PolarHBondContact N-O 3.1Å; K686-S722 PolarHBondContact O-N 3.3Å |
| 687 | P | 76.8 | Confident | 75.5 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 136 | 179.4 | 23.9 | -31.1 | 0 | 0 | 0 | 111.1 | W692 F721 | P687-W692 HydrophobicContact CB-CB 3.7Å; P687-W692 HydrophobicContact CB-CG 3.65Å; P687-W692 HydrophobicContact CG-CB 3.97Å; P687-W692 HydrophobicContact CG-CG 4.41Å; P687-F721 HydrophobicContact CB-CD1 4Å; P687-F721 HydrophobicContact CB-CE1 3.91Å |
| 688 | L | 75.4 | Confident | 75 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -89.6 | -15.1 | -179.4 | -70.2 | 169 | 0 | 0 | 0 | 113.5 | S720 N748 | L688-S720 PolarHBondContact N-O 3.43Å; L688-N748 HydrophobicContact CD1-CB 4.31Å |
| 689 | G | 68.7 | Low | 74.3 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -110.4 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | W692 | G689-W692 PolarHBondContact O-NE1 2.95Š|
| 690 | P | 63.1 | Low | 73.8 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 82% | 0.818 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -80.8 | 152.2 | 166.5 | 31.6 | -32.4 | 0 | 0 | 0 | 112 | W692 | P690-W692 PolarHBondContact O-NE1 2.89Š|
| 691 | G | 60.5 | Low | 73.5 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 81% | 0.814 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 108.6 | -0.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 692 | W | 61.3 | Low | 73.1 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 134.2 | -169.6 | -48.8 | 95.4 | 0 | 0 | 0 | 112.1 | P687 G689 P690 V717 A718 S719 | P687-W692 HydrophobicContact CB-CB 3.7Å; P687-W692 HydrophobicContact CB-CG 3.65Å; P687-W692 HydrophobicContact CG-CB 3.97Å; P687-W692 HydrophobicContact CG-CG 4.41Å; G689-W692 PolarHBondContact O-NE1 2.95Å; P690-W692 PolarHBondContact O-NE1 2.89Å; W692-V717 WeakPolarHBondContact CZ3-O 3.31Å; W692-A718 HydrophobicContact CH2-CB 4.48Å; W692-A718 WeakPolarHBondContact CH2-O 3.24Å; W692-A718 HydrophobicContact CZ3-CB 3.88Å; W692-A718 WeakPolarHBondContact CZ3-O 3.36Å; W692-S719 VanDerWaalsContact CE2-OG 3.28Å; W692-S719 PolarHBondContact NE1-OG 2.85Å |
| 693 | K | 62.6 | Low | 72.9 | Confident | 165 Ų | 165 | 73.6 Ų | 73.6 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 145.4 | 167.7 | -68.2 | -178.3 | -178.7 | 177.6 | 0 | 108.9 | ||
| 694 | P | 61.2 | Low | 72.7 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 160.5 | 172.4 | 24.3 | -32.7 | 0 | 0 | 0 | 111.1 | V696 | P694-V696 PolarHBondContact O-N 2.97Š|
| 695 | P | 65.1 | Low | 72.6 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 33% | 0.331 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 139 | 177.5 | -12.4 | 20.7 | 0 | 0 | 0 | 110.4 | L715 L716 | P695-L715 VanDerWaalsContact CA-O 3.28Å; P695-L715 WeakPolarHBondContact CA-O 3.43Å; P695-L716 HydrophobicContact CB-CD2 4.1Å; P695-L716 HydrophobicContact CB-CG 4Å; P695-L716 HydrophobicContact CG-CD1 4.22Å; P695-L716 HydrophobicContact CG-CD2 3.82Å; P695-L716 HydrophobicContact CG-CG 4.02Å |
| 696 | V | 67 | Low | 72.1 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -81.4 | -32.5 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | P694 L715 | P694-V696 PolarHBondContact O-N 2.97Å; V696-L715 HydrophobicContact CB-CD2 3.86Å; V696-L715 HydrophobicContact CB-CG 4.37Å; V696-L715 HydrophobicContact CG1-CD2 4.2Å; V696-L715 PolarHBondContact N-O 3.43Å; V696-L715 VanDerWaalsContact N-O 3.16Å |
| 697 | A | 68.1 | Low | 71.8 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | trans | -148.3 | 147.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L715 | A697-L715 HydrophobicContact CB-CB 4.49Å; A697-L715 PolarHBondContact O-N 3.1Å | ||
| 698 | E | 74.2 | Confident | 71.4 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 120.7 | 177.6 | 171.3 | 170.9 | -176.3 | 0 | 0 | 107.3 | H682 F714 | H682-E698 IonicContact CD2-OE1 2.85Å; E698-F714 HydrophobicContact CB-CD1 4.14Å; E698-F714 HydrophobicContact CB-CE1 4.14Å; E698-F714 HydrophobicContact CG-CD1 3.79Å; E698-F714 HydrophobicContact CG-CE1 3.3Å; E698-F714 HydrophobicContact CG-CZ 3.8Å; E698-F714 WeakPolarHBondContact OE1-CE1 3.45Å; E698-F714 WeakPolarHBondContact OE1-CZ 3.48Å |
| 699 | I | 73.6 | Confident | 71.3 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111.8 | 170.4 | -58.9 | -171.7 | 0 | 0 | 0 | 107.3 | M625 E627 F628 S712 L713 | M625-I699 HydrophobicContact SD-CD1 3.81Å; E627-I699 VanDerWaalsContact OE2-CD1 3.25Å; E627-I699 WeakPolarHBondContact OE2-CD1 3.4Å; E627-I699 WeakPolarHBondContact OE2-CG1 3.41Å; F628-I699 HydrophobicContact CD2-CD1 4.13Å; F628-I699 HydrophobicContact CE2-CD1 3.51Å; F628-I699 HydrophobicContact CE2-CG1 3.86Å; I699-S712 WeakPolarHBondContact O-CA 3.24Å; I699-S712 VanDerWaalsContact O-CB 3.31Å; I699-S712 WeakPolarHBondContact O-CB 3.36Å; I699-L713 HydrophobicContact CB-CB 4.43Å; I699-L713 PolarHBondContact N-O 2.92Å; I699-L713 PolarHBondContact O-N 3.28Å |
| 700 | A | 76.3 | Confident | 71.7 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 35% | 0.347 | 42% | 0.422 | S | S | . | . | trans | -80.7 | 156 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H682 | H682-A700 HydrophobicContact CB-CB 3.78Š| ||
| 701 | C | 76.8 | Confident | 72.3 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.1 | 167.4 | -44.7 | 0 | 0 | 0 | 0 | 108.4 | V681 I704 D710 H711 S712 | V681-C701 HydrophobicContact CB-CB 4.2Å; V681-C701 PolarHBondContact N-O 2.92Å; V681-C701 PolarHBondContact O-N 3.43Å; C701-I704 HydrophobicContact CB-CD1 4.4Å; C701-I704 HydrophobicContact CB-CG1 4.27Å; C701-D710 HydrophobicContact CB-CB 4.17Å; C701-H711 PolarHBondContact SG-O 3.44Å; C701-S712 PolarHBondContact SG-N 3.49Å; C701-S712 VanDerWaalsContact SG-N 3.4Å |
| 702 | D | 80.4 | Confident | 72.6 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -45.7 | -179.9 | -75.2 | -24.4 | 0 | 0 | 0 | 111.6 | D679 N680 | D679-D702 CarbonylContact C-O 3.43Å; D679-D702 WeakPolarHBondContact CA-O 3.32Å; N680-D702 PolarHBondContact N-O 2.97Å |
| 703 | R | 82.4 | Confident | 72.8 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 128 | -172.5 | 178.5 | 171.8 | -70.5 | -175.8 | -4.7 | 112 | I677 L678 D679 L705 D735 | I677-R703 HydrophobicContact CG2-CG 3.66Å; L678-R703 CarbonylContact O-C 3.59Å; L678-R703 WeakPolarHBondContact O-CA 3.42Å; D679-R703 WeakPolarHBondContact OD1-CB 3.27Å; D679-R703 VanDerWaalsContact OD1-CG 3.32Å; D679-R703 WeakPolarHBondContact OD1-CG 3.49Å; D679-R703 IonicContact OD1-CZ 3.02Å; D679-R703 IonicContact OD1-NE 2.74Å; D679-R703 PolarHBondContact OD1-NE 3.41Å; D679-R703 IonicContact OD1-NH2 2.87Å; D679-R703 PolarHBondContact OD1-NH2 3.38Å; D679-R703 IonicContact OD2-CZ 3.31Å; D679-R703 IonicContact OD2-NE 2.95Å; D679-R703 IonicContact OD2-NH2 2.89Å; D679-R703 PolarHBondContact OD2-NH2 3Å; D679-R703 VanDerWaalsContact OD2-NH2 3.11Å; R703-L705 HydrophobicContact CG-CD2 4.27Å; R703-D735 IonicContact CZ-OD1 2.73Å; R703-D735 IonicContact CZ-OD2 3.65Å; R703-D735 IonicContact NH1-OD1 3.82Å; R703-D735 IonicContact NH1-OD2 2.74Å; R703-D735 PolarHBondContact NH1-OD2 3.34Å; R703-D735 IonicContact NH2-OD1 2.67Å; R703-D735 PolarHBondContact NH2-OD1 3Å; R703-D735 IonicContact NH2-OD2 3.18Å; R703-D735 PolarHBondContact NH2-OD2 3.46Å |
| 704 | I | 82.4 | Confident | 73.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.6 | 171.2 | -46.5 | -176.8 | 0 | 0 | 0 | 108.6 | C669 N671 L678 V681 C701 A708 D710 | C669-I704 HydrophobicContact CB-CD1 3.58Å; N671-I704 HydrophobicContact CB-CB 4.38Å; N671-I704 HydrophobicContact CB-CG2 3.66Å; N671-I704 PolarHBondContact ND2-O 3.07Å; L678-I704 HydrophobicContact CB-CB 4.26Å; L678-I704 PolarHBondContact N-O 3.18Å; L678-I704 PolarHBondContact O-N 3.09Å; V681-I704 HydrophobicContact CB-CD1 4.2Å; V681-I704 HydrophobicContact CG1-CD1 4.09Å; V681-I704 HydrophobicContact CG2-CD1 4.01Å; V681-I704 HydrophobicContact CG2-CG1 4.05Å; C701-I704 HydrophobicContact CB-CD1 4.4Å; C701-I704 HydrophobicContact CB-CG1 4.27Å; I704-A708 HydrophobicContact CG2-CB 4.27Å; I704-A708 WeakPolarHBondContact CG2-O 3.27Å; I704-D710 HydrophobicContact CD1-CB 4.05Å; I704-D710 HydrophobicContact CG1-CB 3.82Å |
| 705 | L | 82.6 | Confident | 73.3 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | trans | -63 | 165.7 | 177.7 | -62.5 | 176.7 | 0 | 0 | 0 | 111.9 | N671 I677 R703 N707 A708 | N671-L705 PolarHBondContact ND2-O 3.42Å; I677-L705 HydrophobicContact CD1-CD2 3.94Å; I677-L705 HydrophobicContact CG1-CD2 4.33Å; I677-L705 HydrophobicContact CG2-CD2 4.49Å; R703-L705 HydrophobicContact CG-CD2 4.27Å; L705-N707 PolarHBondContact O-N 2.94Å; L705-A708 HydrophobicContact CB-CB 3.92Å; L705-A708 WeakPolarHBondContact O-CB 3.46Å; L705-A708 PolarHBondContact O-N 3.32Å; L705-A708 VanDerWaalsContact O-N 3.12Å | ||
| 706 | S | 73.8 | Confident | 73.3 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.5 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | L673 S674 A708 | L673-S706 VanDerWaalsContact O-CA 3.24Å; L673-S706 WeakPolarHBondContact O-CA 3.2Å; L673-S706 WeakPolarHBondContact O-CB 3.49Å; S674-S706 WeakPolarHBondContact O-CB 3.46Å; S706-A708 PolarHBondContact O-N 3.25Å; S706-A708 VanDerWaalsContact O-N 3.13Å |
| 707 | N | 74.8 | Confident | 72.9 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 17.3 | -175.6 | -55.8 | -55 | 0 | 0 | 0 | 115.7 | N671 T672 L673 L705 | N671-N707 CarbonylContact O-C 3.51Å; N671-N707 WeakPolarHBondContact O-CA 3.45Å; N671-N707 PolarHBondContact O-N 3.16Å; N671-N707 VanDerWaalsContact O-N 3.11Å; T672-N707 PolarHBondContact O-OD1 3.13Å; L673-N707 PolarHBondContact O-N 2.98Å; L705-N707 PolarHBondContact O-N 2.94Å |
| 708 | A | 69.8 | Low | 72.3 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | trans | -101.2 | 167.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N671 I704 L705 S706 | N671-A708 PolarHBondContact N-O 3.05Å; N671-A708 PolarHBondContact O-N 3.03Å; I704-A708 HydrophobicContact CG2-CB 4.27Å; I704-A708 WeakPolarHBondContact CG2-O 3.27Å; L705-A708 HydrophobicContact CB-CB 3.92Å; L705-A708 WeakPolarHBondContact O-CB 3.46Å; L705-A708 PolarHBondContact O-N 3.32Å; L705-A708 VanDerWaalsContact O-N 3.12Å; S706-A708 PolarHBondContact O-N 3.25Å; S706-A708 VanDerWaalsContact O-N 3.13Å | ||
| 709 | S | 71.7 | Confident | 71.6 | Confident | 87 Ų | 87 | 40 Ų | 40 | 61% | 0.608 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.8 | 173.5 | 51 | 0 | 0 | 0 | 0 | 109.3 | C669 | C669-S709 CarbonylContact O-C 3.51Å; C669-S709 WeakPolarHBondContact O-CA 3.42Å |
| 710 | D | 77.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 176.8 | 169.9 | -157.6 | -2.2 | 0 | 0 | 0 | 109.1 | D668 C669 C701 I704 | D668-D710 CarbonylContact C-O 3.58Å; C669-D710 CarbonylContact C-O 3.6Å; C669-D710 PolarHBondContact N-O 2.86Å; C669-D710 PolarHBondContact O-N 3.49Å; C701-D710 HydrophobicContact CB-CB 4.17Å; I704-D710 HydrophobicContact CD1-CB 4.05Å; I704-D710 HydrophobicContact CG1-CB 3.82Å |
| 711 | H | 74.9 | Confident | 71.3 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 26% | 0.255 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.8 | -175.1 | 61.9 | -61 | 0 | 0 | 0 | 111.4 | Q666 F667 D668 C701 | Q666-H711 HydrophobicContact CG-CB 4.13Å; F667-H711 CarbonylContact O-C 3.51Å; F667-H711 VanDerWaalsContact O-CA 3.27Å; F667-H711 WeakPolarHBondContact O-CA 3.36Å; D668-H711 WeakPolarHBondContact OD1-CB 3.45Å; C701-H711 PolarHBondContact SG-O 3.44Å |
| 712 | S | 68.2 | Low | 71.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.2 | 174.3 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | Q666 F667 I699 C701 | Q666-S712 CarbonylContact C-O 3.47Å; Q666-S712 WeakPolarHBondContact CA-O 3.43Å; F667-S712 PolarHBondContact N-O 3.4Å; F667-S712 PolarHBondContact O-N 3.32Å; I699-S712 WeakPolarHBondContact O-CA 3.24Å; I699-S712 VanDerWaalsContact O-CB 3.31Å; I699-S712 WeakPolarHBondContact O-CB 3.36Å; C701-S712 PolarHBondContact SG-N 3.49Å; C701-S712 VanDerWaalsContact SG-N 3.4Å |
| 713 | L | 65.5 | Low | 72 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.5 | -171.1 | -77.1 | 159.1 | 0 | 0 | 0 | 110.9 | L622 M625 F628 V664 Q666 I699 | L622-L713 HydrophobicContact CD2-CD1 3.97Å; L622-L713 HydrophobicContact CD2-CD2 3.63Å; L622-L713 HydrophobicContact CD2-CG 4.47Å; M625-L713 HydrophobicContact CE-CD1 3.49Å; M625-L713 VanDerWaalsContact CE-CD1 3.49Å; M625-L713 HydrophobicContact SD-CD1 3.21Å; M625-L713 WeakPolarHBondContact SD-CD1 3.41Å; F628-L713 HydrophobicContact CE2-CB 3.99Å; F628-L713 HydrophobicContact CZ-CB 3.77Å; V664-L713 HydrophobicContact CG1-CD2 3.67Å; Q666-L713 HydrophobicContact CB-CD2 3.49Å; Q666-L713 VanDerWaalsContact CB-CD2 3.49Å; Q666-L713 HydrophobicContact CB-CG 4.49Å; Q666-L713 HydrophobicContact CG-CD2 3.72Å; Q666-L713 HydrophobicContact CG-CG 4.34Å; I699-L713 HydrophobicContact CB-CB 4.43Å; I699-L713 PolarHBondContact N-O 2.92Å; I699-L713 PolarHBondContact O-N 3.28Å |
