| 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 | R | 29.2 | Very low | 34.5 | Very low | 309 Ų | 309 | 122.1 Ų | 122.1 | 100% | 1.166 | 62% | 0.624 | S | S | * | * | 0 | 99.6 | 0 | -92.5 | -178.2 | 172.2 | 171.8 | -2.8 | 106.4 | |||||
| 2 | L | 29.3 | Very low | 35.5 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 94% | 0.937 | 64% | 0.636 | S | S | * | * | trans | -104.2 | 128.5 | 175.8 | -85.1 | 151.6 | 0 | 0 | 0 | 106.9 | ||||
| 3 | D | 32.1 | Very low | 37 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | trans | -67.4 | 136.4 | -179.7 | -96.9 | -36.9 | 0 | 0 | 0 | 112.2 | E5 G6 | D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.28Å; D3-G6 PolarHBondContact O-N 3.04Å | ||
| 4 | M | 36.3 | Very low | 39.2 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -21.9 | -175.6 | -79.1 | -178.8 | -157.5 | 0 | 0 | 115.1 | G6 A7 E700 K701 | M4-G6 PolarHBondContact O-N 3.17Å; M4-A7 PolarHBondContact O-N 3.23Å; M4-E700 HydrophobicContact CE-CG 3.9Å; M4-K701 HydrophobicContact SD-CG 4.47Å |
| 5 | E | 28.7 | Very low | 41.7 | Very low | 178 Ų | 178 | 115.7 Ų | 115.7 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.5 | -20.3 | 172.4 | -81.3 | -175.7 | 155.4 | 0 | 0 | 112.4 | D3 T9 | D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.28Å; E5-T9 PolarHBondContact O-OG1 3.49Å |
| 6 | G | 31.3 | Very low | 44.2 | Very low | 34 Ų | 34 | 111.2 Ų | 111.2 | 35% | 0.351 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.6 | -21.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | D3 M4 A10 | D3-G6 PolarHBondContact O-N 3.04Å; M4-G6 PolarHBondContact O-N 3.17Å; G6-A10 WeakPolarHBondContact O-CA 3.5Å; G6-A10 WeakPolarHBondContact O-CB 3.47Å; G6-A10 PolarHBondContact O-N 3.01Å |
| 7 | A | 35.7 | Very low | 46.5 | Very low | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75.2 | -37.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M4 R11 | M4-A7 PolarHBondContact O-N 3.23Å; A7-R11 WeakPolarHBondContact O-CG 3.43Å; A7-R11 PolarHBondContact O-N 3.05Å |
| 8 | L | 34.2 | Very low | 48.5 | Very low | 122 Ų | 122 | 103.2 Ų | 103.2 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.7 | -40 | 176.1 | -79.1 | 159.8 | 0 | 0 | 0 | 111.9 | R11 | L8-R11 PolarHBondContact O-N 3.43Å |
| 9 | T | 34.2 | Very low | 50.3 | Low | 87 Ų | 87 | 97.8 Ų | 97.8 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.2 | -23.3 | 174.1 | 40.6 | 0 | 0 | 0 | 0 | 113.4 | E5 R13 | E5-T9 PolarHBondContact O-OG1 3.49Å; T9-R13 WeakPolarHBondContact O-CG 3.22Å; T9-R13 PolarHBondContact O-N 3.4Å |
| 10 | A | 39.7 | Very low | 51.7 | Low | 39 Ų | 39 | 93.3 Ų | 93.3 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.2 | -29.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G6 D12 R13 V14 | G6-A10 WeakPolarHBondContact O-CA 3.5Å; G6-A10 WeakPolarHBondContact O-CB 3.47Å; G6-A10 PolarHBondContact O-N 3.01Å; A10-D12 VanDerWaalsContact C-N 3.3Å; A10-D12 PolarHBondContact O-N 2.87Å; A10-R13 PolarHBondContact O-N 2.99Å; A10-V14 HydrophobicContact CB-CG2 4.3Å; A10-V14 WeakPolarHBondContact O-CB 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 3.27Å |
| 11 | R | 49.3 | Very low | 52.7 | Low | 101 Ų | 101 | 90.5 Ų | 90.5 | 38% | 0.381 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 175.2 | -82.1 | 177.1 | -178.8 | 179.8 | 3.9 | 111.7 | A7 L8 G15 | A7-R11 WeakPolarHBondContact O-CG 3.43Å; A7-R11 PolarHBondContact O-N 3.05Å; L8-R11 PolarHBondContact O-N 3.43Å; R11-G15 WeakPolarHBondContact O-CA 3.46Å; R11-G15 PolarHBondContact O-N 3.13Å |
| 12 | D | 46.6 | Very low | 54.9 | Low | 143 Ų | 143 | 76.5 Ų | 76.5 | 77% | 0.765 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -73.3 | -32.1 | 175.8 | -75.9 | -24.2 | 0 | 0 | 0 | 113.6 | A10 | A10-D12 VanDerWaalsContact C-N 3.3Å; A10-D12 PolarHBondContact O-N 2.87Å |
| 13 | R | 54.7 | Low | 56.7 | Low | 202 Ų | 202 | 74.8 Ų | 74.8 | 76% | 0.762 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -81.7 | -25.1 | -179.2 | -75.9 | -177.4 | 176.1 | -173.4 | 1.1 | 114.6 | T9 A10 | T9-R13 WeakPolarHBondContact O-CG 3.22Å; T9-R13 PolarHBondContact O-N 3.4Å; A10-R13 PolarHBondContact O-N 2.99Å |
| 14 | V | 67.2 | Low | 58.6 | Low | 40 Ų | 40 | 73.7 Ų | 73.7 | 24% | 0.242 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -119.2 | -18.5 | -167.9 | -175.2 | 0 | 0 | 0 | 0 | 112 | A10 R37 L42 | A10-V14 HydrophobicContact CB-CG2 4.3Å; A10-V14 WeakPolarHBondContact O-CB 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 3.27Å; V14-R37 WeakPolarHBondContact O-CG 3.28Å; V14-L42 HydrophobicContact CG1-CD1 3.1Å; V14-L42 HydrophobicContact CG1-CG 4.39Å |
| 15 | G | 76.6 | Confident | 60.3 | Low | 7 Ų | 7 | 71.9 Ų | 71.9 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | trans | 91.2 | 164.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R11 N33 | R11-G15 WeakPolarHBondContact O-CA 3.46Å; R11-G15 PolarHBondContact O-N 3.13Å; G15-N33 VanDerWaalsContact CA-OD1 3.22Å; G15-N33 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 16 | I | 81.4 | Confident | 62.9 | Low | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | trans | -76.5 | 135 | -174.5 | -56.3 | -172.4 | 0 | 0 | 0 | 110.6 | D18 L21 L22 N33 R37 | I16-D18 WeakPolarHBondContact CG2-O 3.29Å; I16-L21 HydrophobicContact CG2-CB 3.58Å; I16-L21 HydrophobicContact CG2-CD1 3.89Å; I16-L21 HydrophobicContact CG2-CG 4.37Å; I16-L22 HydrophobicContact CD1-CD2 3.81Å; I16-L22 HydrophobicContact CD1-CG 4.38Å; I16-N33 PolarHBondContact N-OD1 3.39Å; I16-N33 PolarHBondContact O-ND2 3.14Å; I16-R37 VanDerWaalsContact O-CD 3.31Å; I16-R37 WeakPolarHBondContact O-CD 3.11Å | ||
| 17 | Q | 83.2 | Confident | 65.4 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -78.2 | -29.3 | -176.7 | -68.6 | -178.5 | 6.9 | 0 | 0 | 114.3 | T45 Y46 P81 | Q17-T45 VanDerWaalsContact O-CG2 3.3Å; Q17-T45 WeakPolarHBondContact O-CG2 3.26Å; Q17-Y46 PolarHBondContact O-N 2.81Å; Q17-P81 HydrophobicContact CB-CG 3.74Å; Q17-P81 HydrophobicContact CG-CG 4.26Å; Q17-P81 VanDerWaalsContact O-CG 3.29Å; Q17-P81 WeakPolarHBondContact O-CG 3.25Å |
| 18 | D | 82.8 | Confident | 67.9 | Low | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.011 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 125.2 | 176.5 | -173.2 | -13.4 | 0 | 0 | 0 | 109.8 | I16 V20 L21 Y46 I47 G48 | I16-D18 WeakPolarHBondContact CG2-O 3.29Å; D18-V20 PolarHBondContact O-N 2.93Å; D18-V20 WeakPolarHBondContact OD1-CG2 3.38Å; D18-V20 PolarHBondContact OD1-N 3.22Å; D18-L21 HydrophobicContact CB-CD1 4.19Å; D18-L21 HydrophobicContact CB-CG 4.43Å; D18-L21 WeakPolarHBondContact O-CB 3.14Å; D18-L21 PolarHBondContact O-N 2.95Å; D18-L21 VanDerWaalsContact O-N 3.09Å; D18-Y46 CarbonylContact C-O 3.48Å; D18-Y46 WeakPolarHBondContact CA-O 3.32Å; D18-I47 WeakPolarHBondContact OD1-CA 3.45Å; D18-G48 PolarHBondContact OD1-N 3.22Å; D18-G48 VanDerWaalsContact OD1-N 3.07Å; D18-G48 PolarHBondContact OD2-N 3.35Å |
| 19 | F | 83.9 | Confident | 70.3 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -63.5 | -20.1 | 179.6 | -67.7 | -32.2 | 0 | 0 | 0 | 113.8 | L21 L22 V30 N33 L34 T45 Y46 I47 V52 L624 | F19-L21 PolarHBondContact O-N 3.2Å; F19-L21 VanDerWaalsContact O-N 3.14Å; F19-L22 HydrophobicContact CB-CD1 3.87Å; F19-L22 HydrophobicContact CD1-CD1 3.63Å; F19-L22 HydrophobicContact CD1-CG 4.34Å; F19-L22 HydrophobicContact CG-CD1 4Å; F19-L22 WeakPolarHBondContact O-CB 3.25Å; F19-L22 WeakPolarHBondContact O-CG 3.45Å; F19-L22 PolarHBondContact O-N 2.88Å; F19-V30 HydrophobicContact CD2-CG1 4.14Å; F19-V30 HydrophobicContact CE1-CG1 4.28Å; F19-V30 HydrophobicContact CE2-CG1 3.8Å; F19-V30 HydrophobicContact CZ-CG1 3.9Å; F19-N33 HydrophobicContact CE1-CB 4.13Å; F19-N33 VanDerWaalsContact CE1-ND2 3.3Å; F19-N33 WeakPolarHBondContact CE1-ND2 3.34Å; F19-L34 HydrophobicContact CE1-CD2 4.46Å; F19-L34 HydrophobicContact CE1-CG 4.35Å; F19-L34 HydrophobicContact CE2-CD2 4.42Å; F19-L34 HydrophobicContact CZ-CD1 4.25Å; F19-L34 HydrophobicContact CZ-CD2 3.59Å; F19-L34 HydrophobicContact CZ-CG 3.63Å; F19-T45 HydrophobicContact CD1-CG2 3.94Å; F19-T45 HydrophobicContact CE1-CG2 3.56Å; F19-T45 HydrophobicContact CE2-CG2 4.24Å; F19-T45 HydrophobicContact CG-CG2 4.43Å; F19-T45 HydrophobicContact CZ-CG2 3.66Å; F19-Y46 PolarHBondContact N-O 3.3Å; F19-I47 HydrophobicContact CB-CG1 4.24Å; F19-I47 HydrophobicContact CD2-CD1 3.56Å; F19-I47 HydrophobicContact CD2-CG1 3.47Å; F19-I47 VanDerWaalsContact CD2-CG1 3.47Å; F19-I47 HydrophobicContact CE2-CD1 4.11Å; F19-I47 HydrophobicContact CE2-CG1 4.17Å; F19-I47 HydrophobicContact CG-CG1 4.27Å; F19-V52 HydrophobicContact CE2-CG2 4.13Å; F19-L624 VanDerWaalsContact C-CD1 3.47Å; F19-L624 HydrophobicContact CB-CD1 3.87Å; F19-L624 HydrophobicContact CB-CD2 4.3Å; F19-L624 WeakPolarHBondContact O-CD1 3.36Å |
| 20 | V | 77.7 | Confident | 72.9 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -61 | -22.9 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | D18 I47 L624 R627 A632 P689 | D18-V20 PolarHBondContact O-N 2.93Å; D18-V20 WeakPolarHBondContact OD1-CG2 3.38Å; D18-V20 PolarHBondContact OD1-N 3.22Å; V20-I47 HydrophobicContact CG2-CG2 4.45Å; V20-L624 HydrophobicContact CG2-CD1 4.19Å; V20-R627 HydrophobicContact CG2-CB 4.09Å; V20-A632 HydrophobicContact CG1-CB 4.02Å; V20-P689 HydrophobicContact CB-CG 4.02Å; V20-P689 HydrophobicContact CG1-CG 3.65Å |
| 21 | L | 73 | Confident | 75.4 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -84.8 | -4.1 | 176.4 | -64.2 | 168.1 | 0 | 0 | 0 | 114.6 | I16 D18 F19 D23 P689 R690 Y693 | I16-L21 HydrophobicContact CG2-CB 3.58Å; I16-L21 HydrophobicContact CG2-CD1 3.89Å; I16-L21 HydrophobicContact CG2-CG 4.37Å; D18-L21 HydrophobicContact CB-CD1 4.19Å; D18-L21 HydrophobicContact CB-CG 4.43Å; D18-L21 WeakPolarHBondContact O-CB 3.14Å; D18-L21 PolarHBondContact O-N 2.95Å; D18-L21 VanDerWaalsContact O-N 3.09Å; F19-L21 PolarHBondContact O-N 3.2Å; F19-L21 VanDerWaalsContact O-N 3.14Å; L21-D23 PolarHBondContact O-N 3.22Å; L21-P689 HydrophobicContact CD2-CB 3.49Å; L21-P689 VanDerWaalsContact CD2-CB 3.49Å; L21-P689 HydrophobicContact CD2-CG 3.48Å; L21-P689 VanDerWaalsContact CD2-CG 3.48Å; L21-P689 HydrophobicContact CG-CB 4.08Å; L21-P689 HydrophobicContact CG-CG 3.88Å; L21-R690 HydrophobicContact CD2-CB 4.34Å; L21-R690 VanDerWaalsContact CD2-N 3.29Å; L21-Y693 HydrophobicContact CD1-CD2 3.98Å; L21-Y693 HydrophobicContact CD1-CE2 3.27Å; L21-Y693 HydrophobicContact CD2-CD2 4.08Å; L21-Y693 HydrophobicContact CD2-CE2 3.9Å; L21-Y693 HydrophobicContact CG-CE2 4.03Å |
| 22 | L | 74.8 | Confident | 77.3 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | trans | -64.4 | 134.4 | 178.4 | -75.2 | 165.7 | 0 | 0 | 0 | 110.2 | I16 F19 E24 V30 N33 R628 | I16-L22 HydrophobicContact CD1-CD2 3.81Å; I16-L22 HydrophobicContact CD1-CG 4.38Å; F19-L22 HydrophobicContact CB-CD1 3.87Å; F19-L22 HydrophobicContact CD1-CD1 3.63Å; F19-L22 HydrophobicContact CD1-CG 4.34Å; F19-L22 HydrophobicContact CG-CD1 4Å; F19-L22 WeakPolarHBondContact O-CB 3.25Å; F19-L22 WeakPolarHBondContact O-CG 3.45Å; F19-L22 PolarHBondContact O-N 2.88Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.73Å; L22-V30 HydrophobicContact CD1-CG2 3.77Å; L22-N33 HydrophobicContact CD2-CB 4.24Å; L22-R628 PolarHBondContact O-NH1 3.08Å | ||
| 23 | D | 67.3 | Low | 79.4 | Confident | 143 Ų | 143 | 51.5 Ų | 51.5 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -61.4 | -44.5 | 177.3 | -64.2 | -43.1 | 0 | 0 | 0 | 110.8 | L21 R628 | L21-D23 PolarHBondContact O-N 3.22Å; D23-R628 PolarHBondContact O-NH1 3.09Å; D23-R628 PolarHBondContact O-NH2 3.21Å |
| 24 | E | 72.3 | Confident | 81.1 | Confident | 125 Ų | 125 | 42 Ų | 42 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | trans | -109 | 133 | 177.2 | -64.4 | -177.1 | -177.5 | 0 | 0 | 112.3 | L22 T26 A29 | L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.73Å; E24-T26 HydrophobicContact CB-CG2 4.32Å; E24-T26 PolarHBondContact O-N 2.73Å; E24-A29 HydrophobicContact CB-CB 4.4Å | ||
| 25 | T | 71.8 | Confident | 82.3 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | trans | -86.4 | 34 | 171.5 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | M621 L624 R628 | T25-M621 WeakPolarHBondContact O-CE 3.47Å; T25-L624 HydrophobicContact CG2-CD2 4.1Å; T25-L624 HydrophobicContact CG2-CG 4.24Å; T25-R628 VanDerWaalsContact CG2-CD 3.42Å | ||
| 26 | T | 83.1 | Confident | 83 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | trans | -82.5 | 147.5 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | E24 V28 A29 V30 | E24-T26 HydrophobicContact CB-CG2 4.32Å; E24-T26 PolarHBondContact O-N 2.73Å; T26-V28 PolarHBondContact O-N 2.87Å; T26-A29 PolarHBondContact O-N 3.04Å; T26-A29 VanDerWaalsContact O-N 3.13Å; T26-A29 WeakPolarHBondContact OG1-CB 3.44Å; T26-A29 PolarHBondContact OG1-N 2.98Å; T26-V30 PolarHBondContact O-N 2.75Å | ||
| 27 | E | 83.6 | Confident | 83.5 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.2 | -35.9 | 174.7 | -70.8 | 177.7 | -172.8 | 0 | 0 | 111.4 | A29 V30 I31 M621 | E27-A29 PolarHBondContact O-N 3.09Å; E27-V30 PolarHBondContact O-N 3.44Å; E27-I31 WeakPolarHBondContact O-CD1 3.43Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.44Å; E27-I31 PolarHBondContact O-N 3.21Å; E27-M621 HydrophobicContact CG-CE 4.08Å; E27-M621 HydrophobicContact CG-CG 3.81Å; E27-M621 HydrophobicContact CG-SD 3.97Å |
| 28 | V | 87.7 | Confident | 83.8 | Confident | 106 Ų | 106 | 44.3 Ų | 44.3 | 64% | 0.642 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.6 | -42.7 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | T26 I31 S32 | T26-V28 PolarHBondContact O-N 2.87Å; V28-I31 PolarHBondContact O-N 3.26Å; V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 2.91Å |
| 29 | A | 86.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E24 T26 E27 S32 N33 | E24-A29 HydrophobicContact CB-CB 4.4Å; T26-A29 PolarHBondContact O-N 3.04Å; T26-A29 VanDerWaalsContact O-N 3.13Å; T26-A29 WeakPolarHBondContact OG1-CB 3.44Å; T26-A29 PolarHBondContact OG1-N 2.98Å; E27-A29 PolarHBondContact O-N 3.09Å; A29-S32 PolarHBondContact O-N 3.49Å; A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 3.15Å |
| 30 | V | 88.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F19 L22 T26 E27 N33 L34 V615 M621 L624 | F19-V30 HydrophobicContact CD2-CG1 4.14Å; F19-V30 HydrophobicContact CE1-CG1 4.28Å; F19-V30 HydrophobicContact CE2-CG1 3.8Å; F19-V30 HydrophobicContact CZ-CG1 3.9Å; L22-V30 HydrophobicContact CD1-CG2 3.77Å; T26-V30 PolarHBondContact O-N 2.75Å; E27-V30 PolarHBondContact O-N 3.44Å; V30-N33 PolarHBondContact O-N 2.96Å; V30-L34 HydrophobicContact CG1-CD1 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 2.93Å; V30-V615 HydrophobicContact CG1-CG1 4.38Å; V30-M621 HydrophobicContact CB-SD 4.36Å; V30-M621 HydrophobicContact CG2-CE 4.32Å; V30-M621 HydrophobicContact CG2-SD 3.82Å; V30-L624 HydrophobicContact CG2-CD2 4.04Å |
| 31 | I | 91 | Very high | 85 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | -179.3 | -63.5 | 161.3 | 0 | 0 | 0 | 110.9 | E27 V28 N33 L34 K35 F606 E608 R612 V615 | E27-I31 WeakPolarHBondContact O-CD1 3.43Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.44Å; E27-I31 PolarHBondContact O-N 3.21Å; V28-I31 PolarHBondContact O-N 3.26Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 2.98Å; I31-L34 PolarHBondContact O-N 3.45Å; I31-K35 WeakPolarHBondContact O-CB 3.46Å; I31-K35 PolarHBondContact O-N 3.06Å; I31-F606 HydrophobicContact CG2-CE1 4.11Å; I31-F606 HydrophobicContact CG2-CZ 4.45Å; I31-E608 HydrophobicContact CG2-CB 4.45Å; I31-E608 HydrophobicContact CG2-CG 4.22Å; I31-R612 HydrophobicContact CD1-CB 3.63Å; I31-R612 HydrophobicContact CD1-CG 3.79Å; I31-V615 HydrophobicContact CG1-CG2 4.37Å |
| 32 | S | 89.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 177 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | V28 A29 K35 K36 | V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 2.91Å; A29-S32 PolarHBondContact O-N 3.49Å; S32-K35 PolarHBondContact O-N 3.01Å; S32-K36 WeakPolarHBondContact O-CG 3.32Å; S32-K36 PolarHBondContact O-N 3.03Å |
| 33 | N | 90.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 176.4 | -167.9 | 50.3 | 0 | 0 | 0 | 112.3 | G15 I16 F19 L22 A29 V30 I31 K35 K36 R37 | G15-N33 VanDerWaalsContact CA-OD1 3.22Å; G15-N33 WeakPolarHBondContact CA-OD1 3.45Å; I16-N33 PolarHBondContact N-OD1 3.39Å; I16-N33 PolarHBondContact O-ND2 3.14Å; F19-N33 HydrophobicContact CE1-CB 4.13Å; F19-N33 VanDerWaalsContact CE1-ND2 3.3Å; F19-N33 WeakPolarHBondContact CE1-ND2 3.34Å; L22-N33 HydrophobicContact CD2-CB 4.24Å; A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 3.15Å; V30-N33 PolarHBondContact O-N 2.96Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 2.98Å; N33-K35 VanDerWaalsContact C-N 3.31Å; N33-K35 PolarHBondContact O-N 3.07Å; N33-K36 PolarHBondContact O-N 3.19Å; N33-R37 WeakPolarHBondContact O-CG 3.18Å; N33-R37 PolarHBondContact O-N 3Å |
| 34 | L | 92.1 | Very high | 88 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 173.8 | -76.7 | 173.5 | 0 | 0 | 0 | 111.6 | F19 V30 I31 R37 F38 V52 V54 L595 F606 I611 V615 | F19-L34 HydrophobicContact CE1-CD2 4.46Å; F19-L34 HydrophobicContact CE1-CG 4.35Å; F19-L34 HydrophobicContact CE2-CD2 4.42Å; F19-L34 HydrophobicContact CZ-CD1 4.25Å; F19-L34 HydrophobicContact CZ-CD2 3.59Å; F19-L34 HydrophobicContact CZ-CG 3.63Å; V30-L34 HydrophobicContact CG1-CD1 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 2.93Å; I31-L34 PolarHBondContact O-N 3.45Å; L34-R37 PolarHBondContact O-N 3.04Å; L34-F38 VanDerWaalsContact O-CB 3.22Å; L34-F38 WeakPolarHBondContact O-CB 3.39Å; L34-F38 PolarHBondContact O-N 2.82Å; L34-V52 HydrophobicContact CD2-CG1 4.24Å; L34-V54 HydrophobicContact CD2-CG2 3.94Å; L34-L595 HydrophobicContact CD1-CD1 3.89Å; L34-F606 HydrophobicContact CB-CE2 4.13Å; L34-F606 HydrophobicContact CB-CZ 3.93Å; L34-I611 HydrophobicContact CD1-CG2 4.11Å; L34-V615 HydrophobicContact CD1-CG2 4.28Å |
| 35 | K | 91.9 | Very high | 89 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 179 | -171.8 | 178.3 | -177.4 | 179.1 | 0 | 112 | I31 S32 N33 F38 S39 F606 E608 | I31-K35 WeakPolarHBondContact O-CB 3.46Å; I31-K35 PolarHBondContact O-N 3.06Å; S32-K35 PolarHBondContact O-N 3.01Å; N33-K35 VanDerWaalsContact C-N 3.31Å; N33-K35 PolarHBondContact O-N 3.07Å; K35-F38 PolarHBondContact O-N 3Å; K35-S39 WeakPolarHBondContact O-CB 3.3Å; K35-S39 PolarHBondContact O-N 2.88Å; K35-F606 HydrophobicContact CB-CD1 4.06Å; K35-F606 HydrophobicContact CB-CE1 3.73Å; K35-F606 HydrophobicContact CB-CE2 4.31Å; K35-F606 HydrophobicContact CB-CG 4.49Å; K35-F606 HydrophobicContact CB-CZ 3.85Å; K35-F606 HydrophobicContact CD-CD1 4.23Å; K35-F606 HydrophobicContact CD-CE1 4.43Å; K35-F606 HydrophobicContact CG-CD1 3.89Å; K35-F606 HydrophobicContact CG-CE1 4.09Å; K35-F606 HydrophobicContact CG-CG 4.22Å; K35-E608 HydrophobicContact CD-CG 4.46Å; K35-E608 WeakPolarHBondContact CD-OE1 3.49Å; K35-E608 WeakPolarHBondContact CE-OE1 3.37Å; K35-E608 IonicContact NZ-OE1 3.87Å; K35-E608 PolarHBondContact NZ-OE1 3.48Å |
| 36 | K | 90.3 | Very high | 89.8 | Confident | 106 Ų | 106 | 43.4 Ų | 43.4 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 176.8 | -74.5 | 177.3 | -176 | -177.8 | 0 | 111.3 | S32 N33 S39 | S32-K36 WeakPolarHBondContact O-CG 3.32Å; S32-K36 PolarHBondContact O-N 3.03Å; N33-K36 PolarHBondContact O-N 3.19Å; K36-S39 PolarHBondContact O-N 3.46Å; K36-S39 PolarHBondContact O-OG 3.5Å |
| 37 | R | 91.4 | Very high | 90 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 179.4 | -69.2 | 178.7 | 68.2 | 66.7 | 5.1 | 112.4 | V14 I16 N33 L34 S39 K40 L42 Y44 T45 | V14-R37 WeakPolarHBondContact O-CG 3.28Å; I16-R37 VanDerWaalsContact O-CD 3.31Å; I16-R37 WeakPolarHBondContact O-CD 3.11Å; N33-R37 WeakPolarHBondContact O-CG 3.18Å; N33-R37 PolarHBondContact O-N 3Å; L34-R37 PolarHBondContact O-N 3.04Å; R37-S39 VanDerWaalsContact C-N 3.28Å; R37-S39 PolarHBondContact O-N 2.86Å; R37-K40 CarbonylContact O-C 3.53Å; R37-K40 PolarHBondContact O-N 3.33Å; R37-L42 CarbonylContact C-O 3.51Å; R37-L42 HydrophobicContact CB-CB 4.19Å; R37-L42 PolarHBondContact O-N 2.92Å; R37-L42 VanDerWaalsContact O-N 3.08Å; R37-Y44 PolarHBondContact NE-O 2.79Å; R37-Y44 PolarHBondContact NH2-O 2.95Å; R37-T45 WeakPolarHBondContact CD-OG1 3.46Å; R37-T45 PolarHBondContact NE-OG1 3.1Å |
| 38 | F | 91.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 178.6 | -172.4 | -101.4 | 0 | 0 | 0 | 112 | L34 K35 K40 D41 V54 F606 | L34-F38 VanDerWaalsContact O-CB 3.22Å; L34-F38 WeakPolarHBondContact O-CB 3.39Å; L34-F38 PolarHBondContact O-N 2.82Å; K35-F38 PolarHBondContact O-N 3Å; F38-K40 PolarHBondContact O-N 2.73Å; F38-D41 PolarHBondContact O-N 2.97Å; F38-V54 HydrophobicContact CD2-CB 4.08Å; F38-V54 HydrophobicContact CD2-CG1 3.59Å; F38-V54 HydrophobicContact CE2-CB 4.42Å; F38-V54 HydrophobicContact CE2-CG1 3.68Å; F38-V54 HydrophobicContact CG-CG1 4.46Å; F38-F606 HydrophobicContact CB-CD2 3.93Å; F38-F606 HydrophobicContact CB-CE2 4.17Å; F38-F606 HydrophobicContact CD1-CB 4.03Å; F38-F606 AromaticContact CD1-CD2 3.7Å; F38-F606 HydrophobicContact CD1-CD2 3.7Å; F38-F606 HydrophobicContact CD1-CG 4.35Å; F38-F606 HydrophobicContact CE1-CB 4.26Å; F38-F606 HydrophobicContact CE1-CD2 4.36Å; F38-F606 AromaticContact CG-CD2 3.84Å; F38-F606 HydrophobicContact CG-CD2 3.84Å; F38-F606 HydrophobicContact CG-CE2 4.44Å |
| 39 | S | 89.6 | Confident | 89.4 | Confident | 84 Ų | 84 | 34.1 Ų | 34.1 | 59% | 0.587 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.4 | 175.5 | 79 | 0 | 0 | 0 | 0 | 114.5 | K35 K36 R37 | K35-S39 WeakPolarHBondContact O-CB 3.3Å; K35-S39 PolarHBondContact O-N 2.88Å; K36-S39 PolarHBondContact O-N 3.46Å; K36-S39 PolarHBondContact O-OG 3.5Å; R37-S39 VanDerWaalsContact C-N 3.28Å; R37-S39 PolarHBondContact O-N 2.86Å |
| 40 | K | 89.1 | Confident | 89.5 | Confident | 123 Ų | 123 | 33 Ų | 33 | 54% | 0.535 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 16.7 | 177.2 | -61.6 | -60.6 | -176.8 | -172.3 | 0 | 112.9 | R37 F38 L42 | R37-K40 CarbonylContact O-C 3.53Å; R37-K40 PolarHBondContact O-N 3.33Å; F38-K40 PolarHBondContact O-N 2.73Å; K40-L42 HydrophobicContact CB-CG 4.49Å; K40-L42 PolarHBondContact O-N 2.95Å |
| 41 | D | 89.6 | Confident | 89.7 | Confident | 70 Ų | 70 | 33 Ų | 33 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.2 | -177 | -63.5 | -32.7 | 0 | 0 | 0 | 114.4 | F38 K58 L60 | F38-D41 PolarHBondContact O-N 2.97Å; D41-K58 WeakPolarHBondContact OD1-CE 3.48Å; D41-K58 IonicContact OD1-NZ 3.67Å; D41-K58 PolarHBondContact OD1-NZ 3.17Å; D41-K58 IonicContact OD2-NZ 3Å; D41-K58 PolarHBondContact OD2-NZ 3.48Å; D41-L60 HydrophobicContact CB-CD2 4.02Å |
| 42 | L | 90.8 | Very high | 89.9 | Confident | 68 Ų | 68 | 32.8 Ų | 32.8 | 36% | 0.356 | 17% | 0.172 | S | C | . | . | trans | -95.7 | 97.7 | 172.9 | -61.7 | -179.2 | 0 | 0 | 0 | 110 | V14 R37 K40 | V14-L42 HydrophobicContact CG1-CD1 3.1Å; V14-L42 HydrophobicContact CG1-CG 4.39Å; R37-L42 CarbonylContact C-O 3.51Å; R37-L42 HydrophobicContact CB-CB 4.19Å; R37-L42 PolarHBondContact O-N 2.92Å; R37-L42 VanDerWaalsContact O-N 3.08Å; K40-L42 HydrophobicContact CB-CG 4.49Å; K40-L42 PolarHBondContact O-N 2.95Å | ||
| 43 | I | 93.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -85.9 | -19.7 | -172.9 | 61.7 | 167.4 | 0 | 0 | 0 | 114.4 | S53 V54 P56 L60 I62 | I43-S53 WeakPolarHBondContact O-CA 3.31Å; I43-V54 VanDerWaalsContact CB-O 3.31Å; I43-V54 WeakPolarHBondContact CB-O 3.47Å; I43-V54 WeakPolarHBondContact CG2-O 3.21Å; I43-V54 PolarHBondContact O-N 3.39Å; I43-P56 HydrophobicContact CD1-CG 4.44Å; I43-P56 HydrophobicContact CG2-CB 3.86Å; I43-P56 HydrophobicContact CG2-CG 4.05Å; I43-L60 HydrophobicContact CD1-CD1 4.23Å; I43-L60 HydrophobicContact CG1-CD1 4.37Å; I43-L60 HydrophobicContact CG2-CD1 3.76Å; I43-I62 HydrophobicContact CD1-CD1 3.74Å; I43-I62 HydrophobicContact CG1-CD1 4.06Å | ||
| 44 | Y | 94.7 | Very high | 90.4 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.8 | -175.8 | -66.3 | -58.2 | 0 | 0 | 0 | 111.9 | R37 I51 V52 S53 I62 Y63 P81 H82 I83 | R37-Y44 PolarHBondContact NE-O 2.79Å; R37-Y44 PolarHBondContact NH2-O 2.95Å; Y44-I51 HydrophobicContact CD1-CG2 3.71Å; Y44-I51 HydrophobicContact CE1-CG2 4.36Å; Y44-V52 CarbonylContact C-O 3.56Å; Y44-V52 VanDerWaalsContact CA-O 3.32Å; Y44-V52 WeakPolarHBondContact CA-O 3.43Å; Y44-S53 WeakPolarHBondContact CE1-OG 3.36Å; Y44-I62 HydrophobicContact CE2-CD1 3.98Å; Y44-Y63 HydrophobicContact CE2-CE1 4.3Å; Y44-Y63 WeakPolarHBondContact OH-CE1 3.41Å; Y44-Y63 PolarHBondContact OH-OH 3.1Å; Y44-P81 VanDerWaalsContact CB-O 3.23Å; Y44-P81 WeakPolarHBondContact CB-O 3.42Å; Y44-H82 AromaticContact CD2-CD2 3.64Å; Y44-H82 AromaticContact CE2-CD2 3.61Å; Y44-H82 AromaticContact CE2-NE2 3.66Å; Y44-I83 HydrophobicContact CE1-CB 4.16Å; Y44-I83 HydrophobicContact CE2-CB 4.49Å; Y44-I83 HydrophobicContact CE2-CG2 4.44Å; Y44-I83 WeakPolarHBondContact OH-CG2 3.45Å |
| 45 | T | 92.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.8 | 175.5 | -47.2 | 0 | 0 | 0 | 0 | 109.7 | Q17 F19 R37 V52 | Q17-T45 VanDerWaalsContact O-CG2 3.3Å; Q17-T45 WeakPolarHBondContact O-CG2 3.26Å; F19-T45 HydrophobicContact CD1-CG2 3.94Å; F19-T45 HydrophobicContact CE1-CG2 3.56Å; F19-T45 HydrophobicContact CE2-CG2 4.24Å; F19-T45 HydrophobicContact CG-CG2 4.43Å; F19-T45 HydrophobicContact CZ-CG2 3.66Å; R37-T45 WeakPolarHBondContact CD-OG1 3.46Å; R37-T45 PolarHBondContact NE-OG1 3.1Å; T45-V52 PolarHBondContact N-O 3.06Å; T45-V52 PolarHBondContact O-N 2.6Å |
| 46 | Y | 89.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 154 | 178.5 | -66.3 | -41.4 | 0 | 0 | 0 | 112.8 | Q17 D18 F19 L50 I51 F76 F77 P81 A85 | Q17-Y46 PolarHBondContact O-N 2.81Å; D18-Y46 CarbonylContact C-O 3.48Å; D18-Y46 WeakPolarHBondContact CA-O 3.32Å; F19-Y46 PolarHBondContact N-O 3.3Å; Y46-L50 CarbonylContact C-O 3.47Å; Y46-L50 WeakPolarHBondContact CA-O 3.44Å; Y46-I51 HydrophobicContact CD1-CD1 4.46Å; Y46-I51 HydrophobicContact CD1-CG1 3.73Å; Y46-I51 HydrophobicContact CE1-CD1 3.89Å; Y46-I51 HydrophobicContact CE1-CG1 3.66Å; Y46-F76 AromaticContact CD1-CE1 3.91Å; Y46-F76 HydrophobicContact CD1-CE1 3.91Å; Y46-F76 AromaticContact CD1-CZ 3.88Å; Y46-F76 HydrophobicContact CD1-CZ 3.88Å; Y46-F76 HydrophobicContact CD2-CE1 4.38Å; Y46-F76 AromaticContact CE1-CE1 3.68Å; Y46-F76 HydrophobicContact CE1-CE1 3.68Å; Y46-F76 HydrophobicContact CE1-CE2 4.23Å; Y46-F76 AromaticContact CE1-CZ 3.47Å; Y46-F76 HydrophobicContact CE1-CZ 3.47Å; Y46-F76 VanDerWaalsContact CE1-CZ 3.47Å; Y46-F76 HydrophobicContact CE2-CE1 4.15Å; Y46-F76 HydrophobicContact CG-CE1 4.27Å; Y46-F76 AromaticContact CZ-CE1 3.77Å; Y46-F76 AromaticContact CZ-CZ 3.9Å; Y46-F76 PolarHBondContact OH-O 3.14Å; Y46-F77 HydrophobicContact CD2-CD1 4.46Å; Y46-P81 HydrophobicContact CD1-CB 3.98Å; Y46-P81 HydrophobicContact CD1-CG 4.48Å; Y46-P81 HydrophobicContact CD2-CB 3.97Å; Y46-P81 HydrophobicContact CD2-CG 3.64Å; Y46-P81 HydrophobicContact CE1-CB 3.88Å; Y46-P81 HydrophobicContact CE2-CB 3.9Å; Y46-P81 HydrophobicContact CE2-CG 3.8Å; Y46-P81 HydrophobicContact CG-CB 4.01Å; Y46-P81 HydrophobicContact CG-CG 4.01Å; Y46-A85 WeakPolarHBondContact OH-CB 3.29Å |