| 714 | F | 68.3 | Low | 72.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.9 | -176.8 | -65.2 | -100.8 | 0 | 0 | 0 | 110.7 | V664 F665 F667 V683 M685 E698 L716 | V664-F714 CarbonylContact C-O 3.56Å; V664-F714 VanDerWaalsContact CA-O 3.31Å; V664-F714 WeakPolarHBondContact CA-O 3.22Å; F665-F714 HydrophobicContact CB-CB 4.34Å; F665-F714 PolarHBondContact N-O 3.45Å; F665-F714 PolarHBondContact O-N 2.86Å; F667-F714 AromaticContact CD2-CD2 3.43Å; F667-F714 HydrophobicContact CD2-CD2 3.43Å; F667-F714 VanDerWaalsContact CD2-CD2 3.43Å; F667-F714 AromaticContact CD2-CE2 3.7Å; F667-F714 HydrophobicContact CD2-CE2 3.7Å; F667-F714 HydrophobicContact CD2-CG 4.45Å; F667-F714 HydrophobicContact CE2-CB 4.5Å; F667-F714 AromaticContact CE2-CD2 3.54Å; F667-F714 HydrophobicContact CE2-CD2 3.54Å; F667-F714 HydrophobicContact CE2-CE2 4.05Å; F667-F714 HydrophobicContact CE2-CG 4.17Å; V683-F714 HydrophobicContact CB-CE2 3.87Å; V683-F714 HydrophobicContact CB-CZ 3.88Å; V683-F714 WeakPolarHBondContact O-CE1 3.36Å; V683-F714 WeakPolarHBondContact O-CZ 3.15Å; M685-F714 HydrophobicContact SD-CB 4.22Å; M685-F714 HydrophobicContact SD-CG 4.34Å; E698-F714 HydrophobicContact CB-CD1 4.14Å; E698-F714 HydrophobicContact CB-CE1 4.14Å; E698-F714 HydrophobicContact CG-CD1 3.79Å; E698-F714 HydrophobicContact CG-CE1 3.3Å; E698-F714 HydrophobicContact CG-CZ 3.8Å; E698-F714 WeakPolarHBondContact OE1-CE1 3.45Å; E698-F714 WeakPolarHBondContact OE1-CZ 3.48Å; F714-L716 HydrophobicContact CB-CD1 4.39Å |
| 715 | L | 65.9 | Low | 72.6 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 105.4 | 173.9 | -173.6 | 64.4 | 0 | 0 | 0 | 110.3 | F628 L631 Y662 V664 P695 V696 A697 | F628-L715 HydrophobicContact CE1-CB 3.93Å; L631-L715 HydrophobicContact CD1-CD1 3.58Å; L631-L715 HydrophobicContact CD1-CD2 4.24Å; L631-L715 HydrophobicContact CD2-CD1 3.91Å; L631-L715 HydrophobicContact CD2-CD2 3.7Å; L631-L715 HydrophobicContact CD2-CG 4.5Å; L631-L715 HydrophobicContact CG-CD1 4.43Å; Y662-L715 HydrophobicContact CD1-CD1 4.26Å; Y662-L715 HydrophobicContact CD1-CD2 4.35Å; Y662-L715 HydrophobicContact CD1-CG 4.36Å; Y662-L715 HydrophobicContact CG-CD1 4.12Å; V664-L715 HydrophobicContact CG2-CD1 3.62Å; P695-L715 VanDerWaalsContact CA-O 3.28Å; P695-L715 WeakPolarHBondContact CA-O 3.43Å; V696-L715 HydrophobicContact CB-CD2 3.86Å; V696-L715 HydrophobicContact CB-CG 4.37Å; V696-L715 HydrophobicContact CG1-CD2 4.2Å; V696-L715 PolarHBondContact N-O 3.43Å; V696-L715 VanDerWaalsContact N-O 3.16Å; A697-L715 HydrophobicContact CB-CB 4.49Å; A697-L715 PolarHBondContact O-N 3.1Å |
| 716 | L | 65.6 | Low | 73 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.2 | -177.9 | -86.3 | 157.1 | 0 | 0 | 0 | 111.5 | V663 F665 M685 P695 F714 A718 F721 | V663-L716 CarbonylContact C-O 3.58Å; V663-L716 WeakPolarHBondContact CA-O 3.4Å; V663-L716 VanDerWaalsContact CB-O 3.25Å; V663-L716 WeakPolarHBondContact CB-O 3.43Å; V663-L716 PolarHBondContact N-O 3.27Å; V663-L716 CarbonylContact O-C 3.57Å; V663-L716 PolarHBondContact O-N 2.9Å; F665-L716 HydrophobicContact CD2-CB 3.87Å; F665-L716 HydrophobicContact CD2-CD1 4.42Å; F665-L716 HydrophobicContact CE2-CB 3.66Å; M685-L716 HydrophobicContact CB-CD1 3.78Å; M685-L716 HydrophobicContact CE-CD1 4.04Å; M685-L716 HydrophobicContact CG-CD1 4.12Å; M685-L716 HydrophobicContact SD-CD1 3.34Å; M685-L716 WeakPolarHBondContact SD-CD1 3.45Å; P695-L716 HydrophobicContact CB-CD2 4.1Å; P695-L716 HydrophobicContact CB-CG 4Å; P695-L716 HydrophobicContact CG-CD1 4.22Å; P695-L716 HydrophobicContact CG-CD2 3.82Å; P695-L716 HydrophobicContact CG-CG 4.02Å; F714-L716 HydrophobicContact CB-CD1 4.39Å; L716-A718 PolarHBondContact O-N 3Å; L716-F721 HydrophobicContact CB-CE1 4.46Å; L716-F721 HydrophobicContact CB-CZ 4Å; L716-F721 HydrophobicContact CD1-CD1 4.47Å; L716-F721 HydrophobicContact CD1-CE1 4.19Å; L716-F721 HydrophobicContact CD1-CZ 4.4Å; L716-F721 HydrophobicContact CD2-CE1 3.91Å; L716-F721 HydrophobicContact CD2-CZ 4.22Å; L716-F721 HydrophobicContact CG-CE1 4.43Å; L716-F721 HydrophobicContact CG-CZ 4.45Å |
| 717 | V | 56.7 | Low | 73.8 | Confident | 50 Ų | 50 | 27.4 Ų | 27.4 | 30% | 0.303 | 17% | 0.167 | S | C | . | . | trans | -98.9 | 87.9 | -179.2 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | Y662 W692 | Y662-V717 HydrophobicContact CD1-CG2 3.94Å; W692-V717 WeakPolarHBondContact CZ3-O 3.31Å | ||
| 718 | A | 56.3 | Low | 74.4 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 76 | 53.9 | 141.4 | 0 | 0 | 0 | 0 | 0 | 125.9 | V663 W692 L716 | V663-A718 HydrophobicContact CG2-CB 4.43Å; W692-A718 HydrophobicContact CH2-CB 4.48Å; W692-A718 WeakPolarHBondContact CH2-O 3.24Å; W692-A718 HydrophobicContact CZ3-CB 3.88Å; W692-A718 WeakPolarHBondContact CZ3-O 3.36Å; L716-A718 PolarHBondContact O-N 3Å |
| 719 | S | 59.5 | Low | 75.2 | Confident | 13 Ų | 13 | 22 Ų | 22 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -144.4 | -168.9 | 156.6 | 77.9 | 0 | 0 | 0 | 0 | 115.3 | W692 F721 | W692-S719 VanDerWaalsContact CE2-OG 3.28Å; W692-S719 PolarHBondContact NE1-OG 2.85Å; S719-F721 WeakPolarHBondContact O-CD2 3.39Å; S719-F721 WeakPolarHBondContact O-CE2 3.35Å |
| 720 | S | 67 | Low | 75.9 | Confident | 36 Ų | 36 | 19.6 Ų | 19.6 | 25% | 0.252 | 11% | 0.112 | S | C | . | . | trans | -66.8 | 134.4 | 161.3 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | L688 V749 | L688-S720 PolarHBondContact N-O 3.43Å; S720-V749 CarbonylContact C-O 3.57Å; S720-V749 WeakPolarHBondContact CA-O 3.49Å | ||
| 721 | F | 77.5 | Confident | 76 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138 | -179.4 | -60.1 | -86.9 | 0 | 0 | 0 | 109.7 | F665 M685 K686 P687 L716 S719 N748 V749 | F665-F721 HydrophobicContact CE1-CD2 4.45Å; F665-F721 HydrophobicContact CE1-CE2 4.48Å; F665-F721 HydrophobicContact CE2-CD2 4.34Å; F665-F721 AromaticContact CE2-CE2 3.77Å; F665-F721 HydrophobicContact CE2-CE2 3.77Å; F665-F721 HydrophobicContact CE2-CZ 4.45Å; F665-F721 AromaticContact CZ-CD2 3.92Å; F665-F721 HydrophobicContact CZ-CD2 3.92Å; F665-F721 AromaticContact CZ-CE2 3.54Å; F665-F721 HydrophobicContact CZ-CE2 3.54Å; M685-F721 HydrophobicContact CB-CB 4.35Å; M685-F721 HydrophobicContact CB-CD1 4.38Å; M685-F721 HydrophobicContact CE-CB 3.48Å; M685-F721 VanDerWaalsContact CE-CB 3.48Å; M685-F721 HydrophobicContact CE-CD1 4.22Å; M685-F721 HydrophobicContact CE-CD2 3.49Å; M685-F721 VanDerWaalsContact CE-CD2 3.49Å; M685-F721 HydrophobicContact CE-CE2 4.27Å; M685-F721 HydrophobicContact CE-CG 3.48Å; M685-F721 VanDerWaalsContact CE-CG 3.48Å; K686-F721 CarbonylContact O-C 3.55Å; K686-F721 WeakPolarHBondContact O-CA 3.49Å; P687-F721 HydrophobicContact CB-CD1 4Å; P687-F721 HydrophobicContact CB-CE1 3.91Å; L716-F721 HydrophobicContact CB-CE1 4.46Å; L716-F721 HydrophobicContact CB-CZ 4Å; L716-F721 HydrophobicContact CD1-CD1 4.47Å; L716-F721 HydrophobicContact CD1-CE1 4.19Å; L716-F721 HydrophobicContact CD1-CZ 4.4Å; L716-F721 HydrophobicContact CD2-CE1 3.91Å; L716-F721 HydrophobicContact CD2-CZ 4.22Å; L716-F721 HydrophobicContact CG-CE1 4.43Å; L716-F721 HydrophobicContact CG-CZ 4.45Å; S719-F721 WeakPolarHBondContact O-CD2 3.39Å; S719-F721 WeakPolarHBondContact O-CE2 3.35Å; F721-N748 CarbonylContact O-C 3.58Å; F721-N748 VanDerWaalsContact O-CA 3.25Å; F721-N748 WeakPolarHBondContact O-CA 3.2Å; F721-V749 PolarHBondContact N-O 3.19Å; F721-V749 PolarHBondContact O-N 2.78Å |
| 722 | S | 83.4 | Confident | 75.5 | Confident | 33 Ų | 33 | 22.1 Ų | 22.1 | 23% | 0.231 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.6 | 161.8 | 72.3 | 0 | 0 | 0 | 0 | 108.9 | M685 K686 N748 | M685-S722 WeakPolarHBondContact CA-O 3.13Å; K686-S722 PolarHBondContact N-O 3.1Å; K686-S722 PolarHBondContact O-N 3.3Å; S722-N748 VanDerWaalsContact CA-OD1 3.25Å; S722-N748 WeakPolarHBondContact CA-OD1 3.35Å; S722-N748 WeakPolarHBondContact CB-OD1 3.24Å |
| 723 | C | 86.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.4 | -174.9 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | V683 S684 L746 | V683-C723 HydrophobicContact CG1-CB 3.89Å; S684-C723 WeakPolarHBondContact O-CA 3.37Å; C723-L746 HydrophobicContact CB-CB 3.85Å; C723-L746 HydrophobicContact CB-CD1 4.04Å; C723-L746 HydrophobicContact CB-CG 4.49Å; C723-L746 WeakPolarHBondContact O-CB 3.35Å; C723-L746 PolarHBondContact O-N 3.01Å |
| 724 | V | 89.2 | Confident | 74.8 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.3 | 174.3 | -179 | 0 | 0 | 0 | 0 | 107.9 | V683 S684 N726 K743 F744 E745 | V683-V724 CarbonylContact C-O 3.54Å; V683-V724 WeakPolarHBondContact CA-O 3.43Å; S684-V724 PolarHBondContact N-O 3.43Å; S684-V724 PolarHBondContact O-N 3.21Å; V724-N726 PolarHBondContact O-ND2 3.43Å; V724-K743 HydrophobicContact CG1-CB 4.18Å; V724-F744 CarbonylContact C-O 3.6Å; V724-F744 WeakPolarHBondContact CA-O 3.31Å; V724-E745 HydrophobicContact CG2-CG 4.5Å |
| 725 | L | 89.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 126.1 | 171.1 | -175.8 | 74.7 | 0 | 0 | 0 | 108.6 | I650 V652 V681 V683 Y727 K743 F744 L746 | I650-L725 HydrophobicContact CD1-CD2 4.46Å; I650-L725 HydrophobicContact CG2-CD2 3.81Å; V652-L725 HydrophobicContact CG2-CD1 4.23Å; V652-L725 HydrophobicContact CG2-CD2 3.94Å; V681-L725 HydrophobicContact CG1-CD1 3.66Å; V681-L725 HydrophobicContact CG1-CG 4.5Å; V683-L725 HydrophobicContact CG2-CD1 3.65Å; L725-Y727 HydrophobicContact CD2-CD1 3.71Å; L725-Y727 HydrophobicContact CD2-CE1 3.84Å; L725-Y727 HydrophobicContact CG-CD1 3.86Å; L725-Y727 HydrophobicContact CG-CE1 4.31Å; L725-K743 CarbonylContact O-C 3.59Å; L725-K743 VanDerWaalsContact O-CA 3.3Å; L725-K743 WeakPolarHBondContact O-CA 3.13Å; L725-F744 HydrophobicContact CB-CB 4.31Å; L725-F744 PolarHBondContact N-O 2.86Å; L725-F744 PolarHBondContact O-N 3.16Å; L725-L746 HydrophobicContact CB-CD1 4.13Å; L725-L746 HydrophobicContact CB-CD2 4.4Å; L725-L746 HydrophobicContact CB-CG 4.22Å |
| 726 | N | 90.8 | Very high | 74.1 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.7 | 170.9 | -50.6 | -97.3 | 0 | 0 | 0 | 108.1 | V681 H682 S684 V724 K743 | V681-N726 WeakPolarHBondContact CA-O 3.43Å; H682-N726 WeakPolarHBondContact CE1-CB 3.14Å; H682-N726 PolarHBondContact N-O 2.57Å; H682-N726 PolarHBondContact NE2-ND2 3.42Å; H682-N726 PolarHBondContact O-N 2.87Å; H682-N726 PolarHBondContact O-ND2 2.66Å; S684-N726 PolarHBondContact OG-ND2 2.95Å; V724-N726 PolarHBondContact O-ND2 3.43Å; N726-K743 WeakPolarHBondContact OD1-CD 3.32Å; N726-K743 WeakPolarHBondContact OD1-CE 3.39Å; N726-K743 WeakPolarHBondContact OD1-CG 3.28Å |
| 727 | Y | 89.7 | Confident | 74 | Confident | 19 Ų | 19 | 46 Ų | 46 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 163.3 | 178 | 54.2 | -87.7 | 0 | 0 | 0 | 110.6 | I650 L678 L725 L729 E741 D742 F744 | I650-Y727 HydrophobicContact CD1-CD1 4.14Å; I650-Y727 HydrophobicContact CD1-CD2 4.28Å; I650-Y727 HydrophobicContact CD1-CE1 3.67Å; I650-Y727 HydrophobicContact CD1-CE2 3.84Å; I650-Y727 HydrophobicContact CD1-CG 4.43Å; L678-Y727 HydrophobicContact CD2-CD2 3.73Å; L678-Y727 HydrophobicContact CD2-CE2 4.15Å; L678-Y727 HydrophobicContact CD2-CG 4.31Å; L725-Y727 HydrophobicContact CD2-CD1 3.71Å; L725-Y727 HydrophobicContact CD2-CE1 3.84Å; L725-Y727 HydrophobicContact CG-CD1 3.86Å; L725-Y727 HydrophobicContact CG-CE1 4.31Å; Y727-L729 HydrophobicContact CD2-CB 4.17Å; Y727-L729 HydrophobicContact CD2-CD1 4.46Å; Y727-L729 HydrophobicContact CE2-CB 4.18Å; Y727-L729 HydrophobicContact CE2-CD1 3.92Å; Y727-E741 WeakPolarHBondContact O-CA 3.4Å; Y727-D742 HydrophobicContact CD2-CB 4.3Å; Y727-D742 HydrophobicContact CE2-CB 3.65Å; Y727-D742 PolarHBondContact N-O 3.02Å; Y727-D742 VanDerWaalsContact N-O 3.09Å; Y727-D742 PolarHBondContact O-N 3.03Å; Y727-D742 PolarHBondContact OH-OD2 3.39Å; Y727-F744 HydrophobicContact CE1-CB 4.22Å |
| 728 | T | 88.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.3 | 169.6 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | D679 Y740 | D679-T728 PolarHBondContact N-O 3.49Å; D679-T728 PolarHBondContact O-N 3.04Å; T728-Y740 CarbonylContact C-O 3.51Å; T728-Y740 WeakPolarHBondContact CA-O 3.36Å |
| 729 | L | 86.8 | Confident | 75.9 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.5 | -176.9 | -162.6 | 141.9 | 0 | 0 | 0 | 110.6 | L673 Q676 L678 Y727 G739 Y740 | L673-L729 HydrophobicContact CD1-CD1 4.3Å; Q676-L729 HydrophobicContact CB-CD2 3.93Å; Q676-L729 HydrophobicContact CB-CG 4.32Å; Q676-L729 VanDerWaalsContact CD-CD2 3.41Å; Q676-L729 HydrophobicContact CG-CD2 3.83Å; L678-L729 HydrophobicContact CD2-CD1 3.85Å; L678-L729 HydrophobicContact CD2-CG 4.19Å; Y727-L729 HydrophobicContact CD2-CB 4.17Å; Y727-L729 HydrophobicContact CD2-CD1 4.46Å; Y727-L729 HydrophobicContact CE2-CB 4.18Å; Y727-L729 HydrophobicContact CE2-CD1 3.92Å; L729-G739 CarbonylContact O-C 3.58Å; L729-G739 WeakPolarHBondContact O-CA 3.25Å; L729-Y740 HydrophobicContact CB-CD1 4.35Å; L729-Y740 HydrophobicContact CB-CD2 4.24Å; L729-Y740 HydrophobicContact CB-CE1 3.91Å; L729-Y740 HydrophobicContact CB-CE2 3.77Å; L729-Y740 HydrophobicContact CD2-CD1 4.46Å; L729-Y740 HydrophobicContact CD2-CE1 3.45Å; L729-Y740 VanDerWaalsContact CD2-CE1 3.45Å; L729-Y740 HydrophobicContact CD2-CE2 4.44Å; L729-Y740 VanDerWaalsContact CD2-CZ 3.44Å; L729-Y740 WeakPolarHBondContact CD2-OH 3.43Å; L729-Y740 HydrophobicContact CG-CE1 4.23Å; L729-Y740 HydrophobicContact CG-CE2 4.46Å; L729-Y740 PolarHBondContact N-O 3.27Å; L729-Y740 PolarHBondContact O-N 3.32Å |
| 730 | K | 84.8 | Confident | 77.1 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.8 | 178.5 | -76.4 | 179.3 | 171.5 | 172.2 | 0 | 110.4 | Q676 I677 D679 D735 | Q676-K730 WeakPolarHBondContact CA-O 3.44Å; I677-K730 PolarHBondContact N-O 3.03Å; I677-K730 PolarHBondContact O-N 3.27Å; D679-K730 WeakPolarHBondContact OD2-CD 3.28Å; D679-K730 VanDerWaalsContact OD2-CE 3.27Å; D679-K730 WeakPolarHBondContact OD2-CE 3.4Å; D679-K730 IonicContact OD2-NZ 2.69Å; D679-K730 PolarHBondContact OD2-NZ 3.39Å; K730-D735 IonicContact NZ-OD1 3.83Å; K730-D735 PolarHBondContact NZ-OD1 3.13Å; K730-D735 VanDerWaalsContact NZ-OD1 3.11Å |