| 47 | I | 86.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 85.6 | 157.1 | -45.9 | -171.9 | 0 | 0 | 0 | 106.3 | D18 F19 V20 T49 L50 V52 L620 H623 L624 | D18-I47 WeakPolarHBondContact OD1-CA 3.45Å; F19-I47 HydrophobicContact CB-CG1 4.24Å; F19-I47 HydrophobicContact CD2-CD1 3.56Å; F19-I47 HydrophobicContact CD2-CG1 3.47Å; F19-I47 VanDerWaalsContact CD2-CG1 3.47Å; F19-I47 HydrophobicContact CE2-CD1 4.11Å; F19-I47 HydrophobicContact CE2-CG1 4.17Å; F19-I47 HydrophobicContact CG-CG1 4.27Å; V20-I47 HydrophobicContact CG2-CG2 4.45Å; I47-T49 PolarHBondContact O-N 3.01Å; I47-T49 VanDerWaalsContact O-N 3.13Å; I47-L50 HydrophobicContact CB-CB 4.33Å; I47-L50 HydrophobicContact CB-CD2 4.13Å; I47-L50 HydrophobicContact CD1-CD2 3.99Å; I47-L50 HydrophobicContact CG1-CD2 3.95Å; I47-L50 PolarHBondContact N-O 3.33Å; I47-L50 PolarHBondContact O-N 3.41Å; I47-L50 VanDerWaalsContact O-N 3.09Å; I47-V52 HydrophobicContact CD1-CG2 3.76Å; I47-V52 HydrophobicContact CG1-CG2 3.92Å; I47-L620 HydrophobicContact CD1-CB 4.27Å; I47-L620 HydrophobicContact CD1-CD2 4Å; I47-H623 WeakPolarHBondContact CG2-ND1 3.45Å; I47-H623 PolarHBondContact O-CE1 3.07Å; I47-H623 VanDerWaalsContact O-CE1 3.24Å; I47-L624 HydrophobicContact CG2-CB 4.21Å; I47-L624 HydrophobicContact CG2-CD1 4.14Å |
| 48 | G | 80.1 | Confident | 90.2 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -116.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D18 F76 | D18-G48 PolarHBondContact OD1-N 3.22Å; D18-G48 VanDerWaalsContact OD1-N 3.07Å; D18-G48 PolarHBondContact OD2-N 3.35Å; G48-F76 WeakPolarHBondContact O-CE1 3.35Å |
| 49 | T | 80.1 | Confident | 89.9 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 23% | 0.233 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -7.3 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | I47 W590 R627 | I47-T49 PolarHBondContact O-N 3.01Å; I47-T49 VanDerWaalsContact O-N 3.13Å; T49-W590 HydrophobicContact CG2-CZ3 4.32Å; T49-R627 PolarHBondContact OG1-NH2 3Å |
| 50 | L | 88.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.8 | 178.7 | 179 | 152.3 | 0 | 0 | 0 | 110.7 | Y46 I47 V52 F418 Y591 R593 L620 H623 | Y46-L50 CarbonylContact C-O 3.47Å; Y46-L50 WeakPolarHBondContact CA-O 3.44Å; I47-L50 HydrophobicContact CB-CB 4.33Å; I47-L50 HydrophobicContact CB-CD2 4.13Å; I47-L50 HydrophobicContact CD1-CD2 3.99Å; I47-L50 HydrophobicContact CG1-CD2 3.95Å; I47-L50 PolarHBondContact N-O 3.33Å; I47-L50 PolarHBondContact O-N 3.41Å; I47-L50 VanDerWaalsContact O-N 3.09Å; L50-V52 HydrophobicContact CD2-CG2 3.74Å; L50-F418 HydrophobicContact CD1-CZ 4.46Å; L50-Y591 HydrophobicContact CD1-CG 4.44Å; L50-R593 HydrophobicContact CD1-CG 3.7Å; L50-R593 HydrophobicContact CD2-CB 4.27Å; L50-R593 HydrophobicContact CD2-CG 3.76Å; L50-R593 HydrophobicContact CG-CG 4.02Å; L50-L620 HydrophobicContact CD2-CD2 4.39Å; L50-H623 WeakPolarHBondContact CB-CE1 3.43Å |
| 51 | I | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.5 | 173.4 | -67.5 | -179.1 | 0 | 0 | 0 | 110.7 | Y44 Y46 H82 L86 Y591 I592 R593 | Y44-I51 HydrophobicContact CD1-CG2 3.71Å; Y44-I51 HydrophobicContact CE1-CG2 4.36Å; Y46-I51 HydrophobicContact CD1-CD1 4.46Å; Y46-I51 HydrophobicContact CD1-CG1 3.73Å; Y46-I51 HydrophobicContact CE1-CD1 3.89Å; Y46-I51 HydrophobicContact CE1-CG1 3.66Å; I51-H82 WeakPolarHBondContact CD1-O 3.45Å; I51-L86 HydrophobicContact CB-CD1 4.39Å; I51-L86 HydrophobicContact CD1-CB 3.46Å; I51-L86 VanDerWaalsContact CD1-CB 3.46Å; I51-L86 HydrophobicContact CD1-CD1 3.84Å; I51-L86 HydrophobicContact CD1-CG 4.31Å; I51-L86 HydrophobicContact CG1-CB 4.36Å; I51-L86 HydrophobicContact CG1-CD1 3.93Å; I51-Y591 PolarHBondContact N-O 3.23Å; I51-I592 HydrophobicContact CB-CG1 4.48Å; I51-I592 CarbonylContact O-C 3.59Å; I51-I592 WeakPolarHBondContact O-CA 3.36Å; I51-R593 PolarHBondContact O-N 2.92Å |
| 52 | V | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.8 | 165.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | F19 L34 Y44 T45 I47 L50 R593 L595 L620 | F19-V52 HydrophobicContact CE2-CG2 4.13Å; L34-V52 HydrophobicContact CD2-CG1 4.24Å; Y44-V52 CarbonylContact C-O 3.56Å; Y44-V52 VanDerWaalsContact CA-O 3.32Å; Y44-V52 WeakPolarHBondContact CA-O 3.43Å; T45-V52 PolarHBondContact N-O 3.06Å; T45-V52 PolarHBondContact O-N 2.6Å; I47-V52 HydrophobicContact CD1-CG2 3.76Å; I47-V52 HydrophobicContact CG1-CG2 3.92Å; L50-V52 HydrophobicContact CD2-CG2 3.74Å; V52-R593 CarbonylContact C-O 3.59Å; V52-R593 WeakPolarHBondContact CA-O 3.46Å; V52-L595 HydrophobicContact CG1-CD1 3.45Å; V52-L595 VanDerWaalsContact CG1-CD1 3.45Å; V52-L595 HydrophobicContact CG1-CG 4.13Å; V52-L620 HydrophobicContact CG1-CD1 4.38Å; V52-L620 HydrophobicContact CG2-CD1 4.18Å; V52-L620 HydrophobicContact CG2-CD2 4.04Å |
| 53 | S | 94.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116 | -177.3 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | I43 Y44 R593 C594 L595 | I43-S53 WeakPolarHBondContact O-CA 3.31Å; Y44-S53 WeakPolarHBondContact CE1-OG 3.36Å; S53-R593 PolarHBondContact N-O 2.99Å; S53-C594 CarbonylContact O-C 3.47Å; S53-C594 VanDerWaalsContact O-CA 3.31Å; S53-C594 WeakPolarHBondContact O-CA 3.47Å; S53-L595 PolarHBondContact O-N 2.89Å |
| 54 | V | 94.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | L34 F38 I43 P56 L595 | L34-V54 HydrophobicContact CD2-CG2 3.94Å; F38-V54 HydrophobicContact CD2-CB 4.08Å; F38-V54 HydrophobicContact CD2-CG1 3.59Å; F38-V54 HydrophobicContact CE2-CB 4.42Å; F38-V54 HydrophobicContact CE2-CG1 3.68Å; F38-V54 HydrophobicContact CG-CG1 4.46Å; I43-V54 VanDerWaalsContact CB-O 3.31Å; I43-V54 WeakPolarHBondContact CB-O 3.47Å; I43-V54 WeakPolarHBondContact CG2-O 3.21Å; I43-V54 PolarHBondContact O-N 3.39Å; V54-P56 VanDerWaalsContact O-CD 3.27Å; V54-P56 WeakPolarHBondContact O-CD 3.46Å; V54-L595 HydrophobicContact CG2-CB 4.22Å; V54-L595 HydrophobicContact CG2-CD1 4.06Å |
| 55 | N | 92.6 | Very high | 88.8 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | trans | -64.4 | 118.3 | -178 | -171.4 | -9.2 | 0 | 0 | 0 | 111.9 | Y57 G110 L595 S597 | N55-Y57 VanDerWaalsContact ND2-CE1 3.34Å; N55-Y57 WeakPolarHBondContact ND2-CE1 3.44Å; N55-Y57 PolarHBondContact OD1-N 3.28Å; N55-G110 PolarHBondContact ND2-O 3.22Å; N55-L595 PolarHBondContact N-O 3.16Å; N55-S597 VanDerWaalsContact O-CB 3.28Å; N55-S597 WeakPolarHBondContact O-CB 3.36Å; N55-S597 PolarHBondContact O-OG 3.02Å | ||
| 56 | P | 91.1 | Very high | 88.5 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | trans | -79 | -16.1 | -179.7 | 31 | -34.5 | 0 | 0 | 0 | 114.8 | I43 V54 K58 L60 | I43-P56 HydrophobicContact CD1-CG 4.44Å; I43-P56 HydrophobicContact CG2-CB 3.86Å; I43-P56 HydrophobicContact CG2-CG 4.05Å; V54-P56 VanDerWaalsContact O-CD 3.27Å; V54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-K58 HydrophobicContact CB-CG 4.09Å; P56-K58 WeakPolarHBondContact CG-O 3.5Å; P56-K58 PolarHBondContact O-N 2.89Å; P56-K58 VanDerWaalsContact O-N 3.1Å; P56-L60 HydrophobicContact CB-CD1 4.08Å; P56-L60 HydrophobicContact CB-CG 4.45Å; P56-L60 HydrophobicContact CG-CD1 4.03Å; P56-L60 HydrophobicContact CG-CG 4.37Å | ||
| 57 | Y | 89.2 | Confident | 88.3 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 52.9 | 22.1 | -170 | -65.6 | -65.4 | 0 | 0 | 0 | 114.9 | N55 K596 S597 N598 K601 | N55-Y57 VanDerWaalsContact ND2-CE1 3.34Å; N55-Y57 WeakPolarHBondContact ND2-CE1 3.44Å; N55-Y57 PolarHBondContact OD1-N 3.28Å; Y57-K596 WeakPolarHBondContact OH-CE 3.49Å; Y57-K596 WeakPolarHBondContact OH-CG 3.33Å; Y57-S597 WeakPolarHBondContact CD2-OG 3.48Å; Y57-S597 WeakPolarHBondContact CE2-OG 3.47Å; Y57-N598 PolarHBondContact OH-O 3.48Å; Y57-K601 HydrophobicContact CD1-CB 4.05Å; Y57-K601 HydrophobicContact CE1-CB 3.91Å; Y57-K601 HydrophobicContact CE1-CG 4.04Å |
| 58 | K | 88.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -147.4 | 156 | 172.6 | 61 | 174.1 | 177.3 | 175.1 | 0 | 110.1 | D41 P56 L60 P603 | D41-K58 WeakPolarHBondContact OD1-CE 3.48Å; D41-K58 IonicContact OD1-NZ 3.67Å; D41-K58 PolarHBondContact OD1-NZ 3.17Å; D41-K58 IonicContact OD2-NZ 3Å; D41-K58 PolarHBondContact OD2-NZ 3.48Å; P56-K58 HydrophobicContact CB-CG 4.09Å; P56-K58 WeakPolarHBondContact CG-O 3.5Å; P56-K58 PolarHBondContact O-N 2.89Å; P56-K58 VanDerWaalsContact O-N 3.1Å; K58-L60 HydrophobicContact CD-CD2 4.35Å; K58-L60 HydrophobicContact CG-CD2 4.3Å; K58-P603 HydrophobicContact CB-CB 4.07Å; K58-P603 HydrophobicContact CD-CB 4.36Å; K58-P603 HydrophobicContact CG-CB 4.32Å |
| 59 | D | 85.9 | Confident | 88.7 | Confident | 170 Ų | 170 | 55.8 Ų | 55.8 | 91% | 0.909 | 28% | 0.275 | S | S | * | . | trans | -73.4 | 130.1 | 173.6 | -67.6 | -40.3 | 0 | 0 | 0 | 110.8 | ||||
| 60 | L | 87.7 | Confident | 89 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -113.5 | 138.5 | 175.8 | -64.2 | 178.2 | 0 | 0 | 0 | 108.9 | D41 I43 P56 K58 I62 | D41-L60 HydrophobicContact CB-CD2 4.02Å; I43-L60 HydrophobicContact CD1-CD1 4.23Å; I43-L60 HydrophobicContact CG1-CD1 4.37Å; I43-L60 HydrophobicContact CG2-CD1 3.76Å; P56-L60 HydrophobicContact CB-CD1 4.08Å; P56-L60 HydrophobicContact CB-CG 4.45Å; P56-L60 HydrophobicContact CG-CD1 4.03Å; P56-L60 HydrophobicContact CG-CG 4.37Å; K58-L60 HydrophobicContact CD-CD2 4.35Å; K58-L60 HydrophobicContact CG-CD2 4.3Å; L60-I62 HydrophobicContact CB-CD1 4.05Å; L60-I62 HydrophobicContact CB-CG1 3.92Å; L60-I62 HydrophobicContact CB-CG2 4.24Å; L60-I62 HydrophobicContact CD1-CD1 4.09Å; L60-I62 PolarHBondContact O-N 2.85Å | ||
| 61 | D | 87.3 | Confident | 88.9 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 47.4 | 177.4 | -168.6 | 23.5 | 0 | 0 | 0 | 112.6 | ||
| 62 | I | 87.6 | Confident | 88.5 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.205 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -12.5 | 179.6 | 62.9 | 179.2 | 0 | 0 | 0 | 112.5 | I43 Y44 L60 Q67 | I43-I62 HydrophobicContact CD1-CD1 3.74Å; I43-I62 HydrophobicContact CG1-CD1 4.06Å; Y44-I62 HydrophobicContact CE2-CD1 3.98Å; L60-I62 HydrophobicContact CB-CD1 4.05Å; L60-I62 HydrophobicContact CB-CG1 3.92Å; L60-I62 HydrophobicContact CB-CG2 4.24Å; L60-I62 HydrophobicContact CD1-CD1 4.09Å; L60-I62 PolarHBondContact O-N 2.85Å; I62-Q67 WeakPolarHBondContact O-CB 3.32Å; I62-Q67 WeakPolarHBondContact O-CG 3.13Å |
| 63 | Y | 88.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 22% | 0.216 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -105.2 | 21.6 | -177.9 | -52.8 | -64.2 | 0 | 0 | 0 | 113.4 | Y44 H82 I83 Y84 K119 | Y44-Y63 HydrophobicContact CE2-CE1 4.3Å; Y44-Y63 WeakPolarHBondContact OH-CE1 3.41Å; Y44-Y63 PolarHBondContact OH-OH 3.1Å; Y63-H82 AromaticContact CE1-NE2 3.99Å; Y63-I83 HydrophobicContact CE1-CG2 4.25Å; Y63-Y84 WeakPolarHBondContact CA-OH 3.41Å; Y63-Y84 WeakPolarHBondContact CB-OH 3.48Å; Y63-Y84 HydrophobicContact CD1-CE2 4.44Å; Y63-Y84 AromaticContact CD1-CZ 3.95Å; Y63-Y84 WeakPolarHBondContact CD1-OH 3.41Å; Y63-K119 HydrophobicContact CD1-CB 4.44Å; Y63-K119 HydrophobicContact CD1-CD 3.97Å; Y63-K119 HydrophobicContact CD1-CG 3.82Å; Y63-K119 HydrophobicContact CD2-CD 4.38Å; Y63-K119 HydrophobicContact CE1-CB 4.39Å; Y63-K119 HydrophobicContact CE1-CD 4.33Å; Y63-K119 HydrophobicContact CE1-CG 3.74Å; Y63-K119 HydrophobicContact CG-CD 3.97Å; Y63-K119 VanDerWaalsContact CG-CE 3.45Å; Y63-K119 HydrophobicContact CG-CG 4.29Å |
| 64 | S | 87.3 | Confident | 86.8 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -74 | 155.4 | 177.7 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | K66 Q67 M68 | S64-K66 PolarHBondContact O-N 3.32Å; S64-K66 VanDerWaalsContact O-N 3.17Å; S64-Q67 WeakPolarHBondContact O-CB 3.38Å; S64-Q67 PolarHBondContact O-N 2.85Å; S64-M68 PolarHBondContact O-N 2.69Å |
| 65 | K | 84.8 | Confident | 85.7 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55 | -35.9 | 176.7 | -172.3 | 175.4 | -179.9 | 178.2 | 0 | 112.4 | Q67 M68 D69 | K65-Q67 VanDerWaalsContact C-N 3.28Å; K65-Q67 PolarHBondContact O-N 2.93Å; K65-M68 WeakPolarHBondContact O-CB 3.25Å; K65-M68 PolarHBondContact O-N 3Å; K65-M68 VanDerWaalsContact O-N 3.15Å; K65-D69 PolarHBondContact O-N 3.07Å |
| 66 | K | 86.6 | Confident | 84.8 | Confident | 169 Ų | 169 | 67.7 Ų | 67.7 | 74% | 0.735 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 175.3 | -66.7 | -179.8 | -179 | 174.3 | 0 | 112.4 | S64 V70 | S64-K66 PolarHBondContact O-N 3.32Å; S64-K66 VanDerWaalsContact O-N 3.17Å; K66-V70 VanDerWaalsContact O-CG2 3.3Å; K66-V70 WeakPolarHBondContact O-CG2 3.21Å; K66-V70 PolarHBondContact O-N 3.28Å |
| 67 | Q | 85.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 176.3 | -68.3 | -68.5 | -13.8 | 0 | 0 | 110.6 | I62 S64 K65 D69 V70 Y71 | I62-Q67 WeakPolarHBondContact O-CB 3.32Å; I62-Q67 WeakPolarHBondContact O-CG 3.13Å; S64-Q67 WeakPolarHBondContact O-CB 3.38Å; S64-Q67 PolarHBondContact O-N 2.85Å; K65-Q67 VanDerWaalsContact C-N 3.28Å; K65-Q67 PolarHBondContact O-N 2.93Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 2.86Å; Q67-V70 WeakPolarHBondContact O-CB 3.49Å; Q67-V70 PolarHBondContact O-N 2.65Å; Q67-V70 VanDerWaalsContact O-N 3.08Å; Q67-Y71 WeakPolarHBondContact O-CD2 3.36Å; Q67-Y71 PolarHBondContact O-N 2.82Å; Q67-Y71 VanDerWaalsContact O-N 3.16Å |
| 68 | M | 87.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.054 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 174.8 | -60.7 | 174.6 | 177.2 | 0 | 0 | 111.5 | S64 K65 V70 Y71 M72 Y84 Q122 Y123 V126 | S64-M68 PolarHBondContact O-N 2.69Å; K65-M68 WeakPolarHBondContact O-CB 3.25Å; K65-M68 PolarHBondContact O-N 3Å; K65-M68 VanDerWaalsContact O-N 3.15Å; M68-V70 PolarHBondContact O-N 3.25Å; M68-Y71 PolarHBondContact O-N 3.43Å; M68-M72 PolarHBondContact O-N 2.88Å; M68-M72 VanDerWaalsContact O-N 3.14Å; M68-Y84 HydrophobicContact CB-CE2 4.5Å; M68-Y84 HydrophobicContact CE-CE1 4.37Å; M68-Y84 HydrophobicContact CE-CE2 4.35Å; M68-Y84 WeakPolarHBondContact CE-OH 3.32Å; M68-Y84 HydrophobicContact CG-CD2 4.04Å; M68-Y84 HydrophobicContact CG-CE2 3.52Å; M68-Q122 HydrophobicContact CE-CB 4.23Å; M68-Y123 HydrophobicContact CB-CD2 4.27Å; M68-Y123 HydrophobicContact CB-CE2 4.33Å; M68-Y123 HydrophobicContact CG-CD2 4.19Å; M68-V126 HydrophobicContact SD-CB 4.05Å; M68-V126 HydrophobicContact SD-CG1 4.25Å; M68-V126 HydrophobicContact SD-CG2 3.84Å |
| 69 | D | 86.4 | Confident | 82.4 | Confident | 90 Ų | 90 | 69 Ų | 69 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -29.4 | 178.6 | -61.5 | -26.8 | 0 | 0 | 0 | 112.9 | K65 Q67 | K65-D69 PolarHBondContact O-N 3.07Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 2.86Å |
| 70 | V | 86.5 | Confident | 82.3 | Confident | 74 Ų | 74 | 64 Ų | 64 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.3 | -37.4 | 177.4 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | K66 Q67 M68 V74 L79 | K66-V70 VanDerWaalsContact O-CG2 3.3Å; K66-V70 WeakPolarHBondContact O-CG2 3.21Å; K66-V70 PolarHBondContact O-N 3.28Å; Q67-V70 WeakPolarHBondContact O-CB 3.49Å; Q67-V70 PolarHBondContact O-N 2.65Å; Q67-V70 VanDerWaalsContact O-N 3.08Å; M68-V70 PolarHBondContact O-N 3.25Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.31Å; V70-L79 HydrophobicContact CG1-CD1 3.93Å; V70-L79 HydrophobicContact CG1-CD2 4.25Å; V70-L79 WeakPolarHBondContact O-CD1 3.35Å |
| 71 | Y | 86.5 | Confident | 82.4 | Confident | 15 Ų | 15 | 63 Ų | 63 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -84.3 | -13 | -178.3 | -80.2 | -88.6 | 0 | 0 | 0 | 113.6 | Q67 M68 G73 L79 P80 H82 A85 | Q67-Y71 WeakPolarHBondContact O-CD2 3.36Å; Q67-Y71 PolarHBondContact O-N 2.82Å; Q67-Y71 VanDerWaalsContact O-N 3.16Å; M68-Y71 PolarHBondContact O-N 3.43Å; Y71-G73 PolarHBondContact O-N 2.81Å; Y71-L79 HydrophobicContact CD1-CB 4.04Å; Y71-L79 HydrophobicContact CD1-CD1 3.56Å; Y71-L79 HydrophobicContact CD1-CG 4.48Å; Y71-L79 HydrophobicContact CD2-CD1 4.32Å; Y71-L79 HydrophobicContact CE1-CB 3.46Å; Y71-L79 VanDerWaalsContact CE1-CB 3.46Å; Y71-L79 HydrophobicContact CE1-CD1 3.78Å; Y71-L79 HydrophobicContact CE1-CG 4.28Å; Y71-L79 HydrophobicContact CE2-CD1 4.5Å; Y71-L79 HydrophobicContact CG-CD1 3.86Å; Y71-P80 WeakPolarHBondContact CE1-O 3.48Å; Y71-P80 PolarHBondContact OH-O 3.5Å; Y71-H82 HydrophobicContact CD1-CB 4.31Å; Y71-H82 HydrophobicContact CE1-CB 3.56Å; Y71-H82 HydrophobicContact CE2-CB 4.04Å; Y71-H82 VanDerWaalsContact CZ-CB 3.41Å; Y71-H82 WeakPolarHBondContact OH-CB 3.42Å; Y71-A85 HydrophobicContact CD1-CB 3.83Å; Y71-A85 HydrophobicContact CE1-CB 4.02Å |
| 72 | M | 84.7 | Confident | 82.6 | Confident | 72 Ų | 72 | 57 Ų | 57 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 121.2 | -177.3 | -168.7 | -178.8 | -59.6 | 0 | 0 | 112.6 | M68 V74 Y123 | M68-M72 PolarHBondContact O-N 2.88Å; M68-M72 VanDerWaalsContact O-N 3.14Å; M72-V74 VanDerWaalsContact C-N 3.28Å; M72-V74 PolarHBondContact O-N 2.89Å; M72-Y123 WeakPolarHBondContact CA-OH 3.03Å |
| 73 | G | 77.1 | Confident | 82.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 19.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y71 D88 | Y71-G73 PolarHBondContact O-N 2.81Å; G73-D88 PolarHBondContact N-OD1 3Å; G73-D88 PolarHBondContact N-OD2 3.11Å; G73-D88 VanDerWaalsContact N-OD2 3.16Å |
| 74 | V | 76.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | trans | -106.2 | 140.8 | -178.8 | -179 | 0 | 0 | 0 | 0 | 109.9 | V70 M72 E78 L79 | V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.31Å; M72-V74 VanDerWaalsContact C-N 3.28Å; M72-V74 PolarHBondContact O-N 2.89Å; V74-E78 HydrophobicContact CG1-CB 3.77Å; V74-E78 WeakPolarHBondContact CG1-OE2 3.39Å; V74-L79 HydrophobicContact CB-CD1 3.96Å; V74-L79 HydrophobicContact CG1-CD1 3.65Å; V74-L79 HydrophobicContact CG1-CG 3.75Å; V74-L79 HydrophobicContact CG2-CD1 4.19Å | ||
| 75 | N | 71.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | trans | -66.7 | 146 | -179.8 | -64 | -62.4 | 0 | 0 | 0 | 111.3 | F77 E78 R643 | N75-F77 VanDerWaalsContact C-N 3.29Å; N75-F77 PolarHBondContact O-N 3.46Å; N75-E78 HydrophobicContact CB-CG 3.95Å; N75-E78 PolarHBondContact ND2-OE1 2.84Å; N75-E78 WeakPolarHBondContact O-CB 3.15Å; N75-E78 PolarHBondContact O-N 2.88Å; N75-R643 PolarHBondContact ND2-NH1 3.38Å | ||
| 76 | F | 73.6 | Confident | 83.6 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -37 | -170.5 | -170 | -94.9 | 0 | 0 | 0 | 116.2 | Y46 G48 A85 L86 N89 | Y46-F76 AromaticContact CD1-CE1 3.91Å; Y46-F76 HydrophobicContact CD1-CE1 3.91Å; Y46-F76 AromaticContact CD1-CZ 3.88Å; Y46-F76 HydrophobicContact CD1-CZ 3.88Å; Y46-F76 HydrophobicContact CD2-CE1 4.38Å; Y46-F76 AromaticContact CE1-CE1 3.68Å; Y46-F76 HydrophobicContact CE1-CE1 3.68Å; Y46-F76 HydrophobicContact CE1-CE2 4.23Å; Y46-F76 AromaticContact CE1-CZ 3.47Å; Y46-F76 HydrophobicContact CE1-CZ 3.47Å; Y46-F76 VanDerWaalsContact CE1-CZ 3.47Å; Y46-F76 HydrophobicContact CE2-CE1 4.15Å; Y46-F76 HydrophobicContact CG-CE1 4.27Å; Y46-F76 AromaticContact CZ-CE1 3.77Å; Y46-F76 AromaticContact CZ-CZ 3.9Å; Y46-F76 PolarHBondContact OH-O 3.14Å; G48-F76 WeakPolarHBondContact O-CE1 3.35Å; F76-A85 HydrophobicContact CD2-CB 4.26Å; F76-A85 WeakPolarHBondContact CD2-O 3.37Å; F76-A85 HydrophobicContact CE2-CB 4.47Å; F76-L86 HydrophobicContact CE2-CB 3.94Å; F76-N89 HydrophobicContact CB-CB 4.45Å; F76-N89 HydrophobicContact CD2-CB 3.86Å |
| 77 | F | 70.2 | Confident | 83.9 | Confident | 56 Ų | 56 | 36.5 Ų | 36.5 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.2 | -177.2 | -64 | -72.6 | 0 | 0 | 0 | 114.5 | Y46 N75 | Y46-F77 HydrophobicContact CD2-CD1 4.46Å; N75-F77 VanDerWaalsContact C-N 3.29Å; N75-F77 PolarHBondContact O-N 3.46Å |
| 78 | E | 69.9 | Low | 84.1 | Confident | 85 Ų | 85 | 33.4 Ų | 33.4 | 40% | 0.397 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.5 | 179.4 | -72.6 | 179.2 | -172.6 | 0 | 0 | 112.2 | V74 N75 R643 | V74-E78 HydrophobicContact CG1-CB 3.77Å; V74-E78 WeakPolarHBondContact CG1-OE2 3.39Å; N75-E78 HydrophobicContact CB-CG 3.95Å; N75-E78 PolarHBondContact ND2-OE1 2.84Å; N75-E78 WeakPolarHBondContact O-CB 3.15Å; N75-E78 PolarHBondContact O-N 2.88Å; E78-R643 IonicContact OE1-CZ 3.47Å; E78-R643 IonicContact OE1-NH1 3.27Å; E78-R643 PolarHBondContact OE1-NH1 3.31Å; E78-R643 IonicContact OE1-NH2 2.73Å; E78-R643 PolarHBondContact OE1-NH2 3.22Å |
| 79 | L | 79 | Confident | 84.1 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -110.4 | 159.6 | -178.6 | -69.4 | 173.7 | 0 | 0 | 0 | 112.2 | V70 Y71 V74 | V70-L79 HydrophobicContact CG1-CD1 3.93Å; V70-L79 HydrophobicContact CG1-CD2 4.25Å; V70-L79 WeakPolarHBondContact O-CD1 3.35Å; Y71-L79 HydrophobicContact CD1-CB 4.04Å; Y71-L79 HydrophobicContact CD1-CD1 3.56Å; Y71-L79 HydrophobicContact CD1-CG 4.48Å; Y71-L79 HydrophobicContact CD2-CD1 4.32Å; Y71-L79 HydrophobicContact CE1-CB 3.46Å; Y71-L79 VanDerWaalsContact CE1-CB 3.46Å; Y71-L79 HydrophobicContact CE1-CD1 3.78Å; Y71-L79 HydrophobicContact CE1-CG 4.28Å; Y71-L79 HydrophobicContact CE2-CD1 4.5Å; Y71-L79 HydrophobicContact CG-CD1 3.86Å; V74-L79 HydrophobicContact CB-CD1 3.96Å; V74-L79 HydrophobicContact CG1-CD1 3.65Å; V74-L79 HydrophobicContact CG1-CG 3.75Å; V74-L79 HydrophobicContact CG2-CD1 4.19Å |
| 80 | P | 83.6 | Confident | 84.2 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 41% | 0.409 | 18% | 0.175 | S | C | . | . | trans | -56.9 | 154.1 | 175.6 | -23.5 | 33.6 | 0 | 0 | 0 | 112.3 | Y71 H82 | Y71-P80 WeakPolarHBondContact CE1-O 3.48Å; Y71-P80 PolarHBondContact OH-O 3.5Å; P80-H82 PolarHBondContact O-N 2.95Å | ||
| 81 | P | 89.6 | Confident | 84.3 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -52.2 | 123.1 | -179.6 | -23.8 | 29.4 | 0 | 0 | 0 | 113.3 | Q17 Y44 Y46 | Q17-P81 HydrophobicContact CB-CG 3.74Å; Q17-P81 HydrophobicContact CG-CG 4.26Å; Q17-P81 VanDerWaalsContact O-CG 3.29Å; Q17-P81 WeakPolarHBondContact O-CG 3.25Å; Y44-P81 VanDerWaalsContact CB-O 3.23Å; Y44-P81 WeakPolarHBondContact CB-O 3.42Å; Y46-P81 HydrophobicContact CD1-CB 3.98Å; Y46-P81 HydrophobicContact CD1-CG 4.48Å; Y46-P81 HydrophobicContact CD2-CB 3.97Å; Y46-P81 HydrophobicContact CD2-CG 3.64Å; Y46-P81 HydrophobicContact CE1-CB 3.88Å; Y46-P81 HydrophobicContact CE2-CB 3.9Å; Y46-P81 HydrophobicContact CE2-CG 3.8Å; Y46-P81 HydrophobicContact CG-CB 4.01Å; Y46-P81 HydrophobicContact CG-CG 4.01Å |
| 82 | H | 92.3 | Very high | 84.2 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | trans | -155.1 | 150 | 178.1 | -160.6 | -96 | 0 | 0 | 0 | 111.6 | Y44 I51 Y63 Y71 P80 Y84 A85 | Y44-H82 AromaticContact CD2-CD2 3.64Å; Y44-H82 AromaticContact CE2-CD2 3.61Å; Y44-H82 AromaticContact CE2-NE2 3.66Å; I51-H82 WeakPolarHBondContact CD1-O 3.45Å; Y63-H82 AromaticContact CE1-NE2 3.99Å; Y71-H82 HydrophobicContact CD1-CB 4.31Å; Y71-H82 HydrophobicContact CE1-CB 3.56Å; Y71-H82 HydrophobicContact CE2-CB 4.04Å; Y71-H82 VanDerWaalsContact CZ-CB 3.41Å; Y71-H82 WeakPolarHBondContact OH-CB 3.42Å; P80-H82 PolarHBondContact O-N 2.95Å; H82-Y84 AromaticContact CE1-CD2 3.23Å; H82-Y84 WeakPolarHBondContact CE1-CD2 3.37Å; H82-Y84 AromaticContact CE1-CE2 3.48Å; H82-Y84 VanDerWaalsContact CE1-CE2 3.48Å; H82-Y84 WeakPolarHBondContact CE1-CE2 3.48Å; H82-Y84 AromaticContact CE1-CG 3.56Å; H82-Y84 WeakPolarHBondContact ND1-CB 3.39Å; H82-Y84 AromaticContact ND1-CD2 3.32Å; H82-Y84 VanDerWaalsContact ND1-CD2 3.32Å; H82-Y84 WeakPolarHBondContact ND1-CD2 3.37Å; H82-Y84 AromaticContact ND1-CG 3.33Å; H82-Y84 VanDerWaalsContact ND1-CG 3.33Å; H82-Y84 PolarHBondContact ND1-N 3.48Å; H82-Y84 VanDerWaalsContact ND1-N 3.16Å; H82-Y84 PolarHBondContact O-N 2.93Å; H82-A85 WeakPolarHBondContact O-CB 3.45Å; H82-A85 PolarHBondContact O-N 2.92Å; H82-A85 VanDerWaalsContact O-N 3.11Å | ||
| 83 | I | 93.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -30.6 | 178.6 | -162.4 | 168.1 | 0 | 0 | 0 | 112.9 | Y44 Y63 L86 A87 A116 K119 I120 I592 | Y44-I83 HydrophobicContact CE1-CB 4.16Å; Y44-I83 HydrophobicContact CE2-CB 4.49Å; Y44-I83 HydrophobicContact CE2-CG2 4.44Å; Y44-I83 WeakPolarHBondContact OH-CG2 3.45Å; Y63-I83 HydrophobicContact CE1-CG2 4.25Å; I83-L86 PolarHBondContact O-N 3.41Å; I83-A87 PolarHBondContact O-N 3.05Å; I83-A116 HydrophobicContact CD1-CB 3.62Å; I83-A116 WeakPolarHBondContact CD1-O 3.43Å; I83-K119 HydrophobicContact CG2-CB 4.35Å; I83-I120 HydrophobicContact CD1-CD1 3.85Å; I83-I120 HydrophobicContact CD1-CG1 3.72Å; I83-I120 HydrophobicContact CG1-CD1 4.03Å; I83-I120 HydrophobicContact CG1-CG1 3.74Å; I83-I592 HydrophobicContact CD1-CD1 3.84Å; I83-I592 HydrophobicContact CG1-CD1 3.82Å |
| 84 | Y | 92.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -33.5 | 176.3 | -61.7 | -24.7 | 0 | 0 | 0 | 112.8 | Y63 M68 H82 L86 A87 D88 K119 Y123 | Y63-Y84 WeakPolarHBondContact CA-OH 3.41Å; Y63-Y84 WeakPolarHBondContact CB-OH 3.48Å; Y63-Y84 HydrophobicContact CD1-CE2 4.44Å; Y63-Y84 AromaticContact CD1-CZ 3.95Å; Y63-Y84 WeakPolarHBondContact CD1-OH 3.41Å; M68-Y84 HydrophobicContact CB-CE2 4.5Å; M68-Y84 HydrophobicContact CE-CE1 4.37Å; M68-Y84 HydrophobicContact CE-CE2 4.35Å; M68-Y84 WeakPolarHBondContact CE-OH 3.32Å; M68-Y84 HydrophobicContact CG-CD2 4.04Å; M68-Y84 HydrophobicContact CG-CE2 3.52Å; H82-Y84 AromaticContact CE1-CD2 3.23Å; H82-Y84 WeakPolarHBondContact CE1-CD2 3.37Å; H82-Y84 AromaticContact CE1-CE2 3.48Å; H82-Y84 VanDerWaalsContact CE1-CE2 3.48Å; H82-Y84 WeakPolarHBondContact CE1-CE2 3.48Å; H82-Y84 AromaticContact CE1-CG 3.56Å; H82-Y84 WeakPolarHBondContact ND1-CB 3.39Å; H82-Y84 AromaticContact ND1-CD2 3.32Å; H82-Y84 VanDerWaalsContact ND1-CD2 3.32Å; H82-Y84 WeakPolarHBondContact ND1-CD2 3.37Å; H82-Y84 AromaticContact ND1-CG 3.33Å; H82-Y84 VanDerWaalsContact ND1-CG 3.33Å; H82-Y84 PolarHBondContact ND1-N 3.48Å; H82-Y84 VanDerWaalsContact ND1-N 3.16Å; H82-Y84 PolarHBondContact O-N 2.93Å; Y84-L86 VanDerWaalsContact C-N 3.29Å; Y84-L86 PolarHBondContact O-N 2.85Å; Y84-A87 PolarHBondContact O-N 2.93Å; Y84-D88 VanDerWaalsContact O-CB 3.27Å; Y84-D88 WeakPolarHBondContact O-CB 3.04Å; Y84-D88 PolarHBondContact O-N 2.94Å; Y84-K119 HydrophobicContact CE1-CB 4.33Å; Y84-Y123 AromaticContact CD1-CD2 3.42Å; Y84-Y123 HydrophobicContact CD1-CD2 3.42Å; Y84-Y123 VanDerWaalsContact CD1-CD2 3.42Å; Y84-Y123 HydrophobicContact CD1-CE2 4.31Å; Y84-Y123 AromaticContact CD1-CG 3.76Å; Y84-Y123 HydrophobicContact CD1-CG 3.76Å; Y84-Y123 HydrophobicContact CD2-CD2 4.14Å; Y84-Y123 HydrophobicContact CE1-CD2 4.04Å; Y84-Y123 HydrophobicContact CE1-CG 4.34Å; Y84-Y123 AromaticContact CG-CD2 3.49Å; Y84-Y123 HydrophobicContact CG-CD2 3.49Å; Y84-Y123 VanDerWaalsContact CG-CD2 3.49Å; Y84-Y123 AromaticContact CG-CE2 3.96Å; Y84-Y123 HydrophobicContact CG-CE2 3.96Å; Y84-Y123 HydrophobicContact CG-CG 4.25Å |
| 85 | A | 90.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y46 Y71 F76 H82 N89 | Y46-A85 WeakPolarHBondContact OH-CB 3.29Å; Y71-A85 HydrophobicContact CD1-CB 3.83Å; Y71-A85 HydrophobicContact CE1-CB 4.02Å; F76-A85 HydrophobicContact CD2-CB 4.26Å; F76-A85 WeakPolarHBondContact CD2-O 3.37Å; F76-A85 HydrophobicContact CE2-CB 4.47Å; H82-A85 WeakPolarHBondContact O-CB 3.45Å; H82-A85 PolarHBondContact O-N 2.92Å; H82-A85 VanDerWaalsContact O-N 3.11Å; A85-N89 VanDerWaalsContact O-CB 3.25Å; A85-N89 WeakPolarHBondContact O-CB 3.46Å; A85-N89 PolarHBondContact O-N 3.49Å |