| 731 | E | 80.1 | Confident | 78.2 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 62% | 0.621 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.4 | 173.4 | -67.6 | -174.9 | 169 | 0 | 0 | 110.7 | S737 | E731-S737 WeakPolarHBondContact O-CB 3.45Å; E731-S737 PolarHBondContact O-OG 3.34Å |
| 732 | G | 65.8 | Low | 78.8 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 86.2 | 153.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D675 N734 | D675-G732 PolarHBondContact O-N 2.97Å; G732-N734 PolarHBondContact O-N 3.47Å |
| 733 | E | 60.1 | Low | 79.1 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -73.8 | -11.6 | -179 | -68.1 | 178 | 169.7 | 0 | 0 | 113.9 | ||
| 734 | N | 59.2 | Low | 79.1 | Confident | 127 Ų | 127 | 76 Ų | 76 | 68% | 0.679 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -93.5 | 132 | -179.7 | -66.4 | -41.3 | 0 | 0 | 0 | 110.2 | G732 S736 | G732-N734 PolarHBondContact O-N 3.47Å; N734-S736 PolarHBondContact O-N 3.02Å |
| 735 | D | 59.1 | Low | 79.2 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 11.7 | -179.1 | -114.9 | -34.2 | 0 | 0 | 0 | 115.6 | R703 K730 | R703-D735 IonicContact CZ-OD1 2.73Å; R703-D735 IonicContact CZ-OD2 3.65Å; R703-D735 IonicContact NH1-OD1 3.82Å; R703-D735 IonicContact NH1-OD2 2.74Å; R703-D735 PolarHBondContact NH1-OD2 3.34Å; R703-D735 IonicContact NH2-OD1 2.67Å; R703-D735 PolarHBondContact NH2-OD1 3Å; R703-D735 IonicContact NH2-OD2 3.18Å; R703-D735 PolarHBondContact NH2-OD2 3.46Å; K730-D735 IonicContact NZ-OD1 3.83Å; K730-D735 PolarHBondContact NZ-OD1 3.13Å; K730-D735 VanDerWaalsContact NZ-OD1 3.11Å |
| 736 | S | 59.9 | Low | 79.2 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.1 | -173.1 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | N734 | N734-S736 PolarHBondContact O-N 3.02Š|
| 737 | S | 64 | Low | 79.1 | Confident | 34 Ų | 34 | 87.5 Ų | 87.5 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -92.9 | 132.5 | 176.9 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | E731 G739 | E731-S737 WeakPolarHBondContact O-CB 3.45Å; E731-S737 PolarHBondContact O-OG 3.34Å; S737-G739 PolarHBondContact O-N 3.25Å |
| 738 | E | 74.2 | Confident | 78.9 | Confident | 201 Ų | 201 | 90.9 Ų | 90.9 | 94% | 0.939 | 46% | 0.464 | S | S | * | . | trans | -67.2 | 114 | 163.6 | -76.3 | -172.3 | 165 | 0 | 0 | 107.6 | ||||
| 739 | G | 77 | Confident | 78.7 | Confident | 29 Ų | 29 | 90.2 Ų | 90.2 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | trans | -77.9 | 164.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L729 S737 | L729-G739 CarbonylContact O-C 3.58Å; L729-G739 WeakPolarHBondContact O-CA 3.25Å; S737-G739 PolarHBondContact O-N 3.25Å | ||
| 740 | Y | 85.9 | Confident | 78.5 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.7 | 174.1 | 60.3 | -90.7 | 0 | 0 | 0 | 110.8 | T728 L729 D742 | T728-Y740 CarbonylContact C-O 3.51Å; T728-Y740 WeakPolarHBondContact CA-O 3.36Å; L729-Y740 HydrophobicContact CB-CD1 4.35Å; L729-Y740 HydrophobicContact CB-CD2 4.24Å; L729-Y740 HydrophobicContact CB-CE1 3.91Å; L729-Y740 HydrophobicContact CB-CE2 3.77Å; L729-Y740 HydrophobicContact CD2-CD1 4.46Å; L729-Y740 HydrophobicContact CD2-CE1 3.45Å; L729-Y740 VanDerWaalsContact CD2-CE1 3.45Å; L729-Y740 HydrophobicContact CD2-CE2 4.44Å; L729-Y740 VanDerWaalsContact CD2-CZ 3.44Å; L729-Y740 WeakPolarHBondContact CD2-OH 3.43Å; L729-Y740 HydrophobicContact CG-CE1 4.23Å; L729-Y740 HydrophobicContact CG-CE2 4.46Å; L729-Y740 PolarHBondContact N-O 3.27Å; L729-Y740 PolarHBondContact O-N 3.32Å; Y740-D742 HydrophobicContact CD2-CB 4.21Å; Y740-D742 HydrophobicContact CE2-CB 4.2Å |
| 741 | E | 89 | Confident | 78.3 | Confident | 165 Ų | 165 | 95.6 Ų | 95.6 | 77% | 0.771 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133 | 172 | -71.7 | -175.8 | 176.5 | 0 | 0 | 110.2 | Y727 | Y727-E741 WeakPolarHBondContact O-CA 3.4Å |
| 742 | D | 90 | Very high | 78.4 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.5 | 177.6 | -163.5 | 13.3 | 0 | 0 | 0 | 111 | Y727 Y740 | Y727-D742 HydrophobicContact CD2-CB 4.3Å; Y727-D742 HydrophobicContact CE2-CB 3.65Å; Y727-D742 PolarHBondContact N-O 3.02Å; Y727-D742 VanDerWaalsContact N-O 3.09Å; Y727-D742 PolarHBondContact O-N 3.03Å; Y727-D742 PolarHBondContact OH-OD2 3.39Å; Y740-D742 HydrophobicContact CD2-CB 4.21Å; Y740-D742 HydrophobicContact CE2-CB 4.2Å |
| 743 | K | 90 | Very high | 79.4 | Confident | 139 Ų | 139 | 89.2 Ų | 89.2 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.2 | -176.1 | -58.2 | -172.5 | 180 | -165.7 | 0 | 110.7 | V724 L725 N726 | V724-K743 HydrophobicContact CG1-CB 4.18Å; L725-K743 CarbonylContact O-C 3.59Å; L725-K743 VanDerWaalsContact O-CA 3.3Å; L725-K743 WeakPolarHBondContact O-CA 3.13Å; N726-K743 WeakPolarHBondContact OD1-CD 3.32Å; N726-K743 WeakPolarHBondContact OD1-CE 3.39Å; N726-K743 WeakPolarHBondContact OD1-CG 3.28Å |
| 744 | F | 87.6 | Confident | 80.6 | Confident | 66 Ų | 66 | 84.2 Ų | 84.2 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.2 | 179.8 | -169 | -94.5 | 0 | 0 | 0 | 110.9 | T644 M648 V724 L725 Y727 L746 | T644-F744 HydrophobicContact CG2-CD1 4.39Å; T644-F744 HydrophobicContact CG2-CE1 3.97Å; M648-F744 HydrophobicContact CE-CD2 4.18Å; M648-F744 HydrophobicContact CE-CE1 4.38Å; M648-F744 HydrophobicContact CE-CE2 3.29Å; M648-F744 HydrophobicContact CE-CZ 3.42Å; M648-F744 VanDerWaalsContact CE-CZ 3.42Å; M648-F744 HydrophobicContact CG-CZ 4.44Å; M648-F744 HydrophobicContact SD-CE2 4.48Å; M648-F744 HydrophobicContact SD-CZ 4.2Å; V724-F744 CarbonylContact C-O 3.6Å; V724-F744 WeakPolarHBondContact CA-O 3.31Å; L725-F744 HydrophobicContact CB-CB 4.31Å; L725-F744 PolarHBondContact N-O 2.86Å; L725-F744 PolarHBondContact O-N 3.16Å; Y727-F744 HydrophobicContact CE1-CB 4.22Å; F744-L746 HydrophobicContact CD1-CD2 3.86Å; F744-L746 HydrophobicContact CE1-CD2 4.24Å |
| 745 | E | 90.1 | Very high | 81.9 | Confident | 164 Ų | 164 | 79.5 Ų | 79.5 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.4 | 176.2 | -66.9 | -173.4 | 166 | 0 | 0 | 110.1 | V724 | V724-E745 HydrophobicContact CG2-CG 4.5Å |
| 746 | L | 89.9 | Confident | 83.3 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 159.3 | 178.8 | -61.4 | 176.5 | 0 | 0 | 0 | 110.6 | L643 T644 V652 V683 C723 L725 F744 | L643-L746 HydrophobicContact CB-CB 4.13Å; L643-L746 HydrophobicContact CB-CD2 4.4Å; L643-L746 HydrophobicContact CD1-CB 4.48Å; L643-L746 HydrophobicContact CD1-CD1 4.32Å; T644-L746 HydrophobicContact CG2-CD2 3.39Å; V652-L746 HydrophobicContact CB-CD1 4.27Å; V652-L746 HydrophobicContact CB-CD2 3.94Å; V652-L746 HydrophobicContact CG1-CD1 3.91Å; V652-L746 HydrophobicContact CG1-CD2 4.48Å; V652-L746 HydrophobicContact CG2-CD1 4.45Å; V652-L746 HydrophobicContact CG2-CD2 3.94Å; V683-L746 HydrophobicContact CG1-CD1 3.88Å; V683-L746 HydrophobicContact CG2-CD1 4.2Å; C723-L746 HydrophobicContact CB-CB 3.85Å; C723-L746 HydrophobicContact CB-CD1 4.04Å; C723-L746 HydrophobicContact CB-CG 4.49Å; C723-L746 WeakPolarHBondContact O-CB 3.35Å; C723-L746 PolarHBondContact O-N 3.01Å; L725-L746 HydrophobicContact CB-CD1 4.13Å; L725-L746 HydrophobicContact CB-CD2 4.4Å; L725-L746 HydrophobicContact CB-CG 4.22Å; F744-L746 HydrophobicContact CD1-CD2 3.86Å; F744-L746 HydrophobicContact CE1-CD2 4.24Å |
| 747 | E | 88.6 | Confident | 84.7 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 147.6 | 170.5 | -67.1 | -166.4 | 165.3 | 0 | 0 | 111.7 | L643 V749 | L643-E747 HydrophobicContact CD2-CB 4.43Å; L643-E747 PolarHBondContact O-N 3.2Å; L643-E747 VanDerWaalsContact O-N 3.07Å; E747-V749 PolarHBondContact O-N 2.72Å |
| 748 | N | 86 | Confident | 85.9 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.1 | 179.7 | -66.2 | -28.5 | 0 | 0 | 0 | 110.6 | L688 F721 S722 | L688-N748 HydrophobicContact CD1-CB 4.31Å; F721-N748 CarbonylContact O-C 3.58Å; F721-N748 VanDerWaalsContact O-CA 3.25Å; F721-N748 WeakPolarHBondContact O-CA 3.2Å; S722-N748 VanDerWaalsContact CA-OD1 3.25Å; S722-N748 WeakPolarHBondContact CA-OD1 3.35Å; S722-N748 WeakPolarHBondContact CB-OD1 3.24Å |
| 749 | V | 85.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.5 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L643 C654 Q656 F665 F667 S720 F721 E747 | L643-V749 HydrophobicContact CD1-CG2 3.49Å; L643-V749 VanDerWaalsContact CD1-CG2 3.49Å; L643-V749 HydrophobicContact CD2-CG2 3.73Å; L643-V749 HydrophobicContact CG-CG2 4.26Å; C654-V749 HydrophobicContact CB-CG2 4.24Å; Q656-V749 VanDerWaalsContact NE2-CG1 3.33Å; F665-V749 HydrophobicContact CD1-CG1 3.87Å; F665-V749 HydrophobicContact CE1-CG1 3.62Å; F667-V749 HydrophobicContact CE1-CG2 4.19Å; S720-V749 CarbonylContact C-O 3.57Å; S720-V749 WeakPolarHBondContact CA-O 3.49Å; F721-V749 PolarHBondContact N-O 3.19Å; F721-V749 PolarHBondContact O-N 2.78Å; E747-V749 PolarHBondContact O-N 2.72Å |
| 750 | E | 81.9 | Confident | 87.2 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | trans | -110.2 | 137.2 | 175.2 | -54.1 | -162.3 | 151.4 | 0 | 0 | 111.9 | Q656 G752 | Q656-E750 PolarHBondContact NE2-O 2.75Å; E750-G752 PolarHBondContact O-N 3Å | ||
| 751 | V | 81.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | trans | -90.6 | 94.2 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | M658 F665 Q756 | M658-V751 HydrophobicContact CE-CG1 3.67Å; M658-V751 HydrophobicContact SD-CG1 4.21Å; F665-V751 HydrophobicContact CE1-CG2 3.84Å; F665-V751 HydrophobicContact CZ-CG2 3.45Å; F665-V751 VanDerWaalsContact CZ-CG2 3.45Å; V751-Q756 HydrophobicContact CG1-CG 4.15Å | ||
| 752 | G | 81.2 | Confident | 86.9 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | trans | -65.6 | 150.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E750 C754 N755 | E750-G752 PolarHBondContact O-N 3Å; G752-C754 PolarHBondContact O-N 3.2Å; G752-N755 PolarHBondContact O-N 3Å | ||
| 753 | L | 86.2 | Confident | 86.4 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -60.6 | -36.9 | 176 | -174.9 | 66.1 | 0 | 0 | 0 | 111.6 | N755 Q756 M757 L801 Y827 V863 V864 A867 | L753-N755 PolarHBondContact O-N 3.42Å; L753-Q756 WeakPolarHBondContact O-CA 3.44Å; L753-Q756 PolarHBondContact O-N 3.39Å; L753-M757 HydrophobicContact CD1-CE 3.58Å; L753-M757 HydrophobicContact CD2-CE 4.25Å; L753-M757 HydrophobicContact CG-CE 3.96Å; L753-M757 HydrophobicContact CG-CG 4.24Å; L753-M757 WeakPolarHBondContact O-CG 3.48Å; L753-M757 PolarHBondContact O-N 2.82Å; L753-L801 HydrophobicContact CD2-CD2 3.74Å; L753-Y827 HydrophobicContact CD1-CE2 4.21Å; L753-V863 HydrophobicContact CD1-CG1 3.8Å; L753-V864 HydrophobicContact CD2-CB 4.48Å; L753-V864 HydrophobicContact CD2-CG2 4.34Å; L753-A867 HydrophobicContact CB-CB 4.32Å; L753-A867 HydrophobicContact CD2-CB 3.63Å; L753-A867 HydrophobicContact CG-CB 4.49Å |
| 754 | C | 86.9 | Confident | 86.3 | Confident | 34 Ų | 34 | 67 Ų | 67 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -56.8 | -31.9 | 178.1 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | K636 G752 Q756 M757 E799 Y800 | K636-C754 PolarHBondContact NZ-O 3.48Å; G752-C754 PolarHBondContact O-N 3.2Å; C754-Q756 VanDerWaalsContact C-N 3.29Å; C754-M757 PolarHBondContact O-N 2.89Å; C754-E799 VanDerWaalsContact CB-O 3.24Å; C754-E799 WeakPolarHBondContact CB-O 3.41Å; C754-Y800 WeakPolarHBondContact CB-O 3.37Å; C754-Y800 PolarHBondContact N-O 3.14Å |
| 755 | N | 85.5 | Confident | 86.4 | Confident | 29 Ų | 29 | 64 Ų | 64 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -73.8 | -24.1 | 176.4 | -70.4 | -21.3 | 0 | 0 | 0 | 111.8 | K636 Q656 M658 G752 L753 | K636-N755 WeakPolarHBondContact CD-O 3.08Å; Q656-N755 PolarHBondContact OE1-ND2 3.19Å; M658-N755 HydrophobicContact CE-CB 3.72Å; M658-N755 HydrophobicContact CG-CB 4.46Å; M658-N755 VanDerWaalsContact CG-O 3.28Å; M658-N755 WeakPolarHBondContact CG-O 3.22Å; G752-N755 PolarHBondContact O-N 3Å; L753-N755 PolarHBondContact O-N 3.42Å |
| 756 | Q | 88.1 | Confident | 86.3 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -92.5 | 2.7 | 179.3 | -57 | 177.5 | 67 | 0 | 0 | 113.3 | F635 M658 V751 L753 C754 Y827 R828 | F635-Q756 WeakPolarHBondContact CE1-O 3.46Å; M658-Q756 HydrophobicContact SD-CG 4.01Å; V751-Q756 HydrophobicContact CG1-CG 4.15Å; L753-Q756 WeakPolarHBondContact O-CA 3.44Å; L753-Q756 PolarHBondContact O-N 3.39Å; C754-Q756 VanDerWaalsContact C-N 3.29Å; Q756-Y827 HydrophobicContact CB-CD2 4.02Å; Q756-Y827 HydrophobicContact CB-CE2 3.5Å; Q756-Y827 VanDerWaalsContact CB-CE2 3.5Å; Q756-Y827 HydrophobicContact CG-CE2 4.4Å; Q756-Y827 VanDerWaalsContact O-CD2 3.25Å; Q756-Y827 WeakPolarHBondContact O-CD2 3.36Å; Q756-Y827 PolarHBondContact OE1-OH 3.34Å; Q756-R828 PolarHBondContact O-N 3.37Å |
| 757 | M | 89.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.3 | -178.7 | -66.3 | -68.2 | 175.6 | 0 | 0 | 111.4 | K636 L753 C754 L801 L803 V826 Y827 V864 | K636-M757 WeakPolarHBondContact CD-O 3.33Å; K636-M757 PolarHBondContact NZ-O 3.48Å; L753-M757 HydrophobicContact CD1-CE 3.58Å; L753-M757 HydrophobicContact CD2-CE 4.25Å; L753-M757 HydrophobicContact CG-CE 3.96Å; L753-M757 HydrophobicContact CG-CG 4.24Å; L753-M757 WeakPolarHBondContact O-CG 3.48Å; L753-M757 PolarHBondContact O-N 2.82Å; C754-M757 PolarHBondContact O-N 2.89Å; M757-L801 WeakPolarHBondContact CB-O 3.41Å; M757-L801 WeakPolarHBondContact CG-O 3.27Å; M757-L803 HydrophobicContact CB-CD2 4.21Å; M757-L803 HydrophobicContact CG-CD2 4.19Å; M757-L803 HydrophobicContact SD-CD2 3.99Å; M757-V826 WeakPolarHBondContact CA-O 3.29Å; M757-Y827 HydrophobicContact CE-CD2 3.28Å; M757-Y827 HydrophobicContact CE-CE2 4Å; M757-Y827 HydrophobicContact CE-CG 3.99Å; M757-Y827 HydrophobicContact SD-CD2 3.72Å; M757-Y827 HydrophobicContact SD-CG 4.29Å; M757-V864 HydrophobicContact CE-CG2 3.39Å |
| 758 | L | 89.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123 | 165.7 | -79.7 | 173.5 | 0 | 0 | 0 | 109.7 | F635 K636 M760 G825 V826 | F635-L758 HydrophobicContact CD1-CD1 4.39Å; F635-L758 HydrophobicContact CD1-CG 4.3Å; F635-L758 HydrophobicContact CD2-CD1 3.93Å; F635-L758 HydrophobicContact CE1-CB 4.27Å; F635-L758 HydrophobicContact CE1-CD1 3.98Å; F635-L758 HydrophobicContact CE1-CG 3.65Å; F635-L758 HydrophobicContact CE2-CD1 3.48Å; F635-L758 VanDerWaalsContact CE2-CD1 3.48Å; F635-L758 HydrophobicContact CE2-CG 4.04Å; F635-L758 HydrophobicContact CG-CD1 4.37Å; F635-L758 HydrophobicContact CZ-CB 3.83Å; F635-L758 HydrophobicContact CZ-CD1 3.5Å; F635-L758 VanDerWaalsContact CZ-CD1 3.5Å; F635-L758 HydrophobicContact CZ-CG 3.49Å; F635-L758 VanDerWaalsContact CZ-CG 3.49Å; K636-L758 HydrophobicContact CB-CD2 4.37Å; K636-L758 HydrophobicContact CD-CD2 4.13Å; K636-L758 HydrophobicContact CG-CD2 4.47Å; L758-M760 PolarHBondContact O-N 3.04Å; L758-G825 CarbonylContact O-C 3.52Å; L758-G825 WeakPolarHBondContact O-CA 2.98Å; L758-V826 PolarHBondContact N-O 2.87Å; L758-V826 PolarHBondContact O-N 2.7Å |
| 759 | P | 89.6 | Confident | 86.3 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 51% | 0.506 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.9 | 179.5 | 27.6 | -33.7 | 0 | 0 | 0 | 110.6 | A804 | P759-A804 HydrophobicContact CB-CB 3.77Å |
| 760 | M | 88.6 | Confident | 86.4 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 28% | 0.281 | 31% | 0.313 | S | S | . | . | trans | -126.8 | 110 | -179.6 | -178.9 | -173.6 | -86.1 | 0 | 0 | 110 | L758 K762 A804 A824 V826 | L758-M760 PolarHBondContact O-N 3.04Å; M760-K762 HydrophobicContact SD-CD 4.5Å; M760-K762 WeakPolarHBondContact SD-CE 3.49Å; M760-A804 VanDerWaalsContact C-CB 3.46Å; M760-A824 PolarHBondContact N-O 2.96Å; M760-A824 VanDerWaalsContact N-O 3.1Å; M760-A824 CarbonylContact O-C 3.52Å; M760-A824 WeakPolarHBondContact O-CB 3.4Å; M760-V826 HydrophobicContact CE-CG2 3.21Å; M760-V826 HydrophobicContact SD-CG2 4.07Å | ||
| 761 | Q | 83.8 | Confident | 86.5 | Confident | 163 Ų | 163 | 54.8 Ų | 54.8 | 76% | 0.762 | 31% | 0.311 | S | S | * | . | trans | -73.3 | 130.9 | 175.5 | -76.4 | -173 | -2.3 | 0 | 0 | 111 | A804 | Q761-A804 HydrophobicContact CG-CB 3.86Š| ||
| 762 | K | 84.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -118.3 | 131.6 | 168.8 | -62.8 | -81.9 | -178.9 | 167.8 | 0 | 108.6 | M760 F768 A824 E832 | M760-K762 HydrophobicContact SD-CD 4.5Å; M760-K762 WeakPolarHBondContact SD-CE 3.49Å; K762-F768 HydrophobicContact CB-CB 4.43Å; K762-F768 HydrophobicContact CB-CD1 4.5Å; K762-F768 HydrophobicContact CB-CG 4.49Å; K762-F768 HydrophobicContact CD-CB 4.37Å; K762-F768 HydrophobicContact CD-CD1 4.43Å; K762-F768 HydrophobicContact CD-CD2 3.9Å; K762-F768 HydrophobicContact CD-CE2 4.25Å; K762-F768 HydrophobicContact CD-CG 3.98Å; K762-F768 VanDerWaalsContact CE-CE2 3.42Å; K762-F768 HydrophobicContact CG-CB 4.26Å; K762-F768 HydrophobicContact CG-CD1 3.85Å; K762-F768 HydrophobicContact CG-CD2 4.23Å; K762-F768 HydrophobicContact CG-CE1 4.18Å; K762-F768 HydrophobicContact CG-CG 3.85Å; K762-A824 HydrophobicContact CG-CB 4.33Å; K762-E832 IonicContact NZ-OE1 3.78Å; K762-E832 PolarHBondContact NZ-OE1 2.91Å | ||
| 763 | L | 81.1 | Confident | 85.6 | Confident | 177 Ų | 177 | 55.5 Ų | 55.5 | 93% | 0.927 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -72.8 | -36.7 | -179.3 | -76.9 | 165.3 | 0 | 0 | 0 | 112.4 | ||
| 764 | D | 87.1 | Confident | 84.2 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | trans | -117.4 | 98.1 | 175.6 | 176.7 | 4.8 | 0 | 0 | 0 | 107.8 | A766 S767 F768 | D764-A766 VanDerWaalsContact C-N 3.3Å; D764-A766 PolarHBondContact OD1-N 3.02Å; D764-A766 VanDerWaalsContact OD1-N 3.17Å; D764-S767 PolarHBondContact O-OG 3.22Å; D764-S767 PolarHBondContact OD1-N 3.11Å; D764-S767 VanDerWaalsContact OD1-N 3.16Å; D764-S767 WeakPolarHBondContact OD2-CB 3.49Å; D764-S767 PolarHBondContact OD2-OG 2.88Å; D764-F768 PolarHBondContact O-N 3.24Å | ||
| 765 | F | 89.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.4 | -28.7 | -178.9 | -176.3 | -90.4 | 0 | 0 | 0 | 111.2 | F768 W769 C806 E807 L822 L823 A824 A834 | F765-F768 PolarHBondContact O-N 2.95Å; F765-W769 HydrophobicContact CD1-CB 4.23Å; F765-W769 HydrophobicContact CE1-CB 4.04Å; F765-W769 HydrophobicContact CE1-CD2 4.01Å; F765-W769 AromaticContact CE1-CE3 3.46Å; F765-W769 HydrophobicContact CE1-CE3 3.46Å; F765-W769 VanDerWaalsContact CE1-CE3 3.46Å; F765-W769 HydrophobicContact CE1-CG 4.27Å; F765-W769 HydrophobicContact CE1-CZ3 4.26Å; F765-W769 HydrophobicContact CZ-CD2 4.44Å; F765-W769 AromaticContact CZ-CE3 3.49Å; F765-W769 HydrophobicContact CZ-CE3 3.49Å; F765-W769 VanDerWaalsContact CZ-CE3 3.49Å; F765-W769 HydrophobicContact CZ-CZ3 4.04Å; F765-W769 WeakPolarHBondContact O-CB 3.42Å; F765-W769 PolarHBondContact O-N 3.4Å; F765-C806 HydrophobicContact CB-CB 4.19Å; F765-C806 HydrophobicContact CD2-CB 3.82Å; F765-C806 HydrophobicContact CG-CB 4.36Å; F765-E807 HydrophobicContact CB-CG 4.38Å; F765-E807 WeakPolarHBondContact CB-OE1 3.32Å; F765-E807 PolarHBondContact N-OE1 3.33Å; F765-L822 HydrophobicContact CB-CD1 4.12Å; F765-L822 HydrophobicContact CD1-CB 4.19Å; F765-L822 HydrophobicContact CD1-CD1 3.91Å; F765-L822 HydrophobicContact CD1-CD2 3.86Å; F765-L822 HydrophobicContact CD1-CG 4.2Å; F765-L822 HydrophobicContact CD2-CB 4.01Å; F765-L822 HydrophobicContact CE1-CB 4.3Å; F765-L822 HydrophobicContact CE1-CD2 3.69Å; F765-L822 HydrophobicContact CE1-CG 4.39Å; F765-L822 HydrophobicContact CE2-CB 4.11Å; F765-L822 HydrophobicContact CG-CB 4.03Å; F765-L822 HydrophobicContact CG-CD1 4.03Å; F765-L822 HydrophobicContact CG-CG 4.43Å; F765-L822 HydrophobicContact CZ-CB 4.23Å; F765-L822 HydrophobicContact CZ-CD2 4.22Å; F765-L823 WeakPolarHBondContact CE2-O 3.25Å; F765-A824 HydrophobicContact CE2-CB 4.46Å; F765-A834 HydrophobicContact CE2-CB 4.02Å; F765-A834 HydrophobicContact CZ-CB 3.94Å |
| 766 | A | 87.4 | Confident | 81.4 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -49.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D764 F768 W769 D770 | D764-A766 VanDerWaalsContact C-N 3.3Å; D764-A766 PolarHBondContact OD1-N 3.02Å; D764-A766 VanDerWaalsContact OD1-N 3.17Å; A766-F768 VanDerWaalsContact C-N 3.3Å; A766-F768 PolarHBondContact O-N 3.1Å; A766-W769 PolarHBondContact O-N 3.14Å; A766-D770 PolarHBondContact O-N 3.31Å |
| 767 | S | 87.5 | Confident | 80.3 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | D764 D770 S771 | D764-S767 PolarHBondContact O-OG 3.22Å; D764-S767 PolarHBondContact OD1-N 3.11Å; D764-S767 VanDerWaalsContact OD1-N 3.16Å; D764-S767 WeakPolarHBondContact OD2-CB 3.49Å; D764-S767 PolarHBondContact OD2-OG 2.88Å; S767-D770 PolarHBondContact O-N 3.44Å; S767-S771 VanDerWaalsContact O-CB 3.28Å; S767-S771 WeakPolarHBondContact O-CB 3.41Å; S767-S771 PolarHBondContact O-N 3.2Å; S767-S771 PolarHBondContact O-OG 3.41Å |
| 768 | F | 89 | Confident | 79.6 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.035 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 174 | 179.9 | -121.4 | 0 | 0 | 0 | 112 | K762 D764 F765 A766 D770 S771 L772 A824 E832 A834 | K762-F768 HydrophobicContact CB-CB 4.43Å; K762-F768 HydrophobicContact CB-CD1 4.5Å; K762-F768 HydrophobicContact CB-CG 4.49Å; K762-F768 HydrophobicContact CD-CB 4.37Å; K762-F768 HydrophobicContact CD-CD1 4.43Å; K762-F768 HydrophobicContact CD-CD2 3.9Å; K762-F768 HydrophobicContact CD-CE2 4.25Å; K762-F768 HydrophobicContact CD-CG 3.98Å; K762-F768 VanDerWaalsContact CE-CE2 3.42Å; K762-F768 HydrophobicContact CG-CB 4.26Å; K762-F768 HydrophobicContact CG-CD1 3.85Å; K762-F768 HydrophobicContact CG-CD2 4.23Å; K762-F768 HydrophobicContact CG-CE1 4.18Å; K762-F768 HydrophobicContact CG-CG 3.85Å; D764-F768 PolarHBondContact O-N 3.24Å; F765-F768 PolarHBondContact O-N 2.95Å; A766-F768 VanDerWaalsContact C-N 3.3Å; A766-F768 PolarHBondContact O-N 3.1Å; F768-D770 VanDerWaalsContact C-N 3.29Å; F768-D770 PolarHBondContact O-N 2.88Å; F768-S771 WeakPolarHBondContact CA-OG 3.28Å; F768-S771 PolarHBondContact O-N 3.21Å; F768-S771 VanDerWaalsContact O-N 3.16Å; F768-S771 PolarHBondContact O-OG 2.88Å; F768-L772 HydrophobicContact CD1-CD1 4.21Å; F768-L772 HydrophobicContact CE1-CD1 3.82Å; F768-L772 HydrophobicContact CE2-CD1 4.11Å; F768-L772 HydrophobicContact CE2-CD2 4.24Å; F768-L772 HydrophobicContact CE2-CG 4.22Å; F768-L772 HydrophobicContact CZ-CD1 3.78Å; F768-L772 HydrophobicContact CZ-CD2 4.39Å; F768-L772 HydrophobicContact CZ-CG 4.36Å; F768-L772 WeakPolarHBondContact O-CG 3.36Å; F768-L772 PolarHBondContact O-N 3.22Å; F768-L772 VanDerWaalsContact O-N 3.14Å; F768-A824 HydrophobicContact CD1-CB 4.21Å; F768-A824 HydrophobicContact CE1-CB 3.69Å; F768-E832 HydrophobicContact CE2-CB 4.26Å; F768-E832 HydrophobicContact CE2-CG 4.43Å; F768-E832 WeakPolarHBondContact CE2-OE2 3.3Å; F768-E832 HydrophobicContact CZ-CB 4Å; F768-E832 HydrophobicContact CZ-CG 4.45Å; F768-A834 HydrophobicContact CD1-CB 4.02Å; F768-A834 HydrophobicContact CE1-CB 3.73Å |
| 769 | W | 88.4 | Confident | 79.3 | Confident | 16 Ų | 16 | 75 Ų | 75 | 6% | 0.061 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.5 | -39 | 176.8 | -178.3 | -88.5 | 0 | 0 | 0 | 112.6 | F765 A766 A834 R836 R854 | F765-W769 HydrophobicContact CD1-CB 4.23Å; F765-W769 HydrophobicContact CE1-CB 4.04Å; F765-W769 HydrophobicContact CE1-CD2 4.01Å; F765-W769 AromaticContact CE1-CE3 3.46Å; F765-W769 HydrophobicContact CE1-CE3 3.46Å; F765-W769 VanDerWaalsContact CE1-CE3 3.46Å; F765-W769 HydrophobicContact CE1-CG 4.27Å; F765-W769 HydrophobicContact CE1-CZ3 4.26Å; F765-W769 HydrophobicContact CZ-CD2 4.44Å; F765-W769 AromaticContact CZ-CE3 3.49Å; F765-W769 HydrophobicContact CZ-CE3 3.49Å; F765-W769 VanDerWaalsContact CZ-CE3 3.49Å; F765-W769 HydrophobicContact CZ-CZ3 4.04Å; F765-W769 WeakPolarHBondContact O-CB 3.42Å; F765-W769 PolarHBondContact O-N 3.4Å; A766-W769 PolarHBondContact O-N 3.14Å; W769-A834 HydrophobicContact CE3-CB 3.7Å; W769-A834 HydrophobicContact CZ3-CB 4.04Å; W769-R836 HydrophobicContact CE3-CB 4.45Å; W769-R836 HydrophobicContact CH2-CB 3.89Å; W769-R836 HydrophobicContact CZ3-CB 3.81Å; W769-R854 HydrophobicContact CD2-CG 4.49Å; W769-R854 HydrophobicContact CH2-CB 4.49Å; W769-R854 HydrophobicContact CH2-CG 3.89Å; W769-R854 HydrophobicContact CZ2-CG 3.82Å; W769-R854 HydrophobicContact CZ3-CB 4.42Å; W769-R854 HydrophobicContact CZ3-CG 4.27Å; W769-R854 PolarHBondContact O-NH1 2.82Å |
| 770 | D | 86.7 | Confident | 78.9 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -78.7 | -27.1 | 177.7 | -69.5 | -21.8 | 0 | 0 | 0 | 113 | A766 S767 F768 L772 R854 | A766-D770 PolarHBondContact O-N 3.31Å; S767-D770 PolarHBondContact O-N 3.44Å; F768-D770 VanDerWaalsContact C-N 3.29Å; F768-D770 PolarHBondContact O-N 2.88Å; D770-L772 VanDerWaalsContact C-N 3.33Å; D770-R854 IonicContact OD1-NH1 3.14Å |
| 771 | S | 84.2 | Confident | 78.8 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.7 | -27.7 | 174.7 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | S767 F768 S773 | S767-S771 VanDerWaalsContact O-CB 3.28Å; S767-S771 WeakPolarHBondContact O-CB 3.41Å; S767-S771 PolarHBondContact O-N 3.2Å; S767-S771 PolarHBondContact O-OG 3.41Å; F768-S771 WeakPolarHBondContact CA-OG 3.28Å; F768-S771 PolarHBondContact O-N 3.21Å; F768-S771 VanDerWaalsContact O-N 3.16Å; F768-S771 PolarHBondContact O-OG 2.88Å; S771-S773 PolarHBondContact O-N 3.31Å |
| 772 | L | 80.5 | Confident | 78.9 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.7 | 120.1 | 174.9 | -65.9 | 167.3 | 0 | 0 | 0 | 108.7 | F768 D770 T774 E832 A834 R854 | F768-L772 HydrophobicContact CD1-CD1 4.21Å; F768-L772 HydrophobicContact CE1-CD1 3.82Å; F768-L772 HydrophobicContact CE2-CD1 4.11Å; F768-L772 HydrophobicContact CE2-CD2 4.24Å; F768-L772 HydrophobicContact CE2-CG 4.22Å; F768-L772 HydrophobicContact CZ-CD1 3.78Å; F768-L772 HydrophobicContact CZ-CD2 4.39Å; F768-L772 HydrophobicContact CZ-CG 4.36Å; F768-L772 WeakPolarHBondContact O-CG 3.36Å; F768-L772 PolarHBondContact O-N 3.22Å; F768-L772 VanDerWaalsContact O-N 3.14Å; D770-L772 VanDerWaalsContact C-N 3.33Å; L772-T774 PolarHBondContact O-N 3.47Å; L772-E832 HydrophobicContact CD2-CB 3.91Å; L772-A834 HydrophobicContact CD1-CB 3.4Å; L772-R854 HydrophobicContact CB-CB 4.18Å; L772-R854 HydrophobicContact CD1-CB 4.31Å |
| 773 | S | 63.7 | Low | 78.9 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | trans | -49.5 | 137.1 | -170.7 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | S771 M775 | S771-S773 PolarHBondContact O-N 3.31Å; S773-M775 PolarHBondContact O-N 2.89Å | ||