| 86 | L | 92.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 175.1 | -176.8 | 154.8 | 0 | 0 | 0 | 112 | I51 F76 I83 Y84 D88 N89 A90 I103 W590 I592 | I51-L86 HydrophobicContact CB-CD1 4.39Å; I51-L86 HydrophobicContact CD1-CB 3.46Å; I51-L86 VanDerWaalsContact CD1-CB 3.46Å; I51-L86 HydrophobicContact CD1-CD1 3.84Å; I51-L86 HydrophobicContact CD1-CG 4.31Å; I51-L86 HydrophobicContact CG1-CB 4.36Å; I51-L86 HydrophobicContact CG1-CD1 3.93Å; F76-L86 HydrophobicContact CE2-CB 3.94Å; I83-L86 PolarHBondContact O-N 3.41Å; Y84-L86 VanDerWaalsContact C-N 3.29Å; Y84-L86 PolarHBondContact O-N 2.85Å; L86-D88 PolarHBondContact O-N 3.27Å; L86-N89 PolarHBondContact O-N 2.94Å; L86-A90 WeakPolarHBondContact O-CB 3.38Å; L86-A90 PolarHBondContact O-N 3.39Å; L86-I103 HydrophobicContact CD2-CD1 3.67Å; L86-I103 HydrophobicContact CD2-CG1 3.93Å; L86-I103 HydrophobicContact CD2-CG2 3.88Å; L86-W590 HydrophobicContact CD1-CB 4.44Å; L86-W590 HydrophobicContact CD2-CB 4.07Å; L86-W590 HydrophobicContact CG-CB 4.37Å; L86-W590 HydrophobicContact CG-CE3 4.26Å; L86-I592 HydrophobicContact CD1-CD1 4.43Å; L86-I592 HydrophobicContact CD1-CG1 3.89Å; L86-I592 HydrophobicContact CD2-CD1 4.28Å |
| 87 | A | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I83 Y84 A90 Y91 I120 Y123 Y124 | I83-A87 PolarHBondContact O-N 3.05Å; Y84-A87 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 2.92Å; A87-Y91 WeakPolarHBondContact O-CB 3.5Å; A87-Y91 PolarHBondContact O-N 3.26Å; A87-I120 HydrophobicContact CB-CG2 4.17Å; A87-Y123 HydrophobicContact CB-CD1 3.51Å; A87-Y123 HydrophobicContact CB-CE1 4.07Å; A87-Y123 HydrophobicContact CB-CG 4.1Å; A87-Y124 WeakPolarHBondContact CA-OH 3.45Å; A87-Y124 HydrophobicContact CB-CE1 3.96Å; A87-Y124 VanDerWaalsContact O-CE1 3.24Å; A87-Y124 WeakPolarHBondContact O-CE1 3.43Å; A87-Y124 PolarHBondContact O-OH 3.4Å |
| 88 | D | 89.9 | Confident | 86 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 178.3 | -164.9 | 69.7 | 0 | 0 | 0 | 112.5 | G73 Y84 L86 Y91 H92 Y123 | G73-D88 PolarHBondContact N-OD1 3Å; G73-D88 PolarHBondContact N-OD2 3.11Å; G73-D88 VanDerWaalsContact N-OD2 3.16Å; Y84-D88 VanDerWaalsContact O-CB 3.27Å; Y84-D88 WeakPolarHBondContact O-CB 3.04Å; Y84-D88 PolarHBondContact O-N 2.94Å; L86-D88 PolarHBondContact O-N 3.27Å; D88-Y91 PolarHBondContact O-N 3.07Å; D88-H92 VanDerWaalsContact CG-CE1 3.49Å; D88-H92 VanDerWaalsContact CG-ND1 3.34Å; D88-H92 PolarHBondContact O-N 3.5Å; D88-H92 PolarHBondContact O-ND1 3.47Å; D88-H92 IonicContact OD1-CE1 3.07Å; D88-H92 PolarHBondContact OD1-CE1 3.2Å; D88-H92 VanDerWaalsContact OD1-CE1 3.27Å; D88-H92 IonicContact OD1-ND1 2.74Å; D88-H92 PolarHBondContact OD1-ND1 3.38Å; D88-H92 IonicContact OD2-CE1 3.88Å; D88-H92 PolarHBondContact OD2-CE1 3.39Å; D88-H92 IonicContact OD2-ND1 2.84Å; D88-H92 PolarHBondContact OD2-ND1 2.93Å; D88-Y123 HydrophobicContact CB-CE1 3.87Å; D88-Y123 VanDerWaalsContact CB-OH 3.28Å; D88-Y123 WeakPolarHBondContact CB-OH 3.39Å; D88-Y123 VanDerWaalsContact CG-OH 3.24Å; D88-Y123 PolarHBondContact OD1-OH 3.44Å |
| 89 | N | 87.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 22% | 0.219 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -41.6 | -180 | -162.9 | 23 | 0 | 0 | 0 | 111.3 | F76 A85 L86 Y91 H92 T93 W590 | F76-N89 HydrophobicContact CB-CB 4.45Å; F76-N89 HydrophobicContact CD2-CB 3.86Å; A85-N89 VanDerWaalsContact O-CB 3.25Å; A85-N89 WeakPolarHBondContact O-CB 3.46Å; A85-N89 PolarHBondContact O-N 3.49Å; L86-N89 PolarHBondContact O-N 2.94Å; N89-Y91 VanDerWaalsContact C-N 3.26Å; N89-Y91 PolarHBondContact O-N 2.83Å; N89-H92 PolarHBondContact O-N 2.91Å; N89-T93 WeakPolarHBondContact O-CB 3.27Å; N89-T93 PolarHBondContact O-N 3.35Å; N89-T93 PolarHBondContact O-OG1 3.13Å; N89-W590 HydrophobicContact CB-CH2 4.29Å; N89-W590 VanDerWaalsContact ND2-CH2 3.32Å; N89-W590 WeakPolarHBondContact ND2-CH2 3.21Å |
| 90 | A | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L86 A87 M94 I103 W590 | L86-A90 WeakPolarHBondContact O-CB 3.38Å; L86-A90 PolarHBondContact O-N 3.39Å; A87-A90 PolarHBondContact O-N 2.92Å; A90-M94 VanDerWaalsContact O-CB 3.31Å; A90-M94 WeakPolarHBondContact O-CB 3.43Å; A90-M94 PolarHBondContact O-N 3.41Å; A90-M94 VanDerWaalsContact O-N 3.15Å; A90-I103 HydrophobicContact CB-CD1 4.41Å; A90-W590 HydrophobicContact CB-CD2 4.25Å; A90-W590 HydrophobicContact CB-CG 4.2Å |
| 91 | Y | 87.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.5 | -46.1 | 176.5 | 178.8 | -107.2 | 0 | 0 | 0 | 112.8 | A87 D88 N89 M94 L95 F173 G177 I386 | A87-Y91 WeakPolarHBondContact O-CB 3.5Å; A87-Y91 PolarHBondContact O-N 3.26Å; D88-Y91 PolarHBondContact O-N 3.07Å; N89-Y91 VanDerWaalsContact C-N 3.26Å; N89-Y91 PolarHBondContact O-N 2.83Å; Y91-M94 HydrophobicContact CD2-CE 3.84Å; Y91-M94 HydrophobicContact CE2-CE 4Å; Y91-M94 WeakPolarHBondContact O-CB 3.43Å; Y91-M94 PolarHBondContact O-N 3.49Å; Y91-L95 HydrophobicContact CD1-CD1 4.02Å; Y91-L95 HydrophobicContact CE1-CD1 3.51Å; Y91-L95 HydrophobicContact CE1-CG 4.44Å; Y91-L95 HydrophobicContact CE2-CD1 4.24Å; Y91-L95 HydrophobicContact CE2-CG 4.45Å; Y91-L95 WeakPolarHBondContact O-CG 3.29Å; Y91-L95 PolarHBondContact O-N 3.22Å; Y91-F173 HydrophobicContact CD2-CD1 4.43Å; Y91-F173 HydrophobicContact CD2-CE1 4.1Å; Y91-F173 HydrophobicContact CD2-CZ 4.39Å; Y91-F173 AromaticContact CE2-CD1 3.88Å; Y91-F173 HydrophobicContact CE2-CD1 3.88Å; Y91-F173 AromaticContact CE2-CE1 3.82Å; Y91-F173 HydrophobicContact CE2-CE1 3.82Å; Y91-G177 WeakPolarHBondContact CE2-O 3.45Å; Y91-G177 PolarHBondContact OH-O 2.79Å; Y91-I386 HydrophobicContact CD2-CD1 4.36Å |
| 92 | H | 84.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 32.2 Ų | 32.2 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.5 | -79.2 | 98.2 | 0 | 0 | 0 | 112.9 | D88 N89 M94 L95 T96 | D88-H92 VanDerWaalsContact CG-CE1 3.49Å; D88-H92 VanDerWaalsContact CG-ND1 3.34Å; D88-H92 PolarHBondContact O-N 3.5Å; D88-H92 PolarHBondContact O-ND1 3.47Å; D88-H92 IonicContact OD1-CE1 3.07Å; D88-H92 PolarHBondContact OD1-CE1 3.2Å; D88-H92 VanDerWaalsContact OD1-CE1 3.27Å; D88-H92 IonicContact OD1-ND1 2.74Å; D88-H92 PolarHBondContact OD1-ND1 3.38Å; D88-H92 IonicContact OD2-CE1 3.88Å; D88-H92 PolarHBondContact OD2-CE1 3.39Å; D88-H92 IonicContact OD2-ND1 2.84Å; D88-H92 PolarHBondContact OD2-ND1 2.93Å; N89-H92 PolarHBondContact O-N 2.91Å; H92-M94 VanDerWaalsContact C-N 3.35Å; H92-L95 PolarHBondContact O-N 3.49Å; H92-T96 WeakPolarHBondContact O-CB 3.31Å; H92-T96 PolarHBondContact O-N 3.15Å; H92-T96 PolarHBondContact O-OG1 2.96Å |
| 93 | T | 82.8 | Confident | 87.7 | Confident | 21 Ų | 21 | 31.8 Ų | 31.8 | 13% | 0.129 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | N89 L95 T96 E97 H101 | N89-T93 WeakPolarHBondContact O-CB 3.27Å; N89-T93 PolarHBondContact O-N 3.35Å; N89-T93 PolarHBondContact O-OG1 3.13Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.38Å; T93-T96 PolarHBondContact O-N 3.14Å; T93-T96 VanDerWaalsContact O-N 3.16Å; T93-E97 HydrophobicContact CG2-CG 4Å; T93-E97 WeakPolarHBondContact O-CB 3.42Å; T93-E97 PolarHBondContact O-N 2.93Å; T93-H101 VanDerWaalsContact CG2-CE1 3.49Å; T93-H101 WeakPolarHBondContact CG2-CE1 3.13Å |
| 94 | M | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -46.1 | 174.9 | -176.1 | -162.1 | 71 | 0 | 0 | 111.9 | A90 Y91 H92 F98 N99 H101 F173 T384 I386 | A90-M94 VanDerWaalsContact O-CB 3.31Å; A90-M94 WeakPolarHBondContact O-CB 3.43Å; A90-M94 PolarHBondContact O-N 3.41Å; A90-M94 VanDerWaalsContact O-N 3.15Å; Y91-M94 HydrophobicContact CD2-CE 3.84Å; Y91-M94 HydrophobicContact CE2-CE 4Å; Y91-M94 WeakPolarHBondContact O-CB 3.43Å; Y91-M94 PolarHBondContact O-N 3.49Å; H92-M94 VanDerWaalsContact C-N 3.35Å; M94-F98 VanDerWaalsContact O-CA 3.24Å; M94-F98 WeakPolarHBondContact O-CA 3.21Å; M94-F98 PolarHBondContact O-N 3.32Å; M94-N99 WeakPolarHBondContact CG-O 3.36Å; M94-H101 VanDerWaalsContact CA-NE2 3.27Å; M94-H101 WeakPolarHBondContact CA-NE2 3.45Å; M94-H101 VanDerWaalsContact CB-CD2 3.44Å; M94-H101 WeakPolarHBondContact CB-CD2 3.16Å; M94-H101 PolarHBondContact N-NE2 3.38Å; M94-F173 HydrophobicContact CE-CB 3.6Å; M94-F173 HydrophobicContact CE-CD1 4.14Å; M94-F173 HydrophobicContact CE-CD2 3.67Å; M94-F173 HydrophobicContact CE-CE2 4.36Å; M94-F173 HydrophobicContact CE-CG 3.53Å; M94-F173 HydrophobicContact SD-CB 4.12Å; M94-F173 HydrophobicContact SD-CD2 3.46Å; M94-F173 WeakPolarHBondContact SD-CD2 3.4Å; M94-F173 HydrophobicContact SD-CE2 4.09Å; M94-F173 HydrophobicContact SD-CG 3.96Å; M94-T384 HydrophobicContact CG-CG2 4.22Å; M94-T384 PolarHBondContact SD-OG1 2.92Å; M94-I386 HydrophobicContact CE-CD1 4.41Å; M94-I386 HydrophobicContact CG-CG1 4.45Å; M94-I386 HydrophobicContact SD-CD1 3.74Å; M94-I386 HydrophobicContact SD-CG1 3.45Å; M94-I386 WeakPolarHBondContact SD-CG1 3.2Å |
| 95 | L | 82.4 | Confident | 87.4 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.5 | -33.3 | 178.8 | -66.3 | 178.5 | 0 | 0 | 0 | 113.4 | Y91 H92 T93 | Y91-L95 HydrophobicContact CD1-CD1 4.02Å; Y91-L95 HydrophobicContact CE1-CD1 3.51Å; Y91-L95 HydrophobicContact CE1-CG 4.44Å; Y91-L95 HydrophobicContact CE2-CD1 4.24Å; Y91-L95 HydrophobicContact CE2-CG 4.45Å; Y91-L95 WeakPolarHBondContact O-CG 3.29Å; Y91-L95 PolarHBondContact O-N 3.22Å; H92-L95 PolarHBondContact O-N 3.49Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.38Å |
| 96 | T | 79.9 | Confident | 87.2 | Confident | 109 Ų | 109 | 32.2 Ų | 32.2 | 67% | 0.669 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -81.3 | -41.2 | -176 | -54 | 0 | 0 | 0 | 0 | 111.6 | H92 T93 | H92-T96 WeakPolarHBondContact O-CB 3.31Å; H92-T96 PolarHBondContact O-N 3.15Å; H92-T96 PolarHBondContact O-OG1 2.96Å; T93-T96 PolarHBondContact O-N 3.14Å; T93-T96 VanDerWaalsContact O-N 3.16Å |
| 97 | E | 79.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 32.4 Ų | 32.4 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -99.5 | -13.5 | -172.9 | -57.8 | -168.1 | 171.4 | 0 | 0 | 113.4 | T93 N99 | T93-E97 HydrophobicContact CG2-CG 4Å; T93-E97 WeakPolarHBondContact O-CB 3.42Å; T93-E97 PolarHBondContact O-N 2.93Å; E97-N99 HydrophobicContact CB-CB 4.36Å; E97-N99 PolarHBondContact O-N 3.06Å; E97-N99 PolarHBondContact OE2-ND2 2.83Å |
| 98 | F | 80.4 | Confident | 86.1 | Confident | 114 Ų | 114 | 33.5 Ų | 33.5 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | trans | 55.2 | 29 | -173.9 | -60.6 | -82.7 | 0 | 0 | 0 | 113.6 | M94 T384 | M94-F98 VanDerWaalsContact O-CA 3.24Å; M94-F98 WeakPolarHBondContact O-CA 3.21Å; M94-F98 PolarHBondContact O-N 3.32Å; F98-T384 HydrophobicContact CB-CG2 4.45Å | ||
| 99 | N | 83.6 | Confident | 85.4 | Confident | 77 Ų | 77 | 33.9 Ų | 33.9 | 41% | 0.412 | 18% | 0.175 | S | C | . | . | trans | -95.7 | 156 | 176.9 | -72.1 | -27.4 | 0 | 0 | 0 | 110.8 | M94 E97 H101 | M94-N99 WeakPolarHBondContact CG-O 3.36Å; E97-N99 HydrophobicContact CB-CB 4.36Å; E97-N99 PolarHBondContact O-N 3.06Å; E97-N99 PolarHBondContact OE2-ND2 2.83Å; N99-H101 PolarHBondContact O-CD2 3.26Å; N99-H101 PolarHBondContact O-NE2 2.93Å | ||
| 100 | N | 89.7 | Confident | 85 | Confident | 59 Ų | 59 | 32.7 Ų | 32.7 | 32% | 0.316 | 17% | 0.172 | S | C | . | . | trans | -86.4 | 138.4 | 173.9 | -64.2 | -41.1 | 0 | 0 | 0 | 109.7 | T384 V385 K587 E588 | N100-T384 WeakPolarHBondContact OD1-CA 3.26Å; N100-V385 WeakPolarHBondContact CA-O 3.27Å; N100-V385 PolarHBondContact OD1-N 3.5Å; N100-K587 HydrophobicContact CB-CB 4.41Å; N100-K587 HydrophobicContact CB-CD 4.45Å; N100-K587 HydrophobicContact CB-CG 3.77Å; N100-K587 CarbonylContact O-C 3.6Å; N100-K587 WeakPolarHBondContact O-CA 3.43Å; N100-E588 PolarHBondContact O-N 3.4Å | ||
| 101 | H | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 161.9 | -179.8 | -59.8 | -93.7 | 0 | 0 | 0 | 111.1 | T93 M94 N99 V385 I386 G387 E588 W590 | T93-H101 VanDerWaalsContact CG2-CE1 3.49Å; T93-H101 WeakPolarHBondContact CG2-CE1 3.13Å; M94-H101 VanDerWaalsContact CA-NE2 3.27Å; M94-H101 WeakPolarHBondContact CA-NE2 3.45Å; M94-H101 VanDerWaalsContact CB-CD2 3.44Å; M94-H101 WeakPolarHBondContact CB-CD2 3.16Å; M94-H101 PolarHBondContact N-NE2 3.38Å; N99-H101 PolarHBondContact O-CD2 3.26Å; N99-H101 PolarHBondContact O-NE2 2.93Å; H101-V385 PolarHBondContact N-O 3.31Å; H101-I386 CarbonylContact O-C 3.53Å; H101-I386 WeakPolarHBondContact O-CA 3.44Å; H101-G387 PolarHBondContact O-N 2.96Å; H101-E588 CarbonylContact C-O 3.53Å; H101-E588 VanDerWaalsContact CA-O 3.23Å; H101-E588 WeakPolarHBondContact CA-O 3.13Å; H101-E588 IonicContact CE1-OE2 3.88Å; H101-E588 PolarHBondContact CE1-OE2 3.01Å; H101-E588 IonicContact ND1-OE2 3.68Å; H101-E588 PolarHBondContact ND1-OE2 3.2Å; H101-W590 AromaticContact CG-NE1 3.89Å; H101-W590 AromaticContact ND1-NE1 3.34Å; H101-W590 PolarHBondContact ND1-NE1 2.84Å |
| 102 | F | 92 | Very high | 84.7 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.4 | 165.1 | 75.1 | -83.7 | 0 | 0 | 0 | 111.7 | L104 G387 L421 L584 K587 E588 A589 W590 | F102-L104 HydrophobicContact CD2-CB 4.26Å; F102-L104 HydrophobicContact CE2-CB 3.97Å; F102-G387 CarbonylContact C-O 3.57Å; F102-G387 WeakPolarHBondContact CA-O 3.25Å; F102-G387 WeakPolarHBondContact CB-O 3.47Å; F102-L421 HydrophobicContact CE1-CD1 4.41Å; F102-L421 HydrophobicContact CZ-CD1 4.16Å; F102-L584 HydrophobicContact CB-CD2 4.31Å; F102-L584 HydrophobicContact CD1-CD2 4.09Å; F102-L584 HydrophobicContact CD2-CD2 3.64Å; F102-L584 HydrophobicContact CE1-CB 4.23Å; F102-L584 HydrophobicContact CE1-CD2 4.24Å; F102-L584 WeakPolarHBondContact CE1-O 3.43Å; F102-L584 HydrophobicContact CE2-CD2 3.84Å; F102-L584 HydrophobicContact CG-CD2 3.76Å; F102-L584 HydrophobicContact CZ-CB 4.16Å; F102-L584 HydrophobicContact CZ-CD2 4.12Å; F102-K587 HydrophobicContact CD1-CB 3.62Å; F102-K587 HydrophobicContact CE1-CB 4.31Å; F102-E588 WeakPolarHBondContact CD1-O 3.25Å; F102-E588 PolarHBondContact N-O 3.31Å; F102-A589 HydrophobicContact CD1-CB 4.16Å; F102-A589 HydrophobicContact CE1-CB 3.35Å; F102-A589 HydrophobicContact CE2-CB 3.95Å; F102-A589 HydrophobicContact CZ-CB 3.23Å; F102-W590 PolarHBondContact O-N 2.77Å |
| 103 | I | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.8 | 174.9 | -54.4 | 171.4 | 0 | 0 | 0 | 107.7 | L86 A90 I105 I120 I386 G387 L388 L389 W590 I592 | L86-I103 HydrophobicContact CD2-CD1 3.67Å; L86-I103 HydrophobicContact CD2-CG1 3.93Å; L86-I103 HydrophobicContact CD2-CG2 3.88Å; A90-I103 HydrophobicContact CB-CD1 4.41Å; I103-I105 HydrophobicContact CG2-CG1 4.27Å; I103-I120 HydrophobicContact CD1-CD1 4.27Å; I103-I120 HydrophobicContact CD1-CG2 4.07Å; I103-I120 HydrophobicContact CG2-CD1 4.1Å; I103-I386 HydrophobicContact CD1-CG2 4.32Å; I103-I386 HydrophobicContact CG1-CG2 4.45Å; I103-G387 PolarHBondContact N-O 2.86Å; I103-L388 HydrophobicContact CB-CD2 3.82Å; I103-L388 HydrophobicContact CD1-CD2 3.75Å; I103-L388 HydrophobicContact CG1-CD2 4.11Å; I103-L389 PolarHBondContact O-N 3.09Å; I103-W590 CarbonylContact C-O 3.58Å; I103-W590 WeakPolarHBondContact CA-O 3.43Å; I103-W590 HydrophobicContact CB-CB 4.45Å; I103-W590 HydrophobicContact CG1-CB 3.97Å; I103-W590 HydrophobicContact CG1-CG 4.5Å; I103-I592 HydrophobicContact CG2-CD1 3.76Å; I103-I592 HydrophobicContact CG2-CG1 4.08Å |
| 104 | L | 89.8 | Confident | 84.7 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.4 | 173.9 | 171.4 | 65.3 | 0 | 0 | 0 | 110.1 | F102 L389 I391 W590 Y591 I592 | F102-L104 HydrophobicContact CD2-CB 4.26Å; F102-L104 HydrophobicContact CE2-CB 3.97Å; L104-L389 HydrophobicContact CD1-CB 4.19Å; L104-L389 HydrophobicContact CD1-CD2 3.74Å; L104-L389 HydrophobicContact CD1-CG 3.95Å; L104-I391 HydrophobicContact CD1-CG1 4.31Å; L104-W590 PolarHBondContact N-O 3.03Å; L104-Y591 HydrophobicContact CB-CD1 4.01Å; L104-Y591 HydrophobicContact CB-CE1 4.32Å; L104-Y591 HydrophobicContact CD2-CD1 4.02Å; L104-Y591 HydrophobicContact CD2-CE1 4.04Å; L104-Y591 HydrophobicContact CG-CD1 4.44Å; L104-I592 PolarHBondContact O-N 3.35Å |
| 105 | I | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.4 | 176.1 | -49.4 | 177.3 | 0 | 0 | 0 | 108.2 | I103 K113 A116 I120 L389 I592 | I103-I105 HydrophobicContact CG2-CG1 4.27Å; I105-K113 HydrophobicContact CG2-CB 3.83Å; I105-K113 HydrophobicContact CG2-CG 4.05Å; I105-A116 HydrophobicContact CD1-CB 4.33Å; I105-A116 HydrophobicContact CG2-CB 4.27Å; I105-I120 HydrophobicContact CD1-CD1 4.06Å; I105-L389 PolarHBondContact N-O 3.32Å; I105-I592 HydrophobicContact CG1-CB 4.32Å; I105-I592 HydrophobicContact CG1-CD1 4.27Å; I105-I592 HydrophobicContact CG2-CB 4.39Å; I105-I592 HydrophobicContact CG2-CG2 4.34Å |
| 106 | S | 86.1 | Confident | 84.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.9 | -177 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | I592 R593 C594 | S106-I592 PolarHBondContact N-O 3.35Å; S106-I592 PolarHBondContact OG-O 3.19Å; S106-R593 WeakPolarHBondContact OG-CD 3.2Å; S106-R593 PolarHBondContact OG-NH1 3.46Å; S106-C594 PolarHBondContact O-N 2.85Å |
| 107 | G | 83.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | 155.8 | 159.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K113 G393 C594 | G107-K113 PolarHBondContact O-NZ 3.32Å; G107-G393 WeakPolarHBondContact O-CA 3.42Å; G107-C594 VanDerWaalsContact CA-O 3.28Å; G107-C594 WeakPolarHBondContact CA-O 3.48Å | ||
| 108 | E | 78.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 26.7 Ų | 26.7 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -57 | 160.8 | 172.4 | -86.6 | 177.6 | -163.4 | 0 | 0 | 112.3 | G110 A111 K113 H613 Y617 | E108-G110 PolarHBondContact O-N 3.11Å; E108-A111 VanDerWaalsContact O-CB 3.22Å; E108-A111 WeakPolarHBondContact O-CB 3.37Å; E108-A111 PolarHBondContact O-N 3.17Å; E108-A111 VanDerWaalsContact O-N 3.15Å; E108-K113 PolarHBondContact O-NZ 3.34Å; E108-H613 IonicContact OE1-ND1 3.32Å; E108-Y617 HydrophobicContact CG-CD1 4.46Å; E108-Y617 HydrophobicContact CG-CE1 3.55Å; E108-Y617 HydrophobicContact CG-CE2 4.48Å; E108-Y617 PolarHBondContact N-OH 3.37Å; E108-Y617 WeakPolarHBondContact OE1-CD1 3.43Å; E108-Y617 WeakPolarHBondContact OE1-CE1 3.42Å |
| 109 | S | 75.9 | Confident | 85.9 | Confident | 11 Ų | 11 | 22.5 Ų | 22.5 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.6 | 173 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | N159 S162 | S109-N159 WeakPolarHBondContact OG-CB 3.4Å; S109-S162 PolarHBondContact OG-OG 3.37Å |
| 110 | G | 77.4 | Confident | 86.2 | Confident | 15 Ų | 15 | 18.9 Ų | 18.9 | 16% | 0.155 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 3.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N55 E108 G112 | N55-G110 PolarHBondContact ND2-O 3.22Å; E108-G110 PolarHBondContact O-N 3.11Å; G110-G112 VanDerWaalsContact C-N 3.26Å; G110-G112 PolarHBondContact O-N 3.14Å |
| 111 | A | 84.6 | Confident | 86 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -74.7 | -8.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E108 C594 | E108-A111 VanDerWaalsContact O-CB 3.22Å; E108-A111 WeakPolarHBondContact O-CB 3.37Å; E108-A111 PolarHBondContact O-N 3.17Å; E108-A111 VanDerWaalsContact O-N 3.15Å; A111-C594 HydrophobicContact CB-CB 3.76Å |
| 112 | G | 86.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 19.1 Ų | 19.1 | 29% | 0.289 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 96.3 | 24.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G110 E115 A116 | G110-G112 VanDerWaalsContact C-N 3.26Å; G110-G112 PolarHBondContact O-N 3.14Å; G112-E115 PolarHBondContact O-N 3.11Å; G112-A116 PolarHBondContact O-N 3.4Å |
| 113 | K | 86.3 | Confident | 85.4 | Confident | 18 Ų | 18 | 19 Ų | 19 | 8% | 0.078 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 178.8 | -60.9 | -175.9 | -69.6 | -78.9 | 0 | 113.1 | I105 G107 E108 E115 A116 S117 D390 I391 C594 | I105-K113 HydrophobicContact CG2-CB 3.83Å; I105-K113 HydrophobicContact CG2-CG 4.05Å; G107-K113 PolarHBondContact O-NZ 3.32Å; E108-K113 PolarHBondContact O-NZ 3.34Å; K113-E115 VanDerWaalsContact C-N 3.31Å; K113-E115 PolarHBondContact O-N 3.5Å; K113-A116 WeakPolarHBondContact O-CB 3.34Å; K113-A116 PolarHBondContact O-N 3.21Å; K113-A116 VanDerWaalsContact O-N 3.16Å; K113-S117 PolarHBondContact O-N 3.36Å; K113-D390 WeakPolarHBondContact CB-OD1 3.47Å; K113-I391 WeakPolarHBondContact CD-O 3.38Å; K113-I391 WeakPolarHBondContact CE-O 3.41Å; K113-C594 HydrophobicContact CG-CB 4.26Å |
| 114 | T | 81.4 | Confident | 85 | Confident | 33 Ų | 33 | 19.4 Ų | 19.4 | 20% | 0.202 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | -179.5 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | S117 K118 D390 | T114-S117 WeakPolarHBondContact O-CB 3.15Å; T114-S117 PolarHBondContact O-N 2.93Å; T114-K118 WeakPolarHBondContact O-CB 3.07Å; T114-K118 PolarHBondContact O-N 3.05Å; T114-D390 WeakPolarHBondContact CA-OD2 3.38Å; T114-D390 PolarHBondContact OG1-OD2 3.41Å |
| 115 | E | 84.8 | Confident | 84.3 | Confident | 78 Ų | 78 | 20 Ų | 20 | 36% | 0.364 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.5 | -170.2 | 60.3 | -161.4 | 0 | 0 | 111.3 | G112 K113 S117 K118 K119 | G112-E115 PolarHBondContact O-N 3.11Å; K113-E115 VanDerWaalsContact C-N 3.31Å; K113-E115 PolarHBondContact O-N 3.5Å; E115-S117 PolarHBondContact O-N 3.33Å; E115-K118 WeakPolarHBondContact O-CB 3.08Å; E115-K118 PolarHBondContact O-N 2.95Å; E115-K119 WeakPolarHBondContact O-CG 3.39Å; E115-K119 PolarHBondContact O-N 3.26Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 3.23Å; E115-K119 PolarHBondContact OE1-NZ 3Å |
| 116 | A | 89.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I83 I105 G112 K113 K118 K119 I120 | I83-A116 HydrophobicContact CD1-CB 3.62Å; I83-A116 WeakPolarHBondContact CD1-O 3.43Å; I105-A116 HydrophobicContact CD1-CB 4.33Å; I105-A116 HydrophobicContact CG2-CB 4.27Å; G112-A116 PolarHBondContact O-N 3.4Å; K113-A116 WeakPolarHBondContact O-CB 3.34Å; K113-A116 PolarHBondContact O-N 3.21Å; K113-A116 VanDerWaalsContact O-N 3.16Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 3.05Å; A116-K119 PolarHBondContact O-N 3.04Å; A116-I120 WeakPolarHBondContact O-CG1 3.36Å; A116-I120 PolarHBondContact O-N 3.06Å |
| 117 | S | 87.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | K113 T114 E115 K119 I120 L121 M169 | K113-S117 PolarHBondContact O-N 3.36Å; T114-S117 WeakPolarHBondContact O-CB 3.15Å; T114-S117 PolarHBondContact O-N 2.93Å; E115-S117 PolarHBondContact O-N 3.33Å; S117-K119 PolarHBondContact O-N 3.49Å; S117-I120 PolarHBondContact O-N 2.82Å; S117-L121 WeakPolarHBondContact O-CG 3.41Å; S117-L121 PolarHBondContact O-N 3.47Å; S117-M169 WeakPolarHBondContact OG-CE 3.49Å |
| 118 | K | 84.4 | Confident | 82.5 | Confident | 81 Ų | 81 | 22.8 Ų | 22.8 | 35% | 0.352 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 177 | -175.7 | -179.6 | 178.7 | -178.9 | 0 | 112.3 | T114 E115 A116 L121 Q122 | T114-K118 WeakPolarHBondContact O-CB 3.07Å; T114-K118 PolarHBondContact O-N 3.05Å; E115-K118 WeakPolarHBondContact O-CB 3.08Å; E115-K118 PolarHBondContact O-N 2.95Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 3.05Å; K118-L121 PolarHBondContact O-N 3.4Å; K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.25Å; K118-Q122 WeakPolarHBondContact O-CG 3.37Å; K118-Q122 PolarHBondContact O-N 3.33Å |
| 119 | K | 88.9 | Confident | 81.7 | Confident | 26 Ų | 26 | 24.9 Ų | 24.9 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 177.6 | -65.3 | -41.5 | -169.6 | -156.8 | 0 | 112.4 | Y63 I83 Y84 E115 A116 S117 Q122 Y123 | Y63-K119 HydrophobicContact CD1-CB 4.44Å; Y63-K119 HydrophobicContact CD1-CD 3.97Å; Y63-K119 HydrophobicContact CD1-CG 3.82Å; Y63-K119 HydrophobicContact CD2-CD 4.38Å; Y63-K119 HydrophobicContact CE1-CB 4.39Å; Y63-K119 HydrophobicContact CE1-CD 4.33Å; Y63-K119 HydrophobicContact CE1-CG 3.74Å; Y63-K119 HydrophobicContact CG-CD 3.97Å; Y63-K119 VanDerWaalsContact CG-CE 3.45Å; Y63-K119 HydrophobicContact CG-CG 4.29Å; I83-K119 HydrophobicContact CG2-CB 4.35Å; Y84-K119 HydrophobicContact CE1-CB 4.33Å; E115-K119 WeakPolarHBondContact O-CG 3.39Å; E115-K119 PolarHBondContact O-N 3.26Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 3.23Å; E115-K119 PolarHBondContact OE1-NZ 3Å; A116-K119 PolarHBondContact O-N 3.04Å; S117-K119 PolarHBondContact O-N 3.49Å; K119-Q122 PolarHBondContact O-N 3.22Å; K119-Y123 PolarHBondContact O-N 3.36Å |
| 120 | I | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 175.1 | -67.4 | 164.9 | 0 | 0 | 0 | 110.6 | I83 A87 I103 I105 A116 S117 Q122 Y123 Y124 L388 I592 | I83-I120 HydrophobicContact CD1-CD1 3.85Å; I83-I120 HydrophobicContact CD1-CG1 3.72Å; I83-I120 HydrophobicContact CG1-CD1 4.03Å; I83-I120 HydrophobicContact CG1-CG1 3.74Å; A87-I120 HydrophobicContact CB-CG2 4.17Å; I103-I120 HydrophobicContact CD1-CD1 4.27Å; I103-I120 HydrophobicContact CD1-CG2 4.07Å; I103-I120 HydrophobicContact CG2-CD1 4.1Å; I105-I120 HydrophobicContact CD1-CD1 4.06Å; A116-I120 WeakPolarHBondContact O-CG1 3.36Å; A116-I120 PolarHBondContact O-N 3.06Å; S117-I120 PolarHBondContact O-N 2.82Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.8Å; I120-Y123 WeakPolarHBondContact O-CB 3.48Å; I120-Y123 PolarHBondContact O-N 3.07Å; I120-Y123 VanDerWaalsContact O-N 3.08Å; I120-Y124 HydrophobicContact CG2-CD2 3.79Å; I120-Y124 HydrophobicContact CG2-CE2 3.3Å; I120-Y124 PolarHBondContact O-N 3.24Å; I120-L388 HydrophobicContact CG2-CD1 4.19Å; I120-L388 HydrophobicContact CG2-CD2 3.82Å; I120-I592 HydrophobicContact CD1-CD1 3.49Å; I120-I592 VanDerWaalsContact CD1-CD1 3.49Å |
| 121 | L | 84.6 | Confident | 79.4 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.8 | -74.7 | 173.8 | 0 | 0 | 0 | 112.1 | S117 K118 Y123 Y124 A125 M169 I171 L388 | S117-L121 WeakPolarHBondContact O-CG 3.41Å; S117-L121 PolarHBondContact O-N 3.47Å; K118-L121 PolarHBondContact O-N 3.4Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.99Å; L121-Y124 PolarHBondContact O-N 3.04Å; L121-A125 VanDerWaalsContact O-CB 3.27Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.47Å; L121-M169 HydrophobicContact CD1-CE 3.62Å; L121-M169 HydrophobicContact CD1-SD 4.34Å; L121-M169 HydrophobicContact CG-CE 4.33Å; L121-I171 HydrophobicContact CD2-CD1 3.63Å; L121-I171 HydrophobicContact CD2-CG1 4.35Å; L121-L388 HydrophobicContact CD2-CD1 3.62Å; L121-L388 HydrophobicContact CG-CD1 3.71Å |
| 122 | Q | 83.9 | Confident | 77.8 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 175.1 | -74.9 | 175.3 | -10.5 | 0 | 0 | 112.5 | M68 K118 K119 I120 A125 V126 L142 | M68-Q122 HydrophobicContact CE-CB 4.23Å; K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.25Å; K118-Q122 WeakPolarHBondContact O-CG 3.37Å; K118-Q122 PolarHBondContact O-N 3.33Å; K119-Q122 PolarHBondContact O-N 3.22Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.8Å; Q122-A125 WeakPolarHBondContact O-CB 3.16Å; Q122-A125 PolarHBondContact O-N 3.35Å; Q122-V126 WeakPolarHBondContact O-CG2 3.47Å; Q122-V126 PolarHBondContact O-N 3.08Å; Q122-L142 HydrophobicContact CG-CD1 4.44Å |
| 123 | Y | 86.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 176.3 | -175.9 | -97.2 | 0 | 0 | 0 | 111.6 | M68 M72 Y84 A87 D88 K119 I120 L121 A125 V126 S127 | M68-Y123 HydrophobicContact CB-CD2 4.27Å; M68-Y123 HydrophobicContact CB-CE2 4.33Å; M68-Y123 HydrophobicContact CG-CD2 4.19Å; M72-Y123 WeakPolarHBondContact CA-OH 3.03Å; Y84-Y123 AromaticContact CD1-CD2 3.42Å; Y84-Y123 HydrophobicContact CD1-CD2 3.42Å; Y84-Y123 VanDerWaalsContact CD1-CD2 3.42Å; Y84-Y123 HydrophobicContact CD1-CE2 4.31Å; Y84-Y123 AromaticContact CD1-CG 3.76Å; Y84-Y123 HydrophobicContact CD1-CG 3.76Å; Y84-Y123 HydrophobicContact CD2-CD2 4.14Å; Y84-Y123 HydrophobicContact CE1-CD2 4.04Å; Y84-Y123 HydrophobicContact CE1-CG 4.34Å; Y84-Y123 AromaticContact CG-CD2 3.49Å; Y84-Y123 HydrophobicContact CG-CD2 3.49Å; Y84-Y123 VanDerWaalsContact CG-CD2 3.49Å; Y84-Y123 AromaticContact CG-CE2 3.96Å; Y84-Y123 HydrophobicContact CG-CE2 3.96Å; Y84-Y123 HydrophobicContact CG-CG 4.25Å; A87-Y123 HydrophobicContact CB-CD1 3.51Å; A87-Y123 HydrophobicContact CB-CE1 4.07Å; A87-Y123 HydrophobicContact CB-CG 4.1Å; D88-Y123 HydrophobicContact CB-CE1 3.87Å; D88-Y123 VanDerWaalsContact CB-OH 3.28Å; D88-Y123 WeakPolarHBondContact CB-OH 3.39Å; D88-Y123 VanDerWaalsContact CG-OH 3.24Å; D88-Y123 PolarHBondContact OD1-OH 3.44Å; K119-Y123 PolarHBondContact O-N 3.36Å; I120-Y123 WeakPolarHBondContact O-CB 3.48Å; I120-Y123 PolarHBondContact O-N 3.07Å; I120-Y123 VanDerWaalsContact O-N 3.08Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.99Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 3.43Å; Y123-V126 PolarHBondContact O-N 3.19Å; Y123-V126 VanDerWaalsContact O-N 3.11Å; Y123-S127 WeakPolarHBondContact CE1-OG 3.48Å; Y123-S127 VanDerWaalsContact CZ-OG 3.22Å; Y123-S127 WeakPolarHBondContact O-CB 3.23Å; Y123-S127 PolarHBondContact O-N 3.27Å; Y123-S127 PolarHBondContact O-OG 3.18Å |
| 124 | Y | 84.3 | Confident | 74.5 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 176.1 | -65 | -38.9 | 0 | 0 | 0 | 112.1 | A87 I120 L121 V126 S127 C128 I171 I386 | A87-Y124 WeakPolarHBondContact CA-OH 3.45Å; A87-Y124 HydrophobicContact CB-CE1 3.96Å; A87-Y124 VanDerWaalsContact O-CE1 3.24Å; A87-Y124 WeakPolarHBondContact O-CE1 3.43Å; A87-Y124 PolarHBondContact O-OH 3.4Å; I120-Y124 HydrophobicContact CG2-CD2 3.79Å; I120-Y124 HydrophobicContact CG2-CE2 3.3Å; I120-Y124 PolarHBondContact O-N 3.24Å; L121-Y124 PolarHBondContact O-N 3.04Å; Y124-V126 PolarHBondContact O-N 2.91Å; Y124-S127 PolarHBondContact O-N 2.9Å; Y124-C128 PolarHBondContact O-N 3.29Å; Y124-C128 PolarHBondContact O-SG 3.31Å; Y124-I171 HydrophobicContact CD2-CD1 3.71Å; Y124-I171 HydrophobicContact CE2-CD1 4.25Å; Y124-I386 HydrophobicContact CE1-CD1 4.37Å; Y124-I386 HydrophobicContact CE2-CD1 4.5Å; Y124-I386 HydrophobicContact CE2-CG2 4.23Å |
| 125 | A | 76.5 | Confident | 73.4 | Confident | 19 Ų | 19 | 43 Ų | 43 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -30.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | L121 Q122 Y123 R138 | L121-A125 VanDerWaalsContact O-CB 3.27Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.47Å; Q122-A125 WeakPolarHBondContact O-CB 3.16Å; Q122-A125 PolarHBondContact O-N 3.35Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 3.43Å; A125-R138 HydrophobicContact CB-CG 3.68Å; A125-R138 PolarHBondContact O-NH1 2.75Å |
| 126 | V | 77.4 | Confident | 72.5 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -96.3 | -33.6 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | M68 Q122 Y123 Y124 | M68-V126 HydrophobicContact SD-CB 4.05Å; M68-V126 HydrophobicContact SD-CG1 4.25Å; M68-V126 HydrophobicContact SD-CG2 3.84Å; Q122-V126 WeakPolarHBondContact O-CG2 3.47Å; Q122-V126 PolarHBondContact O-N 3.08Å; Y123-V126 PolarHBondContact O-N 3.19Å; Y123-V126 VanDerWaalsContact O-N 3.11Å; Y124-V126 PolarHBondContact O-N 2.91Å |
| 127 | S | 73 | Confident | 71.4 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 12% | 0.119 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -80 | -24.4 | -172.8 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | Y123 Y124 | Y123-S127 WeakPolarHBondContact CE1-OG 3.48Å; Y123-S127 VanDerWaalsContact CZ-OG 3.22Å; Y123-S127 WeakPolarHBondContact O-CB 3.23Å; Y123-S127 PolarHBondContact O-N 3.27Å; Y123-S127 PolarHBondContact O-OG 3.18Å; Y124-S127 PolarHBondContact O-N 2.9Å |
| 128 | C | 70.6 | Confident | 70.4 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -77 | 141.6 | 179.2 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | Y124 S130 M134 | Y124-C128 PolarHBondContact O-N 3.29Å; Y124-C128 PolarHBondContact O-SG 3.31Å; C128-S130 PolarHBondContact O-N 2.79Å; C128-M134 HydrophobicContact CB-CE 3.44Å; C128-M134 VanDerWaalsContact CB-CE 3.44Å; C128-M134 HydrophobicContact CB-SD 4.03Å |
| 129 | P | 62.3 | Low | 69.9 | Low | 69 Ų | 69 | 46.4 Ų | 46.4 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | trans | -58.1 | 120.7 | 178.3 | -17.9 | 26.9 | 0 | 0 | 0 | 112.3 | T131 M134 D178 | P129-T131 PolarHBondContact O-N 2.98Å; P129-M134 WeakPolarHBondContact O-CE 3.49Å; P129-D178 WeakPolarHBondContact CB-OD1 3.22Å; P129-D178 VanDerWaalsContact CD-OD1 3.24Å; P129-D178 WeakPolarHBondContact CD-OD1 3.47Å; P129-D178 VanDerWaalsContact CG-OD1 3.28Å; P129-D178 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 130 | S | 50.9 | Low | 69.4 | Low | 92 Ų | 92 | 45.8 Ų | 45.8 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | trans | -75.7 | 109.7 | -173.4 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | C128 | C128-S130 PolarHBondContact O-N 2.79Š| ||
| 131 | T | 53.8 | Low | 68.8 | Low | 74 Ų | 74 | 46.6 Ų | 46.6 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | trans | -99.4 | 154.2 | 154.7 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | P129 L133 M134 | P129-T131 PolarHBondContact O-N 2.98Å; T131-L133 VanDerWaalsContact C-N 3.26Å; T131-L133 PolarHBondContact O-N 3.21Å; T131-M134 WeakPolarHBondContact O-CB 3.11Å; T131-M134 PolarHBondContact O-N 2.7Å | ||
| 132 | T | 50.6 | Low | 68.5 | Low | 128 Ų | 128 | 48.1 Ų | 48.1 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61 | -27.6 | -177.1 | 30.4 | 0 | 0 | 0 | 0 | 114.4 | M134 | T132-M134 VanDerWaalsContact C-N 3.26Å; T132-M134 PolarHBondContact O-N 2.93Å |
| 133 | L | 51.1 | Low | 68.5 | Low | 106 Ų | 106 | 48.8 Ų | 48.8 | 56% | 0.555 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.4 | -27.4 | 172 | -109.3 | 97.9 | 0 | 0 | 0 | 112.7 | T131 T136 | T131-L133 VanDerWaalsContact C-N 3.26Å; T131-L133 PolarHBondContact O-N 3.21Å; L133-T136 PolarHBondContact O-N 2.87Å |
| 134 | M | 52.1 | Low | 68.5 | Low | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.8 | -34.2 | -170 | -152.8 | -166.8 | -135.2 | 0 | 0 | 112.5 | C128 P129 T131 T132 T136 V137 R138 D178 A179 | C128-M134 HydrophobicContact CB-CE 3.44Å; C128-M134 VanDerWaalsContact CB-CE 3.44Å; C128-M134 HydrophobicContact CB-SD 4.03Å; P129-M134 WeakPolarHBondContact O-CE 3.49Å; T131-M134 WeakPolarHBondContact O-CB 3.11Å; T131-M134 PolarHBondContact O-N 2.7Å; T132-M134 VanDerWaalsContact C-N 3.26Å; T132-M134 PolarHBondContact O-N 2.93Å; M134-T136 PolarHBondContact O-N 3.25Å; M134-V137 PolarHBondContact O-N 3.14Å; M134-R138 WeakPolarHBondContact O-CB 3.49Å; M134-R138 PolarHBondContact O-N 3.49Å; M134-D178 VanDerWaalsContact CE-CA 3.47Å; M134-D178 HydrophobicContact CE-CB 3.63Å; M134-A179 HydrophobicContact CE-CB 4.03Å |
| 135 | N | 58.6 | Low | 68.5 | Low | 71 Ų | 71 | 48.9 Ų | 48.9 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -34.7 | 175 | -71.6 | -23.5 | 0 | 0 | 0 | 111.2 | D139 | N135-D139 WeakPolarHBondContact O-CB 3.33Å; N135-D139 PolarHBondContact O-N 3.34Å |
| 136 | T | 65.1 | Low | 69.1 | Low | 70 Ų | 70 | 49.9 Ų | 49.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.5 | -48.6 | -178.8 | -45.2 | 0 | 0 | 0 | 0 | 112.6 | L133 M134 K140 | L133-T136 PolarHBondContact O-N 2.87Å; M134-T136 PolarHBondContact O-N 3.25Å; T136-K140 HydrophobicContact CG2-CD 4.34Å; T136-K140 VanDerWaalsContact O-CB 3.31Å; T136-K140 WeakPolarHBondContact O-CB 3.43Å; T136-K140 WeakPolarHBondContact O-CG 3.35Å; T136-K140 PolarHBondContact O-N 2.97Å |
| 137 | V | 67.8 | Low | 69.8 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.3 | 178 | 0 | 0 | 0 | 0 | 110.6 | M134 K140 M141 | M134-V137 PolarHBondContact O-N 3.14Å; V137-K140 PolarHBondContact O-N 2.89Å; V137-M141 HydrophobicContact CG1-SD 4.45Å; V137-M141 WeakPolarHBondContact O-CG 3.46Å; V137-M141 PolarHBondContact O-N 2.89Å |
| 138 | R | 66.2 | Low | 70.6 | Confident | 88 Ų | 88 | 47 Ų | 47 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -52.8 | 175.3 | 173.5 | -168 | 140.1 | 150.3 | 2.6 | 112.2 | A125 M134 K140 M141 L142 | A125-R138 HydrophobicContact CB-CG 3.68Å; A125-R138 PolarHBondContact O-NH1 2.75Å; M134-R138 WeakPolarHBondContact O-CB 3.49Å; M134-R138 PolarHBondContact O-N 3.49Å; R138-K140 VanDerWaalsContact C-N 3.32Å; R138-M141 PolarHBondContact O-N 3.35Å; R138-L142 PolarHBondContact O-N 3.46Å |
| 139 | D | 72.8 | Confident | 71.5 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -36 | -177.4 | -69 | -17.7 | 0 | 0 | 0 | 110.2 | N135 L142 M143 | N135-D139 WeakPolarHBondContact O-CB 3.33Å; N135-D139 PolarHBondContact O-N 3.34Å; D139-L142 PolarHBondContact O-N 3.33Å; D139-M143 WeakPolarHBondContact O-CB 3.46Å; D139-M143 WeakPolarHBondContact O-CG 3.41Å; D139-M143 PolarHBondContact O-N 2.79Å |
| 140 | K | 78.9 | Confident | 73 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 171.1 | -75.3 | 176.4 | -179 | -174.7 | 0 | 112.6 | T136 V137 R138 L142 M143 S144 V260 E262 S367 | T136-K140 HydrophobicContact CG2-CD 4.34Å; T136-K140 VanDerWaalsContact O-CB 3.31Å; T136-K140 WeakPolarHBondContact O-CB 3.43Å; T136-K140 WeakPolarHBondContact O-CG 3.35Å; T136-K140 PolarHBondContact O-N 2.97Å; V137-K140 PolarHBondContact O-N 2.89Å; R138-K140 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 3.32Å; K140-M143 PolarHBondContact O-N 2.95Å; K140-S144 WeakPolarHBondContact O-CB 3.38Å; K140-S144 PolarHBondContact O-N 3.2Å; K140-V260 HydrophobicContact CG-CG1 4.46Å; K140-E262 WeakPolarHBondContact CE-OE1 3.35Å; K140-E262 IonicContact NZ-OE1 2.74Å; K140-E262 PolarHBondContact NZ-OE1 2.81Å; K140-E262 IonicContact NZ-OE2 3.53Å; K140-E262 PolarHBondContact NZ-OE2 2.93Å; K140-S367 PolarHBondContact NZ-O 3.47Å |
| 141 | M | 77.4 | Confident | 75 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.9 | -74.9 | -173 | 100.3 | 0 | 0 | 111.8 | V137 R138 S144 I171 M368 | V137-M141 HydrophobicContact CG1-SD 4.45Å; V137-M141 WeakPolarHBondContact O-CG 3.46Å; V137-M141 PolarHBondContact O-N 2.89Å; R138-M141 PolarHBondContact O-N 3.35Å; M141-S144 PolarHBondContact O-N 2.94Å; M141-S144 PolarHBondContact O-OG 3.31Å; M141-I171 HydrophobicContact CE-CG1 3.91Å; M141-M368 HydrophobicContact CG-CG 4.48Å; M141-M368 HydrophobicContact CG-SD 3.54Å; M141-M368 VanDerWaalsContact CG-SD 3.54Å |
| 142 | L | 79.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 179.4 | -170.9 | 64.8 | 0 | 0 | 0 | 111.9 | Q122 R138 D139 K140 S144 N145 | Q122-L142 HydrophobicContact CG-CD1 4.44Å; R138-L142 PolarHBondContact O-N 3.46Å; D139-L142 PolarHBondContact O-N 3.33Å; K140-L142 PolarHBondContact O-N 3.32Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.3Å; L142-N145 PolarHBondContact O-N 3.42Å; L142-N145 PolarHBondContact O-ND2 3.28Å |
| 143 | M | 82.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 32 Ų | 32 | 30% | 0.3 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -75.5 | -15.4 | 179.5 | -65.4 | -59.2 | 172.8 | 0 | 0 | 113.4 | D139 K140 N145 P146 A257 V260 | D139-M143 WeakPolarHBondContact O-CB 3.46Å; D139-M143 WeakPolarHBondContact O-CG 3.41Å; D139-M143 PolarHBondContact O-N 2.79Å; K140-M143 PolarHBondContact O-N 2.95Å; M143-N145 PolarHBondContact O-N 2.9Å; M143-P146 WeakPolarHBondContact O-CD 3.41Å; M143-A257 HydrophobicContact CB-CB 4.26Å; M143-A257 VanDerWaalsContact O-CB 3.31Å; M143-A257 WeakPolarHBondContact O-CB 3.2Å; M143-V260 HydrophobicContact CB-CB 4.38Å; M143-V260 HydrophobicContact CB-CG1 4.21Å; M143-V260 HydrophobicContact CG-CB 4.3Å; M143-V260 HydrophobicContact CG-CG1 4Å; M143-V260 HydrophobicContact CG-CG2 4.48Å |
| 144 | S | 86.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -29.7 | 171.1 | 75 | 0 | 0 | 0 | 0 | 113.1 | K140 M141 L142 V147 L148 | K140-S144 WeakPolarHBondContact O-CB 3.38Å; K140-S144 PolarHBondContact O-N 3.2Å; M141-S144 PolarHBondContact O-N 2.94Å; M141-S144 PolarHBondContact O-OG 3.31Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.3Å; S144-V147 PolarHBondContact O-N 3.01Å; S144-L148 WeakPolarHBondContact O-CG 2.87Å; S144-L148 PolarHBondContact O-N 3.02Å |
| 145 | N | 85.9 | Confident | 82.1 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -52 | -176.6 | -69.5 | -56.6 | 0 | 0 | 0 | 112.9 | L142 M143 V147 L148 E149 K167 | L142-N145 PolarHBondContact O-N 3.42Å; L142-N145 PolarHBondContact O-ND2 3.28Å; M143-N145 PolarHBondContact O-N 2.9Å; N145-V147 PolarHBondContact O-N 3.41Å; N145-V147 VanDerWaalsContact O-N 3.15Å; N145-L148 PolarHBondContact O-N 3.3Å; N145-L148 VanDerWaalsContact O-N 3.12Å; N145-E149 WeakPolarHBondContact O-CB 3.27Å; N145-E149 VanDerWaalsContact O-CG 3.29Å; N145-E149 WeakPolarHBondContact O-CG 3.37Å; N145-E149 PolarHBondContact O-N 3.42Å; N145-K167 PolarHBondContact OD1-NZ 3.38Å |
| 146 | P | 89.5 | Confident | 83.2 | Confident | 40 Ų | 40 | 24.4 Ų | 24.4 | 26% | 0.26 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -49.6 | -39.9 | 174.5 | -29.7 | 31.3 | 0 | 0 | 0 | 114.4 | M143 A150 A257 | M143-P146 WeakPolarHBondContact O-CD 3.41Å; P146-A150 WeakPolarHBondContact O-CB 2.92Å; P146-A150 PolarHBondContact O-N 2.66Å; P146-A257 HydrophobicContact CB-CB 4.24Å |
| 147 | V | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.6 | -48.3 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | S144 N145 E149 A150 F151 A257 L258 I261 L360 I364 | S144-V147 PolarHBondContact O-N 3.01Å; N145-V147 PolarHBondContact O-N 3.41Å; N145-V147 VanDerWaalsContact O-N 3.15Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 2.7Å; V147-A150 PolarHBondContact O-N 3.47Å; V147-F151 HydrophobicContact CG1-CD2 4.33Å; V147-F151 HydrophobicContact CG1-CE2 4.48Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3Å; V147-F151 VanDerWaalsContact O-N 3.17Å; V147-A257 HydrophobicContact CG2-CB 3.64Å; V147-L258 HydrophobicContact CG1-CD2 4.14Å; V147-L258 HydrophobicContact CG2-CD2 4.08Å; V147-L258 HydrophobicContact CG2-CG 4.16Å; V147-I261 HydrophobicContact CG2-CD1 3.88Å; V147-L360 HydrophobicContact CG1-CD1 4.14Å; V147-L360 HydrophobicContact CG1-CD2 3.75Å; V147-L360 HydrophobicContact CG1-CG 4.18Å; V147-I364 HydrophobicContact CG1-CD1 4.46Å |
| 148 | L | 90.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -33.6 | 178.3 | -65.2 | 177 | 0 | 0 | 0 | 112.6 | S144 N145 G152 F165 K167 I184 F357 V361 I364 | S144-L148 WeakPolarHBondContact O-CG 2.87Å; S144-L148 PolarHBondContact O-N 3.02Å; N145-L148 PolarHBondContact O-N 3.3Å; N145-L148 VanDerWaalsContact O-N 3.12Å; L148-G152 VanDerWaalsContact O-CA 3.26Å; L148-G152 WeakPolarHBondContact O-CA 3.49Å; L148-G152 PolarHBondContact O-N 2.6Å; L148-F165 HydrophobicContact CB-CZ 3.97Å; L148-K167 HydrophobicContact CD1-CD 3.98Å; L148-I184 HydrophobicContact CD1-CD1 4.12Å; L148-I184 HydrophobicContact CD1-CG2 4.24Å; L148-F357 HydrophobicContact CD2-CE2 4.2Å; L148-F357 HydrophobicContact CD2-CZ 4.34Å; L148-V361 HydrophobicContact CD2-CG2 3.74Å; L148-I364 HydrophobicContact CD2-CD1 3.99Å; L148-I364 HydrophobicContact CG-CD1 4.31Å |
| 149 | E | 89.2 | Confident | 84.4 | Confident | 51 Ų | 51 | 25.8 Ų | 25.8 | 24% | 0.238 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -40.9 | 174.2 | -69.8 | -176.1 | -152 | 0 | 0 | 111.2 | N145 V147 F151 N153 N161 | N145-E149 WeakPolarHBondContact O-CB 3.27Å; N145-E149 VanDerWaalsContact O-CG 3.29Å; N145-E149 WeakPolarHBondContact O-CG 3.37Å; N145-E149 PolarHBondContact O-N 3.42Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 2.7Å; E149-F151 PolarHBondContact O-N 2.85Å; E149-N153 WeakPolarHBondContact O-CA 3.11Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.34Å; E149-N161 PolarHBondContact OE2-ND2 2.97Å |
| 150 | A | 92.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P146 V147 H205 V206 V254 | P146-A150 WeakPolarHBondContact O-CB 2.92Å; P146-A150 PolarHBondContact O-N 2.66Å; V147-A150 PolarHBondContact O-N 3.47Å; A150-H205 PolarHBondContact O-N 3.14Å; A150-V206 HydrophobicContact CB-CB 4.29Å; A150-V206 WeakPolarHBondContact O-CB 3.16Å; A150-V206 PolarHBondContact O-N 3.37Å; A150-V254 HydrophobicContact CB-CG2 3.66Å |
| 151 | F | 93.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -91.8 | -15.1 | -177 | -74.4 | -100 | 0 | 0 | 0 | 114.7 | V147 E149 F204 V206 L271 V275 Y353 F357 L360 | V147-F151 HydrophobicContact CG1-CD2 4.33Å; V147-F151 HydrophobicContact CG1-CE2 4.48Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3Å; V147-F151 VanDerWaalsContact O-N 3.17Å; E149-F151 PolarHBondContact O-N 2.85Å; F151-F204 WeakPolarHBondContact O-CD1 3.37Å; F151-V206 HydrophobicContact CD1-CB 4.48Å; F151-V206 HydrophobicContact CD1-CG1 4.06Å; F151-V206 HydrophobicContact CD1-CG2 4.41Å; F151-V206 HydrophobicContact CD2-CB 4.33Å; F151-V206 HydrophobicContact CD2-CG2 4.2Å; F151-V206 HydrophobicContact CE1-CG1 4.3Å; F151-V206 HydrophobicContact CE1-CG2 4Å; F151-V206 HydrophobicContact CE2-CB 4.4Å; F151-V206 HydrophobicContact CE2-CG2 3.77Å; F151-V206 HydrophobicContact CG-CB 4.38Å; F151-V206 HydrophobicContact CG-CG1 4.29Å; F151-V206 HydrophobicContact CZ-CG2 3.67Å; F151-L271 HydrophobicContact CE1-CD1 4.06Å; F151-L271 HydrophobicContact CE1-CG 4.38Å; F151-L271 HydrophobicContact CE2-CD2 4.32Å; F151-L271 HydrophobicContact CZ-CD1 4.05Å; F151-L271 HydrophobicContact CZ-CD2 3.74Å; F151-L271 HydrophobicContact CZ-CG 3.91Å; F151-V275 HydrophobicContact CE1-CG2 3.77Å; F151-V275 HydrophobicContact CZ-CG2 4.24Å; F151-Y353 WeakPolarHBondContact CA-OH 3.4Å; F151-Y353 HydrophobicContact CD1-CE2 4.34Å; F151-Y353 PolarHBondContact O-OH 2.73Å; F151-F357 HydrophobicContact CB-CD2 3.7Å; F151-F357 HydrophobicContact CB-CE2 3.9Å; F151-L360 HydrophobicContact CB-CD2 4.25Å; F151-L360 HydrophobicContact CD1-CD2 4.25Å; F151-L360 HydrophobicContact CD2-CD2 3.77Å; F151-L360 HydrophobicContact CE2-CD2 4.11Å; F151-L360 HydrophobicContact CG-CD2 3.84Å; F151-L360 HydrophobicContact CZ-CD2 4.49Å |
| 152 | G | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -122.8 | -12.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | L148 R164 F165 | L148-G152 VanDerWaalsContact O-CA 3.26Å; L148-G152 WeakPolarHBondContact O-CA 3.49Å; L148-G152 PolarHBondContact O-N 2.6Å; G152-R164 PolarHBondContact O-N 2.78Å; G152-F165 WeakPolarHBondContact O-CD1 3.26Å |
| 153 | N | 90.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153 | 176.9 | -60.6 | 11.2 | 0 | 0 | 0 | 111.9 | E149 N161 S162 S163 F204 H205 | E149-N153 WeakPolarHBondContact O-CA 3.11Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.34Å; N153-N161 WeakPolarHBondContact CB-OD1 3.22Å; N153-N161 PolarHBondContact ND2-OD1 3.31Å; N153-S162 VanDerWaalsContact CA-O 3.27Å; N153-S162 WeakPolarHBondContact CA-O 3.48Å; N153-S162 WeakPolarHBondContact CB-O 3.46Å; N153-S163 PolarHBondContact ND2-OG 3.32Å; N153-S163 VanDerWaalsContact OD1-CA 3.22Å; N153-S163 WeakPolarHBondContact OD1-CA 3.39Å; N153-S163 WeakPolarHBondContact OD1-CB 3.38Å; N153-S163 PolarHBondContact OD1-OG 2.96Å; N153-F204 WeakPolarHBondContact O-CA 3.32Å; N153-H205 PolarHBondContact O-CD2 2.82Å; N153-H205 VanDerWaalsContact O-CD2 3.24Å; N153-H205 PolarHBondContact O-N 3.42Å |
| 154 | A | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 164.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S162 R164 N203 | A154-S162 PolarHBondContact N-O 3.48Å; A154-S162 WeakPolarHBondContact O-CB 3.34Å; A154-S162 PolarHBondContact O-N 2.89Å; A154-R164 HydrophobicContact CB-CG 4.21Å; A154-N203 WeakPolarHBondContact CB-O 3.41Å |
| 155 | K | 87 | Confident | 85.7 | Confident | 30 Ų | 30 | 22.2 Ų | 22.2 | 13% | 0.13 | 12% | 0.116 | C | C | . | . | trans | -82 | 123.4 | 172.4 | -176.6 | -112.7 | -180 | 174.4 | 0 | 110.2 | D160 G200 E201 R202 C239 V242 | K155-D160 VanDerWaalsContact CA-O 3.29Å; K155-D160 WeakPolarHBondContact CA-O 3.46Å; K155-D160 WeakPolarHBondContact CB-O 3.15Å; K155-D160 HydrophobicContact CG-CB 4.39Å; K155-G200 WeakPolarHBondContact CE-O 3.38Å; K155-G200 PolarHBondContact NZ-O 3.14Å; K155-E201 WeakPolarHBondContact O-CA 3.45Å; K155-E201 WeakPolarHBondContact O-CB 3.46Å; K155-R202 HydrophobicContact CB-CB 3.98Å; K155-R202 HydrophobicContact CB-CG 4.03Å; K155-R202 HydrophobicContact CD-CG 4.19Å; K155-R202 PolarHBondContact O-N 3.21Å; K155-C239 PolarHBondContact NZ-SG 3.17Å; K155-V242 HydrophobicContact CD-CG2 4.03Å; K155-V242 HydrophobicContact CG-CG2 4.19Å | ||
| 156 | T | 81.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -110.7 | 176.5 | 171.2 | 66.2 | 0 | 0 | 0 | 0 | 110.3 | K158 N159 E201 | T156-K158 PolarHBondContact O-N 3.4Å; T156-N159 PolarHBondContact N-O 3.25Å; T156-N159 PolarHBondContact OG1-N 3.36Å; T156-N159 PolarHBondContact OG1-O 2.81Å; T156-E201 WeakPolarHBondContact CB-OE1 3.23Å | ||
| 157 | L | 77.1 | Confident | 85.2 | Confident | 103 Ų | 103 | 20.4 Ų | 20.4 | 54% | 0.539 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -60.8 | -30.7 | 175.3 | -66.4 | 173.9 | 0 | 0 | 0 | 113.1 | E201 | L157-E201 HydrophobicContact CG-CG 4.37Š|
| 158 | K | 71 | Confident | 85.1 | Confident | 64 Ų | 64 | 20.4 Ų | 20.4 | 28% | 0.278 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -95.6 | -27.2 | -174.4 | -64.1 | -167.7 | -177.6 | -177.2 | 0 | 113.9 | T156 V396 F397 | T156-K158 PolarHBondContact O-N 3.4Å; K158-V396 PolarHBondContact NZ-O 3.42Å; K158-F397 HydrophobicContact CD-CE1 4.12Å; K158-F397 HydrophobicContact CG-CE1 4.38Å |
| 159 | N | 76.9 | Confident | 84.9 | Confident | 34 Ų | 34 | 20.4 Ų | 20.4 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | trans | -147.4 | 137.7 | -173.3 | -177.9 | 16 | 0 | 0 | 0 | 111 | S109 T156 N161 S162 | S109-N159 WeakPolarHBondContact OG-CB 3.4Å; T156-N159 PolarHBondContact N-O 3.25Å; T156-N159 PolarHBondContact OG1-N 3.36Å; T156-N159 PolarHBondContact OG1-O 2.81Å; N159-N161 PolarHBondContact ND2-O 2.95Å; N159-N161 PolarHBondContact OD1-N 2.96Å; N159-S162 WeakPolarHBondContact ND2-CA 3.44Å | ||
| 160 | D | 82.1 | Confident | 84.8 | Confident | 34 Ų | 34 | 18.8 Ų | 18.8 | 18% | 0.182 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -80.6 | -26.7 | -176.1 | -55.7 | -24.8 | 0 | 0 | 0 | 112.4 | K155 H205 S244 I245 K601 | K155-D160 VanDerWaalsContact CA-O 3.29Å; K155-D160 WeakPolarHBondContact CA-O 3.46Å; K155-D160 WeakPolarHBondContact CB-O 3.15Å; K155-D160 HydrophobicContact CG-CB 4.39Å; D160-H205 PolarHBondContact O-CE1 2.84Å; D160-S244 PolarHBondContact OD2-OG 3.38Å; D160-I245 HydrophobicContact CB-CD1 4.01Å; D160-I245 WeakPolarHBondContact O-CD1 3.32Å; D160-K601 IonicContact OD1-NZ 2.8Å; D160-K601 PolarHBondContact OD1-NZ 3.03Å; D160-K601 IonicContact OD2-NZ 2.86Å; D160-K601 PolarHBondContact OD2-NZ 3.39Å |
| 161 | N | 83.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 19 Ų | 19 | 31% | 0.31 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -126 | 68.9 | 176.9 | -171.3 | 17.2 | 0 | 0 | 0 | 109.2 | E149 N153 N159 H205 | E149-N161 PolarHBondContact OE2-ND2 2.97Å; N153-N161 WeakPolarHBondContact CB-OD1 3.22Å; N153-N161 PolarHBondContact ND2-OD1 3.31Å; N159-N161 PolarHBondContact ND2-O 2.95Å; N159-N161 PolarHBondContact OD1-N 2.96Å; N161-H205 PolarHBondContact OD1-NE2 2.71Å |
| 162 | S | 82.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.5 | -178.1 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | S109 N153 A154 N159 R164 | S109-S162 PolarHBondContact OG-OG 3.37Å; N153-S162 VanDerWaalsContact CA-O 3.27Å; N153-S162 WeakPolarHBondContact CA-O 3.48Å; N153-S162 WeakPolarHBondContact CB-O 3.46Å; A154-S162 PolarHBondContact N-O 3.48Å; A154-S162 WeakPolarHBondContact O-CB 3.34Å; A154-S162 PolarHBondContact O-N 2.89Å; N159-S162 WeakPolarHBondContact ND2-CA 3.44Å; S162-R164 WeakPolarHBondContact O-CG 3.18Å; S162-R164 PolarHBondContact O-N 3.04Å |
| 163 | S | 83.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 15% | 0.154 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 124.2 | 169.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | N153 | N153-S163 PolarHBondContact ND2-OG 3.32Å; N153-S163 VanDerWaalsContact OD1-CA 3.22Å; N153-S163 WeakPolarHBondContact OD1-CA 3.39Å; N153-S163 WeakPolarHBondContact OD1-CB 3.38Å; N153-S163 PolarHBondContact OD1-OG 2.96Å |
| 164 | R | 85.3 | Confident | 83.5 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | trans | -109.9 | 26.6 | 178.8 | -49.8 | -53.5 | -60.5 | 169.3 | -2.8 | 111.8 | G152 A154 S162 L188 L189 E190 F204 E395 | G152-R164 PolarHBondContact O-N 2.78Å; A154-R164 HydrophobicContact CB-CG 4.21Å; S162-R164 WeakPolarHBondContact O-CG 3.18Å; S162-R164 PolarHBondContact O-N 3.04Å; R164-L188 VanDerWaalsContact O-O 3.14Å; R164-L189 WeakPolarHBondContact O-CA 3.29Å; R164-E190 HydrophobicContact CB-CB 3.88Å; R164-E190 IonicContact CZ-OE1 3.16Å; R164-E190 IonicContact CZ-OE2 2.92Å; R164-E190 IonicContact NE-OE1 3.12Å; R164-E190 IonicContact NE-OE2 3.06Å; R164-E190 PolarHBondContact NE-OE2 3.44Å; R164-E190 IonicContact NH2-OE1 2.72Å; R164-E190 PolarHBondContact NH2-OE1 3.06Å; R164-E190 IonicContact NH2-OE2 3.86Å; R164-E190 PolarHBondContact NH2-OE2 3.23Å; R164-E190 PolarHBondContact O-N 3.06Å; R164-F204 HydrophobicContact CB-CE1 4.09Å; R164-F204 HydrophobicContact CG-CE1 4.48Å; R164-E395 IonicContact CZ-OE1 2.61Å; R164-E395 IonicContact CZ-OE2 2.95Å; R164-E395 VanDerWaalsContact NH1-CD 3.33Å; R164-E395 IonicContact NH1-OE1 3.43Å; R164-E395 PolarHBondContact NH1-OE1 3Å; R164-E395 IonicContact NH1-OE2 2.79Å; R164-E395 PolarHBondContact NH1-OE2 3.47Å; R164-E395 IonicContact NH2-OE1 2.82Å; R164-E395 IonicContact NH2-OE2 2.66Å; R164-E395 PolarHBondContact NH2-OE2 2.93Å; R164-E395 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 165 | F | 85.4 | Confident | 83 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -148.6 | 153.1 | 170.2 | 73.6 | -73.2 | 0 | 0 | 0 | 108.5 | L148 G152 K167 N186 Y187 L188 L189 F357 | L148-F165 HydrophobicContact CB-CZ 3.97Å; G152-F165 WeakPolarHBondContact O-CD1 3.26Å; F165-K167 HydrophobicContact CD2-CB 4.36Å; F165-K167 HydrophobicContact CE2-CB 3.74Å; F165-K167 HydrophobicContact CE2-CD 4.35Å; F165-K167 HydrophobicContact CE2-CG 4.13Å; F165-K167 HydrophobicContact CZ-CB 4.35Å; F165-K167 HydrophobicContact CZ-CD 4.44Å; F165-N186 HydrophobicContact CD2-CB 4.18Å; F165-Y187 CarbonylContact C-O 3.58Å; F165-Y187 WeakPolarHBondContact CA-O 3.47Å; F165-L188 WeakPolarHBondContact CA-O 3.22Å; F165-L189 HydrophobicContact CB-CB 4.44Å; F165-L189 HydrophobicContact CB-CD1 4.21Å; F165-F357 HydrophobicContact CB-CE1 4.46Å; F165-F357 HydrophobicContact CD1-CZ 4.09Å; F165-F357 HydrophobicContact CD2-CE1 4.04Å; F165-F357 AromaticContact CD2-CZ 3.81Å; F165-F357 HydrophobicContact CD2-CZ 3.81Å; F165-F357 HydrophobicContact CE1-CZ 4.19Å; F165-F357 AromaticContact CE2-CZ 3.9Å; F165-F357 HydrophobicContact CE2-CZ 3.9Å; F165-F357 HydrophobicContact CG-CE1 4.16Å; F165-F357 AromaticContact CG-CZ 3.92Å; F165-F357 HydrophobicContact CG-CZ 3.92Å; F165-F357 HydrophobicContact CZ-CZ 4.11Å |
| 166 | G | 81.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N186 Y187 | G166-N186 WeakPolarHBondContact O-CA 3.37Å; G166-Y187 PolarHBondContact N-O 2.9Å; G166-Y187 PolarHBondContact O-N 3.21Å |