| 774 | T | 56 | Low | 78.9 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 76% | 0.755 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 1.5 | 178.4 | 31.6 | 0 | 0 | 0 | 0 | 115.9 | L772 V776 | L772-T774 PolarHBondContact O-N 3.47Å; T774-V776 PolarHBondContact O-N 2.76Å |
| 775 | M | 56 | Low | 78.5 | Confident | 176 Ų | 176 | 62 Ų | 62 | 87% | 0.867 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -21.8 | -173.4 | -81.8 | -162.7 | 169.4 | 0 | 0 | 114.5 | S773 | S773-M775 PolarHBondContact O-N 2.89Š|
| 776 | V | 58.5 | Low | 77.9 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | trans | -141.1 | 84.3 | -177.3 | -169 | 0 | 0 | 0 | 0 | 109.9 | T774 L778 A861 | T774-V776 PolarHBondContact O-N 2.76Å; V776-L778 HydrophobicContact CG1-CD1 3.89Å; V776-L778 HydrophobicContact CG1-CG 3.75Å; V776-A861 HydrophobicContact CG1-CB 3.8Å | ||
| 777 | D | 64 | Low | 77.6 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 96.7 | 164 | -120.9 | -14.9 | 0 | 0 | 0 | 106.8 | R854 | D777-R854 VanDerWaalsContact CG-NE 3.25Å; D777-R854 WeakPolarHBondContact OD1-CG 3.46Å; D777-R854 IonicContact OD1-CZ 2.64Å; D777-R854 IonicContact OD1-NE 3.77Å; D777-R854 PolarHBondContact OD1-NE 2.91Å; D777-R854 IonicContact OD1-NH2 2.72Å; D777-R854 IonicContact OD2-CZ 3.68Å; D777-R854 IonicContact OD2-NE 2.97Å; D777-R854 PolarHBondContact OD2-NE 3.02Å; D777-R854 VanDerWaalsContact OD2-NE 3.14Å; D777-R854 IonicContact OD2-NH2 2.81Å; D777-R854 PolarHBondContact OD2-NH2 2.88Å |
| 778 | L | 76.2 | Confident | 77.2 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.5 | 174.3 | -72.8 | 171 | 0 | 0 | 0 | 108.6 | V776 G852 V853 A861 A862 | V776-L778 HydrophobicContact CG1-CD1 3.89Å; V776-L778 HydrophobicContact CG1-CG 3.75Å; L778-G852 WeakPolarHBondContact O-CA 3.43Å; L778-V853 PolarHBondContact N-O 3.3Å; L778-V853 PolarHBondContact O-N 3.34Å; L778-A861 HydrophobicContact CD1-CB 3.86Å; L778-A862 HydrophobicContact CD1-CB 4.08Å |
| 779 | E | 82.2 | Confident | 77.1 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.3 | 174.2 | -66.8 | -170.2 | 161 | 0 | 0 | 110.7 | H850 L851 Q865 | E779-H850 IonicContact OE1-NE2 3.92Å; E779-H850 IonicContact OE2-CE1 3.71Å; E779-H850 IonicContact OE2-NE2 3.6Å; E779-L851 CarbonylContact C-O 3.54Å; E779-L851 VanDerWaalsContact CA-O 3.24Å; E779-L851 WeakPolarHBondContact CA-O 3.4Å; E779-Q865 PolarHBondContact O-NE2 3.46Å |
| 780 | G | 81.6 | Confident | 77.2 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 144.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H850 L851 | G780-H850 CarbonylContact O-C 3.53Å; G780-H850 WeakPolarHBondContact O-CA 3.31Å; G780-L851 PolarHBondContact N-O 3.03Å; G780-L851 PolarHBondContact O-N 3.37Å |
| 781 | T | 85.4 | Confident | 77.3 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.3 | 175.1 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | L849 H850 | T781-L849 CarbonylContact C-O 3.46Å; T781-L849 VanDerWaalsContact CA-O 3.28Å; T781-L849 WeakPolarHBondContact CA-O 3.23Å; T781-H850 PolarHBondContact OG1-ND1 3.39Å |
| 782 | Y | 86.5 | Confident | 77.5 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 18% | 0.18 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.8 | -173.1 | -52.4 | -91.7 | 0 | 0 | 0 | 110.2 | L849 L851 Q865 I868 G869 | Y782-L849 HydrophobicContact CD2-CD2 4.27Å; Y782-L849 HydrophobicContact CD2-CG 4.42Å; Y782-L849 PolarHBondContact N-O 3.14Å; Y782-L849 PolarHBondContact O-N 3.14Å; Y782-L851 HydrophobicContact CD2-CB 4.49Å; Y782-L851 HydrophobicContact CE2-CB 4.1Å; Y782-L851 HydrophobicContact CE2-CD2 4.45Å; Y782-Q865 VanDerWaalsContact OH-CG 3.31Å; Y782-Q865 WeakPolarHBondContact OH-CG 3.44Å; Y782-Q865 PolarHBondContact OH-O 3.49Å; Y782-I868 HydrophobicContact CD1-CG2 4.24Å; Y782-I868 HydrophobicContact CD2-CG2 4.01Å; Y782-I868 HydrophobicContact CE1-CG2 4.46Å; Y782-I868 HydrophobicContact CE2-CB 4.45Å; Y782-I868 HydrophobicContact CE2-CG2 4.25Å; Y782-I868 HydrophobicContact CG-CG2 4.02Å; Y782-G869 VanDerWaalsContact CE1-CA 3.47Å |
| 783 | A | 84.7 | Confident | 78 | Confident | 65 Ų | 65 | 63 Ų | 63 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S785 | A783-S785 PolarHBondContact O-N 3.1Å |
| 784 | L | 82.4 | Confident | 79.3 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 100.3 | -178.6 | -59.7 | 173.5 | 0 | 0 | 0 | 109.3 | V787 A793 V847 L849 | L784-V787 HydrophobicContact CB-CG2 3.81Å; L784-A793 HydrophobicContact CD1-CB 3.75Å; L784-V847 HydrophobicContact CB-CB 4.46Å; L784-V847 PolarHBondContact N-O 3.29Å; L784-V847 PolarHBondContact O-N 3.07Å; L784-L849 HydrophobicContact CD1-CB 4.28Å; L784-L849 HydrophobicContact CD1-CD2 4.36Å; L784-L849 HydrophobicContact CG-CB 4.41Å |
| 785 | S | 76.9 | Confident | 80.9 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.1 | -176.5 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | A783 V787 | A783-S785 PolarHBondContact O-N 3.1Å; S785-V787 VanDerWaalsContact C-N 3.29Å; S785-V787 PolarHBondContact O-N 3.16Å |
| 786 | N | 78.3 | Confident | 82.4 | Confident | 142 Ų | 142 | 54.6 Ų | 54.6 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6.6 | -169.7 | -58.7 | -5.3 | 0 | 0 | 0 | 112.7 | ||
| 787 | V | 81.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -134.8 | 122.8 | -164 | -143.7 | 0 | 0 | 0 | 0 | 109.6 | L784 S785 E792 A793 | L784-V787 HydrophobicContact CB-CG2 3.81Å; S785-V787 VanDerWaalsContact C-N 3.29Å; S785-V787 PolarHBondContact O-N 3.16Å; V787-E792 HydrophobicContact CG1-CB 3.29Å; V787-A793 HydrophobicContact CB-CB 4.32Å; V787-A793 HydrophobicContact CG1-CB 3.95Å | ||
| 788 | S | 79.8 | Confident | 85.2 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -90.9 | -20.9 | -170.4 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | E792 Q841 | S788-E792 PolarHBondContact N-OE2 3.25Å; S788-E792 VanDerWaalsContact N-OE2 3.13Å; S788-E792 PolarHBondContact OG-OE2 3.19Å; S788-Q841 PolarHBondContact O-NE2 3.19Å |
| 789 | T | 86.3 | Confident | 85.7 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -135.3 | 152.4 | -177.7 | 61 | 0 | 0 | 0 | 0 | 112.4 | Q791 E792 A793 | T789-Q791 PolarHBondContact O-N 3.11Å; T789-E792 PolarHBondContact N-OE2 2.95Å; T789-E792 PolarHBondContact O-N 3.45Å; T789-E792 WeakPolarHBondContact OG1-CG 3.2Å; T789-E792 PolarHBondContact OG1-N 3.19Å; T789-E792 PolarHBondContact OG1-OE2 3.01Å; T789-A793 PolarHBondContact O-N 3.41Å; T789-A793 VanDerWaalsContact O-N 3.09Å |
| 790 | I | 89.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.6 | -34.9 | 176.2 | -56.7 | 178.1 | 0 | 0 | 0 | 111.6 | A793 V794 V812 A817 H819 L839 Q841 V847 | I790-A793 PolarHBondContact O-N 2.68Å; I790-V794 HydrophobicContact CG2-CG2 4.46Å; I790-V794 VanDerWaalsContact O-CG2 3.32Å; I790-V794 WeakPolarHBondContact O-CG2 3.36Å; I790-V794 PolarHBondContact O-N 2.92Å; I790-V812 HydrophobicContact CB-CG1 4.41Å; I790-V812 HydrophobicContact CB-CG2 4.5Å; I790-V812 HydrophobicContact CG2-CG1 4.24Å; I790-V812 HydrophobicContact CG2-CG2 3.93Å; I790-A817 WeakPolarHBondContact CD1-O 3.4Å; I790-H819 HydrophobicContact CG2-CB 3.73Å; I790-L839 HydrophobicContact CG2-CB 3.74Å; I790-L839 HydrophobicContact CG2-CD2 4.36Å; I790-Q841 HydrophobicContact CD1-CB 4.27Å; I790-V847 HydrophobicContact CG1-CG1 4.33Å; I790-V847 HydrophobicContact CG1-CG2 4.49Å |
| 791 | Q | 90.7 | Very high | 86.3 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 178.2 | -175.2 | 64.7 | 54.5 | 0 | 0 | 112 | T789 A793 V794 D795 G810 V812 | T789-Q791 PolarHBondContact O-N 3.11Å; Q791-A793 PolarHBondContact O-N 3.32Å; Q791-V794 WeakPolarHBondContact O-CB 3.47Å; Q791-V794 PolarHBondContact O-N 3.17Å; Q791-V794 VanDerWaalsContact O-N 3.15Å; Q791-D795 PolarHBondContact NE2-OD1 2.86Å; Q791-D795 PolarHBondContact NE2-OD2 3.41Å; Q791-D795 VanDerWaalsContact O-CG 3.28Å; Q791-D795 PolarHBondContact O-N 3.43Å; Q791-G810 PolarHBondContact NE2-O 3.27Å; Q791-V812 HydrophobicContact CB-CB 4.42Å; Q791-V812 HydrophobicContact CB-CG2 4.22Å |
| 792 | E | 88.2 | Confident | 86.4 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 175 | -75.5 | 166.6 | -178.7 | 0 | 0 | 110.9 | R247 V787 S788 T789 D795 Q796 | R247-E792 IonicContact CZ-OE1 2.78Å; R247-E792 IonicContact NE-OE1 2.73Å; R247-E792 PolarHBondContact NE-OE1 3.33Å; V787-E792 HydrophobicContact CG1-CB 3.29Å; S788-E792 PolarHBondContact N-OE2 3.25Å; S788-E792 VanDerWaalsContact N-OE2 3.13Å; S788-E792 PolarHBondContact OG-OE2 3.19Å; T789-E792 PolarHBondContact N-OE2 2.95Å; T789-E792 PolarHBondContact O-N 3.45Å; T789-E792 WeakPolarHBondContact OG1-CG 3.2Å; T789-E792 PolarHBondContact OG1-N 3.19Å; T789-E792 PolarHBondContact OG1-OE2 3.01Å; E792-D795 PolarHBondContact O-N 2.97Å; E792-Q796 WeakPolarHBondContact O-CG 3.31Å; E792-Q796 PolarHBondContact O-N 3.32Å |
| 793 | A | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L784 V787 T789 I790 Q791 L797 L839 V847 | L784-A793 HydrophobicContact CD1-CB 3.75Å; V787-A793 HydrophobicContact CB-CB 4.32Å; V787-A793 HydrophobicContact CG1-CB 3.95Å; T789-A793 PolarHBondContact O-N 3.41Å; T789-A793 VanDerWaalsContact O-N 3.09Å; I790-A793 PolarHBondContact O-N 2.68Å; Q791-A793 PolarHBondContact O-N 3.32Å; A793-L797 WeakPolarHBondContact O-CB 3.37Å; A793-L797 WeakPolarHBondContact O-CD1 3.37Å; A793-L797 WeakPolarHBondContact O-CG 3.37Å; A793-L797 PolarHBondContact O-N 2.85Å; A793-L839 HydrophobicContact CB-CD2 3.57Å; A793-V847 HydrophobicContact CB-CB 4.28Å; A793-V847 HydrophobicContact CB-CG1 4.01Å; A793-V847 HydrophobicContact CB-CG2 4.37Å |
| 794 | V | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 173.6 | 165.3 | 0 | 0 | 0 | 0 | 111 | I790 Q791 L797 I798 G810 V812 L821 L839 | I790-V794 HydrophobicContact CG2-CG2 4.46Å; I790-V794 VanDerWaalsContact O-CG2 3.32Å; I790-V794 WeakPolarHBondContact O-CG2 3.36Å; I790-V794 PolarHBondContact O-N 2.92Å; Q791-V794 WeakPolarHBondContact O-CB 3.47Å; Q791-V794 PolarHBondContact O-N 3.17Å; Q791-V794 VanDerWaalsContact O-N 3.15Å; V794-L797 PolarHBondContact O-N 3.48Å; V794-I798 HydrophobicContact CG1-CD1 3.74Å; V794-I798 WeakPolarHBondContact O-CD1 3.5Å; V794-I798 VanDerWaalsContact O-CG1 3.26Å; V794-I798 WeakPolarHBondContact O-CG1 3.5Å; V794-I798 PolarHBondContact O-N 3.44Å; V794-G810 WeakPolarHBondContact CG1-O 3.12Å; V794-V812 HydrophobicContact CG2-CG2 3.93Å; V794-L821 HydrophobicContact CB-CD2 4.48Å; V794-L821 HydrophobicContact CG1-CD1 3.95Å; V794-L821 HydrophobicContact CG1-CD2 4.08Å; V794-L821 HydrophobicContact CG2-CB 4.46Å; V794-L821 HydrophobicContact CG2-CD2 4.4Å; V794-L839 HydrophobicContact CG2-CD1 3.89Å; V794-L839 HydrophobicContact CG2-CD2 4.3Å |
| 795 | D | 90.3 | Very high | 87.4 | Confident | 75 Ų | 75 | 47 Ų | 47 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | -177.8 | -63.2 | -24.5 | 0 | 0 | 0 | 111.3 | Q791 E792 L797 I798 E799 | Q791-D795 PolarHBondContact NE2-OD1 2.86Å; Q791-D795 PolarHBondContact NE2-OD2 3.41Å; Q791-D795 VanDerWaalsContact O-CG 3.28Å; Q791-D795 PolarHBondContact O-N 3.43Å; E792-D795 PolarHBondContact O-N 2.97Å; D795-L797 PolarHBondContact O-N 2.84Å; D795-I798 PolarHBondContact O-N 2.74Å; D795-E799 PolarHBondContact O-N 3.2Å; D795-E799 VanDerWaalsContact O-N 3.13Å |
| 796 | Q | 87.6 | Confident | 88.1 | Confident | 97 Ų | 97 | 42.8 Ų | 42.8 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.8 | -75.9 | -175.1 | -0.1 | 0 | 0 | 112.7 | E792 E799 Y800 | E792-Q796 WeakPolarHBondContact O-CG 3.31Å; E792-Q796 PolarHBondContact O-N 3.32Å; Q796-E799 PolarHBondContact O-N 3.44Å; Q796-Y800 VanDerWaalsContact O-CB 3.24Å; Q796-Y800 WeakPolarHBondContact O-CB 3.26Å; Q796-Y800 PolarHBondContact O-N 3.12Å |
| 797 | L | 89.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.7 | -77.8 | 170.2 | 0 | 0 | 0 | 112.3 | A793 V794 D795 L801 L821 A837 L839 L849 I868 | A793-L797 WeakPolarHBondContact O-CB 3.37Å; A793-L797 WeakPolarHBondContact O-CD1 3.37Å; A793-L797 WeakPolarHBondContact O-CG 3.37Å; A793-L797 PolarHBondContact O-N 2.85Å; V794-L797 PolarHBondContact O-N 3.48Å; D795-L797 PolarHBondContact O-N 2.84Å; L797-L801 VanDerWaalsContact O-CB 3.28Å; L797-L801 WeakPolarHBondContact O-CB 3.47Å; L797-L801 VanDerWaalsContact O-CG 3.31Å; L797-L801 WeakPolarHBondContact O-CG 3.47Å; L797-L801 PolarHBondContact O-N 3.19Å; L797-L821 HydrophobicContact CB-CD2 4.09Å; L797-L821 HydrophobicContact CD1-CD2 4.36Å; L797-A837 HydrophobicContact CD1-CB 4.36Å; L797-L839 HydrophobicContact CD1-CD2 3.97Å; L797-L849 HydrophobicContact CD1-CD1 3.93Å; L797-L849 HydrophobicContact CD1-CD2 4.05Å; L797-L849 HydrophobicContact CD2-CD2 3.89Å; L797-I868 HydrophobicContact CD2-CD1 3.72Å |
| 798 | I | 90.8 | Very high | 88.7 | Confident | 43 Ų | 43 | 52 Ų | 52 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 177.1 | -67.9 | 160.7 | 0 | 0 | 0 | 110.1 | V794 D795 G802 V805 L821 L823 | V794-I798 HydrophobicContact CG1-CD1 3.74Å; V794-I798 WeakPolarHBondContact O-CD1 3.5Å; V794-I798 VanDerWaalsContact O-CG1 3.26Å; V794-I798 WeakPolarHBondContact O-CG1 3.5Å; V794-I798 PolarHBondContact O-N 3.44Å; D795-I798 PolarHBondContact O-N 2.74Å; I798-G802 PolarHBondContact O-N 2.91Å; I798-V805 HydrophobicContact CD1-CG2 3.43Å; I798-V805 VanDerWaalsContact CD1-CG2 3.43Å; I798-V805 HydrophobicContact CG1-CG2 3.73Å; I798-V805 HydrophobicContact CG2-CG2 4.34Å; I798-L821 HydrophobicContact CD1-CD1 4.33Å; I798-L821 HydrophobicContact CG1-CD1 4.38Å; I798-L821 HydrophobicContact CG1-CD2 4.23Å; I798-L823 HydrophobicContact CG1-CD2 3.98Å |