| 167 | K | 84.9 | Confident | 82.1 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.5 | -179.2 | -173.3 | -179.4 | 65.6 | -176.6 | 0 | 109.5 | N145 L148 F165 M169 I184 D390 | N145-K167 PolarHBondContact OD1-NZ 3.38Å; L148-K167 HydrophobicContact CD1-CD 3.98Å; F165-K167 HydrophobicContact CD2-CB 4.36Å; F165-K167 HydrophobicContact CE2-CB 3.74Å; F165-K167 HydrophobicContact CE2-CD 4.35Å; F165-K167 HydrophobicContact CE2-CG 4.13Å; F165-K167 HydrophobicContact CZ-CB 4.35Å; F165-K167 HydrophobicContact CZ-CD 4.44Å; K167-M169 HydrophobicContact CD-CE 4.46Å; K167-M169 HydrophobicContact CD-CG 3.98Å; K167-M169 HydrophobicContact CD-SD 3.73Å; K167-M169 VanDerWaalsContact CE-SD 3.51Å; K167-M169 HydrophobicContact CG-CG 3.81Å; K167-M169 HydrophobicContact CG-SD 4.26Å; K167-I184 HydrophobicContact CG-CG2 4.09Å; K167-D390 PolarHBondContact N-O 3.5Å; K167-D390 PolarHBondContact O-N 3.3Å |
| 168 | Y | 87.3 | Confident | 82 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125 | 169 | -175.9 | -112.6 | 0 | 0 | 0 | 109.3 | D170 I184 L185 L388 L389 M583 L584 K587 | Y168-D170 VanDerWaalsContact CE1-CG 3.4Å; Y168-D170 WeakPolarHBondContact CE1-OD1 3.4Å; Y168-D170 WeakPolarHBondContact CE1-OD2 3.2Å; Y168-D170 PolarHBondContact OH-OD1 2.86Å; Y168-D170 VanDerWaalsContact OH-OD1 3.06Å; Y168-I184 CarbonylContact O-C 3.52Å; Y168-I184 WeakPolarHBondContact O-CA 3.46Å; Y168-L185 HydrophobicContact CD1-CB 4.48Å; Y168-L185 HydrophobicContact CD1-CD1 4.06Å; Y168-L185 PolarHBondContact N-O 3.48Å; Y168-L185 PolarHBondContact O-N 2.74Å; Y168-L388 CarbonylContact C-O 3.53Å; Y168-L388 WeakPolarHBondContact CA-O 3.24Å; Y168-L389 HydrophobicContact CD2-CB 3.79Å; Y168-L389 HydrophobicContact CD2-CD1 3.8Å; Y168-L389 HydrophobicContact CD2-CG 4.3Å; Y168-L389 HydrophobicContact CE2-CB 4.21Å; Y168-L389 HydrophobicContact CG-CD1 4.33Å; Y168-M583 HydrophobicContact CD1-CE 4.07Å; Y168-M583 HydrophobicContact CE1-CE 3.74Å; Y168-L584 HydrophobicContact CE2-CD2 4Å; Y168-K587 WeakPolarHBondContact OH-CD 3.3Å; Y168-K587 PolarHBondContact OH-NZ 3.43Å |
| 169 | M | 87.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.4 | -178.4 | -54.5 | -174.5 | -68.5 | 0 | 0 | 109.6 | S117 L121 K167 H183 I184 G387 L388 | S117-M169 WeakPolarHBondContact OG-CE 3.49Å; L121-M169 HydrophobicContact CD1-CE 3.62Å; L121-M169 HydrophobicContact CD1-SD 4.34Å; L121-M169 HydrophobicContact CG-CE 4.33Å; K167-M169 HydrophobicContact CD-CE 4.46Å; K167-M169 HydrophobicContact CD-CG 3.98Å; K167-M169 HydrophobicContact CD-SD 3.73Å; K167-M169 VanDerWaalsContact CE-SD 3.51Å; K167-M169 HydrophobicContact CG-CG 3.81Å; K167-M169 HydrophobicContact CG-SD 4.26Å; M169-H183 CarbonylContact C-O 3.55Å; M169-H183 WeakPolarHBondContact CA-O 3.44Å; M169-I184 HydrophobicContact CB-CG1 4.5Å; M169-I184 HydrophobicContact CG-CG1 4.03Å; M169-I184 HydrophobicContact CG-CG2 4.39Å; M169-G387 CarbonylContact O-C 3.59Å; M169-G387 WeakPolarHBondContact O-CA 3.15Å; M169-L388 HydrophobicContact CB-CB 4.44Å; M169-L388 HydrophobicContact CE-CB 4.23Å; M169-L388 HydrophobicContact CE-CD1 4.13Å; M169-L388 PolarHBondContact N-O 2.95Å; M169-L388 PolarHBondContact O-N 3.28Å |
| 170 | D | 87.7 | Confident | 82.2 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.2 | 170.9 | -84.5 | -22.4 | 0 | 0 | 0 | 109.5 | Y168 G182 H183 V385 G387 K587 | Y168-D170 VanDerWaalsContact CE1-CG 3.4Å; Y168-D170 WeakPolarHBondContact CE1-OD1 3.4Å; Y168-D170 WeakPolarHBondContact CE1-OD2 3.2Å; Y168-D170 PolarHBondContact OH-OD1 2.86Å; Y168-D170 VanDerWaalsContact OH-OD1 3.06Å; D170-G182 CarbonylContact O-C 3.57Å; D170-G182 VanDerWaalsContact O-CA 3.24Å; D170-G182 WeakPolarHBondContact O-CA 3.44Å; D170-H183 HydrophobicContact CB-CB 4.32Å; D170-H183 PolarHBondContact N-O 3Å; D170-H183 PolarHBondContact O-N 3.33Å; D170-V385 HydrophobicContact CB-CG1 3.57Å; D170-V385 VanDerWaalsContact OD1-CG1 3.25Å; D170-V385 WeakPolarHBondContact OD1-CG1 2.95Å; D170-G387 VanDerWaalsContact OD1-CA 3.29Å; D170-G387 WeakPolarHBondContact OD1-CA 3.28Å; D170-K587 IonicContact OD1-NZ 3.25Å; D170-K587 PolarHBondContact OD1-NZ 2.67Å; D170-K587 IonicContact OD2-NZ 3.42Å; D170-K587 PolarHBondContact OD2-NZ 2.85Å |
| 171 | I | 86.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.3 | 170.5 | -49.5 | 169.1 | 0 | 0 | 0 | 106.8 | L121 Y124 M141 F173 A179 V385 I386 L388 | L121-I171 HydrophobicContact CD2-CD1 3.63Å; L121-I171 HydrophobicContact CD2-CG1 4.35Å; Y124-I171 HydrophobicContact CD2-CD1 3.71Å; Y124-I171 HydrophobicContact CE2-CD1 4.25Å; M141-I171 HydrophobicContact CE-CG1 3.91Å; I171-F173 HydrophobicContact CB-CE2 3.77Å; I171-F173 HydrophobicContact CB-CZ 4.05Å; I171-F173 HydrophobicContact CG2-CD2 4.39Å; I171-F173 HydrophobicContact CG2-CE1 4.14Å; I171-F173 HydrophobicContact CG2-CE2 3.6Å; I171-F173 HydrophobicContact CG2-CZ 3.46Å; I171-F173 VanDerWaalsContact CG2-CZ 3.46Å; I171-F173 WeakPolarHBondContact O-CD2 3.08Å; I171-F173 WeakPolarHBondContact O-CE2 3.38Å; I171-A179 HydrophobicContact CG2-CB 4.38Å; I171-V385 WeakPolarHBondContact O-CA 3.16Å; I171-I386 PolarHBondContact N-O 2.93Å; I171-I386 PolarHBondContact O-N 3.29Å; I171-L388 HydrophobicContact CD1-CD1 4.1Å; I171-L388 HydrophobicContact CD1-CG 4.44Å |
| 172 | Q | 86.4 | Confident | 82 | Confident | 52 Ų | 52 | 21.8 Ų | 21.8 | 24% | 0.243 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.5 | -178.3 | -60.5 | -177.9 | 0.6 | 0 | 0 | 110 | A179 V180 G181 V385 | Q172-A179 CarbonylContact O-C 3.51Å; Q172-A179 WeakPolarHBondContact O-CA 3.29Å; Q172-V180 HydrophobicContact CB-CG2 4.04Å; Q172-V180 WeakPolarHBondContact O-CG2 3.47Å; Q172-V180 PolarHBondContact O-N 3.17Å; Q172-G181 PolarHBondContact N-O 3.38Å; Q172-V385 HydrophobicContact CG-CG2 4.26Å |
| 173 | F | 84 | Confident | 82.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143 | 177.1 | -59.3 | -90.2 | 0 | 0 | 0 | 110.7 | Y91 M94 I171 D178 A179 K383 T384 I386 | Y91-F173 HydrophobicContact CD2-CD1 4.43Å; Y91-F173 HydrophobicContact CD2-CE1 4.1Å; Y91-F173 HydrophobicContact CD2-CZ 4.39Å; Y91-F173 AromaticContact CE2-CD1 3.88Å; Y91-F173 HydrophobicContact CE2-CD1 3.88Å; Y91-F173 AromaticContact CE2-CE1 3.82Å; Y91-F173 HydrophobicContact CE2-CE1 3.82Å; M94-F173 HydrophobicContact CE-CB 3.6Å; M94-F173 HydrophobicContact CE-CD1 4.14Å; M94-F173 HydrophobicContact CE-CD2 3.67Å; M94-F173 HydrophobicContact CE-CE2 4.36Å; M94-F173 HydrophobicContact CE-CG 3.53Å; M94-F173 HydrophobicContact SD-CB 4.12Å; M94-F173 HydrophobicContact SD-CD2 3.46Å; M94-F173 WeakPolarHBondContact SD-CD2 3.4Å; M94-F173 HydrophobicContact SD-CE2 4.09Å; M94-F173 HydrophobicContact SD-CG 3.96Å; I171-F173 HydrophobicContact CB-CE2 3.77Å; I171-F173 HydrophobicContact CB-CZ 4.05Å; I171-F173 HydrophobicContact CG2-CD2 4.39Å; I171-F173 HydrophobicContact CG2-CE1 4.14Å; I171-F173 HydrophobicContact CG2-CE2 3.6Å; I171-F173 HydrophobicContact CG2-CZ 3.46Å; I171-F173 VanDerWaalsContact CG2-CZ 3.46Å; I171-F173 WeakPolarHBondContact O-CD2 3.08Å; I171-F173 WeakPolarHBondContact O-CE2 3.38Å; F173-D178 CarbonylContact C-O 3.57Å; F173-D178 VanDerWaalsContact CA-O 3.24Å; F173-D178 WeakPolarHBondContact CA-O 3.48Å; F173-A179 HydrophobicContact CD1-CB 4.23Å; F173-A179 HydrophobicContact CE1-CB 4.08Å; F173-K383 VanDerWaalsContact O-CA 3.31Å; F173-K383 WeakPolarHBondContact O-CA 3.45Å; F173-T384 PolarHBondContact N-O 3.46Å; F173-T384 PolarHBondContact O-N 2.95Å; F173-I386 HydrophobicContact CD2-CD1 4.4Å; F173-I386 HydrophobicContact CD2-CG1 4.14Å; F173-I386 HydrophobicContact CE2-CB 3.85Å; F173-I386 HydrophobicContact CE2-CD1 3.7Å; F173-I386 HydrophobicContact CE2-CG1 3.61Å; F173-I386 HydrophobicContact CZ-CD1 4.1Å; F173-I386 HydrophobicContact CZ-CG1 4.47Å |
| 174 | D | 82.6 | Confident | 82.4 | Confident | 35 Ų | 35 | 24 Ų | 24 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | trans | -79.4 | -178.8 | 169.1 | 73.3 | 10.2 | 0 | 0 | 0 | 112.1 | Q176 G177 D178 V180 | D174-Q176 PolarHBondContact O-N 3.17Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.18Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.42Å; D174-Q176 PolarHBondContact OD1-N 3.16Å; D174-G177 PolarHBondContact O-N 3.43Å; D174-G177 VanDerWaalsContact O-N 3.17Å; D174-G177 PolarHBondContact OD1-N 2.94Å; D174-D178 PolarHBondContact N-O 3.42Å; D174-D178 PolarHBondContact OD1-N 3.43Å; D174-V180 HydrophobicContact CB-CG1 3.74Å | ||
| 175 | S | 77.9 | Confident | 82.4 | Confident | 58 Ų | 58 | 26 Ų | 26 | 41% | 0.406 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.7 | 179.3 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 176 | Q | 75.3 | Confident | 82.4 | Confident | 147 Ų | 147 | 27.3 Ų | 27.3 | 69% | 0.687 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -11.6 | 173.3 | -58.6 | -57.1 | -46.3 | 0 | 0 | 111.9 | D174 | D174-Q176 PolarHBondContact O-N 3.17Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.18Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.42Å; D174-Q176 PolarHBondContact OD1-N 3.16Å |
| 177 | G | 74.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 93 | 14.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y91 D174 | Y91-G177 WeakPolarHBondContact CE2-O 3.45Å; Y91-G177 PolarHBondContact OH-O 2.79Å; D174-G177 PolarHBondContact O-N 3.43Å; D174-G177 VanDerWaalsContact O-N 3.17Å; D174-G177 PolarHBondContact OD1-N 2.94Å |
| 178 | D | 75.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | trans | -84.9 | 133.9 | 176.8 | -69.5 | -21.8 | 0 | 0 | 0 | 110.8 | P129 M134 F173 D174 V180 | P129-D178 WeakPolarHBondContact CB-OD1 3.22Å; P129-D178 VanDerWaalsContact CD-OD1 3.24Å; P129-D178 WeakPolarHBondContact CD-OD1 3.47Å; P129-D178 VanDerWaalsContact CG-OD1 3.28Å; P129-D178 WeakPolarHBondContact CG-OD1 3.47Å; M134-D178 VanDerWaalsContact CE-CA 3.47Å; M134-D178 HydrophobicContact CE-CB 3.63Å; F173-D178 CarbonylContact C-O 3.57Å; F173-D178 VanDerWaalsContact CA-O 3.24Å; F173-D178 WeakPolarHBondContact CA-O 3.48Å; D174-D178 PolarHBondContact N-O 3.42Å; D174-D178 PolarHBondContact OD1-N 3.43Å; D178-V180 PolarHBondContact O-N 2.85Å; D178-V180 VanDerWaalsContact O-N 3.15Å | ||
| 179 | A | 76.3 | Confident | 81.5 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 21% | 0.207 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 106.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M134 I171 Q172 F173 | M134-A179 HydrophobicContact CE-CB 4.03Å; I171-A179 HydrophobicContact CG2-CB 4.38Å; Q172-A179 CarbonylContact O-C 3.51Å; Q172-A179 WeakPolarHBondContact O-CA 3.29Å; F173-A179 HydrophobicContact CD1-CB 4.23Å; F173-A179 HydrophobicContact CE1-CB 4.08Å |
| 180 | V | 76.4 | Confident | 81.3 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -9.7 | -175.6 | -70.1 | 0 | 0 | 0 | 0 | 113.9 | Q172 D174 D178 N370 K383 | Q172-V180 HydrophobicContact CB-CG2 4.04Å; Q172-V180 WeakPolarHBondContact O-CG2 3.47Å; Q172-V180 PolarHBondContact O-N 3.17Å; D174-V180 HydrophobicContact CB-CG1 3.74Å; D178-V180 PolarHBondContact O-N 2.85Å; D178-V180 VanDerWaalsContact O-N 3.15Å; V180-N370 PolarHBondContact O-ND2 2.95Å; V180-K383 HydrophobicContact CG2-CD 4.48Å |
| 181 | G | 79.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q172 | Q172-G181 PolarHBondContact N-O 3.38Å |
| 182 | G | 82.5 | Confident | 80.9 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D170 | D170-G182 CarbonylContact O-C 3.57Å; D170-G182 VanDerWaalsContact O-CA 3.24Å; D170-G182 WeakPolarHBondContact O-CA 3.44Å |
| 183 | H | 86.5 | Confident | 80.9 | Confident | 69 Ų | 69 | 33.3 Ų | 33.3 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 124.7 | 173.1 | -171.9 | 71.4 | 0 | 0 | 0 | 110.3 | M169 D170 L185 | M169-H183 CarbonylContact C-O 3.55Å; M169-H183 WeakPolarHBondContact CA-O 3.44Å; D170-H183 HydrophobicContact CB-CB 4.32Å; D170-H183 PolarHBondContact N-O 3Å; D170-H183 PolarHBondContact O-N 3.33Å; H183-L185 WeakPolarHBondContact NE2-CD2 3.42Å |
| 184 | I | 87.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.4 | 180 | -58.6 | 173.9 | 0 | 0 | 0 | 108.4 | L148 K167 Y168 M169 V361 I364 N365 M368 | L148-I184 HydrophobicContact CD1-CD1 4.12Å; L148-I184 HydrophobicContact CD1-CG2 4.24Å; K167-I184 HydrophobicContact CG-CG2 4.09Å; Y168-I184 CarbonylContact O-C 3.52Å; Y168-I184 WeakPolarHBondContact O-CA 3.46Å; M169-I184 HydrophobicContact CB-CG1 4.5Å; M169-I184 HydrophobicContact CG-CG1 4.03Å; M169-I184 HydrophobicContact CG-CG2 4.39Å; I184-V361 HydrophobicContact CB-CG1 4.33Å; I184-V361 HydrophobicContact CG2-CG1 4.17Å; I184-V361 VanDerWaalsContact O-CG1 3.32Å; I184-V361 WeakPolarHBondContact O-CG1 3.34Å; I184-I364 HydrophobicContact CD1-CG2 3.99Å; I184-N365 PolarHBondContact N-OD1 2.79Å; I184-N365 PolarHBondContact O-ND2 3.5Å; I184-M368 HydrophobicContact CD1-CE 3.85Å; I184-M368 HydrophobicContact CD1-SD 4.37Å; I184-M368 HydrophobicContact CG1-CE 3.84Å |
| 185 | L | 85.3 | Confident | 81.4 | Confident | 46 Ų | 46 | 32.4 Ų | 32.4 | 24% | 0.241 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.2 | 169.4 | -66.3 | 171.9 | 0 | 0 | 0 | 108.8 | Y168 H183 Y187 M583 | Y168-L185 HydrophobicContact CD1-CB 4.48Å; Y168-L185 HydrophobicContact CD1-CD1 4.06Å; Y168-L185 PolarHBondContact N-O 3.48Å; Y168-L185 PolarHBondContact O-N 2.74Å; H183-L185 WeakPolarHBondContact NE2-CD2 3.42Å; L185-Y187 HydrophobicContact CB-CE2 3.73Å; L185-Y187 WeakPolarHBondContact CD1-OH 3.5Å; L185-M583 HydrophobicContact CD1-CE 3.39Å |
| 186 | N | 85.9 | Confident | 81.7 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.7 | 171.4 | 64.4 | -54.2 | 0 | 0 | 0 | 110.2 | F165 G166 F357 V361 | F165-N186 HydrophobicContact CD2-CB 4.18Å; G166-N186 WeakPolarHBondContact O-CA 3.37Å; N186-F357 HydrophobicContact CB-CE1 3.97Å; N186-V361 HydrophobicContact CB-CG1 4.42Å; N186-V361 HydrophobicContact CB-CG2 4.05Å |
| 187 | Y | 76.6 | Confident | 82.1 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 11% | 0.106 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.7 | 174.3 | -59.3 | -82 | 0 | 0 | 0 | 108.4 | F165 G166 L185 L189 L580 | F165-Y187 CarbonylContact C-O 3.58Å; F165-Y187 WeakPolarHBondContact CA-O 3.47Å; G166-Y187 PolarHBondContact N-O 2.9Å; G166-Y187 PolarHBondContact O-N 3.21Å; L185-Y187 HydrophobicContact CB-CE2 3.73Å; L185-Y187 WeakPolarHBondContact CD1-OH 3.5Å; Y187-L189 PolarHBondContact O-N 3.01Å; Y187-L580 HydrophobicContact CE1-CB 4.35Å; Y187-L580 HydrophobicContact CE2-CD1 4.04Å; Y187-L580 HydrophobicContact CE2-CD2 4.41Å |
| 188 | L | 72.6 | Confident | 82.4 | Confident | 52 Ų | 52 | 30.9 Ų | 30.9 | 27% | 0.272 | 16% | 0.162 | S | C | . | . | trans | 60.4 | 55.8 | 157.3 | -58.6 | 153.9 | 0 | 0 | 0 | 115.2 | R164 F165 E190 Y392 F573 | R164-L188 VanDerWaalsContact O-O 3.14Å; F165-L188 WeakPolarHBondContact CA-O 3.22Å; L188-E190 PolarHBondContact O-N 3.23Å; L188-Y392 HydrophobicContact CB-CE1 4.13Å; L188-Y392 HydrophobicContact CD1-CE1 4.28Å; L188-Y392 WeakPolarHBondContact CD1-OH 3.35Å; L188-F573 HydrophobicContact CD1-CD2 3.28Å; L188-F573 HydrophobicContact CD1-CE2 3.03Å; L188-F573 HydrophobicContact CD1-CZ 4.14Å; L188-F573 HydrophobicContact CD2-CB 3.81Å; L188-F573 HydrophobicContact CD2-CD2 3.03Å; L188-F573 HydrophobicContact CD2-CE2 3.66Å; L188-F573 HydrophobicContact CD2-CG 3.57Å; L188-F573 HydrophobicContact CG-CD2 3.63Å; L188-F573 HydrophobicContact CG-CE2 3.89Å | ||
| 189 | L | 84.9 | Confident | 82.8 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | trans | -60.1 | 126.6 | 163.3 | -175 | 71.4 | 0 | 0 | 0 | 109.7 | R164 F165 Y187 K191 F204 Y353 F357 | R164-L189 WeakPolarHBondContact O-CA 3.29Å; F165-L189 HydrophobicContact CB-CB 4.44Å; F165-L189 HydrophobicContact CB-CD1 4.21Å; Y187-L189 PolarHBondContact O-N 3.01Å; L189-K191 PolarHBondContact O-N 3.34Å; L189-F204 HydrophobicContact CD1-CE1 3.91Å; L189-F204 HydrophobicContact CD1-CZ 3.75Å; L189-F204 HydrophobicContact CG-CZ 4.25Å; L189-Y353 HydrophobicContact CD2-CD1 3.98Å; L189-Y353 HydrophobicContact CD2-CE1 4.08Å; L189-F357 HydrophobicContact CB-CD1 4.22Å; L189-F357 HydrophobicContact CB-CE1 4.4Å; L189-F357 HydrophobicContact CD1-CD1 4.09Å; L189-F357 HydrophobicContact CD1-CE1 4.05Å; L189-F357 HydrophobicContact CD1-CG 4.4Å; L189-F357 HydrophobicContact CD1-CZ 4.33Å; L189-F357 HydrophobicContact CD2-CB 3.83Å; L189-F357 HydrophobicContact CD2-CD1 3.78Å; L189-F357 HydrophobicContact CD2-CG 3.88Å; L189-F357 HydrophobicContact CG-CD1 4.26Å | ||
| 190 | E | 82.7 | Confident | 83.1 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | trans | -69.7 | 74.8 | 174.4 | -169.2 | -175.2 | -142.9 | 0 | 0 | 111 | R164 L188 S192 R193 E403 | R164-E190 HydrophobicContact CB-CB 3.88Å; R164-E190 IonicContact CZ-OE1 3.16Å; R164-E190 IonicContact CZ-OE2 2.92Å; R164-E190 IonicContact NE-OE1 3.12Å; R164-E190 IonicContact NE-OE2 3.06Å; R164-E190 PolarHBondContact NE-OE2 3.44Å; R164-E190 IonicContact NH2-OE1 2.72Å; R164-E190 PolarHBondContact NH2-OE1 3.06Å; R164-E190 IonicContact NH2-OE2 3.86Å; R164-E190 PolarHBondContact NH2-OE2 3.23Å; R164-E190 PolarHBondContact O-N 3.06Å; L188-E190 PolarHBondContact O-N 3.23Å; E190-S192 PolarHBondContact O-N 3.44Å; E190-R193 HydrophobicContact CG-CB 4.28Å; E190-R193 WeakPolarHBondContact O-CB 3.45Å; E190-R193 PolarHBondContact O-N 2.87Å; E190-R193 VanDerWaalsContact O-N 3.1Å; E190-R193 IonicContact OE1-NH2 3.94Å; E190-R193 PolarHBondContact OE1-NH2 3.42Å; E190-R193 IonicContact OE2-CZ 3.95Å; E190-R193 VanDerWaalsContact OE2-CZ 3.28Å; E190-R193 IonicContact OE2-NE 3.33Å; E190-R193 PolarHBondContact OE2-NE 3.45Å; E190-R193 IonicContact OE2-NH2 3.74Å; E190-R193 PolarHBondContact OE2-NH2 3.33Å; E190-E403 HydrophobicContact CG-CB 4.48Å; E190-E403 HydrophobicContact CG-CG 3.93Å | ||
| 191 | K | 84.1 | Confident | 83.5 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 27% | 0.265 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -56.9 | -34.5 | -176 | -59.4 | -177.4 | -165.4 | 170.3 | 0 | 113 | L189 R193 V194 K350 D533 | L189-K191 PolarHBondContact O-N 3.34Å; K191-R193 PolarHBondContact O-N 3.31Å; K191-R193 VanDerWaalsContact O-N 3.15Å; K191-V194 WeakPolarHBondContact O-CB 3.44Å; K191-V194 VanDerWaalsContact O-CG2 3.31Å; K191-V194 WeakPolarHBondContact O-CG2 3.28Å; K191-V194 PolarHBondContact O-N 2.89Å; K191-K350 HydrophobicContact CB-CB 4.2Å; K191-K350 HydrophobicContact CB-CD 4.33Å; K191-K350 HydrophobicContact CB-CG 4.25Å; K191-K350 WeakPolarHBondContact O-CG 3.1Å; K191-D533 IonicContact NZ-OD2 3.76Å; K191-D533 PolarHBondContact NZ-OD2 2.75Å |
| 192 | S | 81.3 | Confident | 84 | Confident | 25 Ų | 25 | 34 Ų | 34 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -57.7 | -28.3 | 179.8 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | E190 V194 V195 H196 E403 | E190-S192 PolarHBondContact O-N 3.44Å; S192-V194 PolarHBondContact O-N 3.42Å; S192-V195 WeakPolarHBondContact O-CG2 3.38Å; S192-V195 PolarHBondContact O-N 3.28Å; S192-V195 VanDerWaalsContact O-N 3.15Å; S192-H196 PolarHBondContact O-N 2.9Å; S192-E403 WeakPolarHBondContact CB-OE1 3.18Å; S192-E403 WeakPolarHBondContact OG-CG 3.34Å; S192-E403 PolarHBondContact OG-OE1 3Å |
| 193 | R | 87.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -60.6 | -26.9 | 176.2 | -173.8 | 168.2 | -63.6 | -79.7 | -10.6 | 113.7 | E190 K191 V195 H196 Q197 E201 R202 N203 F204 | E190-R193 HydrophobicContact CG-CB 4.28Å; E190-R193 WeakPolarHBondContact O-CB 3.45Å; E190-R193 PolarHBondContact O-N 2.87Å; E190-R193 VanDerWaalsContact O-N 3.1Å; E190-R193 IonicContact OE1-NH2 3.94Å; E190-R193 PolarHBondContact OE1-NH2 3.42Å; E190-R193 IonicContact OE2-CZ 3.95Å; E190-R193 VanDerWaalsContact OE2-CZ 3.28Å; E190-R193 IonicContact OE2-NE 3.33Å; E190-R193 PolarHBondContact OE2-NE 3.45Å; E190-R193 IonicContact OE2-NH2 3.74Å; E190-R193 PolarHBondContact OE2-NH2 3.33Å; K191-R193 PolarHBondContact O-N 3.31Å; K191-R193 VanDerWaalsContact O-N 3.15Å; R193-V195 PolarHBondContact O-N 2.69Å; R193-H196 WeakPolarHBondContact CA-O 3.48Å; R193-Q197 HydrophobicContact CG-CG 4.48Å; R193-Q197 PolarHBondContact O-NE2 2.91Å; R193-E201 IonicContact CZ-OE2 2.89Å; R193-E201 IonicContact NH1-OE2 3.04Å; R193-E201 PolarHBondContact NH1-OE2 3.2Å; R193-E201 IonicContact NH2-OE2 2.98Å; R193-E201 PolarHBondContact NH2-OE2 3.17Å; R193-R202 PolarHBondContact NH1-O 2.96Å; R193-N203 VanDerWaalsContact O-CG 3.31Å; R193-N203 PolarHBondContact O-ND2 3.26Å; R193-N203 PolarHBondContact O-OD1 2.55Å; R193-N203 VanDerWaalsContact O-OD1 3.14Å; R193-F204 HydrophobicContact CB-CE2 4.03Å; R193-F204 HydrophobicContact CB-CZ 4.18Å; R193-F204 HydrophobicContact CG-CE2 4.35Å |
| 194 | V | 90.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -60 | -38.2 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | K191 S192 N203 F204 V278 A349 Y353 | K191-V194 WeakPolarHBondContact O-CB 3.44Å; K191-V194 VanDerWaalsContact O-CG2 3.31Å; K191-V194 WeakPolarHBondContact O-CG2 3.28Å; K191-V194 PolarHBondContact O-N 2.89Å; S192-V194 PolarHBondContact O-N 3.42Å; V194-N203 PolarHBondContact O-ND2 3.18Å; V194-F204 HydrophobicContact CG2-CD2 4.14Å; V194-F204 HydrophobicContact CG2-CE2 3.77Å; V194-V278 HydrophobicContact CG1-CG1 3.58Å; V194-A349 HydrophobicContact CG1-CB 4.44Å; V194-Y353 HydrophobicContact CG2-CD1 3.49Å; V194-Y353 VanDerWaalsContact CG2-CD1 3.49Å; V194-Y353 HydrophobicContact CG2-CD2 4.45Å; V194-Y353 HydrophobicContact CG2-CE1 4.1Å; V194-Y353 HydrophobicContact CG2-CG 3.69Å |
| 195 | V | 87.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.085 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -23.3 | -171.5 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | S192 R193 Y233 Q236 D346 A349 K350 | S192-V195 WeakPolarHBondContact O-CG2 3.38Å; S192-V195 PolarHBondContact O-N 3.28Å; S192-V195 VanDerWaalsContact O-N 3.15Å; R193-V195 PolarHBondContact O-N 2.69Å; V195-Y233 HydrophobicContact CB-CD1 4.43Å; V195-Y233 HydrophobicContact CB-CE1 3.95Å; V195-Y233 HydrophobicContact CG1-CE1 3.98Å; V195-Y233 HydrophobicContact CG1-CE2 4.33Å; V195-Q236 PolarHBondContact O-NE2 2.81Å; V195-Q236 PolarHBondContact O-OE1 3.04Å; V195-D346 HydrophobicContact CB-CB 4.13Å; V195-D346 HydrophobicContact CG1-CB 3.86Å; V195-D346 HydrophobicContact CG2-CB 4.26Å; V195-A349 HydrophobicContact CG1-CB 3.9Å; V195-K350 HydrophobicContact CG1-CG 3.93Å; V195-K350 HydrophobicContact CG2-CD 4.04Å; V195-K350 HydrophobicContact CG2-CG 4.17Å |
| 196 | H | 83.7 | Confident | 85.6 | Confident | 100 Ų | 100 | 28.6 Ų | 28.6 | 46% | 0.463 | 14% | 0.143 | S | C | . | . | trans | -138.3 | 134.9 | -177.2 | -179.2 | -85.1 | 0 | 0 | 0 | 113.1 | S192 R193 Q236 | S192-H196 PolarHBondContact O-N 2.9Å; R193-H196 WeakPolarHBondContact CA-O 3.48Å; H196-Q236 VanDerWaalsContact CA-OE1 3.28Å | ||
| 197 | Q | 84.1 | Confident | 86 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | trans | -130.8 | 142.8 | 172.9 | -51.7 | 85.2 | 42.1 | 0 | 0 | 111.4 | R193 E201 N203 Y233 | R193-Q197 HydrophobicContact CG-CG 4.48Å; R193-Q197 PolarHBondContact O-NE2 2.91Å; Q197-E201 HydrophobicContact CB-CB 4.46Å; Q197-N203 HydrophobicContact CG-CB 4.32Å; Q197-N203 PolarHBondContact NE2-ND2 2.98Å; Q197-N203 VanDerWaalsContact NE2-ND2 3.15Å; Q197-Y233 PolarHBondContact NE2-O 3.03Å; Q197-Y233 PolarHBondContact OE1-O 2.87Å; Q197-Y233 VanDerWaalsContact OE1-O 3.14Å | ||
| 198 | N | 80.4 | Confident | 86.8 | Confident | 68 Ų | 68 | 25.9 Ų | 25.9 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | trans | -71.7 | 155.9 | 173.2 | -67.2 | -28.3 | 0 | 0 | 0 | 110.7 | G200 E201 | N198-G200 PolarHBondContact O-N 3.15Å; N198-E201 HydrophobicContact CB-CG 4.07Å; N198-E201 WeakPolarHBondContact O-CB 3.32Å; N198-E201 PolarHBondContact O-N 3.42Å | ||
| 199 | H | 81.9 | Confident | 87.7 | Confident | 137 Ų | 137 | 23.9 Ų | 23.9 | 63% | 0.634 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 128.6 | 175.7 | -180 | 79.5 | 0 | 0 | 0 | 111.1 | E238 | H199-E238 IonicContact CE1-OE2 3.72Å; H199-E238 PolarHBondContact CE1-OE2 2.56Å; H199-E238 IonicContact ND1-OE2 3.7Å; H199-E238 PolarHBondContact ND1-OE2 3.03Å |
| 200 | G | 82.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 3.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | K155 N198 G237 | K155-G200 WeakPolarHBondContact CE-O 3.38Å; K155-G200 PolarHBondContact NZ-O 3.14Å; N198-G200 PolarHBondContact O-N 3.15Å; G200-G237 WeakPolarHBondContact CA-O 3.19Å; G200-G237 PolarHBondContact N-O 2.92Å |
| 201 | E | 86.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | trans | -102.8 | 167.8 | 173.7 | -57.9 | -158.5 | 149.2 | 0 | 0 | 112.7 | K155 T156 L157 R193 Q197 N198 G237 | K155-E201 WeakPolarHBondContact O-CA 3.45Å; K155-E201 WeakPolarHBondContact O-CB 3.46Å; T156-E201 WeakPolarHBondContact CB-OE1 3.23Å; L157-E201 HydrophobicContact CG-CG 4.37Å; R193-E201 IonicContact CZ-OE2 2.89Å; R193-E201 IonicContact NH1-OE2 3.04Å; R193-E201 PolarHBondContact NH1-OE2 3.2Å; R193-E201 IonicContact NH2-OE2 2.98Å; R193-E201 PolarHBondContact NH2-OE2 3.17Å; Q197-E201 HydrophobicContact CB-CB 4.46Å; N198-E201 HydrophobicContact CB-CG 4.07Å; N198-E201 WeakPolarHBondContact O-CB 3.32Å; N198-E201 PolarHBondContact O-N 3.42Å; E201-G237 WeakPolarHBondContact O-CA 3.39Å | ||
| 202 | R | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -115.4 | 162.2 | 171.2 | -68.3 | -157.7 | -62.7 | 172.3 | 4.4 | 111.8 | K155 R193 H205 Y208 C239 D247 | K155-R202 HydrophobicContact CB-CB 3.98Å; K155-R202 HydrophobicContact CB-CG 4.03Å; K155-R202 HydrophobicContact CD-CG 4.19Å; K155-R202 PolarHBondContact O-N 3.21Å; R193-R202 PolarHBondContact NH1-O 2.96Å; R202-H205 PolarHBondContact NH2-ND1 2.86Å; R202-Y208 HydrophobicContact CB-CE2 3.74Å; R202-Y208 HydrophobicContact CG-CE2 4.26Å; R202-C239 WeakPolarHBondContact CD-O 3.33Å; R202-C239 WeakPolarHBondContact CG-O 3.48Å; R202-D247 IonicContact CZ-OD2 2.79Å; R202-D247 IonicContact NH1-OD1 3.55Å; R202-D247 IonicContact NH1-OD2 2.91Å; R202-D247 PolarHBondContact NH1-OD2 3.23Å; R202-D247 IonicContact NH2-OD1 3.37Å; R202-D247 IonicContact NH2-OD2 2.94Å | ||
| 203 | N | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -70.6 | -177.2 | 161 | -150.5 | -31.7 | 0 | 0 | 0 | 110.1 | A154 R193 V194 Q197 F207 Y208 Y233 L234 | A154-N203 WeakPolarHBondContact CB-O 3.41Å; R193-N203 VanDerWaalsContact O-CG 3.31Å; R193-N203 PolarHBondContact O-ND2 3.26Å; R193-N203 PolarHBondContact O-OD1 2.55Å; R193-N203 VanDerWaalsContact O-OD1 3.14Å; V194-N203 PolarHBondContact O-ND2 3.18Å; Q197-N203 HydrophobicContact CG-CB 4.32Å; Q197-N203 PolarHBondContact NE2-ND2 2.98Å; Q197-N203 VanDerWaalsContact NE2-ND2 3.15Å; N203-F207 HydrophobicContact CB-CD2 4.22Å; N203-F207 WeakPolarHBondContact OD1-CE2 3.43Å; N203-Y208 HydrophobicContact CB-CE2 3.96Å; N203-Y208 PolarHBondContact N-OH 3.32Å; N203-Y208 VanDerWaalsContact N-OH 3.09Å; N203-Y233 PolarHBondContact ND2-O 2.72Å; N203-L234 HydrophobicContact CB-CD2 3.85Å | ||