| 799 | E | 87.3 | Confident | 89.2 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -47.9 | -179.4 | -174.6 | 175.1 | -177.1 | 0 | 0 | 111.8 | C754 D795 Q796 | C754-E799 VanDerWaalsContact CB-O 3.24Å; C754-E799 WeakPolarHBondContact CB-O 3.41Å; D795-E799 PolarHBondContact O-N 3.2Å; D795-E799 VanDerWaalsContact O-N 3.13Å; Q796-E799 PolarHBondContact O-N 3.44Å |
| 800 | Y | 87 | Confident | 89.3 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 49% | 0.49 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.2 | -39.3 | -175 | -165.7 | -94.2 | 0 | 0 | 0 | 113 | C754 Q796 A867 | C754-Y800 WeakPolarHBondContact CB-O 3.37Å; C754-Y800 PolarHBondContact N-O 3.14Å; Q796-Y800 VanDerWaalsContact O-CB 3.24Å; Q796-Y800 WeakPolarHBondContact O-CB 3.26Å; Q796-Y800 PolarHBondContact O-N 3.12Å; Y800-A867 HydrophobicContact CE1-CB 3.97Å; Y800-A867 WeakPolarHBondContact CE1-O 3.35Å; Y800-A867 PolarHBondContact OH-O 3.39Å |
| 801 | L | 89.8 | Confident | 89.1 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -80.3 | -26.9 | 178.2 | -64 | 175.9 | 0 | 0 | 0 | 112.7 | L753 M757 L797 L803 L823 V835 V864 I868 | L753-L801 HydrophobicContact CD2-CD2 3.74Å; M757-L801 WeakPolarHBondContact CB-O 3.41Å; M757-L801 WeakPolarHBondContact CG-O 3.27Å; L797-L801 VanDerWaalsContact O-CB 3.28Å; L797-L801 WeakPolarHBondContact O-CB 3.47Å; L797-L801 VanDerWaalsContact O-CG 3.31Å; L797-L801 WeakPolarHBondContact O-CG 3.47Å; L797-L801 PolarHBondContact O-N 3.19Å; L801-L803 VanDerWaalsContact C-N 3.27Å; L801-L803 HydrophobicContact CB-CD1 4.06Å; L801-L803 HydrophobicContact CB-CG 4.04Å; L801-L803 HydrophobicContact CD1-CD1 4.38Å; L801-L803 PolarHBondContact O-N 3.08Å; L801-L823 HydrophobicContact CD1-CD1 3.63Å; L801-V835 HydrophobicContact CD1-CG1 4.3Å; L801-V864 HydrophobicContact CD2-CG1 4.24Å; L801-I868 HydrophobicContact CD1-CD1 4.25Å; L801-I868 HydrophobicContact CD2-CD1 4.17Å; L801-I868 HydrophobicContact CD2-CG1 4.19Å |
| 802 | G | 87.5 | Confident | 88.9 | Confident | 14 Ų | 14 | 55 Ų | 55 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 24.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I798 | I798-G802 PolarHBondContact O-N 2.91Š|
| 803 | L | 91.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 156.7 | -178 | -61.5 | 174.7 | 0 | 0 | 0 | 111.8 | M757 L801 L823 V835 | M757-L803 HydrophobicContact CB-CD2 4.21Å; M757-L803 HydrophobicContact CG-CD2 4.19Å; M757-L803 HydrophobicContact SD-CD2 3.99Å; L801-L803 VanDerWaalsContact C-N 3.27Å; L801-L803 HydrophobicContact CB-CD1 4.06Å; L801-L803 HydrophobicContact CB-CG 4.04Å; L801-L803 HydrophobicContact CD1-CD1 4.38Å; L801-L803 PolarHBondContact O-N 3.08Å; L803-L823 HydrophobicContact CB-CB 3.74Å; L803-L823 HydrophobicContact CB-CD1 4.46Å; L803-L823 HydrophobicContact CB-CD2 4.47Å; L803-L823 HydrophobicContact CB-CG 4.45Å; L803-L823 HydrophobicContact CD1-CB 3.9Å; L803-L823 HydrophobicContact CD1-CD1 4.5Å; L803-L823 HydrophobicContact CG-CB 4.5Å; L803-V835 HydrophobicContact CD1-CB 4.15Å; L803-V835 HydrophobicContact CD1-CG2 3.55Å |
| 804 | A | 90.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 133.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P759 M760 Q761 C806 L823 A824 | P759-A804 HydrophobicContact CB-CB 3.77Å; M760-A804 VanDerWaalsContact C-CB 3.46Å; Q761-A804 HydrophobicContact CG-CB 3.86Å; A804-C806 PolarHBondContact O-N 3.19Å; A804-L823 CarbonylContact O-C 3.55Å; A804-L823 VanDerWaalsContact O-CA 3.27Å; A804-L823 WeakPolarHBondContact O-CA 3.06Å; A804-A824 WeakPolarHBondContact CB-O 3.45Å; A804-A824 PolarHBondContact N-O 2.76Å; A804-A824 PolarHBondContact O-N 2.87Å |
| 805 | V | 92.3 | Very high | 87.3 | Confident | 38 Ų | 38 | 70 Ų | 70 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 120.3 | 169 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | I798 L821 L823 | I798-V805 HydrophobicContact CD1-CG2 3.43Å; I798-V805 VanDerWaalsContact CD1-CG2 3.43Å; I798-V805 HydrophobicContact CG1-CG2 3.73Å; I798-V805 HydrophobicContact CG2-CG2 4.34Å; V805-L821 HydrophobicContact CG2-CD1 4.4Å; V805-L823 HydrophobicContact CG2-CD2 3.91Å |
| 806 | C | 90.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 151.4 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | F765 A804 R808 S809 L822 | F765-C806 HydrophobicContact CB-CB 4.19Å; F765-C806 HydrophobicContact CD2-CB 3.82Å; F765-C806 HydrophobicContact CG-CB 4.36Å; A804-C806 PolarHBondContact O-N 3.19Å; C806-R808 PolarHBondContact O-N 3.42Å; C806-S809 WeakPolarHBondContact O-CB 3.43Å; C806-S809 PolarHBondContact O-N 3.33Å; C806-S809 PolarHBondContact O-OG 3.05Å; C806-L822 HydrophobicContact CB-CB 4.13Å; C806-L822 PolarHBondContact N-O 3.25Å |
| 807 | E | 89.1 | Confident | 86.7 | Confident | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 28.8 | 172.9 | -59.4 | 179.6 | -175.1 | 0 | 0 | 115.4 | F765 S809 L822 | F765-E807 HydrophobicContact CB-CG 4.38Å; F765-E807 WeakPolarHBondContact CB-OE1 3.32Å; F765-E807 PolarHBondContact N-OE1 3.33Å; E807-S809 PolarHBondContact O-N 2.63Å; E807-S809 VanDerWaalsContact O-N 3.14Å; E807-L822 HydrophobicContact CB-CD1 4.5Å; E807-L822 WeakPolarHBondContact OE2-CD1 3.34Å |
| 808 | R | 84.3 | Confident | 86.7 | Confident | 235 Ų | 235 | 74.1 Ų | 74.1 | 89% | 0.887 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 24.2 | -176.3 | -55.6 | 178.7 | 178.7 | 178.3 | -0.2 | 113.8 | C806 G810 | C806-R808 PolarHBondContact O-N 3.42Å; R808-G810 PolarHBondContact O-N 3.19Å |
| 809 | S | 90.4 | Very high | 86.9 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 1.3 | -179.6 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | C806 E807 H819 V820 L821 L822 | C806-S809 WeakPolarHBondContact O-CB 3.43Å; C806-S809 PolarHBondContact O-N 3.33Å; C806-S809 PolarHBondContact O-OG 3.05Å; E807-S809 PolarHBondContact O-N 2.63Å; E807-S809 VanDerWaalsContact O-N 3.14Å; S809-H819 PolarHBondContact O-NE2 3.49Å; S809-V820 WeakPolarHBondContact CB-O 3.22Å; S809-L821 WeakPolarHBondContact O-CD1 3.38Å; S809-L822 PolarHBondContact OG-N 3.44Å; S809-L822 PolarHBondContact OG-O 2.94Å |
| 810 | G | 86.4 | Confident | 87.2 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q791 V794 R808 | Q791-G810 PolarHBondContact NE2-O 3.27Å; V794-G810 WeakPolarHBondContact CG1-O 3.12Å; R808-G810 PolarHBondContact O-N 3.19Å |
| 811 | K | 87.1 | Confident | 87.5 | Confident | 176 Ų | 176 | 64.9 Ų | 64.9 | 77% | 0.765 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -106 | 119.1 | 177.5 | -72.3 | -171.6 | 177.2 | -176.9 | 0 | 111.2 | H819 | K811-H819 PolarHBondContact O-CE1 2.89Š|
| 812 | V | 86.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 130.2 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | I790 Q791 V794 Q814 H819 | I790-V812 HydrophobicContact CB-CG1 4.41Å; I790-V812 HydrophobicContact CB-CG2 4.5Å; I790-V812 HydrophobicContact CG2-CG1 4.24Å; I790-V812 HydrophobicContact CG2-CG2 3.93Å; Q791-V812 HydrophobicContact CB-CB 4.42Å; Q791-V812 HydrophobicContact CB-CG2 4.22Å; V794-V812 HydrophobicContact CG2-CG2 3.93Å; V812-Q814 PolarHBondContact O-N 3.25Å; V812-H819 HydrophobicContact CG1-CB 4.2Å; V812-H819 HydrophobicContact CG2-CB 4.27Å |
| 813 | T | 83.4 | Confident | 88 | Confident | 81 Ų | 81 | 65 Ų | 65 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 128 | 174.8 | -26.6 | 0 | 0 | 0 | 0 | 109.7 | G815 K816 | T813-G815 PolarHBondContact O-N 3.01Å; T813-K816 PolarHBondContact O-N 3.41Å |
| 814 | Q | 76.2 | Confident | 88.1 | Confident | 200 Ų | 200 | 64.7 Ų | 64.7 | 94% | 0.935 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.5 | -179.3 | -75.4 | -173.3 | -8.1 | 0 | 0 | 111.6 | V812 | V812-Q814 PolarHBondContact O-N 3.25Š|
| 815 | G | 74.5 | Confident | 88.2 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 91% | 0.907 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -6.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T813 | T813-G815 PolarHBondContact O-N 3.01Š|
| 816 | K | 81.3 | Confident | 88.2 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | trans | -75.2 | 129.6 | 173.7 | -76.2 | -170.4 | 175.7 | 176.7 | 0 | 111.3 | T813 S818 | T813-K816 PolarHBondContact O-N 3.41Å; K816-S818 VanDerWaalsContact C-N 3.29Å | ||
| 817 | A | 84.3 | Confident | 88.2 | Confident | 70 Ų | 70 | 64 Ų | 64 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -78.8 | -9.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I790 A840 Q841 | I790-A817 WeakPolarHBondContact CD1-O 3.4Å; A817-A840 WeakPolarHBondContact O-CA 3.25Å; A817-Q841 PolarHBondContact O-N 3.46Å |
| 818 | S | 90.8 | Very high | 88 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152 | 175.8 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | K816 L839 | K816-S818 VanDerWaalsContact C-N 3.29Å; S818-L839 CarbonylContact C-O 3.54Å; S818-L839 WeakPolarHBondContact CA-O 3.47Å |
| 819 | H | 93.4 | Very high | 88.1 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 11% | 0.106 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 151.3 | -179.2 | -170.9 | 70.1 | 0 | 0 | 0 | 110.7 | I790 S809 K811 V812 L839 | I790-H819 HydrophobicContact CG2-CB 3.73Å; S809-H819 PolarHBondContact O-NE2 3.49Å; K811-H819 PolarHBondContact O-CE1 2.89Å; V812-H819 HydrophobicContact CG1-CB 4.2Å; V812-H819 HydrophobicContact CG2-CB 4.27Å; H819-L839 PolarHBondContact N-O 3.28Å; H819-L839 PolarHBondContact O-N 3.2Å |
| 820 | V | 93.7 | Very high | 87.8 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.3 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | S809 L822 R836 A837 K838 | S809-V820 WeakPolarHBondContact CB-O 3.22Å; V820-L822 HydrophobicContact CG1-CD2 3.85Å; V820-L822 HydrophobicContact CG1-CG 4.47Å; V820-R836 HydrophobicContact CG1-CG 4.04Å; V820-A837 CarbonylContact C-O 3.55Å; V820-A837 WeakPolarHBondContact CA-O 3.44Å; V820-K838 HydrophobicContact CG1-CG 4.38Å; V820-K838 HydrophobicContact CG2-CG 4.12Å |
| 821 | L | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.1 | 174.7 | 175.8 | 66.3 | 0 | 0 | 0 | 109 | V794 L797 I798 V805 S809 L823 A837 L839 | V794-L821 HydrophobicContact CB-CD2 4.48Å; V794-L821 HydrophobicContact CG1-CD1 3.95Å; V794-L821 HydrophobicContact CG1-CD2 4.08Å; V794-L821 HydrophobicContact CG2-CB 4.46Å; V794-L821 HydrophobicContact CG2-CD2 4.4Å; L797-L821 HydrophobicContact CB-CD2 4.09Å; L797-L821 HydrophobicContact CD1-CD2 4.36Å; I798-L821 HydrophobicContact CD1-CD1 4.33Å; I798-L821 HydrophobicContact CG1-CD1 4.38Å; I798-L821 HydrophobicContact CG1-CD2 4.23Å; V805-L821 HydrophobicContact CG2-CD1 4.4Å; S809-L821 WeakPolarHBondContact O-CD1 3.38Å; L821-L823 HydrophobicContact CD1-CD2 4.02Å; L821-L823 HydrophobicContact CD1-CG 4.35Å; L821-L823 HydrophobicContact CD2-CD1 3.9Å; L821-L823 HydrophobicContact CD2-CD2 4.32Å; L821-L823 HydrophobicContact CD2-CG 4.14Å; L821-L823 HydrophobicContact CG-CD1 4.22Å; L821-L823 HydrophobicContact CG-CD2 4.12Å; L821-L823 HydrophobicContact CG-CG 3.92Å; L821-A837 HydrophobicContact CB-CB 4.1Å; L821-A837 PolarHBondContact N-O 2.93Å; L821-A837 PolarHBondContact O-N 3.23Å; L821-L839 HydrophobicContact CB-CD1 4.05Å |
| 822 | L | 94.6 | Very high | 88.1 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.8 | 179.7 | -55.2 | 177.6 | 0 | 0 | 0 | 108.4 | F765 C806 E807 S809 V820 R836 | F765-L822 HydrophobicContact CB-CD1 4.12Å; F765-L822 HydrophobicContact CD1-CB 4.19Å; F765-L822 HydrophobicContact CD1-CD1 3.91Å; F765-L822 HydrophobicContact CD1-CD2 3.86Å; F765-L822 HydrophobicContact CD1-CG 4.2Å; F765-L822 HydrophobicContact CD2-CB 4.01Å; F765-L822 HydrophobicContact CE1-CB 4.3Å; F765-L822 HydrophobicContact CE1-CD2 3.69Å; F765-L822 HydrophobicContact CE1-CG 4.39Å; F765-L822 HydrophobicContact CE2-CB 4.11Å; F765-L822 HydrophobicContact CG-CB 4.03Å; F765-L822 HydrophobicContact CG-CD1 4.03Å; F765-L822 HydrophobicContact CG-CG 4.43Å; F765-L822 HydrophobicContact CZ-CB 4.23Å; F765-L822 HydrophobicContact CZ-CD2 4.22Å; C806-L822 HydrophobicContact CB-CB 4.13Å; C806-L822 PolarHBondContact N-O 3.25Å; E807-L822 HydrophobicContact CB-CD1 4.5Å; E807-L822 WeakPolarHBondContact OE2-CD1 3.34Å; S809-L822 PolarHBondContact OG-N 3.44Å; S809-L822 PolarHBondContact OG-O 2.94Å; V820-L822 HydrophobicContact CG1-CD2 3.85Å; V820-L822 HydrophobicContact CG1-CG 4.47Å; L822-R836 HydrophobicContact CD2-CB 4.18Å; L822-R836 HydrophobicContact CD2-CG 3.84Å |
| 823 | L | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.3 | -175.3 | -61.6 | 171.3 | 0 | 0 | 0 | 110.7 | F765 I798 L801 L803 A804 V805 L821 V835 | F765-L823 WeakPolarHBondContact CE2-O 3.25Å; I798-L823 HydrophobicContact CG1-CD2 3.98Å; L801-L823 HydrophobicContact CD1-CD1 3.63Å; L803-L823 HydrophobicContact CB-CB 3.74Å; L803-L823 HydrophobicContact CB-CD1 4.46Å; L803-L823 HydrophobicContact CB-CD2 4.47Å; L803-L823 HydrophobicContact CB-CG 4.45Å; L803-L823 HydrophobicContact CD1-CB 3.9Å; L803-L823 HydrophobicContact CD1-CD1 4.5Å; L803-L823 HydrophobicContact CG-CB 4.5Å; A804-L823 CarbonylContact O-C 3.55Å; A804-L823 VanDerWaalsContact O-CA 3.27Å; A804-L823 WeakPolarHBondContact O-CA 3.06Å; V805-L823 HydrophobicContact CG2-CD2 3.91Å; L821-L823 HydrophobicContact CD1-CD2 4.02Å; L821-L823 HydrophobicContact CD1-CG 4.35Å; L821-L823 HydrophobicContact CD2-CD1 3.9Å; L821-L823 HydrophobicContact CD2-CD2 4.32Å; L821-L823 HydrophobicContact CD2-CG 4.14Å; L821-L823 HydrophobicContact CG-CD1 4.22Å; L821-L823 HydrophobicContact CG-CD2 4.12Å; L821-L823 HydrophobicContact CG-CG 3.92Å; L823-V835 HydrophobicContact CB-CB 4.15Å; L823-V835 PolarHBondContact N-O 3.04Å; L823-V835 PolarHBondContact O-N 3.35Å |