| 204 | F | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 144.8 | 177 | -65.6 | -73.9 | 0 | 0 | 0 | 112.4 | F151 N153 R164 L189 R193 V194 V206 F207 Y208 Y353 | F151-F204 WeakPolarHBondContact O-CD1 3.37Å; N153-F204 WeakPolarHBondContact O-CA 3.32Å; R164-F204 HydrophobicContact CB-CE1 4.09Å; R164-F204 HydrophobicContact CG-CE1 4.48Å; L189-F204 HydrophobicContact CD1-CE1 3.91Å; L189-F204 HydrophobicContact CD1-CZ 3.75Å; L189-F204 HydrophobicContact CG-CZ 4.25Å; R193-F204 HydrophobicContact CB-CE2 4.03Å; R193-F204 HydrophobicContact CB-CZ 4.18Å; R193-F204 HydrophobicContact CG-CE2 4.35Å; V194-F204 HydrophobicContact CG2-CD2 4.14Å; V194-F204 HydrophobicContact CG2-CE2 3.77Å; F204-V206 HydrophobicContact CB-CG1 4.36Å; F204-V206 PolarHBondContact O-N 3.41Å; F204-F207 HydrophobicContact CB-CD2 4.19Å; F204-F207 HydrophobicContact CB-CE2 4.25Å; F204-F207 HydrophobicContact CD2-CE2 4.39Å; F204-F207 PolarHBondContact O-N 3.24Å; F204-Y208 WeakPolarHBondContact O-CD2 3.33Å; F204-Y353 VanDerWaalsContact CB-OH 3.27Å; F204-Y353 WeakPolarHBondContact CB-OH 3.34Å; F204-Y353 HydrophobicContact CD2-CD1 4.39Å; F204-Y353 AromaticContact CD2-CE1 3.51Å; F204-Y353 HydrophobicContact CD2-CE1 3.51Å; F204-Y353 AromaticContact CD2-CZ 3.65Å; F204-Y353 WeakPolarHBondContact CD2-OH 3.38Å; F204-Y353 HydrophobicContact CE2-CD1 4.26Å; F204-Y353 AromaticContact CE2-CE1 3.62Å; F204-Y353 HydrophobicContact CE2-CE1 3.62Å; F204-Y353 HydrophobicContact CG-CE1 4.14Å; F204-Y353 WeakPolarHBondContact CG-OH 3.05Å; F204-Y353 HydrophobicContact CZ-CE1 4.32Å |
| 205 | H | 93.4 | Very high | 89 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -33.4 | -173 | -64.1 | -49.2 | 0 | 0 | 0 | 113.7 | A150 N153 D160 N161 R202 F207 Y208 Q209 | A150-H205 PolarHBondContact O-N 3.14Å; N153-H205 PolarHBondContact O-CD2 2.82Å; N153-H205 VanDerWaalsContact O-CD2 3.24Å; N153-H205 PolarHBondContact O-N 3.42Å; D160-H205 PolarHBondContact O-CE1 2.84Å; N161-H205 PolarHBondContact OD1-NE2 2.71Å; R202-H205 PolarHBondContact NH2-ND1 2.86Å; H205-F207 PolarHBondContact O-N 3.17Å; H205-F207 VanDerWaalsContact O-N 3.13Å; H205-Y208 PolarHBondContact O-N 3.34Å; H205-Y208 VanDerWaalsContact O-N 3.12Å; H205-Q209 WeakPolarHBondContact O-CB 3.43Å; H205-Q209 VanDerWaalsContact O-CG 3.25Å; H205-Q209 WeakPolarHBondContact O-CG 3.27Å; H205-Q209 PolarHBondContact O-N 2.77Å |
| 206 | V | 95.1 | Very high | 89 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55 | -34 | -178.3 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | A150 F151 F204 L210 V275 Y353 | A150-V206 HydrophobicContact CB-CB 4.29Å; A150-V206 WeakPolarHBondContact O-CB 3.16Å; A150-V206 PolarHBondContact O-N 3.37Å; F151-V206 HydrophobicContact CD1-CB 4.48Å; F151-V206 HydrophobicContact CD1-CG1 4.06Å; F151-V206 HydrophobicContact CD1-CG2 4.41Å; F151-V206 HydrophobicContact CD2-CB 4.33Å; F151-V206 HydrophobicContact CD2-CG2 4.2Å; F151-V206 HydrophobicContact CE1-CG1 4.3Å; F151-V206 HydrophobicContact CE1-CG2 4Å; F151-V206 HydrophobicContact CE2-CB 4.4Å; F151-V206 HydrophobicContact CE2-CG2 3.77Å; F151-V206 HydrophobicContact CG-CB 4.38Å; F151-V206 HydrophobicContact CG-CG1 4.29Å; F151-V206 HydrophobicContact CZ-CG2 3.67Å; F204-V206 HydrophobicContact CB-CG1 4.36Å; F204-V206 PolarHBondContact O-N 3.41Å; V206-L210 VanDerWaalsContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CB 3.42Å; V206-L210 PolarHBondContact O-N 3.16Å; V206-V275 HydrophobicContact CG2-CG1 4.47Å; V206-V275 HydrophobicContact CG2-CG2 4.41Å; V206-Y353 HydrophobicContact CG1-CE2 4.27Å |
| 207 | F | 94.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 179.2 | -64.2 | -67.8 | 0 | 0 | 0 | 111.6 | N203 F204 H205 L210 V211 L234 V275 V278 L279 Y353 | N203-F207 HydrophobicContact CB-CD2 4.22Å; N203-F207 WeakPolarHBondContact OD1-CE2 3.43Å; F204-F207 HydrophobicContact CB-CD2 4.19Å; F204-F207 HydrophobicContact CB-CE2 4.25Å; F204-F207 HydrophobicContact CD2-CE2 4.39Å; F204-F207 PolarHBondContact O-N 3.24Å; H205-F207 PolarHBondContact O-N 3.17Å; H205-F207 VanDerWaalsContact O-N 3.13Å; F207-L210 PolarHBondContact O-N 3.24Å; F207-V211 WeakPolarHBondContact O-CG2 3.22Å; F207-V211 PolarHBondContact O-N 3.33Å; F207-V211 VanDerWaalsContact O-N 3.14Å; F207-L234 HydrophobicContact CB-CD1 4.28Å; F207-L234 HydrophobicContact CB-CD2 3.63Å; F207-L234 HydrophobicContact CD2-CD2 4.41Å; F207-L234 HydrophobicContact CG-CD2 4.14Å; F207-V275 HydrophobicContact CD1-CG1 3.51Å; F207-V275 HydrophobicContact CE1-CG1 3.61Å; F207-V278 HydrophobicContact CE1-CB 4.25Å; F207-V278 HydrophobicContact CE1-CG1 4.11Å; F207-V278 HydrophobicContact CZ-CB 4.48Å; F207-V278 HydrophobicContact CZ-CG1 3.95Å; F207-L279 HydrophobicContact CB-CD2 4.3Å; F207-L279 HydrophobicContact CD1-CD1 4Å; F207-L279 HydrophobicContact CD1-CD2 3.52Å; F207-L279 HydrophobicContact CD1-CG 3.65Å; F207-L279 HydrophobicContact CE1-CD2 4.02Å; F207-L279 HydrophobicContact CE1-CG 4.05Å; F207-L279 HydrophobicContact CG-CD2 4.06Å; F207-Y353 HydrophobicContact CE1-CE2 4.4Å; F207-Y353 HydrophobicContact CE2-CD2 4.37Å; F207-Y353 AromaticContact CE2-CE2 3.82Å; F207-Y353 HydrophobicContact CE2-CE2 3.82Å; F207-Y353 AromaticContact CZ-CD2 3.75Å; F207-Y353 HydrophobicContact CZ-CD2 3.75Å; F207-Y353 AromaticContact CZ-CE2 3.53Å; F207-Y353 HydrophobicContact CZ-CE2 3.53Å |
| 208 | Y | 92.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -41.5 | 177.9 | -56.4 | -86.6 | 0 | 0 | 0 | 111.1 | R202 N203 F204 H205 L210 V211 E212 V228 L234 | R202-Y208 HydrophobicContact CB-CE2 3.74Å; R202-Y208 HydrophobicContact CG-CE2 4.26Å; N203-Y208 HydrophobicContact CB-CE2 3.96Å; N203-Y208 PolarHBondContact N-OH 3.32Å; N203-Y208 VanDerWaalsContact N-OH 3.09Å; F204-Y208 WeakPolarHBondContact O-CD2 3.33Å; H205-Y208 PolarHBondContact O-N 3.34Å; H205-Y208 VanDerWaalsContact O-N 3.12Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.32Å; Y208-V211 PolarHBondContact O-N 2.91Å; Y208-E212 WeakPolarHBondContact O-CB 3.31Å; Y208-E212 PolarHBondContact O-N 3.19Å; Y208-V228 HydrophobicContact CD1-CG1 3.92Å; Y208-V228 HydrophobicContact CD1-CG2 4.49Å; Y208-V228 HydrophobicContact CE1-CG1 3.75Å; Y208-L234 HydrophobicContact CE1-CB 4.32Å; Y208-L234 HydrophobicContact CE1-CD2 4.29Å; Y208-L234 HydrophobicContact CE2-CD2 4.15Å |
| 209 | Q | 92.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.7 | -68.5 | 171.1 | -4.2 | 0 | 0 | 112.5 | H205 G213 D247 D250 W251 | H205-Q209 WeakPolarHBondContact O-CB 3.43Å; H205-Q209 VanDerWaalsContact O-CG 3.25Å; H205-Q209 WeakPolarHBondContact O-CG 3.27Å; H205-Q209 PolarHBondContact O-N 2.77Å; Q209-G213 WeakPolarHBondContact O-CA 3.35Å; Q209-G213 PolarHBondContact O-N 2.95Å; Q209-D247 HydrophobicContact CG-CB 4.13Å; Q209-D250 HydrophobicContact CG-CB 4.33Å; Q209-W251 HydrophobicContact CB-CB 4.15Å; Q209-W251 HydrophobicContact CB-CE3 3.86Å |
| 210 | L | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -49 | 176.7 | 177.5 | 64.6 | 0 | 0 | 0 | 111.5 | V206 F207 Y208 G214 L218 L222 L224 W251 V275 | V206-L210 VanDerWaalsContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CB 3.42Å; V206-L210 PolarHBondContact O-N 3.16Å; F207-L210 PolarHBondContact O-N 3.24Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.32Å; L210-G214 VanDerWaalsContact O-CA 3.31Å; L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.19Å; L210-L218 HydrophobicContact CD1-CD2 4.32Å; L210-L222 HydrophobicContact CD1-CD1 3.99Å; L210-L222 HydrophobicContact CD2-CD1 4.31Å; L210-L224 HydrophobicContact CD2-CD1 3.76Å; L210-L224 HydrophobicContact CG-CD1 4.11Å; L210-W251 HydrophobicContact CB-CH2 4.2Å; L210-W251 HydrophobicContact CB-CZ3 4.1Å; L210-W251 HydrophobicContact CD1-CH2 3.41Å; L210-W251 VanDerWaalsContact CD1-CH2 3.41Å; L210-W251 HydrophobicContact CD1-CZ2 3.74Å; L210-W251 HydrophobicContact CD1-CZ3 4.17Å; L210-W251 HydrophobicContact CG-CH2 4.4Å; L210-V275 HydrophobicContact CD2-CB 4.2Å; L210-V275 HydrophobicContact CD2-CG1 3.75Å |
| 211 | V | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -48.7 | -177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | F207 Y208 R226 V228 Y231 L279 | F207-V211 WeakPolarHBondContact O-CG2 3.22Å; F207-V211 PolarHBondContact O-N 3.33Å; F207-V211 VanDerWaalsContact O-N 3.14Å; Y208-V211 PolarHBondContact O-N 2.91Å; V211-R226 WeakPolarHBondContact O-CG 3.23Å; V211-V228 HydrophobicContact CG1-CG2 4.04Å; V211-Y231 HydrophobicContact CG2-CE2 4.25Å; V211-L279 HydrophobicContact CG2-CD1 4.19Å |
| 212 | E | 89 | Confident | 91 | Very high | 80 Ų | 80 | 30.3 Ų | 30.3 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -78.7 | -38.3 | -177.8 | -70.5 | -66.1 | 157.6 | 0 | 0 | 113.2 | Y208 D247 | Y208-E212 WeakPolarHBondContact O-CB 3.31Å; Y208-E212 PolarHBondContact O-N 3.19Å; E212-D247 HydrophobicContact CB-CB 4.45Å |
| 213 | G | 86.5 | Confident | 91 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -95.2 | -19.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q209 W251 | Q209-G213 WeakPolarHBondContact O-CA 3.35Å; Q209-G213 PolarHBondContact O-N 2.95Å; G213-W251 VanDerWaalsContact C-NE1 3.34Å; G213-W251 PolarHBondContact O-NE1 2.94Å; G213-W251 VanDerWaalsContact O-NE1 3.12Å |
| 214 | G | 88.3 | Confident | 90.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -57.5 | 146.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L210 R226 | L210-G214 VanDerWaalsContact O-CA 3.31Å; L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.19Å; G214-R226 PolarHBondContact O-NH2 3.43Å |
| 215 | S | 89.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 37 Ų | 37 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | trans | -71.8 | 152.3 | 170.8 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | D217 L218 L219 | S215-D217 PolarHBondContact O-N 2.86Å; S215-L218 WeakPolarHBondContact O-CA 3.48Å; S215-L218 WeakPolarHBondContact O-CB 3.42Å; S215-L218 PolarHBondContact O-N 3.1Å; S215-L218 VanDerWaalsContact OG-CB 3.31Å; S215-L218 WeakPolarHBondContact OG-CB 3.22Å; S215-L219 PolarHBondContact O-N 2.74Å | ||
| 216 | D | 88.4 | Confident | 90.2 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.7 | -36.3 | -177.2 | -58.6 | -17.7 | 0 | 0 | 0 | 111.5 | L218 L219 T220 R226 | D216-L218 PolarHBondContact O-N 3.44Å; D216-L219 PolarHBondContact O-N 2.9Å; D216-T220 WeakPolarHBondContact O-CB 3.39Å; D216-T220 PolarHBondContact O-N 3.45Å; D216-T220 PolarHBondContact O-OG1 3.2Å; D216-R226 IonicContact OD1-CZ 3.7Å; D216-R226 IonicContact OD1-NH1 2.95Å; D216-R226 PolarHBondContact OD1-NH1 2.67Å; D216-R226 IonicContact OD1-NH2 3.93Å; D216-R226 PolarHBondContact OD1-NH2 3.02Å |
| 217 | D | 89.8 | Confident | 89.8 | Confident | 122 Ų | 122 | 45.8 Ų | 45.8 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.7 | -40.6 | 172.7 | -58.7 | -35.4 | 0 | 0 | 0 | 112.7 | S215 Q221 | S215-D217 PolarHBondContact O-N 2.86Å; D217-Q221 VanDerWaalsContact O-CG 3.27Å; D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.31Å; D217-Q221 VanDerWaalsContact O-N 3.08Å |
| 218 | L | 88.9 | Confident | 89.3 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.5 | -43.2 | -179.2 | 177.9 | 65.6 | 0 | 0 | 0 | 110.6 | L210 S215 D216 T220 Q221 L222 W251 F272 | L210-L218 HydrophobicContact CD1-CD2 4.32Å; S215-L218 WeakPolarHBondContact O-CA 3.48Å; S215-L218 WeakPolarHBondContact O-CB 3.42Å; S215-L218 PolarHBondContact O-N 3.1Å; S215-L218 VanDerWaalsContact OG-CB 3.31Å; S215-L218 WeakPolarHBondContact OG-CB 3.22Å; D216-L218 PolarHBondContact O-N 3.44Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-T220 PolarHBondContact O-N 3.06Å; L218-Q221 PolarHBondContact O-N 3.28Å; L218-L222 HydrophobicContact CD1-CD1 3.98Å; L218-L222 HydrophobicContact CD1-CG 4.28Å; L218-L222 HydrophobicContact CG-CD1 3.91Å; L218-L222 WeakPolarHBondContact O-CB 3.3Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.28Å; L218-L222 PolarHBondContact O-N 2.8Å; L218-W251 HydrophobicContact CD2-CZ2 4.08Å; L218-F272 HydrophobicContact CD1-CD2 4.49Å; L218-F272 HydrophobicContact CD2-CD2 4.18Å |
| 219 | L | 91.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.1 | -67.9 | 176.1 | 0 | 0 | 0 | 110.7 | S215 D216 Q221 L222 G223 L224 R226 | S215-L219 PolarHBondContact O-N 2.74Å; D216-L219 PolarHBondContact O-N 2.9Å; L219-Q221 PolarHBondContact O-N 3.34Å; L219-L222 CarbonylContact O-C 3.57Å; L219-L222 PolarHBondContact O-N 3.09Å; L219-L222 VanDerWaalsContact O-N 3.07Å; L219-G223 PolarHBondContact O-N 2.93Å; L219-L224 HydrophobicContact CB-CB 4.49Å; L219-L224 HydrophobicContact CD2-CB 3.91Å; L219-L224 HydrophobicContact CD2-CD1 4.25Å; L219-L224 PolarHBondContact O-N 2.99Å; L219-R226 HydrophobicContact CD1-CB 4.15Å |
| 220 | T | 90.4 | Very high | 88.6 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 64% | 0.638 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 176.6 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | D216 L218 L222 G223 | D216-T220 WeakPolarHBondContact O-CB 3.39Å; D216-T220 PolarHBondContact O-N 3.45Å; D216-T220 PolarHBondContact O-OG1 3.2Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-T220 PolarHBondContact O-N 3.06Å; T220-L222 VanDerWaalsContact C-N 3.25Å; T220-L222 PolarHBondContact O-N 3.42Å; T220-G223 PolarHBondContact O-N 3.04Å |
| 221 | Q | 89.6 | Confident | 88.5 | Confident | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -29.3 | 175.2 | -75.6 | 175.6 | 14.1 | 0 | 0 | 113.3 | D217 L218 L219 | D217-Q221 VanDerWaalsContact O-CG 3.27Å; D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.31Å; D217-Q221 VanDerWaalsContact O-N 3.08Å; L218-Q221 PolarHBondContact O-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.34Å |
| 222 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -90.7 | -5 | -179.4 | -66.2 | 174.6 | 0 | 0 | 0 | 113.1 | L210 L218 L219 T220 L224 F272 R273 A276 H280 L308 | L210-L222 HydrophobicContact CD1-CD1 3.99Å; L210-L222 HydrophobicContact CD2-CD1 4.31Å; L218-L222 HydrophobicContact CD1-CD1 3.98Å; L218-L222 HydrophobicContact CD1-CG 4.28Å; L218-L222 HydrophobicContact CG-CD1 3.91Å; L218-L222 WeakPolarHBondContact O-CB 3.3Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.28Å; L218-L222 PolarHBondContact O-N 2.8Å; L219-L222 CarbonylContact O-C 3.57Å; L219-L222 PolarHBondContact O-N 3.09Å; L219-L222 VanDerWaalsContact O-N 3.07Å; T220-L222 VanDerWaalsContact C-N 3.25Å; T220-L222 PolarHBondContact O-N 3.42Å; L222-L224 VanDerWaalsContact C-N 3.26Å; L222-L224 HydrophobicContact CB-CD1 4.02Å; L222-L224 HydrophobicContact CB-CG 3.94Å; L222-L224 HydrophobicContact CD1-CD1 4.21Å; L222-F272 HydrophobicContact CD1-CB 4.13Å; L222-R273 HydrophobicContact CD2-CB 4.29Å; L222-R273 HydrophobicContact CD2-CG 3.66Å; L222-A276 HydrophobicContact CB-CB 3.94Å; L222-A276 HydrophobicContact CD1-CB 4.41Å; L222-A276 HydrophobicContact CD2-CB 4.07Å; L222-A276 HydrophobicContact CG-CB 4.37Å; L222-H280 PolarHBondContact O-NE2 3.02Å; L222-L308 HydrophobicContact CD2-CD2 4.05Å |
| 223 | G | 89 | Confident | 88.5 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L219 T220 H280 | L219-G223 PolarHBondContact O-N 2.93Å; T220-G223 PolarHBondContact O-N 3.04Å; G223-H280 PolarHBondContact O-CE1 3.41Å; G223-H280 PolarHBondContact O-NE2 3.27Å |
| 224 | L | 90.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | trans | -96.4 | 143.3 | -174.4 | -61.5 | 175.9 | 0 | 0 | 0 | 112.7 | L210 L219 L222 Y231 A276 L279 | L210-L224 HydrophobicContact CD2-CD1 3.76Å; L210-L224 HydrophobicContact CG-CD1 4.11Å; L219-L224 HydrophobicContact CB-CB 4.49Å; L219-L224 HydrophobicContact CD2-CB 3.91Å; L219-L224 HydrophobicContact CD2-CD1 4.25Å; L219-L224 PolarHBondContact O-N 2.99Å; L222-L224 VanDerWaalsContact C-N 3.26Å; L222-L224 HydrophobicContact CB-CD1 4.02Å; L222-L224 HydrophobicContact CB-CG 3.94Å; L222-L224 HydrophobicContact CD1-CD1 4.21Å; L224-Y231 WeakPolarHBondContact CA-OH 3.07Å; L224-Y231 WeakPolarHBondContact CB-OH 3.43Å; L224-Y231 HydrophobicContact CD2-CE1 3.71Å; L224-Y231 HydrophobicContact CD2-CE2 4.4Å; L224-Y231 WeakPolarHBondContact CD2-OH 3.5Å; L224-A276 HydrophobicContact CD1-CB 3.87Å; L224-A276 HydrophobicContact CD2-CB 4.23Å; L224-A276 HydrophobicContact CG-CB 4.13Å; L224-L279 HydrophobicContact CD1-CD1 4.49Å; L224-L279 HydrophobicContact CD2-CB 4.42Å; L224-L279 HydrophobicContact CD2-CD1 4.1Å | ||
| 225 | E | 88.3 | Confident | 88.5 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | trans | -101.5 | 146.3 | 171.4 | -64.6 | -174.2 | 178.8 | 0 | 0 | 109.9 | D227 H230 Y231 | E225-D227 PolarHBondContact O-N 3.34Å; E225-H230 IonicContact OE2-ND1 2.83Å; E225-Y231 PolarHBondContact N-OH 3.07Å | ||
| 226 | R | 86.7 | Confident | 88.1 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -78.4 | 55.8 | 175.2 | -166.8 | 176.9 | -78 | 134.4 | -0.3 | 110.7 | V211 G214 D216 L219 | V211-R226 WeakPolarHBondContact O-CG 3.23Å; G214-R226 PolarHBondContact O-NH2 3.43Å; D216-R226 IonicContact OD1-CZ 3.7Å; D216-R226 IonicContact OD1-NH1 2.95Å; D216-R226 PolarHBondContact OD1-NH1 2.67Å; D216-R226 IonicContact OD1-NH2 3.93Å; D216-R226 PolarHBondContact OD1-NH2 3.02Å; L219-R226 HydrophobicContact CD1-CB 4.15Å |
| 227 | D | 85.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | trans | -143.4 | 114.3 | 171.2 | -174.2 | 0.8 | 0 | 0 | 0 | 109.8 | E225 Q229 H230 | E225-D227 PolarHBondContact O-N 3.34Å; D227-Q229 PolarHBondContact O-N 3.03Å; D227-Q229 WeakPolarHBondContact OD1-CB 3.28Å; D227-Q229 PolarHBondContact OD1-N 3.47Å; D227-H230 PolarHBondContact O-N 3.05Å | ||
| 228 | V | 83.8 | Confident | 87 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.2 | -25.1 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | Y208 V211 H230 Y231 L234 A240 | Y208-V228 HydrophobicContact CD1-CG1 3.92Å; Y208-V228 HydrophobicContact CD1-CG2 4.49Å; Y208-V228 HydrophobicContact CE1-CG1 3.75Å; V211-V228 HydrophobicContact CG1-CG2 4.04Å; V228-H230 PolarHBondContact O-N 3.37Å; V228-Y231 PolarHBondContact O-N 3.28Å; V228-L234 HydrophobicContact CG1-CB 3.7Å; V228-L234 HydrophobicContact CG1-CD1 3.89Å; V228-L234 HydrophobicContact CG1-CG 4.43Å; V228-A240 HydrophobicContact CB-CB 4.35Å; V228-A240 HydrophobicContact CG1-CB 4.03Å |
| 229 | Q | 84.8 | Confident | 86.4 | Confident | 153 Ų | 153 | 56.1 Ų | 56.1 | 72% | 0.715 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -71.1 | -17.6 | -179.1 | -61.2 | -160.1 | -6.3 | 0 | 0 | 113.6 | D227 Y231 T235 | D227-Q229 PolarHBondContact O-N 3.03Å; D227-Q229 WeakPolarHBondContact OD1-CB 3.28Å; D227-Q229 PolarHBondContact OD1-N 3.47Å; Q229-Y231 PolarHBondContact O-N 2.73Å; Q229-T235 HydrophobicContact CB-CG2 4.39Å; Q229-T235 VanDerWaalsContact O-CG2 3.29Å; Q229-T235 WeakPolarHBondContact O-CG2 3Å |
| 230 | H | 86.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -71.5 | -18.8 | 179.9 | -159.5 | 88.6 | 0 | 0 | 0 | 113.1 | E225 D227 V228 N283 | E225-H230 IonicContact OE2-ND1 2.83Å; D227-H230 PolarHBondContact O-N 3.05Å; V228-H230 PolarHBondContact O-N 3.37Å; H230-N283 PolarHBondContact O-ND2 3.47Å; H230-N283 PolarHBondContact O-OD1 2.91Å |
| 231 | Y | 89.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | trans | -107.1 | 117.4 | -172.5 | -58.5 | -72.1 | 0 | 0 | 0 | 112.2 | V211 L224 E225 V228 Q229 Y233 L234 T235 L279 | V211-Y231 HydrophobicContact CG2-CE2 4.25Å; L224-Y231 WeakPolarHBondContact CA-OH 3.07Å; L224-Y231 WeakPolarHBondContact CB-OH 3.43Å; L224-Y231 HydrophobicContact CD2-CE1 3.71Å; L224-Y231 HydrophobicContact CD2-CE2 4.4Å; L224-Y231 WeakPolarHBondContact CD2-OH 3.5Å; E225-Y231 PolarHBondContact N-OH 3.07Å; V228-Y231 PolarHBondContact O-N 3.28Å; Q229-Y231 PolarHBondContact O-N 2.73Å; Y231-Y233 VanDerWaalsContact C-N 3.25Å; Y231-Y233 PolarHBondContact O-N 3.05Å; Y231-L234 HydrophobicContact CD2-CD1 4.2Å; Y231-L234 HydrophobicContact CG-CD1 4.45Å; Y231-L234 PolarHBondContact O-N 2.86Å; Y231-T235 PolarHBondContact O-N 3.14Å; Y231-T235 PolarHBondContact O-OG1 3.41Å; Y231-L279 HydrophobicContact CD1-CB 3.75Å; Y231-L279 HydrophobicContact CE1-CB 4.13Å; Y231-L279 HydrophobicContact CG-CB 4.28Å; Y231-L279 HydrophobicContact CG-CD2 4.42Å | ||
| 232 | Y | 89.4 | Confident | 84.2 | Confident | 101 Ų | 101 | 55 Ų | 55 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.1 | -37 | -178.7 | 178.6 | -107.3 | 0 | 0 | 0 | 113.2 | L234 T235 Q236 N283 | Y232-L234 PolarHBondContact O-N 2.88Å; Y232-T235 PolarHBondContact O-OG1 2.89Å; Y232-Q236 HydrophobicContact CE2-CG 4.26Å; Y232-Q236 WeakPolarHBondContact O-CG 3.35Å; Y232-Q236 PolarHBondContact O-NE2 3.2Å; Y232-N283 PolarHBondContact N-OD1 3.36Å |
| 233 | Y | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.7 | -4.5 | 178.1 | -67.9 | -23.3 | 0 | 0 | 0 | 114.9 | V195 Q197 N203 Y231 V278 D346 A349 | V195-Y233 HydrophobicContact CB-CD1 4.43Å; V195-Y233 HydrophobicContact CB-CE1 3.95Å; V195-Y233 HydrophobicContact CG1-CE1 3.98Å; V195-Y233 HydrophobicContact CG1-CE2 4.33Å; Q197-Y233 PolarHBondContact NE2-O 3.03Å; Q197-Y233 PolarHBondContact OE1-O 2.87Å; Q197-Y233 VanDerWaalsContact OE1-O 3.14Å; N203-Y233 PolarHBondContact ND2-O 2.72Å; Y231-Y233 VanDerWaalsContact C-N 3.25Å; Y231-Y233 PolarHBondContact O-N 3.05Å; Y233-V278 HydrophobicContact CD2-CG1 4.31Å; Y233-V278 VanDerWaalsContact CD2-O 3.3Å; Y233-V278 WeakPolarHBondContact CD2-O 3.29Å; Y233-V278 HydrophobicContact CE2-CG1 4.37Å; Y233-V278 VanDerWaalsContact CE2-O 3.23Å; Y233-V278 WeakPolarHBondContact CE2-O 3.1Å; Y233-D346 PolarHBondContact OH-OD1 2.94Å; Y233-A349 HydrophobicContact CE2-CB 3.87Å |
| 234 | L | 88.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -112 | -17.6 | 178.4 | -57.2 | -175.5 | 0 | 0 | 0 | 113.2 | N203 F207 Y208 V228 Y231 Y232 L279 | N203-L234 HydrophobicContact CB-CD2 3.85Å; F207-L234 HydrophobicContact CB-CD1 4.28Å; F207-L234 HydrophobicContact CB-CD2 3.63Å; F207-L234 HydrophobicContact CD2-CD2 4.41Å; F207-L234 HydrophobicContact CG-CD2 4.14Å; Y208-L234 HydrophobicContact CE1-CB 4.32Å; Y208-L234 HydrophobicContact CE1-CD2 4.29Å; Y208-L234 HydrophobicContact CE2-CD2 4.15Å; V228-L234 HydrophobicContact CG1-CB 3.7Å; V228-L234 HydrophobicContact CG1-CD1 3.89Å; V228-L234 HydrophobicContact CG1-CG 4.43Å; Y231-L234 HydrophobicContact CD2-CD1 4.2Å; Y231-L234 HydrophobicContact CG-CD1 4.45Å; Y231-L234 PolarHBondContact O-N 2.86Å; Y232-L234 PolarHBondContact O-N 2.88Å; L234-L279 HydrophobicContact CD1-CD2 3.87Å; L234-L279 HydrophobicContact CD2-CD2 4.04Å; L234-L279 HydrophobicContact CG-CD2 3.84Å |
| 235 | T | 86.3 | Confident | 82.2 | Confident | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -89.4 | -25.5 | -174.7 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | Q229 Y231 Y232 G237 E238 | Q229-T235 HydrophobicContact CB-CG2 4.39Å; Q229-T235 VanDerWaalsContact O-CG2 3.29Å; Q229-T235 WeakPolarHBondContact O-CG2 3Å; Y231-T235 PolarHBondContact O-N 3.14Å; Y231-T235 PolarHBondContact O-OG1 3.41Å; Y232-T235 PolarHBondContact O-OG1 2.89Å; T235-G237 VanDerWaalsContact C-N 3.27Å; T235-G237 PolarHBondContact O-N 3.15Å; T235-E238 PolarHBondContact O-N 3.35Å |
| 236 | Q | 81.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33.7 | -171.7 | -63.6 | 170.3 | 31.2 | 0 | 0 | 114.2 | V195 H196 Y232 E238 | V195-Q236 PolarHBondContact O-NE2 2.81Å; V195-Q236 PolarHBondContact O-OE1 3.04Å; H196-Q236 VanDerWaalsContact CA-OE1 3.28Å; Y232-Q236 HydrophobicContact CE2-CG 4.26Å; Y232-Q236 WeakPolarHBondContact O-CG 3.35Å; Y232-Q236 PolarHBondContact O-NE2 3.2Å; Q236-E238 VanDerWaalsContact C-N 3.28Å; Q236-E238 PolarHBondContact O-N 3.15Å |
| 237 | G | 76.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G200 E201 T235 C239 | G200-G237 WeakPolarHBondContact CA-O 3.19Å; G200-G237 PolarHBondContact N-O 2.92Å; E201-G237 WeakPolarHBondContact O-CA 3.39Å; T235-G237 VanDerWaalsContact C-N 3.27Å; T235-G237 PolarHBondContact O-N 3.15Å; G237-C239 PolarHBondContact O-N 2.83Å |
| 238 | E | 79 | Confident | 82.3 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 50.9 | 29.9 | -178.6 | -62.5 | -177 | 165.5 | 0 | 0 | 114.3 | H199 T235 Q236 | H199-E238 IonicContact CE1-OE2 3.72Å; H199-E238 PolarHBondContact CE1-OE2 2.56Å; H199-E238 IonicContact ND1-OE2 3.7Å; H199-E238 PolarHBondContact ND1-OE2 3.03Å; T235-E238 PolarHBondContact O-N 3.35Å; Q236-E238 VanDerWaalsContact C-N 3.28Å; Q236-E238 PolarHBondContact O-N 3.15Å |
| 239 | C | 76.4 | Confident | 82.6 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | trans | -140.1 | 67.9 | -175 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | K155 R202 G237 | K155-C239 PolarHBondContact NZ-SG 3.17Å; R202-C239 WeakPolarHBondContact CD-O 3.33Å; R202-C239 WeakPolarHBondContact CG-O 3.48Å; G237-C239 PolarHBondContact O-N 2.83Å | ||
| 240 | A | 71.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 60 Ų | 60 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | trans | -69.2 | -42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V228 | V228-A240 HydrophobicContact CB-CB 4.35Å; V228-A240 HydrophobicContact CG1-CB 4.03Å | ||
| 241 | I | 75.3 | Confident | 83 | Confident | 153 Ų | 153 | 56.2 Ų | 56.2 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | trans | -108.6 | 130.2 | -173.7 | -56 | 173.4 | 0 | 0 | 0 | 110.5 | ||||
| 242 | V | 77.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | trans | -121.8 | 122.5 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | K155 S244 I245 | K155-V242 HydrophobicContact CD-CG2 4.03Å; K155-V242 HydrophobicContact CG-CG2 4.19Å; V242-S244 WeakPolarHBondContact CG1-OG 2.97Å; V242-S244 PolarHBondContact O-N 3.03Å; V242-S244 VanDerWaalsContact O-N 3.16Å; V242-I245 HydrophobicContact CB-CB 4.44Å; V242-I245 HydrophobicContact CB-CD1 4.41Å; V242-I245 HydrophobicContact CG1-CD1 4.17Å; V242-I245 HydrophobicContact CG1-CG1 4.25Å; V242-I245 PolarHBondContact O-N 3.44Å | ||
| 243 | S | 73 | Confident | 83.1 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 93% | 0.93 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.8 | -173.4 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 244 | S | 72.9 | Confident | 83.1 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.6 | -179.7 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | D160 V242 | D160-S244 PolarHBondContact OD2-OG 3.38Å; V242-S244 WeakPolarHBondContact CG1-OG 2.97Å; V242-S244 PolarHBondContact O-N 3.03Å; V242-S244 VanDerWaalsContact O-N 3.16Å |
| 245 | I | 82.4 | Confident | 83.2 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | trans | -118 | 138.9 | -172.3 | -61.8 | 173.8 | 0 | 0 | 0 | 109.9 | D160 V242 | D160-I245 HydrophobicContact CB-CD1 4.01Å; D160-I245 WeakPolarHBondContact O-CD1 3.32Å; V242-I245 HydrophobicContact CB-CB 4.44Å; V242-I245 HydrophobicContact CB-CD1 4.41Å; V242-I245 HydrophobicContact CG1-CD1 4.17Å; V242-I245 HydrophobicContact CG1-CG1 4.25Å; V242-I245 PolarHBondContact O-N 3.44Å | ||
| 246 | N | 87.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | trans | -119 | 85 | 174.9 | -170.8 | -36 | 0 | 0 | 0 | 109.7 | K248 N249 D250 | N246-K248 PolarHBondContact O-N 2.75Å; N246-K248 VanDerWaalsContact O-N 3.07Å; N246-K248 PolarHBondContact OD1-N 2.86Å; N246-N249 HydrophobicContact CB-CB 4.29Å; N246-N249 PolarHBondContact ND2-ND2 3.25Å; N246-N249 PolarHBondContact O-N 3.15Å; N246-N249 PolarHBondContact OD1-N 2.86Å; N246-N249 VanDerWaalsContact OD1-N 3.15Å; N246-D250 PolarHBondContact O-N 3.39Å | ||
| 247 | D | 88.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.2 | -30.4 | -174.2 | -67.6 | -60.5 | 0 | 0 | 0 | 112.3 | R202 Q209 E212 W251 | R202-D247 IonicContact CZ-OD2 2.79Å; R202-D247 IonicContact NH1-OD1 3.55Å; R202-D247 IonicContact NH1-OD2 2.91Å; R202-D247 PolarHBondContact NH1-OD2 3.23Å; R202-D247 IonicContact NH2-OD1 3.37Å; R202-D247 IonicContact NH2-OD2 2.94Å; Q209-D247 HydrophobicContact CG-CB 4.13Å; E212-D247 HydrophobicContact CB-CB 4.45Å; D247-W251 VanDerWaalsContact O-CB 3.28Å; D247-W251 WeakPolarHBondContact O-CB 3.03Å; D247-W251 PolarHBondContact O-N 2.87Å |