| 824 | A | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M760 K762 F765 F768 A804 V833 | M760-A824 PolarHBondContact N-O 2.96Å; M760-A824 VanDerWaalsContact N-O 3.1Å; M760-A824 CarbonylContact O-C 3.52Å; M760-A824 WeakPolarHBondContact O-CB 3.4Å; K762-A824 HydrophobicContact CG-CB 4.33Å; F765-A824 HydrophobicContact CE2-CB 4.46Å; F768-A824 HydrophobicContact CD1-CB 4.21Å; F768-A824 HydrophobicContact CE1-CB 3.69Å; A804-A824 WeakPolarHBondContact CB-O 3.45Å; A804-A824 PolarHBondContact N-O 2.76Å; A804-A824 PolarHBondContact O-N 2.87Å; A824-V833 WeakPolarHBondContact CA-O 3.35Å |
| 825 | G | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | -172.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L758 V833 | L758-G825 CarbonylContact O-C 3.52Å; L758-G825 WeakPolarHBondContact O-CA 2.98Å; G825-V833 PolarHBondContact N-O 3.2Å; G825-V833 PolarHBondContact O-N 3.23Å |
| 826 | V | 92 | Very high | 90.4 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | F635 M757 L758 M760 S831 E832 | F635-V826 HydrophobicContact CE2-CG1 4.38Å; F635-V826 WeakPolarHBondContact CZ-O 3.37Å; M757-V826 WeakPolarHBondContact CA-O 3.29Å; L758-V826 PolarHBondContact N-O 2.87Å; L758-V826 PolarHBondContact O-N 2.7Å; M760-V826 HydrophobicContact CE-CG2 3.21Å; M760-V826 HydrophobicContact SD-CG2 4.07Å; V826-S831 WeakPolarHBondContact CA-O 3.33Å; V826-E832 HydrophobicContact CG2-CG 4.31Å |
| 827 | Y | 90.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 159.7 | 173 | -172.8 | -124.5 | 0 | 0 | 0 | 110.8 | L753 Q756 M757 N829 G830 S831 T860 | L753-Y827 HydrophobicContact CD1-CE2 4.21Å; Q756-Y827 HydrophobicContact CB-CD2 4.02Å; Q756-Y827 HydrophobicContact CB-CE2 3.5Å; Q756-Y827 VanDerWaalsContact CB-CE2 3.5Å; Q756-Y827 HydrophobicContact CG-CE2 4.4Å; Q756-Y827 VanDerWaalsContact O-CD2 3.25Å; Q756-Y827 WeakPolarHBondContact O-CD2 3.36Å; Q756-Y827 PolarHBondContact OE1-OH 3.34Å; M757-Y827 HydrophobicContact CE-CD2 3.28Å; M757-Y827 HydrophobicContact CE-CE2 4Å; M757-Y827 HydrophobicContact CE-CG 3.99Å; M757-Y827 HydrophobicContact SD-CD2 3.72Å; M757-Y827 HydrophobicContact SD-CG 4.29Å; Y827-N829 HydrophobicContact CD1-CB 4.47Å; Y827-N829 WeakPolarHBondContact CD1-OD1 3.4Å; Y827-N829 PolarHBondContact O-N 3.43Å; Y827-G830 WeakPolarHBondContact O-CA 3.34Å; Y827-G830 PolarHBondContact O-N 3.47Å; Y827-S831 PolarHBondContact N-O 3.44Å; Y827-T860 HydrophobicContact CD1-CG2 3.64Å; Y827-T860 WeakPolarHBondContact CD1-OG1 3.43Å; Y827-T860 HydrophobicContact CG-CG2 3.69Å |
| 828 | R | 86.6 | Confident | 91.3 | Very high | 31 Ų | 31 | 30 Ų | 30 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -26.5 | -174.7 | 66.1 | 178.3 | 177 | 161.1 | -0.6 | 116.3 | F635 S660 Q756 G830 | F635-R828 HydrophobicContact CD1-CB 3.77Å; F635-R828 HydrophobicContact CD2-CB 4.5Å; F635-R828 HydrophobicContact CE1-CB 4Å; F635-R828 HydrophobicContact CG-CB 4.04Å; F635-R828 HydrophobicContact CZ-CB 4.46Å; S660-R828 WeakPolarHBondContact CA-O 3.05Å; Q756-R828 PolarHBondContact O-N 3.37Å; R828-G830 PolarHBondContact O-N 3.02Å |
| 829 | N | 85 | Confident | 91.4 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 35% | 0.353 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.4 | 175.6 | 65.7 | -6.2 | 0 | 0 | 0 | 113.8 | Y827 S831 D857 T860 | Y827-N829 HydrophobicContact CD1-CB 4.47Å; Y827-N829 WeakPolarHBondContact CD1-OD1 3.4Å; Y827-N829 PolarHBondContact O-N 3.43Å; N829-S831 PolarHBondContact ND2-OG 2.89Å; N829-S831 VanDerWaalsContact OD1-CB 3.27Å; N829-S831 WeakPolarHBondContact OD1-CB 3.3Å; N829-S831 PolarHBondContact OD1-N 3.1Å; N829-S831 PolarHBondContact OD1-OG 3.27Å; N829-D857 PolarHBondContact ND2-OD2 3.39Å; N829-T860 PolarHBondContact ND2-OG1 2.88Å |
| 830 | G | 85.5 | Confident | 91.3 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 51% | 0.505 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 93.6 | -2.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y827 R828 E832 | Y827-G830 WeakPolarHBondContact O-CA 3.34Å; Y827-G830 PolarHBondContact O-N 3.47Å; R828-G830 PolarHBondContact O-N 3.02Å; G830-E832 PolarHBondContact O-N 3.5Å |
| 831 | S | 88.5 | Confident | 90.9 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | trans | -72.8 | 126.4 | -179.6 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | V826 Y827 N829 D857 | V826-S831 WeakPolarHBondContact CA-O 3.33Å; Y827-S831 PolarHBondContact N-O 3.44Å; N829-S831 PolarHBondContact ND2-OG 2.89Å; N829-S831 VanDerWaalsContact OD1-CB 3.27Å; N829-S831 WeakPolarHBondContact OD1-CB 3.3Å; N829-S831 PolarHBondContact OD1-N 3.1Å; N829-S831 PolarHBondContact OD1-OG 3.27Å; S831-D857 VanDerWaalsContact OG-CB 3.31Å; S831-D857 WeakPolarHBondContact OG-CB 3.34Å | ||
| 832 | E | 91 | Very high | 90.3 | Very high | 60 Ų | 60 | 28.2 Ų | 28.2 | 28% | 0.28 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.2 | 172.5 | -72.6 | -173.1 | 136.5 | 0 | 0 | 110.5 | K762 F768 L772 V826 G830 S855 P856 | K762-E832 IonicContact NZ-OE1 3.78Å; K762-E832 PolarHBondContact NZ-OE1 2.91Å; F768-E832 HydrophobicContact CE2-CB 4.26Å; F768-E832 HydrophobicContact CE2-CG 4.43Å; F768-E832 WeakPolarHBondContact CE2-OE2 3.3Å; F768-E832 HydrophobicContact CZ-CB 4Å; F768-E832 HydrophobicContact CZ-CG 4.45Å; L772-E832 HydrophobicContact CD2-CB 3.91Å; V826-E832 HydrophobicContact CG2-CG 4.31Å; G830-E832 PolarHBondContact O-N 3.5Å; E832-S855 WeakPolarHBondContact O-CA 3.18Å; E832-S855 WeakPolarHBondContact O-CB 3.33Å; E832-S855 PolarHBondContact O-OG 3.27Å; E832-P856 VanDerWaalsContact O-CD 3.3Å; E832-P856 WeakPolarHBondContact O-CD 3.44Å |
| 833 | V | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.7 | 180 | -178.6 | 0 | 0 | 0 | 0 | 109 | A824 G825 V835 V853 R854 T860 V864 | A824-V833 WeakPolarHBondContact CA-O 3.35Å; G825-V833 PolarHBondContact N-O 3.2Å; G825-V833 PolarHBondContact O-N 3.23Å; V833-V835 HydrophobicContact CG1-CG2 4.01Å; V833-V853 HydrophobicContact CG1-CG1 4.08Å; V833-R854 WeakPolarHBondContact CA-O 3.36Å; V833-T860 HydrophobicContact CG2-CG2 3.57Å; V833-V864 HydrophobicContact CG1-CG1 4.44Å; V833-V864 HydrophobicContact CG1-CG2 4.04Å |
| 834 | A | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F765 F768 W769 L772 V853 R854 | F765-A834 HydrophobicContact CE2-CB 4.02Å; F765-A834 HydrophobicContact CZ-CB 3.94Å; F768-A834 HydrophobicContact CD1-CB 4.02Å; F768-A834 HydrophobicContact CE1-CB 3.73Å; W769-A834 HydrophobicContact CE3-CB 3.7Å; W769-A834 HydrophobicContact CZ3-CB 4.04Å; L772-A834 HydrophobicContact CD1-CB 3.4Å; A834-V853 WeakPolarHBondContact O-CA 3.38Å; A834-R854 PolarHBondContact N-O 2.73Å; A834-R854 PolarHBondContact O-N 3.24Å |
| 835 | V | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.7 | 179.1 | 178 | 0 | 0 | 0 | 0 | 109.5 | L801 L803 L823 V833 L851 G852 V853 V864 | L801-V835 HydrophobicContact CD1-CG1 4.3Å; L803-V835 HydrophobicContact CD1-CB 4.15Å; L803-V835 HydrophobicContact CD1-CG2 3.55Å; L823-V835 HydrophobicContact CB-CB 4.15Å; L823-V835 PolarHBondContact N-O 3.04Å; L823-V835 PolarHBondContact O-N 3.35Å; V833-V835 HydrophobicContact CG1-CG2 4.01Å; V835-L851 HydrophobicContact CG1-CD1 3.34Å; V835-L851 HydrophobicContact CG1-CG 4.06Å; V835-G852 CarbonylContact C-O 3.51Å; V835-G852 WeakPolarHBondContact CA-O 3.21Å; V835-V853 HydrophobicContact CG2-CG1 4.22Å; V835-V853 HydrophobicContact CG2-CG2 4.13Å; V835-V864 HydrophobicContact CG2-CG1 3.86Å |
| 836 | R | 92.8 | Very high | 87.4 | Confident | 83 Ų | 83 | 42 Ų | 42 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107 | 172.3 | 177.2 | 179.4 | -80.8 | 171.2 | -3.9 | 108.6 | W769 V820 L822 G852 | W769-R836 HydrophobicContact CE3-CB 4.45Å; W769-R836 HydrophobicContact CH2-CB 3.89Å; W769-R836 HydrophobicContact CZ3-CB 3.81Å; V820-R836 HydrophobicContact CG1-CG 4.04Å; L822-R836 HydrophobicContact CD2-CB 4.18Å; L822-R836 HydrophobicContact CD2-CG 3.84Å; R836-G852 PolarHBondContact N-O 3.43Å; R836-G852 PolarHBondContact O-N 3.12Å |
| 837 | A | 92.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 111.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L797 V820 L821 L839 L849 L851 | L797-A837 HydrophobicContact CD1-CB 4.36Å; V820-A837 CarbonylContact C-O 3.55Å; V820-A837 WeakPolarHBondContact CA-O 3.44Å; L821-A837 HydrophobicContact CB-CB 4.1Å; L821-A837 PolarHBondContact N-O 2.93Å; L821-A837 PolarHBondContact O-N 3.23Å; A837-L839 HydrophobicContact CB-CD1 4.27Å; A837-L849 HydrophobicContact CB-CD1 3.58Å; A837-L851 HydrophobicContact CB-CD1 4.07Å |
| 838 | K | 93 | Very high | 87.1 | Confident | 103 Ų | 103 | 43.4 Ų | 43.4 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.9 | 171.4 | -60.7 | 177.9 | -176 | 163.1 | 0 | 108.6 | V820 H850 | V820-K838 HydrophobicContact CG1-CG 4.38Å; V820-K838 HydrophobicContact CG2-CG 4.12Å; K838-H850 HydrophobicContact CB-CB 4.33Å; K838-H850 PolarHBondContact N-O 3.12Å; K838-H850 PolarHBondContact O-N 3.38Å |
| 839 | L | 92.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.8 | 179.2 | -58.3 | 99.9 | 0 | 0 | 0 | 110.4 | I790 A793 V794 L797 S818 H819 L821 A837 V847 N848 L849 | I790-L839 HydrophobicContact CG2-CB 3.74Å; I790-L839 HydrophobicContact CG2-CD2 4.36Å; A793-L839 HydrophobicContact CB-CD2 3.57Å; V794-L839 HydrophobicContact CG2-CD1 3.89Å; V794-L839 HydrophobicContact CG2-CD2 4.3Å; L797-L839 HydrophobicContact CD1-CD2 3.97Å; S818-L839 CarbonylContact C-O 3.54Å; S818-L839 WeakPolarHBondContact CA-O 3.47Å; H819-L839 PolarHBondContact N-O 3.28Å; H819-L839 PolarHBondContact O-N 3.2Å; L821-L839 HydrophobicContact CB-CD1 4.05Å; A837-L839 HydrophobicContact CB-CD1 4.27Å; L839-V847 HydrophobicContact CB-CG1 4.07Å; L839-V847 HydrophobicContact CD2-CG1 3.88Å; L839-N848 CarbonylContact C-O 3.5Å; L839-N848 VanDerWaalsContact CA-O 3.31Å; L839-N848 WeakPolarHBondContact CA-O 3.4Å; L839-L849 HydrophobicContact CG-CD1 4.07Å |
| 840 | A | 90.9 | Very high | 87.6 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | A817 G842 N848 | A817-A840 WeakPolarHBondContact O-CA 3.25Å; A840-G842 PolarHBondContact O-N 2.84Å; A840-N848 PolarHBondContact N-O 3.23Å; A840-N848 PolarHBondContact O-N 3.08Å |
| 841 | Q | 86.4 | Confident | 87.8 | Confident | 75 Ų | 75 | 39 Ų | 39 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 120.1 | 175.2 | -163.4 | 81.4 | 44.1 | 0 | 0 | 109.4 | S788 I790 A817 G845 | S788-Q841 PolarHBondContact O-NE2 3.19Å; I790-Q841 HydrophobicContact CD1-CB 4.27Å; A817-Q841 PolarHBondContact O-N 3.46Å; Q841-G845 PolarHBondContact NE2-O 3.36Å |
| 842 | G | 81 | Confident | 87.9 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | trans | -74.8 | 153.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A840 D844 G845 C846 | A840-G842 PolarHBondContact O-N 2.84Å; G842-D844 WeakPolarHBondContact CA-OD1 3.11Å; G842-D844 PolarHBondContact O-N 3.44Å; G842-G845 PolarHBondContact O-N 2.9Å; G842-G845 VanDerWaalsContact O-N 3.16Å; G842-C846 WeakPolarHBondContact CA-O 3.08Å; G842-C846 PolarHBondContact N-O 3.08Å | ||
| 843 | A | 77.6 | Confident | 87.9 | Confident | 120 Ų | 120 | 35.3 Ų | 35.3 | 99% | 0.992 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G845 | A843-G845 VanDerWaalsContact C-N 3.29Š|
| 844 | D | 77.2 | Confident | 87.8 | Confident | 113 Ų | 113 | 36.5 Ų | 36.5 | 60% | 0.604 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.6 | 175 | 57.4 | -8.7 | 0 | 0 | 0 | 113.5 | G842 C846 | G842-D844 WeakPolarHBondContact CA-OD1 3.11Å; G842-D844 PolarHBondContact O-N 3.44Å; D844-C846 VanDerWaalsContact C-N 3.31Å; D844-C846 PolarHBondContact OD1-N 2.83Å |
| 845 | G | 76.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 87.6 | -7.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q841 G842 A843 | Q841-G845 PolarHBondContact NE2-O 3.36Å; G842-G845 PolarHBondContact O-N 2.9Å; G842-G845 VanDerWaalsContact O-N 3.16Å; A843-G845 VanDerWaalsContact C-N 3.29Å |
| 846 | C | 82.2 | Confident | 87.3 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 160.9 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | G842 D844 | G842-C846 WeakPolarHBondContact CA-O 3.08Å; G842-C846 PolarHBondContact N-O 3.08Å; D844-C846 VanDerWaalsContact C-N 3.31Å; D844-C846 PolarHBondContact OD1-N 2.83Å |
| 847 | V | 85.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.9 | 172.7 | -177.8 | 0 | 0 | 0 | 0 | 109 | L784 I790 A793 L839 | L784-V847 HydrophobicContact CB-CB 4.46Å; L784-V847 PolarHBondContact N-O 3.29Å; L784-V847 PolarHBondContact O-N 3.07Å; I790-V847 HydrophobicContact CG1-CG1 4.33Å; I790-V847 HydrophobicContact CG1-CG2 4.49Å; A793-V847 HydrophobicContact CB-CB 4.28Å; A793-V847 HydrophobicContact CB-CG1 4.01Å; A793-V847 HydrophobicContact CB-CG2 4.37Å; L839-V847 HydrophobicContact CB-CG1 4.07Å; L839-V847 HydrophobicContact CD2-CG1 3.88Å |
| 848 | N | 89.2 | Confident | 86.4 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.9 | 173.6 | -69.1 | -39.6 | 0 | 0 | 0 | 109.3 | L839 A840 | L839-N848 CarbonylContact C-O 3.5Å; L839-N848 VanDerWaalsContact CA-O 3.31Å; L839-N848 WeakPolarHBondContact CA-O 3.4Å; A840-N848 PolarHBondContact N-O 3.23Å; A840-N848 PolarHBondContact O-N 3.08Å |