| 248 | K | 88.1 | Confident | 84.3 | Confident | 125 Ų | 125 | 63.4 Ų | 63.4 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.4 | -39.1 | 176.8 | -174.4 | 172.4 | -173.9 | 168.8 | 0 | 113.6 | N246 | N246-K248 PolarHBondContact O-N 2.75Å; N246-K248 VanDerWaalsContact O-N 3.07Å; N246-K248 PolarHBondContact OD1-N 2.86Å |
| 249 | N | 89.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.6 | -39.4 | 175.7 | -77.4 | -18.3 | 0 | 0 | 0 | 111 | N246 W251 K252 S253 | N246-N249 HydrophobicContact CB-CB 4.29Å; N246-N249 PolarHBondContact ND2-ND2 3.25Å; N246-N249 PolarHBondContact O-N 3.15Å; N246-N249 PolarHBondContact OD1-N 2.86Å; N246-N249 VanDerWaalsContact OD1-N 3.15Å; N249-W251 VanDerWaalsContact C-N 3.29Å; N249-W251 PolarHBondContact O-N 3.37Å; N249-K252 WeakPolarHBondContact O-CB 3.41Å; N249-K252 PolarHBondContact O-N 3Å; N249-K252 VanDerWaalsContact O-N 3.1Å; N249-S253 PolarHBondContact O-N 3.3Å |
| 250 | D | 88.9 | Confident | 85 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 178 | -63.9 | -27.2 | 0 | 0 | 0 | 111.1 | Q209 N246 K252 S253 V254 | Q209-D250 HydrophobicContact CG-CB 4.33Å; N246-D250 PolarHBondContact O-N 3.39Å; D250-K252 VanDerWaalsContact C-N 3.3Å; D250-K252 PolarHBondContact O-N 3.15Å; D250-S253 WeakPolarHBondContact O-CA 3.34Å; D250-S253 VanDerWaalsContact O-CB 3.31Å; D250-S253 WeakPolarHBondContact O-CB 3.31Å; D250-S253 PolarHBondContact O-N 2.91Å; D250-V254 WeakPolarHBondContact O-CG2 3.27Å; D250-V254 PolarHBondContact O-N 2.68Å |
| 251 | W | 91.3 | Very high | 85.5 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.019 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.6 | -39.5 | 171.7 | 179.8 | -115.1 | 0 | 0 | 0 | 113.7 | Q209 L210 G213 L218 D247 N249 S253 V254 K255 F272 | Q209-W251 HydrophobicContact CB-CB 4.15Å; Q209-W251 HydrophobicContact CB-CE3 3.86Å; L210-W251 HydrophobicContact CB-CH2 4.2Å; L210-W251 HydrophobicContact CB-CZ3 4.1Å; L210-W251 HydrophobicContact CD1-CH2 3.41Å; L210-W251 VanDerWaalsContact CD1-CH2 3.41Å; L210-W251 HydrophobicContact CD1-CZ2 3.74Å; L210-W251 HydrophobicContact CD1-CZ3 4.17Å; L210-W251 HydrophobicContact CG-CH2 4.4Å; G213-W251 VanDerWaalsContact C-NE1 3.34Å; G213-W251 PolarHBondContact O-NE1 2.94Å; G213-W251 VanDerWaalsContact O-NE1 3.12Å; L218-W251 HydrophobicContact CD2-CZ2 4.08Å; D247-W251 VanDerWaalsContact O-CB 3.28Å; D247-W251 WeakPolarHBondContact O-CB 3.03Å; D247-W251 PolarHBondContact O-N 2.87Å; N249-W251 VanDerWaalsContact C-N 3.29Å; N249-W251 PolarHBondContact O-N 3.37Å; W251-S253 VanDerWaalsContact C-N 3.35Å; W251-V254 PolarHBondContact O-N 3.16Å; W251-K255 VanDerWaalsContact CE2-CE 3.48Å; W251-K255 VanDerWaalsContact CZ2-CE 3.48Å; W251-K255 HydrophobicContact CZ2-CG 4.47Å; W251-K255 VanDerWaalsContact NE1-CE 3.3Å; W251-K255 PolarHBondContact O-N 3.1Å; W251-F272 AromaticContact CH2-CD1 3.92Å; W251-F272 HydrophobicContact CH2-CD1 3.92Å; W251-F272 HydrophobicContact CH2-CD2 4.25Å; W251-F272 AromaticContact CH2-CE1 3.49Å; W251-F272 HydrophobicContact CH2-CE1 3.49Å; W251-F272 VanDerWaalsContact CH2-CE1 3.49Å; W251-F272 AromaticContact CH2-CE2 3.83Å; W251-F272 HydrophobicContact CH2-CE2 3.83Å; W251-F272 HydrophobicContact CH2-CG 4.29Å; W251-F272 AromaticContact CH2-CZ 3.44Å; W251-F272 HydrophobicContact CH2-CZ 3.44Å; W251-F272 VanDerWaalsContact CH2-CZ 3.44Å; W251-F272 HydrophobicContact CZ2-CE1 4.46Å; W251-F272 HydrophobicContact CZ2-CE2 4.04Å; W251-F272 AromaticContact CZ2-CZ 4Å; W251-F272 HydrophobicContact CZ2-CZ 4Å; W251-F272 HydrophobicContact CZ3-CE1 4Å; W251-F272 HydrophobicContact CZ3-CZ 4.2Å |
| 252 | K | 91 | Very high | 85.8 | Confident | 129 Ų | 129 | 60.9 Ų | 60.9 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 175 | -65.6 | 176.4 | -178.4 | 173.1 | 0 | 111.4 | N249 D250 K255 N256 | N249-K252 WeakPolarHBondContact O-CB 3.41Å; N249-K252 PolarHBondContact O-N 3Å; N249-K252 VanDerWaalsContact O-N 3.1Å; D250-K252 VanDerWaalsContact C-N 3.3Å; D250-K252 PolarHBondContact O-N 3.15Å; K252-K255 PolarHBondContact O-N 3.18Å; K252-N256 WeakPolarHBondContact O-CB 3.49Å; K252-N256 PolarHBondContact O-N 3.46Å |
| 253 | S | 90.1 | Very high | 86 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.6 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | N249 D250 W251 N256 A257 | N249-S253 PolarHBondContact O-N 3.3Å; D250-S253 WeakPolarHBondContact O-CA 3.34Å; D250-S253 VanDerWaalsContact O-CB 3.31Å; D250-S253 WeakPolarHBondContact O-CB 3.31Å; D250-S253 PolarHBondContact O-N 2.91Å; W251-S253 VanDerWaalsContact C-N 3.35Å; S253-N256 PolarHBondContact O-N 3.35Å; S253-A257 VanDerWaalsContact O-CB 3.29Å; S253-A257 WeakPolarHBondContact O-CB 3.38Å; S253-A257 PolarHBondContact O-N 2.95Å |
| 254 | V | 91.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | A150 D250 W251 N256 A257 L258 | A150-V254 HydrophobicContact CB-CG2 3.66Å; D250-V254 WeakPolarHBondContact O-CG2 3.27Å; D250-V254 PolarHBondContact O-N 2.68Å; W251-V254 PolarHBondContact O-N 3.16Å; V254-N256 PolarHBondContact O-N 3.46Å; V254-A257 PolarHBondContact O-N 2.97Å; V254-L258 HydrophobicContact CG1-CD1 4.18Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.2Å |
| 255 | K | 89.4 | Confident | 87.1 | Confident | 70 Ų | 70 | 64.4 Ų | 64.4 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.3 | -81.3 | -168.9 | 176 | -178.7 | 0 | 112.6 | W251 K252 A257 L258 Q259 | W251-K255 VanDerWaalsContact CE2-CE 3.48Å; W251-K255 VanDerWaalsContact CZ2-CE 3.48Å; W251-K255 HydrophobicContact CZ2-CG 4.47Å; W251-K255 VanDerWaalsContact NE1-CE 3.3Å; W251-K255 PolarHBondContact O-N 3.1Å; K252-K255 PolarHBondContact O-N 3.18Å; K255-A257 VanDerWaalsContact C-N 3.32Å; K255-A257 PolarHBondContact O-N 3.03Å; K255-L258 PolarHBondContact O-N 2.85Å; K255-Q259 WeakPolarHBondContact O-CG 3.44Å; K255-Q259 PolarHBondContact O-N 3.35Å |
| 256 | N | 89.3 | Confident | 87.3 | Confident | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.1 | -173.5 | 19.4 | 0 | 0 | 0 | 111.1 | K252 S253 V254 Q259 V260 | K252-N256 WeakPolarHBondContact O-CB 3.49Å; K252-N256 PolarHBondContact O-N 3.46Å; S253-N256 PolarHBondContact O-N 3.35Å; V254-N256 PolarHBondContact O-N 3.46Å; N256-Q259 WeakPolarHBondContact O-CB 3.49Å; N256-Q259 PolarHBondContact O-N 3.05Å; N256-V260 WeakPolarHBondContact O-CG2 3.34Å; N256-V260 PolarHBondContact O-N 2.79Å; N256-V260 VanDerWaalsContact O-N 3.08Å |
| 257 | A | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M143 P146 V147 S253 V254 K255 Q259 V260 I261 | M143-A257 HydrophobicContact CB-CB 4.26Å; M143-A257 VanDerWaalsContact O-CB 3.31Å; M143-A257 WeakPolarHBondContact O-CB 3.2Å; P146-A257 HydrophobicContact CB-CB 4.24Å; V147-A257 HydrophobicContact CG2-CB 3.64Å; S253-A257 VanDerWaalsContact O-CB 3.29Å; S253-A257 WeakPolarHBondContact O-CB 3.38Å; S253-A257 PolarHBondContact O-N 2.95Å; V254-A257 PolarHBondContact O-N 2.97Å; K255-A257 VanDerWaalsContact C-N 3.32Å; K255-A257 PolarHBondContact O-N 3.03Å; A257-Q259 VanDerWaalsContact C-N 3.28Å; A257-Q259 PolarHBondContact O-N 3.43Å; A257-V260 PolarHBondContact O-N 2.86Å; A257-I261 WeakPolarHBondContact O-CD1 3.25Å; A257-I261 WeakPolarHBondContact O-CG1 3.15Å; A257-I261 PolarHBondContact O-N 3.44Å |
| 258 | L | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.6 | -72.1 | 169.9 | 0 | 0 | 0 | 111.9 | V147 V254 K255 I261 F263 T268 L271 F272 | V147-L258 HydrophobicContact CG1-CD2 4.14Å; V147-L258 HydrophobicContact CG2-CD2 4.08Å; V147-L258 HydrophobicContact CG2-CG 4.16Å; V254-L258 HydrophobicContact CG1-CD1 4.18Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 2.85Å; L258-I261 PolarHBondContact O-N 3Å; L258-F263 HydrophobicContact CB-CB 4.41Å; L258-F263 HydrophobicContact CD2-CD1 4.34Å; L258-F263 HydrophobicContact CD2-CD2 4.15Å; L258-F263 HydrophobicContact CD2-CE2 4.42Å; L258-F263 HydrophobicContact CD2-CG 4.12Å; L258-F263 WeakPolarHBondContact O-CB 3.36Å; L258-F263 PolarHBondContact O-N 2.83Å; L258-F263 VanDerWaalsContact O-N 3.1Å; L258-T268 HydrophobicContact CD1-CG2 4.22Å; L258-L271 HydrophobicContact CD2-CD2 4.46Å; L258-F272 HydrophobicContact CD1-CE1 4.15Å; L258-F272 HydrophobicContact CD1-CZ 3.99Å |
| 259 | Q | 86.2 | Confident | 87.4 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 175.2 | -71 | 176.3 | -16.5 | 0 | 0 | 112.4 | K255 N256 A257 I261 E262 | K255-Q259 WeakPolarHBondContact O-CG 3.44Å; K255-Q259 PolarHBondContact O-N 3.35Å; N256-Q259 WeakPolarHBondContact O-CB 3.49Å; N256-Q259 PolarHBondContact O-N 3.05Å; A257-Q259 VanDerWaalsContact C-N 3.28Å; A257-Q259 PolarHBondContact O-N 3.43Å; Q259-I261 VanDerWaalsContact C-N 3.32Å; Q259-I261 PolarHBondContact O-N 3.06Å; Q259-E262 PolarHBondContact O-N 3.4Å; Q259-E262 VanDerWaalsContact O-N 3.14Å |
| 260 | V | 83.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.4 | -32.3 | 178.8 | 175 | 0 | 0 | 0 | 0 | 112.4 | K140 M143 N256 A257 E262 | K140-V260 HydrophobicContact CG-CG1 4.46Å; M143-V260 HydrophobicContact CB-CB 4.38Å; M143-V260 HydrophobicContact CB-CG1 4.21Å; M143-V260 HydrophobicContact CG-CB 4.3Å; M143-V260 HydrophobicContact CG-CG1 4Å; M143-V260 HydrophobicContact CG-CG2 4.48Å; N256-V260 WeakPolarHBondContact O-CG2 3.34Å; N256-V260 PolarHBondContact O-N 2.79Å; N256-V260 VanDerWaalsContact O-N 3.08Å; A257-V260 PolarHBondContact O-N 2.86Å; V260-E262 PolarHBondContact O-N 2.78Å |
| 261 | I | 82.6 | Confident | 87.6 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 2.9 | 176.9 | -59.9 | 161.7 | 0 | 0 | 0 | 111.4 | V147 A257 L258 Q259 F263 I364 S367 | V147-I261 HydrophobicContact CG2-CD1 3.88Å; A257-I261 WeakPolarHBondContact O-CD1 3.25Å; A257-I261 WeakPolarHBondContact O-CG1 3.15Å; A257-I261 PolarHBondContact O-N 3.44Å; L258-I261 PolarHBondContact O-N 3Å; Q259-I261 VanDerWaalsContact C-N 3.32Å; Q259-I261 PolarHBondContact O-N 3.06Å; I261-F263 HydrophobicContact CB-CD2 4.06Å; I261-F263 HydrophobicContact CB-CE2 4.34Å; I261-F263 HydrophobicContact CG2-CD2 3.78Å; I261-F263 HydrophobicContact CG2-CE2 3.62Å; I261-I364 HydrophobicContact CD1-CG1 4.45Å; I261-I364 HydrophobicContact CG2-CG1 3.99Å; I261-S367 WeakPolarHBondContact O-CB 3.41Å |
| 262 | E | 81.3 | Confident | 87.6 | Confident | 124 Ų | 124 | 56.6 Ų | 56.6 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 36.3 | 179.9 | -57.7 | 168.2 | 179.3 | 0 | 0 | 113 | K140 Q259 V260 D264 | K140-E262 WeakPolarHBondContact CE-OE1 3.35Å; K140-E262 IonicContact NZ-OE1 2.74Å; K140-E262 PolarHBondContact NZ-OE1 2.81Å; K140-E262 IonicContact NZ-OE2 3.53Å; K140-E262 PolarHBondContact NZ-OE2 2.93Å; Q259-E262 PolarHBondContact O-N 3.4Å; Q259-E262 VanDerWaalsContact O-N 3.14Å; V260-E262 PolarHBondContact O-N 2.78Å; E262-D264 PolarHBondContact O-N 3.14Å |
| 263 | F | 81.9 | Confident | 87.7 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | trans | -74.6 | 124.1 | 167.2 | -85.8 | -109.5 | 0 | 0 | 0 | 110.7 | L258 I261 N267 W359 L360 R363 | L258-F263 HydrophobicContact CB-CB 4.41Å; L258-F263 HydrophobicContact CD2-CD1 4.34Å; L258-F263 HydrophobicContact CD2-CD2 4.15Å; L258-F263 HydrophobicContact CD2-CE2 4.42Å; L258-F263 HydrophobicContact CD2-CG 4.12Å; L258-F263 WeakPolarHBondContact O-CB 3.36Å; L258-F263 PolarHBondContact O-N 2.83Å; L258-F263 VanDerWaalsContact O-N 3.1Å; I261-F263 HydrophobicContact CB-CD2 4.06Å; I261-F263 HydrophobicContact CB-CE2 4.34Å; I261-F263 HydrophobicContact CG2-CD2 3.78Å; I261-F263 HydrophobicContact CG2-CE2 3.62Å; F263-N267 HydrophobicContact CD1-CB 4.28Å; F263-W359 AromaticContact CE1-CH2 3.8Å; F263-W359 HydrophobicContact CE1-CH2 3.8Å; F263-W359 AromaticContact CE1-CZ3 3.74Å; F263-W359 HydrophobicContact CE1-CZ3 3.74Å; F263-W359 HydrophobicContact CZ-CZ3 4.35Å; F263-L360 HydrophobicContact CE1-CD1 4.06Å; F263-L360 HydrophobicContact CZ-CD1 3.71Å; F263-R363 HydrophobicContact CE1-CB 4.49Å; F263-R363 HydrophobicContact CE2-CB 4.29Å; F263-R363 HydrophobicContact CZ-CB 3.7Å; F263-R363 HydrophobicContact CZ-CG 4.43Å | ||
| 264 | D | 84.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | trans | -60.8 | 151 | 169.8 | -60.9 | -41.7 | 0 | 0 | 0 | 111.2 | E262 T266 N267 T268 | E262-D264 PolarHBondContact O-N 3.14Å; D264-T266 PolarHBondContact O-N 3.47Å; D264-N267 HydrophobicContact CB-CB 4.5Å; D264-N267 PolarHBondContact O-N 3.11Å; D264-T268 WeakPolarHBondContact O-CB 3.4Å; D264-T268 PolarHBondContact O-N 3.01Å; D264-T268 PolarHBondContact O-OG1 3.42Å | ||
| 265 | E | 84.6 | Confident | 88 | Confident | 170 Ų | 170 | 51.6 Ų | 51.6 | 79% | 0.794 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.8 | -32 | 176 | -68.5 | -171 | 162.9 | 0 | 0 | 112.2 | T268 N269 | E265-T268 PolarHBondContact O-N 2.78Å; E265-N269 WeakPolarHBondContact O-CB 3.35Å; E265-N269 PolarHBondContact O-N 3Å |
| 266 | T | 86.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 176 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | D264 T268 N269 H270 | D264-T266 PolarHBondContact O-N 3.47Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 2.94Å; T266-N269 PolarHBondContact O-N 3.31Å; T266-H270 PolarHBondContact O-N 2.86Å |
| 267 | N | 86.5 | Confident | 88.4 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.8 | -73.8 | -31.7 | 0 | 0 | 0 | 111.2 | F263 D264 H270 L271 I550 | F263-N267 HydrophobicContact CD1-CB 4.28Å; D264-N267 HydrophobicContact CB-CB 4.5Å; D264-N267 PolarHBondContact O-N 3.11Å; N267-H270 PolarHBondContact O-N 2.99Å; N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.14Å; N267-I550 WeakPolarHBondContact O-CD1 3.22Å |
| 268 | T | 89.2 | Confident | 88.6 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | L258 D264 E265 T266 L271 F272 | L258-T268 HydrophobicContact CD1-CG2 4.22Å; D264-T268 WeakPolarHBondContact O-CB 3.4Å; D264-T268 PolarHBondContact O-N 3.01Å; D264-T268 PolarHBondContact O-OG1 3.42Å; E265-T268 PolarHBondContact O-N 2.78Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 2.94Å; T268-L271 PolarHBondContact O-N 3.15Å; T268-F272 HydrophobicContact CG2-CD2 4.07Å; T268-F272 HydrophobicContact CG2-CE1 4.32Å; T268-F272 HydrophobicContact CG2-CE2 3.36Å; T268-F272 HydrophobicContact CG2-CZ 3.5Å; T268-F272 WeakPolarHBondContact O-CD2 3.12Å; T268-F272 VanDerWaalsContact O-CG 3.31Å; T268-F272 WeakPolarHBondContact O-CG 3.4Å; T268-F272 PolarHBondContact O-N 3.44Å |
| 269 | N | 89.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 175.5 | -167.1 | -22.2 | 0 | 0 | 0 | 111.3 | E265 T266 L271 F272 R273 | E265-N269 WeakPolarHBondContact O-CB 3.35Å; E265-N269 PolarHBondContact O-N 3Å; T266-N269 PolarHBondContact O-N 3.31Å; N269-L271 VanDerWaalsContact C-N 3.27Å; N269-L271 PolarHBondContact O-N 2.72Å; N269-F272 PolarHBondContact O-N 3.45Å; N269-R273 VanDerWaalsContact O-CG 3.32Å; N269-R273 WeakPolarHBondContact O-CG 3.45Å; N269-R273 PolarHBondContact O-N 3.5Å; N269-R273 PolarHBondContact OD1-NE 3.43Å; N269-R273 VanDerWaalsContact OD1-NE 3.08Å |
| 270 | H | 90.7 | Very high | 89.1 | Confident | 43 Ų | 43 | 38 Ų | 38 | 20% | 0.199 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -38.7 | 174.9 | -73.4 | 171.8 | 0 | 0 | 0 | 112.7 | T266 N267 R273 V274 N548 T549 I550 | T266-H270 PolarHBondContact O-N 2.86Å; N267-H270 PolarHBondContact O-N 2.99Å; H270-R273 PolarHBondContact O-N 3.38Å; H270-V274 WeakPolarHBondContact O-CG2 3.47Å; H270-V274 PolarHBondContact O-N 2.93Å; H270-N548 PolarHBondContact O-ND2 2.91Å; H270-T549 PolarHBondContact ND1-OG1 2.89Å; H270-I550 HydrophobicContact CB-CD1 3.66Å; H270-I550 HydrophobicContact CB-CG1 4.03Å |
| 271 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.7 | -178.9 | 64.1 | 0 | 0 | 0 | 111 | F151 L258 N267 T268 N269 R273 V274 V275 T356 L360 I550 | F151-L271 HydrophobicContact CE1-CD1 4.06Å; F151-L271 HydrophobicContact CE1-CG 4.38Å; F151-L271 HydrophobicContact CE2-CD2 4.32Å; F151-L271 HydrophobicContact CZ-CD1 4.05Å; F151-L271 HydrophobicContact CZ-CD2 3.74Å; F151-L271 HydrophobicContact CZ-CG 3.91Å; L258-L271 HydrophobicContact CD2-CD2 4.46Å; N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.14Å; T268-L271 PolarHBondContact O-N 3.15Å; N269-L271 VanDerWaalsContact C-N 3.27Å; N269-L271 PolarHBondContact O-N 2.72Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.45Å; L271-V274 WeakPolarHBondContact O-CB 3.4Å; L271-V274 PolarHBondContact O-N 2.91Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 3.47Å; L271-V275 VanDerWaalsContact O-N 3.07Å; L271-T356 HydrophobicContact CD1-CG2 3.45Å; L271-T356 VanDerWaalsContact CD1-CG2 3.45Å; L271-L360 HydrophobicContact CD2-CD1 4.01Å; L271-I550 HydrophobicContact CB-CD1 3.94Å |
| 272 | F | 92.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -34.2 | 177.5 | -59.9 | -24.6 | 0 | 0 | 0 | 112.6 | L218 L222 W251 L258 T268 N269 V274 V275 A276 | L218-F272 HydrophobicContact CD1-CD2 4.49Å; L218-F272 HydrophobicContact CD2-CD2 4.18Å; L222-F272 HydrophobicContact CD1-CB 4.13Å; W251-F272 AromaticContact CH2-CD1 3.92Å; W251-F272 HydrophobicContact CH2-CD1 3.92Å; W251-F272 HydrophobicContact CH2-CD2 4.25Å; W251-F272 AromaticContact CH2-CE1 3.49Å; W251-F272 HydrophobicContact CH2-CE1 3.49Å; W251-F272 VanDerWaalsContact CH2-CE1 3.49Å; W251-F272 AromaticContact CH2-CE2 3.83Å; W251-F272 HydrophobicContact CH2-CE2 3.83Å; W251-F272 HydrophobicContact CH2-CG 4.29Å; W251-F272 AromaticContact CH2-CZ 3.44Å; W251-F272 HydrophobicContact CH2-CZ 3.44Å; W251-F272 VanDerWaalsContact CH2-CZ 3.44Å; W251-F272 HydrophobicContact CZ2-CE1 4.46Å; W251-F272 HydrophobicContact CZ2-CE2 4.04Å; W251-F272 AromaticContact CZ2-CZ 4Å; W251-F272 HydrophobicContact CZ2-CZ 4Å; W251-F272 HydrophobicContact CZ3-CE1 4Å; W251-F272 HydrophobicContact CZ3-CZ 4.2Å; L258-F272 HydrophobicContact CD1-CE1 4.15Å; L258-F272 HydrophobicContact CD1-CZ 3.99Å; T268-F272 HydrophobicContact CG2-CD2 4.07Å; T268-F272 HydrophobicContact CG2-CE1 4.32Å; T268-F272 HydrophobicContact CG2-CE2 3.36Å; T268-F272 HydrophobicContact CG2-CZ 3.5Å; T268-F272 WeakPolarHBondContact O-CD2 3.12Å; T268-F272 VanDerWaalsContact O-CG 3.31Å; T268-F272 WeakPolarHBondContact O-CG 3.4Å; T268-F272 PolarHBondContact O-N 3.44Å; N269-F272 PolarHBondContact O-N 3.45Å; F272-V274 VanDerWaalsContact C-N 3.31Å; F272-V274 PolarHBondContact O-N 3Å; F272-V275 PolarHBondContact O-N 2.93Å; F272-A276 WeakPolarHBondContact O-CB 3.36Å; F272-A276 PolarHBondContact O-N 3.28Å |
| 273 | R | 93.3 | Very high | 90.2 | Very high | 84 Ų | 84 | 30.5 Ų | 30.5 | 32% | 0.317 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 170.7 | -71.9 | 176.3 | -177.3 | -151 | -5.8 | 112.2 | L222 N269 H270 L271 S277 L308 | L222-R273 HydrophobicContact CD2-CB 4.29Å; L222-R273 HydrophobicContact CD2-CG 3.66Å; N269-R273 VanDerWaalsContact O-CG 3.32Å; N269-R273 WeakPolarHBondContact O-CG 3.45Å; N269-R273 PolarHBondContact O-N 3.5Å; N269-R273 PolarHBondContact OD1-NE 3.43Å; N269-R273 VanDerWaalsContact OD1-NE 3.08Å; H270-R273 PolarHBondContact O-N 3.38Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.45Å; R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.22Å; R273-L308 HydrophobicContact CB-CB 4.46Å; R273-L308 HydrophobicContact CB-CD2 4.07Å; R273-L308 HydrophobicContact CG-CD2 3.89Å |
| 274 | V | 92.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | H270 L271 F272 A276 S277 V278 I352 T356 V551 | H270-V274 WeakPolarHBondContact O-CG2 3.47Å; H270-V274 PolarHBondContact O-N 2.93Å; L271-V274 WeakPolarHBondContact O-CB 3.4Å; L271-V274 PolarHBondContact O-N 2.91Å; F272-V274 VanDerWaalsContact C-N 3.31Å; F272-V274 PolarHBondContact O-N 3Å; V274-A276 PolarHBondContact O-N 3.45Å; V274-S277 PolarHBondContact O-N 3.47Å; V274-S277 PolarHBondContact O-OG 3.47Å; V274-V278 WeakPolarHBondContact O-CG2 3.42Å; V274-V278 PolarHBondContact O-N 3.45Å; V274-V278 VanDerWaalsContact O-N 3.15Å; V274-I352 HydrophobicContact CG1-CG2 3.41Å; V274-I352 VanDerWaalsContact CG1-CG2 3.41Å; V274-T356 HydrophobicContact CG1-CG2 4.1Å; V274-T356 WeakPolarHBondContact CG1-OG1 3.37Å; V274-V551 HydrophobicContact CG2-CG2 3.49Å; V274-V551 VanDerWaalsContact CG2-CG2 3.49Å |
| 275 | V | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | F151 V206 F207 L210 L271 F272 S277 V278 L279 | F151-V275 HydrophobicContact CE1-CG2 3.77Å; F151-V275 HydrophobicContact CZ-CG2 4.24Å; V206-V275 HydrophobicContact CG2-CG1 4.47Å; V206-V275 HydrophobicContact CG2-CG2 4.41Å; F207-V275 HydrophobicContact CD1-CG1 3.51Å; F207-V275 HydrophobicContact CE1-CG1 3.61Å; L210-V275 HydrophobicContact CD2-CB 4.2Å; L210-V275 HydrophobicContact CD2-CG1 3.75Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 3.47Å; L271-V275 VanDerWaalsContact O-N 3.07Å; F272-V275 PolarHBondContact O-N 2.93Å; V275-S277 PolarHBondContact O-N 3.29Å; V275-V278 PolarHBondContact O-N 2.98Å; V275-L279 PolarHBondContact O-N 3.5Å |
| 276 | A | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L222 L224 F272 V274 V278 L279 H280 L308 | L222-A276 HydrophobicContact CB-CB 3.94Å; L222-A276 HydrophobicContact CD1-CB 4.41Å; L222-A276 HydrophobicContact CD2-CB 4.07Å; L222-A276 HydrophobicContact CG-CB 4.37Å; L224-A276 HydrophobicContact CD1-CB 3.87Å; L224-A276 HydrophobicContact CD2-CB 4.23Å; L224-A276 HydrophobicContact CG-CB 4.13Å; F272-A276 WeakPolarHBondContact O-CB 3.36Å; F272-A276 PolarHBondContact O-N 3.28Å; V274-A276 PolarHBondContact O-N 3.45Å; A276-V278 VanDerWaalsContact C-N 3.25Å; A276-V278 PolarHBondContact O-N 2.93Å; A276-L279 WeakPolarHBondContact O-CB 3.47Å; A276-L279 PolarHBondContact O-N 3.33Å; A276-L279 VanDerWaalsContact O-N 3.1Å; A276-H280 PolarHBondContact O-CD2 2.77Å; A276-H280 VanDerWaalsContact O-CD2 3.28Å; A276-H280 PolarHBondContact O-N 3.04Å; A276-L308 HydrophobicContact CB-CD1 3.9Å |
| 277 | S | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -34.6 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | R273 V274 V275 L281 L309 | R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.22Å; V274-S277 PolarHBondContact O-N 3.47Å; V274-S277 PolarHBondContact O-OG 3.47Å; V275-S277 PolarHBondContact O-N 3.29Å; S277-L281 WeakPolarHBondContact O-CB 3.18Å; S277-L281 PolarHBondContact O-N 2.94Å; S277-L309 WeakPolarHBondContact OG-CD2 3.5Å |
| 278 | V | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V194 F207 Y233 V274 V275 A276 L281 G282 A349 I352 | V194-V278 HydrophobicContact CG1-CG1 3.58Å; F207-V278 HydrophobicContact CE1-CB 4.25Å; F207-V278 HydrophobicContact CE1-CG1 4.11Å; F207-V278 HydrophobicContact CZ-CB 4.48Å; F207-V278 HydrophobicContact CZ-CG1 3.95Å; Y233-V278 HydrophobicContact CD2-CG1 4.31Å; Y233-V278 VanDerWaalsContact CD2-O 3.3Å; Y233-V278 WeakPolarHBondContact CD2-O 3.29Å; Y233-V278 HydrophobicContact CE2-CG1 4.37Å; Y233-V278 VanDerWaalsContact CE2-O 3.23Å; Y233-V278 WeakPolarHBondContact CE2-O 3.1Å; V274-V278 WeakPolarHBondContact O-CG2 3.42Å; V274-V278 PolarHBondContact O-N 3.45Å; V274-V278 VanDerWaalsContact O-N 3.15Å; V275-V278 PolarHBondContact O-N 2.98Å; A276-V278 VanDerWaalsContact C-N 3.25Å; A276-V278 PolarHBondContact O-N 2.93Å; V278-L281 PolarHBondContact O-N 3.23Å; V278-G282 PolarHBondContact O-N 2.9Å; V278-A349 HydrophobicContact CG1-CB 4.26Å; V278-I352 HydrophobicContact CG2-CB 4.46Å; V278-I352 HydrophobicContact CG2-CG2 4.02Å |
| 279 | L | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 176.3 | -68.8 | 177.7 | 0 | 0 | 0 | 112 | F207 V211 L224 Y231 L234 V275 A276 L281 G282 | F207-L279 HydrophobicContact CB-CD2 4.3Å; F207-L279 HydrophobicContact CD1-CD1 4Å; F207-L279 HydrophobicContact CD1-CD2 3.52Å; F207-L279 HydrophobicContact CD1-CG 3.65Å; F207-L279 HydrophobicContact CE1-CD2 4.02Å; F207-L279 HydrophobicContact CE1-CG 4.05Å; F207-L279 HydrophobicContact CG-CD2 4.06Å; V211-L279 HydrophobicContact CG2-CD1 4.19Å; L224-L279 HydrophobicContact CD1-CD1 4.49Å; L224-L279 HydrophobicContact CD2-CB 4.42Å; L224-L279 HydrophobicContact CD2-CD1 4.1Å; Y231-L279 HydrophobicContact CD1-CB 3.75Å; Y231-L279 HydrophobicContact CE1-CB 4.13Å; Y231-L279 HydrophobicContact CG-CB 4.28Å; Y231-L279 HydrophobicContact CG-CD2 4.42Å; L234-L279 HydrophobicContact CD1-CD2 3.87Å; L234-L279 HydrophobicContact CD2-CD2 4.04Å; L234-L279 HydrophobicContact CG-CD2 3.84Å; V275-L279 PolarHBondContact O-N 3.5Å; A276-L279 WeakPolarHBondContact O-CB 3.47Å; A276-L279 PolarHBondContact O-N 3.33Å; A276-L279 VanDerWaalsContact O-N 3.1Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.93Å; L279-G282 PolarHBondContact O-N 3.48Å |
| 280 | H | 92.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -36.4 | 176.2 | -74.1 | -67.5 | 0 | 0 | 0 | 112.4 | L222 G223 A276 G282 N283 E301 V305 | L222-H280 PolarHBondContact O-NE2 3.02Å; G223-H280 PolarHBondContact O-CE1 3.41Å; G223-H280 PolarHBondContact O-NE2 3.27Å; A276-H280 PolarHBondContact O-CD2 2.77Å; A276-H280 VanDerWaalsContact O-CD2 3.28Å; A276-H280 PolarHBondContact O-N 3.04Å; H280-G282 PolarHBondContact O-N 3.42Å; H280-N283 PolarHBondContact O-N 3.46Å; H280-E301 IonicContact CE1-OE2 3.93Å; H280-E301 IonicContact CG-OE2 3.73Å; H280-E301 IonicContact ND1-OE2 3.57Å; H280-E301 PolarHBondContact ND1-OE2 3.12Å; H280-V305 HydrophobicContact CB-CG2 3.62Å |
| 281 | L | 90.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -34.3 | 177.4 | -172.2 | 62.4 | 0 | 0 | 0 | 111.7 | S277 V278 L279 N283 V284 V305 L320 R345 L348 A349 | S277-L281 WeakPolarHBondContact O-CB 3.18Å; S277-L281 PolarHBondContact O-N 2.94Å; V278-L281 PolarHBondContact O-N 3.23Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.93Å; L281-N283 VanDerWaalsContact C-N 3.28Å; L281-N283 PolarHBondContact O-N 3.21Å; L281-V284 HydrophobicContact CD1-CG2 4.29Å; L281-V284 WeakPolarHBondContact O-CB 3.48Å; L281-V284 WeakPolarHBondContact O-CG2 3.23Å; L281-V284 PolarHBondContact O-N 2.92Å; L281-V305 HydrophobicContact CB-CG2 4.19Å; L281-V305 HydrophobicContact CD1-CG1 4.48Å; L281-L320 HydrophobicContact CD1-CD1 4.49Å; L281-R345 HydrophobicContact CD1-CG 4.02Å; L281-R345 HydrophobicContact CG-CG 3.9Å; L281-R345 WeakPolarHBondContact O-CD 3.46Å; L281-R345 WeakPolarHBondContact O-CG 3.1Å; L281-L348 HydrophobicContact CD1-CD2 4.49Å; L281-L348 HydrophobicContact CD2-CB 4.12Å; L281-L348 HydrophobicContact CD2-CD2 4.05Å; L281-L348 HydrophobicContact CD2-CG 3.89Å; L281-A349 HydrophobicContact CD2-CB 3.88Å |
| 282 | G | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -25.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V278 L279 H280 V284 R345 | V278-G282 PolarHBondContact O-N 2.9Å; L279-G282 PolarHBondContact O-N 3.48Å; H280-G282 PolarHBondContact O-N 3.42Å; G282-V284 VanDerWaalsContact C-N 3.28Å; G282-V284 PolarHBondContact O-N 2.87Å; G282-R345 PolarHBondContact O-NH1 3.16Å |
| 283 | N | 90.8 | Very high | 87.3 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 0.5 | 177.7 | -71.4 | -0.7 | 0 | 0 | 0 | 113 | H230 Y232 H280 L281 H285 E301 | H230-N283 PolarHBondContact O-ND2 3.47Å; H230-N283 PolarHBondContact O-OD1 2.91Å; Y232-N283 PolarHBondContact N-OD1 3.36Å; H280-N283 PolarHBondContact O-N 3.46Å; L281-N283 VanDerWaalsContact C-N 3.28Å; L281-N283 PolarHBondContact O-N 3.21Å; N283-H285 PolarHBondContact O-CE1 2.96Å; N283-H285 PolarHBondContact O-N 3.02Å; N283-H285 PolarHBondContact O-ND1 3.38Å; N283-E301 HydrophobicContact CB-CG 3.98Å |