| 849 | L | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.9 | -180 | 168.7 | 65.2 | 0 | 0 | 0 | 109.3 | T781 Y782 L784 L797 A837 L839 I868 | T781-L849 CarbonylContact C-O 3.46Å; T781-L849 VanDerWaalsContact CA-O 3.28Å; T781-L849 WeakPolarHBondContact CA-O 3.23Å; Y782-L849 HydrophobicContact CD2-CD2 4.27Å; Y782-L849 HydrophobicContact CD2-CG 4.42Å; Y782-L849 PolarHBondContact N-O 3.14Å; Y782-L849 PolarHBondContact O-N 3.14Å; L784-L849 HydrophobicContact CD1-CB 4.28Å; L784-L849 HydrophobicContact CD1-CD2 4.36Å; L784-L849 HydrophobicContact CG-CB 4.41Å; L797-L849 HydrophobicContact CD1-CD1 3.93Å; L797-L849 HydrophobicContact CD1-CD2 4.05Å; L797-L849 HydrophobicContact CD2-CD2 3.89Å; A837-L849 HydrophobicContact CB-CD1 3.58Å; L839-L849 HydrophobicContact CG-CD1 4.07Å; L849-I868 HydrophobicContact CD2-CD1 4.25Å; L849-I868 HydrophobicContact CD2-CG2 3.75Å |
| 850 | H | 91.8 | Very high | 85.7 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 111.1 | 166.7 | -177.5 | 80.5 | 0 | 0 | 0 | 109 | E779 G780 T781 K838 | E779-H850 IonicContact OE1-NE2 3.92Å; E779-H850 IonicContact OE2-CE1 3.71Å; E779-H850 IonicContact OE2-NE2 3.6Å; G780-H850 CarbonylContact O-C 3.53Å; G780-H850 WeakPolarHBondContact O-CA 3.31Å; T781-H850 PolarHBondContact OG1-ND1 3.39Å; K838-H850 HydrophobicContact CB-CB 4.33Å; K838-H850 PolarHBondContact N-O 3.12Å; K838-H850 PolarHBondContact O-N 3.38Å |
| 851 | L | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.1 | -173.2 | -169.3 | 84.1 | 0 | 0 | 0 | 109.7 | E779 G780 Y782 V835 A837 V853 I868 | E779-L851 CarbonylContact C-O 3.54Å; E779-L851 VanDerWaalsContact CA-O 3.24Å; E779-L851 WeakPolarHBondContact CA-O 3.4Å; G780-L851 PolarHBondContact N-O 3.03Å; G780-L851 PolarHBondContact O-N 3.37Å; Y782-L851 HydrophobicContact CD2-CB 4.49Å; Y782-L851 HydrophobicContact CE2-CB 4.1Å; Y782-L851 HydrophobicContact CE2-CD2 4.45Å; V835-L851 HydrophobicContact CG1-CD1 3.34Å; V835-L851 HydrophobicContact CG1-CG 4.06Å; A837-L851 HydrophobicContact CB-CD1 4.07Å; L851-V853 HydrophobicContact CD2-CG2 3.57Å; L851-V853 HydrophobicContact CG-CG2 3.95Å; L851-I868 HydrophobicContact CD1-CD1 3.5Å; L851-I868 HydrophobicContact CD2-CD1 3.47Å; L851-I868 VanDerWaalsContact CD2-CD1 3.47Å; L851-I868 HydrophobicContact CD2-CG1 4.24Å; L851-I868 HydrophobicContact CG-CD1 4.04Å |
| 852 | G | 90.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L778 V835 R836 | L778-G852 WeakPolarHBondContact O-CA 3.43Å; V835-G852 CarbonylContact C-O 3.51Å; V835-G852 WeakPolarHBondContact CA-O 3.21Å; R836-G852 PolarHBondContact N-O 3.43Å; R836-G852 PolarHBondContact O-N 3.12Å |
| 853 | V | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.6 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L778 V833 A834 V835 L851 A861 V864 | L778-V853 PolarHBondContact N-O 3.3Å; L778-V853 PolarHBondContact O-N 3.34Å; V833-V853 HydrophobicContact CG1-CG1 4.08Å; A834-V853 WeakPolarHBondContact O-CA 3.38Å; V835-V853 HydrophobicContact CG2-CG1 4.22Å; V835-V853 HydrophobicContact CG2-CG2 4.13Å; L851-V853 HydrophobicContact CD2-CG2 3.57Å; L851-V853 HydrophobicContact CG-CG2 3.95Å; V853-A861 HydrophobicContact CG1-CB 4.14Å; V853-V864 HydrophobicContact CG1-CB 4Å; V853-V864 HydrophobicContact CG1-CG1 3.87Å; V853-V864 HydrophobicContact CG2-CG1 3.91Å |
| 854 | R | 89.9 | Confident | 86 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.1 | 170.9 | -71.5 | -171.2 | 179.1 | -176.7 | -1 | 111.4 | W769 D770 L772 D777 V833 A834 | W769-R854 HydrophobicContact CD2-CG 4.49Å; W769-R854 HydrophobicContact CH2-CB 4.49Å; W769-R854 HydrophobicContact CH2-CG 3.89Å; W769-R854 HydrophobicContact CZ2-CG 3.82Å; W769-R854 HydrophobicContact CZ3-CB 4.42Å; W769-R854 HydrophobicContact CZ3-CG 4.27Å; W769-R854 PolarHBondContact O-NH1 2.82Å; D770-R854 IonicContact OD1-NH1 3.14Å; L772-R854 HydrophobicContact CB-CB 4.18Å; L772-R854 HydrophobicContact CD1-CB 4.31Å; D777-R854 VanDerWaalsContact CG-NE 3.25Å; D777-R854 WeakPolarHBondContact OD1-CG 3.46Å; D777-R854 IonicContact OD1-CZ 2.64Å; D777-R854 IonicContact OD1-NE 3.77Å; D777-R854 PolarHBondContact OD1-NE 2.91Å; D777-R854 IonicContact OD1-NH2 2.72Å; D777-R854 IonicContact OD2-CZ 3.68Å; D777-R854 IonicContact OD2-NE 2.97Å; D777-R854 PolarHBondContact OD2-NE 3.02Å; D777-R854 VanDerWaalsContact OD2-NE 3.14Å; D777-R854 IonicContact OD2-NH2 2.81Å; D777-R854 PolarHBondContact OD2-NH2 2.88Å; V833-R854 WeakPolarHBondContact CA-O 3.36Å; A834-R854 PolarHBondContact N-O 2.73Å; A834-R854 PolarHBondContact O-N 3.24Å |
| 855 | S | 87.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -154.7 | 150.2 | 170.5 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | E832 D857 | E832-S855 WeakPolarHBondContact O-CA 3.18Å; E832-S855 WeakPolarHBondContact O-CB 3.33Å; E832-S855 PolarHBondContact O-OG 3.27Å; S855-D857 PolarHBondContact O-N 3.2Å; S855-D857 PolarHBondContact OG-N 2.94Å | ||
| 856 | P | 85.3 | Confident | 86.6 | Confident | 77 Ų | 77 | 30.2 Ų | 30.2 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -64.5 | -17.7 | 169.8 | 28 | -36.1 | 0 | 0 | 0 | 112.6 | E832 | E832-P856 VanDerWaalsContact O-CD 3.3Å; E832-P856 WeakPolarHBondContact O-CD 3.44Å |
| 857 | D | 83.7 | Confident | 86.4 | Confident | 48 Ų | 48 | 29.6 Ų | 29.6 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -106.2 | 113.6 | 177.6 | -176.4 | 57.4 | 0 | 0 | 0 | 111.4 | N829 S831 S855 P859 T860 A861 | N829-D857 PolarHBondContact ND2-OD2 3.39Å; S831-D857 VanDerWaalsContact OG-CB 3.31Å; S831-D857 WeakPolarHBondContact OG-CB 3.34Å; S855-D857 PolarHBondContact O-N 3.2Å; S855-D857 PolarHBondContact OG-N 2.94Å; D857-P859 WeakPolarHBondContact OD1-CD 3.42Å; D857-T860 WeakPolarHBondContact O-CB 3.46Å; D857-T860 PolarHBondContact O-N 3.4Å; D857-T860 VanDerWaalsContact OD2-CB 3.31Å; D857-T860 WeakPolarHBondContact OD2-CB 3.33Å; D857-T860 PolarHBondContact OD2-N 3.29Å; D857-T860 PolarHBondContact OD2-OG1 2.98Å; D857-A861 PolarHBondContact O-N 2.83Å; D857-A861 VanDerWaalsContact O-N 3.07Å |
| 858 | G | 83.2 | Confident | 86 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 26% | 0.258 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.4 | -45.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | T860 A861 A862 | G858-T860 VanDerWaalsContact C-N 3.32Å; G858-T860 PolarHBondContact O-N 3.47Å; G858-A861 PolarHBondContact O-N 3.41Å; G858-A862 PolarHBondContact O-N 3.09Å |
| 859 | P | 84.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 32.5 Ų | 32.5 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -56 | -43.1 | 172 | -26.1 | 33.4 | 0 | 0 | 0 | 113 | D857 A861 A862 V863 | D857-P859 WeakPolarHBondContact OD1-CD 3.42Å; P859-A861 PolarHBondContact O-N 3.48Å; P859-A862 PolarHBondContact O-N 2.89Å; P859-V863 WeakPolarHBondContact O-CG2 3.26Å; P859-V863 PolarHBondContact O-N 3.49Å |
| 860 | T | 85.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | Y827 N829 V833 D857 G858 A862 V863 V864 | Y827-T860 HydrophobicContact CD1-CG2 3.64Å; Y827-T860 WeakPolarHBondContact CD1-OG1 3.43Å; Y827-T860 HydrophobicContact CG-CG2 3.69Å; N829-T860 PolarHBondContact ND2-OG1 2.88Å; V833-T860 HydrophobicContact CG2-CG2 3.57Å; D857-T860 WeakPolarHBondContact O-CB 3.46Å; D857-T860 PolarHBondContact O-N 3.4Å; D857-T860 VanDerWaalsContact OD2-CB 3.31Å; D857-T860 WeakPolarHBondContact OD2-CB 3.33Å; D857-T860 PolarHBondContact OD2-N 3.29Å; D857-T860 PolarHBondContact OD2-OG1 2.98Å; G858-T860 VanDerWaalsContact C-N 3.32Å; G858-T860 PolarHBondContact O-N 3.47Å; T860-A862 VanDerWaalsContact C-N 3.31Å; T860-A862 PolarHBondContact O-N 2.99Å; T860-V863 PolarHBondContact O-N 3.19Å; T860-V864 VanDerWaalsContact O-CG2 3.31Å; T860-V864 WeakPolarHBondContact O-CG2 3.27Å; T860-V864 PolarHBondContact O-N 3.13Å |
| 861 | A | 86.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V776 L778 V853 D857 G858 P859 V864 Q865 | V776-A861 HydrophobicContact CG1-CB 3.8Å; L778-A861 HydrophobicContact CD1-CB 3.86Å; V853-A861 HydrophobicContact CG1-CB 4.14Å; D857-A861 PolarHBondContact O-N 2.83Å; D857-A861 VanDerWaalsContact O-N 3.07Å; G858-A861 PolarHBondContact O-N 3.41Å; P859-A861 PolarHBondContact O-N 3.48Å; A861-V864 PolarHBondContact O-N 3.5Å; A861-Q865 PolarHBondContact O-N 3.35Å; A861-Q865 VanDerWaalsContact O-N 3.08Å |
| 862 | A | 85.6 | Confident | 83.5 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L778 G858 P859 T860 V864 Q865 S866 | L778-A862 HydrophobicContact CD1-CB 4.08Å; G858-A862 PolarHBondContact O-N 3.09Å; P859-A862 PolarHBondContact O-N 2.89Å; T860-A862 VanDerWaalsContact C-N 3.31Å; T860-A862 PolarHBondContact O-N 2.99Å; A862-V864 VanDerWaalsContact C-N 3.35Å; A862-V864 PolarHBondContact O-N 3.33Å; A862-Q865 PolarHBondContact O-N 3.26Å; A862-S866 WeakPolarHBondContact O-CB 3.46Å; A862-S866 PolarHBondContact O-N 3.45Å; A862-S866 PolarHBondContact O-OG 2.9Å; A862-S866 VanDerWaalsContact O-OG 3.09Å |
| 863 | V | 84.9 | Confident | 83.1 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 33% | 0.327 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.8 | 170 | 0 | 0 | 0 | 0 | 111.1 | L753 P859 T860 S866 A867 | L753-V863 HydrophobicContact CD1-CG1 3.8Å; P859-V863 WeakPolarHBondContact O-CG2 3.26Å; P859-V863 PolarHBondContact O-N 3.49Å; T860-V863 PolarHBondContact O-N 3.19Å; V863-S866 WeakPolarHBondContact CA-OG 3.26Å; V863-S866 PolarHBondContact O-N 3.11Å; V863-S866 PolarHBondContact O-OG 3.11Å; V863-A867 WeakPolarHBondContact O-CB 3.37Å; V863-A867 PolarHBondContact O-N 3.25Å |
| 864 | V | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | L753 M757 L801 V833 V835 V853 T860 A861 A862 | L753-V864 HydrophobicContact CD2-CB 4.48Å; L753-V864 HydrophobicContact CD2-CG2 4.34Å; M757-V864 HydrophobicContact CE-CG2 3.39Å; L801-V864 HydrophobicContact CD2-CG1 4.24Å; V833-V864 HydrophobicContact CG1-CG1 4.44Å; V833-V864 HydrophobicContact CG1-CG2 4.04Å; V835-V864 HydrophobicContact CG2-CG1 3.86Å; V853-V864 HydrophobicContact CG1-CB 4Å; V853-V864 HydrophobicContact CG1-CG1 3.87Å; V853-V864 HydrophobicContact CG2-CG1 3.91Å; T860-V864 VanDerWaalsContact O-CG2 3.31Å; T860-V864 WeakPolarHBondContact O-CG2 3.27Å; T860-V864 PolarHBondContact O-N 3.13Å; A861-V864 PolarHBondContact O-N 3.5Å; A862-V864 VanDerWaalsContact C-N 3.35Å; A862-V864 PolarHBondContact O-N 3.33Å |
| 865 | Q | 84.2 | Confident | 82.2 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 176.9 | -175.1 | -166.6 | 18.5 | 0 | 0 | 111.5 | E779 Y782 A861 A862 A867 I868 | E779-Q865 PolarHBondContact O-NE2 3.46Å; Y782-Q865 VanDerWaalsContact OH-CG 3.31Å; Y782-Q865 WeakPolarHBondContact OH-CG 3.44Å; Y782-Q865 PolarHBondContact OH-O 3.49Å; A861-Q865 PolarHBondContact O-N 3.35Å; A861-Q865 VanDerWaalsContact O-N 3.08Å; A862-Q865 PolarHBondContact O-N 3.26Å; Q865-A867 PolarHBondContact O-N 3.14Å; Q865-I868 PolarHBondContact O-N 2.84Å |
| 866 | S | 81.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.4 | -22.5 | -177.9 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | A862 V863 I868 G869 | A862-S866 WeakPolarHBondContact O-CB 3.46Å; A862-S866 PolarHBondContact O-N 3.45Å; A862-S866 PolarHBondContact O-OG 2.9Å; A862-S866 VanDerWaalsContact O-OG 3.09Å; V863-S866 WeakPolarHBondContact CA-OG 3.26Å; V863-S866 PolarHBondContact O-N 3.11Å; V863-S866 PolarHBondContact O-OG 3.11Å; S866-I868 VanDerWaalsContact C-N 3.28Å; S866-I868 PolarHBondContact O-N 3.36Å; S866-G869 PolarHBondContact O-N 3.35Å |
| 867 | A | 78.1 | Confident | 81.5 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L753 Y800 V863 Q865 | L753-A867 HydrophobicContact CB-CB 4.32Å; L753-A867 HydrophobicContact CD2-CB 3.63Å; L753-A867 HydrophobicContact CG-CB 4.49Å; Y800-A867 HydrophobicContact CE1-CB 3.97Å; Y800-A867 WeakPolarHBondContact CE1-O 3.35Å; Y800-A867 PolarHBondContact OH-O 3.39Å; V863-A867 WeakPolarHBondContact O-CB 3.37Å; V863-A867 PolarHBondContact O-N 3.25Å; Q865-A867 PolarHBondContact O-N 3.14Å |
| 868 | I | 76.3 | Confident | 81.3 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -26.4 | 178.9 | -56.7 | -167.1 | 0 | 0 | 0 | 112.1 | Y782 L797 L801 L849 L851 Q865 S866 | Y782-I868 HydrophobicContact CD1-CG2 4.24Å; Y782-I868 HydrophobicContact CD2-CG2 4.01Å; Y782-I868 HydrophobicContact CE1-CG2 4.46Å; Y782-I868 HydrophobicContact CE2-CB 4.45Å; Y782-I868 HydrophobicContact CE2-CG2 4.25Å; Y782-I868 HydrophobicContact CG-CG2 4.02Å; L797-I868 HydrophobicContact CD2-CD1 3.72Å; L801-I868 HydrophobicContact CD1-CD1 4.25Å; L801-I868 HydrophobicContact CD2-CD1 4.17Å; L801-I868 HydrophobicContact CD2-CG1 4.19Å; L849-I868 HydrophobicContact CD2-CD1 4.25Å; L849-I868 HydrophobicContact CD2-CG2 3.75Å; L851-I868 HydrophobicContact CD1-CD1 3.5Å; L851-I868 HydrophobicContact CD2-CD1 3.47Å; L851-I868 VanDerWaalsContact CD2-CD1 3.47Å; L851-I868 HydrophobicContact CD2-CG1 4.24Å; L851-I868 HydrophobicContact CG-CD1 4.04Å; Q865-I868 PolarHBondContact O-N 2.84Å; S866-I868 VanDerWaalsContact C-N 3.28Å; S866-I868 PolarHBondContact O-N 3.36Å |
| 869 | G | 59.8 | Low | 81.1 | Confident | 100 Ų | 100 | 40.8 Ų | 40.8 | 100% | 1.031 | 30% | 0.3 | S | S | * | . | trans | -80.4 | 0 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y782 S866 | Y782-G869 VanDerWaalsContact CE1-CA 3.47Å; S866-G869 PolarHBondContact O-N 3.35Å |
Retrieved 869 of 869 residues in 268.4 ms
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