| 284 | V | 88.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | trans | -73.5 | 117.5 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L281 G282 F286 L296 E301 L320 R345 | L281-V284 HydrophobicContact CD1-CG2 4.29Å; L281-V284 WeakPolarHBondContact O-CB 3.48Å; L281-V284 WeakPolarHBondContact O-CG2 3.23Å; L281-V284 PolarHBondContact O-N 2.92Å; G282-V284 VanDerWaalsContact C-N 3.28Å; G282-V284 PolarHBondContact O-N 2.87Å; V284-F286 HydrophobicContact CG1-CE1 4.44Å; V284-F286 HydrophobicContact CG1-CE2 4.5Å; V284-F286 HydrophobicContact CG1-CZ 4.13Å; V284-L296 HydrophobicContact CG1-CD1 4.21Å; V284-L296 HydrophobicContact CG1-CD2 3.6Å; V284-L296 HydrophobicContact CG1-CG 4.4Å; V284-E301 HydrophobicContact CG2-CB 4.3Å; V284-L320 HydrophobicContact CG1-CD1 4.49Å; V284-R345 PolarHBondContact O-NH1 3.31Å | ||
| 285 | H | 85.3 | Confident | 86.3 | Confident | 130 Ų | 130 | 40.5 Ų | 40.5 | 60% | 0.602 | 23% | 0.225 | S | C | * | . | trans | -108.2 | 144.5 | 179.2 | -67.2 | 77.2 | 0 | 0 | 0 | 111 | N283 L296 | N283-H285 PolarHBondContact O-CE1 2.96Å; N283-H285 PolarHBondContact O-N 3.02Å; N283-H285 PolarHBondContact O-ND1 3.38Å; H285-L296 WeakPolarHBondContact O-CD2 3.3Å | ||
| 286 | F | 87 | Confident | 85.7 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | trans | -114.4 | 129.5 | 179.3 | -58.3 | -81.6 | 0 | 0 | 0 | 110.2 | V284 A294 L296 L320 T321 I338 A341 I342 R345 | V284-F286 HydrophobicContact CG1-CE1 4.44Å; V284-F286 HydrophobicContact CG1-CE2 4.5Å; V284-F286 HydrophobicContact CG1-CZ 4.13Å; F286-A294 HydrophobicContact CB-CB 4.26Å; F286-A294 HydrophobicContact CD1-CB 4.19Å; F286-A294 HydrophobicContact CG-CB 4.44Å; F286-L296 HydrophobicContact CD1-CD1 3.98Å; F286-L296 HydrophobicContact CD1-CG 3.86Å; F286-L296 HydrophobicContact CE1-CD1 3.52Å; F286-L296 HydrophobicContact CE1-CG 3.92Å; F286-L296 HydrophobicContact CZ-CD1 4.46Å; F286-L320 HydrophobicContact CE1-CB 4.11Å; F286-L320 HydrophobicContact CZ-CB 4.18Å; F286-T321 HydrophobicContact CE1-CG2 4.35Å; F286-I338 HydrophobicContact CB-CG2 4.47Å; F286-A341 HydrophobicContact CD1-CB 3.83Å; F286-A341 HydrophobicContact CD2-CB 3.95Å; F286-A341 HydrophobicContact CE1-CB 3.82Å; F286-A341 HydrophobicContact CE2-CB 3.95Å; F286-A341 WeakPolarHBondContact CE2-O 3.2Å; F286-A341 HydrophobicContact CG-CB 3.89Å; F286-A341 HydrophobicContact CZ-CB 3.88Å; F286-I342 HydrophobicContact CD2-CG1 3.93Å; F286-I342 HydrophobicContact CE2-CG1 4.39Å; F286-R345 HydrophobicContact CE2-CB 4.09Å; F286-R345 HydrophobicContact CZ-CB 4.27Å | ||
| 287 | D | 84.6 | Confident | 84.3 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 149.5 | 174.5 | -70.3 | -44.6 | 0 | 0 | 0 | 110.9 | L295 K297 | D287-L295 PolarHBondContact N-O 3.38Å; D287-L295 PolarHBondContact O-N 2.95Å; D287-K297 VanDerWaalsContact OD2-CD 3.31Å; D287-K297 WeakPolarHBondContact OD2-CD 3.37Å; D287-K297 WeakPolarHBondContact OD2-CG 3.34Å |
| 288 | P | 82.9 | Confident | 82.9 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131 | 170.6 | 22.6 | -27.2 | 0 | 0 | 0 | 111.6 | I338 | P288-I338 HydrophobicContact CB-CD1 3.72Å; P288-I338 HydrophobicContact CG-CD1 4.14Å |
| 289 | D | 81.3 | Confident | 81.6 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 166.7 | 159.3 | -170.8 | 14.7 | 0 | 0 | 0 | 110.6 | K291 G292 H293 L295 | D289-K291 PolarHBondContact O-N 2.93Å; D289-G292 PolarHBondContact O-N 3.2Å; D289-H293 HydrophobicContact CB-CB 4.44Å; D289-H293 WeakPolarHBondContact CB-O 3.32Å; D289-H293 PolarHBondContact N-O 2.58Å; D289-L295 HydrophobicContact CB-CB 4.48Å |
| 290 | S | 74.8 | Confident | 81.2 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -19.1 | 173.3 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 291 | K | 75.4 | Confident | 80.8 | Confident | 167 Ų | 167 | 62.2 Ų | 62.2 | 73% | 0.726 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 7.7 | 175.4 | -64.1 | -179.6 | -176.7 | 177.7 | 0 | 114.3 | D289 | D289-K291 PolarHBondContact O-N 2.93Š|
| 292 | G | 74.7 | Confident | 80.6 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 79.2 | 12.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D289 | D289-G292 PolarHBondContact O-N 3.2Š|
| 293 | H | 84.1 | Confident | 80.6 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 153.9 | 175.3 | -58.8 | -54.7 | 0 | 0 | 0 | 111.6 | D289 L295 P335 F336 | D289-H293 HydrophobicContact CB-CB 4.44Å; D289-H293 WeakPolarHBondContact CB-O 3.32Å; D289-H293 PolarHBondContact N-O 2.58Å; H293-L295 PolarHBondContact O-N 3.18Å; H293-P335 HydrophobicContact CB-CB 4.15Å; H293-F336 WeakPolarHBondContact CA-O 3.48Å |
| 294 | A | 82.8 | Confident | 80.6 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F286 F336 A341 | F286-A294 HydrophobicContact CB-CB 4.26Å; F286-A294 HydrophobicContact CD1-CB 4.19Å; F286-A294 HydrophobicContact CG-CB 4.44Å; A294-F336 PolarHBondContact N-O 3.46Å; A294-A341 HydrophobicContact CB-CB 3.5Å |
| 295 | L | 82.1 | Confident | 80.6 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137 | 174.8 | -165.7 | 94.5 | 0 | 0 | 0 | 110.3 | D287 D289 H293 K297 | D287-L295 PolarHBondContact N-O 3.38Å; D287-L295 PolarHBondContact O-N 2.95Å; D289-L295 HydrophobicContact CB-CB 4.48Å; H293-L295 PolarHBondContact O-N 3.18Å; L295-K297 HydrophobicContact CD2-CG 3.92Å |
| 296 | L | 79.4 | Confident | 80.9 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | trans | -101.7 | 110 | 175.4 | -101.4 | 156 | 0 | 0 | 0 | 110.4 | V284 H285 F286 L302 K317 L320 T321 | V284-L296 HydrophobicContact CG1-CD1 4.21Å; V284-L296 HydrophobicContact CG1-CD2 3.6Å; V284-L296 HydrophobicContact CG1-CG 4.4Å; H285-L296 WeakPolarHBondContact O-CD2 3.3Å; F286-L296 HydrophobicContact CD1-CD1 3.98Å; F286-L296 HydrophobicContact CD1-CG 3.86Å; F286-L296 HydrophobicContact CE1-CD1 3.52Å; F286-L296 HydrophobicContact CE1-CG 3.92Å; F286-L296 HydrophobicContact CZ-CD1 4.46Å; L296-L302 HydrophobicContact CD1-CD1 4.38Å; L296-K317 HydrophobicContact CB-CD 4.5Å; L296-K317 HydrophobicContact CB-CG 4.41Å; L296-K317 HydrophobicContact CD1-CG 4.32Å; L296-K317 PolarHBondContact O-NZ 2.89Å; L296-L320 HydrophobicContact CD1-CD1 4.46Å; L296-T321 HydrophobicContact CD1-CG2 4.09Å | ||
| 297 | K | 64.9 | Low | 81.1 | Confident | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.596 | 37% | 0.365 | S | S | * | . | trans | -92.3 | -36.3 | 178.5 | -72 | -170.8 | -172.3 | 160.5 | 0 | 114.2 | D287 L295 | D287-K297 VanDerWaalsContact OD2-CD 3.31Å; D287-K297 WeakPolarHBondContact OD2-CD 3.37Å; D287-K297 WeakPolarHBondContact OD2-CG 3.34Å; L295-K297 HydrophobicContact CD2-CG 3.92Å | ||
| 298 | N | 63.7 | Low | 81.3 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | trans | -99.3 | 118.8 | -179.4 | -77 | -9.4 | 0 | 0 | 0 | 111.3 | ||||
| 299 | N | 67.6 | Low | 81.6 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | trans | -97.5 | -2.5 | -177.4 | -74.5 | -5.4 | 0 | 0 | 0 | 113.9 | L302 N303 | N299-L302 PolarHBondContact O-N 3.48Å; N299-N303 VanDerWaalsContact O-CB 3.29Å; N299-N303 WeakPolarHBondContact O-CB 3.49Å; N299-N303 PolarHBondContact O-N 2.91Å; N299-N303 PolarHBondContact O-ND2 2.65Å; N299-N303 PolarHBondContact O-OD1 2.85Å | ||
| 300 | T | 83.3 | Confident | 81.9 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 53% | 0.534 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -54.4 | -174.3 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | L302 N303 W304 | T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 2.94Å; T300-N303 PolarHBondContact O-N 3.27Å; T300-W304 PolarHBondContact O-N 3.1Å; T300-W304 VanDerWaalsContact O-N 3.11Å |
| 301 | E | 84.8 | Confident | 82.6 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.6 | -57.6 | -49.7 | 121.1 | 0 | 0 | 111.5 | H280 N283 V284 N303 W304 V305 | H280-E301 IonicContact CE1-OE2 3.93Å; H280-E301 IonicContact CG-OE2 3.73Å; H280-E301 IonicContact ND1-OE2 3.57Å; H280-E301 PolarHBondContact ND1-OE2 3.12Å; N283-E301 HydrophobicContact CB-CG 3.98Å; V284-E301 HydrophobicContact CG2-CB 4.3Å; E301-N303 VanDerWaalsContact C-N 3.34Å; E301-N303 PolarHBondContact O-N 3.44Å; E301-W304 PolarHBondContact O-N 3.3Å; E301-V305 WeakPolarHBondContact O-CG2 3.2Å; E301-V305 PolarHBondContact O-N 3.45Å |
| 302 | L | 85.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.1 | -163.6 | 90.5 | 0 | 0 | 0 | 111.6 | L296 N299 T300 V305 S306 L316 K317 L320 | L296-L302 HydrophobicContact CD1-CD1 4.38Å; N299-L302 PolarHBondContact O-N 3.48Å; T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 2.94Å; L302-V305 PolarHBondContact O-N 3.14Å; L302-S306 VanDerWaalsContact O-CB 3.32Å; L302-S306 WeakPolarHBondContact O-CB 3.27Å; L302-S306 PolarHBondContact O-N 3.46Å; L302-L316 HydrophobicContact CD1-CD2 4.04Å; L302-L316 HydrophobicContact CD1-CG 4.2Å; L302-L316 HydrophobicContact CG-CD2 4.27Å; L302-K317 HydrophobicContact CD2-CB 3.97Å; L302-L320 HydrophobicContact CD1-CD1 3.88Å |
| 303 | N | 88.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.3 | -70.3 | -16.2 | 0 | 0 | 0 | 110.7 | N299 T300 E301 V305 S306 D307 | N299-N303 VanDerWaalsContact O-CB 3.29Å; N299-N303 WeakPolarHBondContact O-CB 3.49Å; N299-N303 PolarHBondContact O-N 2.91Å; N299-N303 PolarHBondContact O-ND2 2.65Å; N299-N303 PolarHBondContact O-OD1 2.85Å; T300-N303 PolarHBondContact O-N 3.27Å; E301-N303 VanDerWaalsContact C-N 3.34Å; E301-N303 PolarHBondContact O-N 3.44Å; N303-V305 PolarHBondContact O-N 3.11Å; N303-S306 VanDerWaalsContact O-CB 3.3Å; N303-S306 WeakPolarHBondContact O-CB 3.33Å; N303-S306 PolarHBondContact O-N 3.43Å; N303-D307 WeakPolarHBondContact O-CB 3.47Å; N303-D307 PolarHBondContact O-N 2.8Å |
| 304 | W | 90.9 | Very high | 83.8 | Confident | 95 Ų | 95 | 51.6 Ų | 51.6 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 172.9 | -78 | 121.3 | 0 | 0 | 0 | 112.1 | T300 E301 S306 D307 L308 | T300-W304 PolarHBondContact O-N 3.1Å; T300-W304 VanDerWaalsContact O-N 3.11Å; E301-W304 PolarHBondContact O-N 3.3Å; W304-S306 VanDerWaalsContact C-N 3.29Å; W304-S306 PolarHBondContact O-N 3.28Å; W304-D307 PolarHBondContact O-N 2.75Å; W304-L308 WeakPolarHBondContact O-CB 3.35Å; W304-L308 WeakPolarHBondContact O-CD1 3.41Å; W304-L308 WeakPolarHBondContact O-CG 3.27Å; W304-L308 PolarHBondContact O-N 3.04Å |
| 305 | V | 89.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | H280 L281 E301 L302 N303 L309 L316 | H280-V305 HydrophobicContact CB-CG2 3.62Å; L281-V305 HydrophobicContact CB-CG2 4.19Å; L281-V305 HydrophobicContact CD1-CG1 4.48Å; E301-V305 WeakPolarHBondContact O-CG2 3.2Å; E301-V305 PolarHBondContact O-N 3.45Å; L302-V305 PolarHBondContact O-N 3.14Å; N303-V305 PolarHBondContact O-N 3.11Å; V305-L309 HydrophobicContact CG1-CD1 3.67Å; V305-L309 HydrophobicContact CG1-CG 4.32Å; V305-L309 VanDerWaalsContact O-CB 3.31Å; V305-L309 WeakPolarHBondContact O-CB 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.1Å; V305-L309 PolarHBondContact O-N 3.26Å; V305-L316 HydrophobicContact CB-CD2 4.24Å; V305-L316 HydrophobicContact CG1-CD2 3.7Å |
| 306 | S | 90.3 | Very high | 84.1 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.5 | -156.6 | 0 | 0 | 0 | 0 | 112 | L302 N303 W304 G310 V311 A313 | L302-S306 VanDerWaalsContact O-CB 3.32Å; L302-S306 WeakPolarHBondContact O-CB 3.27Å; L302-S306 PolarHBondContact O-N 3.46Å; N303-S306 VanDerWaalsContact O-CB 3.3Å; N303-S306 WeakPolarHBondContact O-CB 3.33Å; N303-S306 PolarHBondContact O-N 3.43Å; W304-S306 VanDerWaalsContact C-N 3.29Å; W304-S306 PolarHBondContact O-N 3.28Å; S306-G310 CarbonylContact O-C 3.57Å; S306-G310 WeakPolarHBondContact O-CA 3.46Å; S306-G310 PolarHBondContact O-N 2.83Å; S306-V311 PolarHBondContact O-N 3.42Å; S306-V311 PolarHBondContact OG-O 3.32Å; S306-A313 VanDerWaalsContact OG-CA 3.25Å; S306-A313 WeakPolarHBondContact OG-CA 3.43Å; S306-A313 WeakPolarHBondContact OG-CB 3.49Å; S306-A313 PolarHBondContact OG-N 3.24Å |
| 307 | D | 90.7 | Very high | 84.5 | Confident | 111 Ų | 111 | 52.8 Ų | 52.8 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.9 | -42.1 | -178.8 | -72.9 | -21.7 | 0 | 0 | 0 | 112 | N303 W304 G310 | N303-D307 WeakPolarHBondContact O-CB 3.47Å; N303-D307 PolarHBondContact O-N 2.8Å; W304-D307 PolarHBondContact O-N 2.75Å; D307-G310 PolarHBondContact O-N 2.69Å |
| 308 | L | 90.8 | Very high | 85.5 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.6 | -43.2 | -179.2 | -68.5 | 170 | 0 | 0 | 0 | 112.5 | L222 R273 A276 W304 G310 | L222-L308 HydrophobicContact CD2-CD2 4.05Å; R273-L308 HydrophobicContact CB-CB 4.46Å; R273-L308 HydrophobicContact CB-CD2 4.07Å; R273-L308 HydrophobicContact CG-CD2 3.89Å; A276-L308 HydrophobicContact CB-CD1 3.9Å; W304-L308 WeakPolarHBondContact O-CB 3.35Å; W304-L308 WeakPolarHBondContact O-CD1 3.41Å; W304-L308 WeakPolarHBondContact O-CG 3.27Å; W304-L308 PolarHBondContact O-N 3.04Å; L308-G310 VanDerWaalsContact C-N 3.33Å |
| 309 | L | 88.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.8 | -17.8 | 173.5 | -65.3 | 177 | 0 | 0 | 0 | 111.8 | S277 V305 V311 I352 S546 V551 | S277-L309 WeakPolarHBondContact OG-CD2 3.5Å; V305-L309 HydrophobicContact CG1-CD1 3.67Å; V305-L309 HydrophobicContact CG1-CG 4.32Å; V305-L309 VanDerWaalsContact O-CB 3.31Å; V305-L309 WeakPolarHBondContact O-CB 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.1Å; V305-L309 PolarHBondContact O-N 3.26Å; L309-V311 HydrophobicContact CB-CG1 4.3Å; L309-V311 HydrophobicContact CB-CG2 4.11Å; L309-I352 HydrophobicContact CD1-CD1 3.87Å; L309-I352 HydrophobicContact CD2-CD1 4.26Å; L309-S546 WeakPolarHBondContact O-CB 3.5Å; L309-S546 PolarHBondContact O-OG 3.38Å; L309-V551 HydrophobicContact CD2-CG2 3.99Å |
| 310 | G | 87.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 41.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S306 D307 L308 K547 | S306-G310 CarbonylContact O-C 3.57Å; S306-G310 WeakPolarHBondContact O-CA 3.46Å; S306-G310 PolarHBondContact O-N 2.83Å; D307-G310 PolarHBondContact O-N 2.69Å; L308-G310 VanDerWaalsContact C-N 3.33Å; G310-K547 WeakPolarHBondContact O-CG 3.5Å; G310-K547 PolarHBondContact O-N 3.47Å |
| 311 | V | 88.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | trans | -108.1 | 167.4 | 173.3 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | S306 L309 L316 L542 | S306-V311 PolarHBondContact O-N 3.42Å; S306-V311 PolarHBondContact OG-O 3.32Å; L309-V311 HydrophobicContact CB-CG1 4.3Å; L309-V311 HydrophobicContact CB-CG2 4.11Å; V311-L316 HydrophobicContact CG2-CB 4.48Å; V311-L316 HydrophobicContact CG2-CD2 4.29Å; V311-L542 HydrophobicContact CB-CD1 4.31Å; V311-L542 HydrophobicContact CB-CG 4.38Å; V311-L542 HydrophobicContact CG1-CG 4.42Å | ||
| 312 | D | 88.6 | Confident | 87.5 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | trans | -79.7 | 131 | 175.3 | 173.6 | 71.2 | 0 | 0 | 0 | 111.8 | N314 S315 L316 | D312-N314 PolarHBondContact O-N 3.24Å; D312-N314 PolarHBondContact OD2-N 3.13Å; D312-S315 PolarHBondContact O-N 3.2Å; D312-S315 WeakPolarHBondContact OD2-CB 3.48Å; D312-S315 PolarHBondContact OD2-N 3.29Å; D312-S315 PolarHBondContact OD2-OG 3.3Å; D312-L316 WeakPolarHBondContact O-CB 3.33Å; D312-L316 PolarHBondContact O-N 3.18Å | ||
| 313 | A | 86.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 45 Ų | 45 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S306 L316 K317 | S306-A313 VanDerWaalsContact OG-CA 3.25Å; S306-A313 WeakPolarHBondContact OG-CA 3.43Å; S306-A313 WeakPolarHBondContact OG-CB 3.49Å; S306-A313 PolarHBondContact OG-N 3.24Å; A313-L316 PolarHBondContact O-N 3.05Å; A313-K317 WeakPolarHBondContact O-CB 3.19Å; A313-K317 PolarHBondContact O-N 3.46Å |
| 314 | N | 86 | Confident | 86.7 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 57% | 0.572 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -70.3 | -42.4 | 179.5 | -67 | -40.2 | 0 | 0 | 0 | 110.7 | D312 L316 K317 E318 | D312-N314 PolarHBondContact O-N 3.24Å; D312-N314 PolarHBondContact OD2-N 3.13Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.1Å; N314-K317 WeakPolarHBondContact O-CB 2.86Å; N314-K317 PolarHBondContact O-N 2.92Å; N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.31Å |
| 315 | S | 84.9 | Confident | 85.9 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | D312 G319 | D312-S315 PolarHBondContact O-N 3.2Å; D312-S315 WeakPolarHBondContact OD2-CB 3.48Å; D312-S315 PolarHBondContact OD2-N 3.29Å; D312-S315 PolarHBondContact OD2-OG 3.3Å; S315-G319 PolarHBondContact O-N 2.95Å |
| 316 | L | 85.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 172.5 | -176 | 63 | 0 | 0 | 0 | 111.8 | L302 V305 V311 D312 A313 N314 G319 L320 L348 L542 | L302-L316 HydrophobicContact CD1-CD2 4.04Å; L302-L316 HydrophobicContact CD1-CG 4.2Å; L302-L316 HydrophobicContact CG-CD2 4.27Å; V305-L316 HydrophobicContact CB-CD2 4.24Å; V305-L316 HydrophobicContact CG1-CD2 3.7Å; V311-L316 HydrophobicContact CG2-CB 4.48Å; V311-L316 HydrophobicContact CG2-CD2 4.29Å; D312-L316 WeakPolarHBondContact O-CB 3.33Å; D312-L316 PolarHBondContact O-N 3.18Å; A313-L316 PolarHBondContact O-N 3.05Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.1Å; L316-G319 PolarHBondContact O-N 3.36Å; L316-L320 HydrophobicContact CG-CD1 4.36Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 3.46Å; L316-L348 HydrophobicContact CD1-CD2 4.11Å; L316-L542 VanDerWaalsContact CA-CD2 3.45Å; L316-L542 HydrophobicContact CB-CD2 3.93Å; L316-L542 HydrophobicContact CD1-CD2 3.84Å |
| 317 | K | 87.3 | Confident | 83.6 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.4 | -50 | 174.3 | -174.7 | 173.2 | -176.6 | 158.8 | 0 | 111.1 | L296 L302 A313 N314 G319 L320 T321 | L296-K317 HydrophobicContact CB-CD 4.5Å; L296-K317 HydrophobicContact CB-CG 4.41Å; L296-K317 HydrophobicContact CD1-CG 4.32Å; L296-K317 PolarHBondContact O-NZ 2.89Å; L302-K317 HydrophobicContact CD2-CB 3.97Å; A313-K317 WeakPolarHBondContact O-CB 3.19Å; A313-K317 PolarHBondContact O-N 3.46Å; N314-K317 WeakPolarHBondContact O-CB 2.86Å; N314-K317 PolarHBondContact O-N 2.92Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.29Å; K317-L320 PolarHBondContact O-N 2.84Å; K317-T321 PolarHBondContact O-N 3.25Å; K317-T321 PolarHBondContact O-OG1 2.88Å; K317-T321 VanDerWaalsContact O-OG1 3.05Å |
| 318 | E | 85.8 | Confident | 82.3 | Confident | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 177.2 | -74.5 | -177.3 | -176.1 | 0 | 0 | 112.2 | N314 L320 T321 F322 | N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.31Å; E318-L320 VanDerWaalsContact C-N 3.32Å; E318-L320 PolarHBondContact O-N 3.36Å; E318-T321 PolarHBondContact O-N 3.08Å; E318-F322 WeakPolarHBondContact O-CA 3.31Å; E318-F322 WeakPolarHBondContact O-CB 3.5Å; E318-F322 PolarHBondContact O-N 3.32Å |
| 319 | G | 83.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S315 L316 K317 I539 | S315-G319 PolarHBondContact O-N 2.95Å; L316-G319 PolarHBondContact O-N 3.36Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.29Å; G319-I539 WeakPolarHBondContact O-CD1 3.32Å |
| 320 | L | 85.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.8 | -26.3 | 179.8 | -68 | 176.7 | 0 | 0 | 0 | 113.4 | L281 V284 F286 L296 L302 L316 K317 E318 F336 V344 R345 L348 | L281-L320 HydrophobicContact CD1-CD1 4.49Å; V284-L320 HydrophobicContact CG1-CD1 4.49Å; F286-L320 HydrophobicContact CE1-CB 4.11Å; F286-L320 HydrophobicContact CZ-CB 4.18Å; L296-L320 HydrophobicContact CD1-CD1 4.46Å; L302-L320 HydrophobicContact CD1-CD1 3.88Å; L316-L320 HydrophobicContact CG-CD1 4.36Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 3.46Å; K317-L320 PolarHBondContact O-N 2.84Å; E318-L320 VanDerWaalsContact C-N 3.32Å; E318-L320 PolarHBondContact O-N 3.36Å; L320-F336 WeakPolarHBondContact O-CD2 3.22Å; L320-V344 HydrophobicContact CD2-CG1 3.95Å; L320-R345 HydrophobicContact CD2-CB 4.39Å; L320-L348 HydrophobicContact CD2-CD2 4.3Å |
| 321 | T | 87.1 | Confident | 78.9 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -107.1 | -17 | -176 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | F286 L296 K317 E318 F336 | F286-T321 HydrophobicContact CE1-CG2 4.35Å; L296-T321 HydrophobicContact CD1-CG2 4.09Å; K317-T321 PolarHBondContact O-N 3.25Å; K317-T321 PolarHBondContact O-OG1 2.88Å; K317-T321 VanDerWaalsContact O-OG1 3.05Å; E318-T321 PolarHBondContact O-N 3.08Å; T321-F336 PolarHBondContact O-N 3.46Å |
| 322 | F | 84 | Confident | 78.5 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.1 | -179.4 | -59.7 | -88.5 | 0 | 0 | 0 | 113.3 | E318 L333 S334 P335 F336 N538 | E318-F322 WeakPolarHBondContact O-CA 3.31Å; E318-F322 WeakPolarHBondContact O-CB 3.5Å; E318-F322 PolarHBondContact O-N 3.32Å; F322-L333 HydrophobicContact CB-CB 4.46Å; F322-L333 HydrophobicContact CB-CD2 4.27Å; F322-L333 HydrophobicContact CD1-CB 4.47Å; F322-S334 CarbonylContact C-O 3.58Å; F322-S334 WeakPolarHBondContact CA-O 3.46Å; F322-P335 HydrophobicContact CD1-CB 3.98Å; F322-P335 HydrophobicContact CE1-CB 3.89Å; F322-F336 WeakPolarHBondContact O-CE2 3.43Å; F322-N538 PolarHBondContact O-ND2 3.42Å; F322-N538 VanDerWaalsContact O-ND2 3.11Å |
| 323 | R | 80.5 | Confident | 78 | Confident | 100 Ų | 100 | 78.8 Ų | 78.8 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123 | 167.1 | -164.7 | 176.6 | 175.8 | 173.8 | 0.6 | 110.2 | I325 L333 S334 F336 Y536 | R323-I325 HydrophobicContact CG-CG1 4.12Å; R323-L333 WeakPolarHBondContact O-CA 3.31Å; R323-S334 PolarHBondContact N-O 2.94Å; R323-S334 PolarHBondContact O-N 3.24Å; R323-F336 HydrophobicContact CB-CD1 4.25Å; R323-F336 HydrophobicContact CB-CE1 3.48Å; R323-F336 VanDerWaalsContact CB-CE1 3.48Å; R323-F336 HydrophobicContact CB-CE2 4.38Å; R323-F336 HydrophobicContact CB-CZ 3.53Å; R323-F336 HydrophobicContact CG-CE1 4.01Å; R323-F336 HydrophobicContact CG-CZ 4.05Å; R323-Y536 HydrophobicContact CG-CD1 4.49Å; R323-Y536 HydrophobicContact CG-CE1 4.39Å |
| 324 | K | 77.9 | Confident | 77.8 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117 | 168.8 | -163.5 | 170.2 | -178.6 | 170.8 | 0 | 110.3 | L333 N538 | K324-L333 HydrophobicContact CB-CD2 3.95Å; K324-L333 HydrophobicContact CG-CD2 4.04Å; K324-N538 HydrophobicContact CB-CB 3.93Å; K324-N538 HydrophobicContact CD-CB 4.44Å |
| 325 | I | 74.1 | Confident | 77.7 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.8 | 177 | -57 | 175 | 0 | 0 | 0 | 107.9 | R323 V332 | R323-I325 HydrophobicContact CG-CG1 4.12Å; I325-V332 PolarHBondContact N-O 3.03Å; I325-V332 PolarHBondContact O-N 3.15Å |
| 326 | E | 67.1 | Low | 77.7 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.5 | 176 | -60.3 | -168.1 | 144.1 | 0 | 0 | 109.8 | Q331 | E326-Q331 HydrophobicContact CG-CG 4.25Å; E326-Q331 PolarHBondContact OE1-NE2 2.84Å |
| 327 | A | 65.1 | Low | 77.6 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 92.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T329 E330 | A327-T329 PolarHBondContact O-N 2.78Å; A327-E330 PolarHBondContact N-O 2.9Å; A327-E330 PolarHBondContact O-N 3.35Å; A327-E330 VanDerWaalsContact O-N 3.13Å |
| 328 | K | 62.3 | Low | 77.4 | Confident | 219 Ų | 219 | 77.7 Ų | 77.7 | 95% | 0.952 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | -43.7 | 175.8 | -72.2 | -177.4 | 178.4 | 177.7 | 0 | 117.9 | ||
| 329 | T | 57.6 | Low | 77.1 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 85% | 0.847 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.3 | -16.2 | 179.5 | 41.7 | 0 | 0 | 0 | 0 | 114.3 | A327 | A327-T329 PolarHBondContact O-N 2.78Š|
| 330 | E | 66.3 | Low | 77 | Confident | 138 Ų | 138 | 82.7 Ų | 82.7 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.8 | -179.6 | -69.2 | -179.2 | 177.4 | 0 | 0 | 112 | A327 | A327-E330 PolarHBondContact N-O 2.9Å; A327-E330 PolarHBondContact O-N 3.35Å; A327-E330 VanDerWaalsContact O-N 3.13Å |
| 331 | Q | 71.9 | Confident | 76.9 | Confident | 117 Ų | 117 | 82.7 Ų | 82.7 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.4 | 173.9 | -64.1 | -173 | -19.3 | 0 | 0 | 108.7 | E326 | E326-Q331 HydrophobicContact CG-CG 4.25Å; E326-Q331 PolarHBondContact OE1-NE2 2.84Å |
| 332 | V | 79.4 | Confident | 76.8 | Confident | 76 Ų | 76 | 85 Ų | 85 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.6 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | I325 | I325-V332 PolarHBondContact N-O 3.03Å; I325-V332 PolarHBondContact O-N 3.15Å |
| 333 | L | 79.1 | Confident | 76.7 | Confident | 94 Ų | 94 | 83.9 Ų | 83.9 | 49% | 0.492 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.2 | 172.2 | -67.6 | 171.6 | 0 | 0 | 0 | 109.4 | F322 R323 K324 | F322-L333 HydrophobicContact CB-CB 4.46Å; F322-L333 HydrophobicContact CB-CD2 4.27Å; F322-L333 HydrophobicContact CD1-CB 4.47Å; R323-L333 WeakPolarHBondContact O-CA 3.31Å; K324-L333 HydrophobicContact CB-CD2 3.95Å; K324-L333 HydrophobicContact CG-CD2 4.04Å |
| 334 | S | 82.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | F322 R323 | F322-S334 CarbonylContact C-O 3.58Å; F322-S334 WeakPolarHBondContact CA-O 3.46Å; R323-S334 PolarHBondContact N-O 2.94Å; R323-S334 PolarHBondContact O-N 3.24Å |
| 335 | P | 84.1 | Confident | 77.4 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 143.5 | -178.5 | 27.8 | -34 | 0 | 0 | 0 | 111.9 | H293 F322 | H293-P335 HydrophobicContact CB-CB 4.15Å; F322-P335 HydrophobicContact CD1-CB 3.98Å; F322-P335 HydrophobicContact CE1-CB 3.89Å |
| 336 | F | 82.9 | Confident | 78 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 152.4 | 175 | -70 | -53.8 | 0 | 0 | 0 | 112.1 | H293 A294 L320 T321 F322 R323 H340 A341 V344 Y536 | H293-F336 WeakPolarHBondContact CA-O 3.48Å; A294-F336 PolarHBondContact N-O 3.46Å; L320-F336 WeakPolarHBondContact O-CD2 3.22Å; T321-F336 PolarHBondContact O-N 3.46Å; F322-F336 WeakPolarHBondContact O-CE2 3.43Å; R323-F336 HydrophobicContact CB-CD1 4.25Å; R323-F336 HydrophobicContact CB-CE1 3.48Å; R323-F336 VanDerWaalsContact CB-CE1 3.48Å; R323-F336 HydrophobicContact CB-CE2 4.38Å; R323-F336 HydrophobicContact CB-CZ 3.53Å; R323-F336 HydrophobicContact CG-CE1 4.01Å; R323-F336 HydrophobicContact CG-CZ 4.05Å; F336-H340 HydrophobicContact CB-CB 4.02Å; F336-H340 HydrophobicContact CD1-CB 3.88Å; F336-H340 HydrophobicContact CG-CB 4.23Å; F336-A341 HydrophobicContact CB-CB 4.33Å; F336-V344 HydrophobicContact CD2-CG2 4.19Å; F336-V344 HydrophobicContact CE1-CG2 4.31Å; F336-V344 HydrophobicContact CE2-CG2 3.77Å; F336-V344 HydrophobicContact CZ-CG2 3.84Å; F336-Y536 HydrophobicContact CE1-CD2 4.44Å; F336-Y536 AromaticContact CE1-CE2 3.73Å; F336-Y536 HydrophobicContact CE1-CE2 3.73Å; F336-Y536 HydrophobicContact CE2-CE2 4.48Å; F336-Y536 AromaticContact CZ-CD2 3.73Å; F336-Y536 HydrophobicContact CZ-CD2 3.73Å; F336-Y536 AromaticContact CZ-CE2 3.46Å; F336-Y536 HydrophobicContact CZ-CE2 3.46Å; F336-Y536 VanDerWaalsContact CZ-CE2 3.46Å |
| 337 | T | 84 | Confident | 78.8 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -76.1 | 166.2 | 160.7 | 69.1 | 0 | 0 | 0 | 0 | 109.7 | D339 H340 A341 | T337-D339 VanDerWaalsContact C-N 3.34Å; T337-D339 PolarHBondContact O-N 3.28Å; T337-H340 PolarHBondContact O-N 2.76Å; T337-H340 PolarHBondContact OG1-ND1 2.88Å; T337-A341 PolarHBondContact O-N 2.96Å |
| 338 | I | 83.6 | Confident | 79.8 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.2 | -50 | 179 | -65.7 | 165.9 | 0 | 0 | 0 | 111.1 | F286 P288 H340 A341 I342 | F286-I338 HydrophobicContact CB-CG2 4.47Å; P288-I338 HydrophobicContact CB-CD1 3.72Å; P288-I338 HydrophobicContact CG-CD1 4.14Å; I338-H340 VanDerWaalsContact C-N 3.28Å; I338-H340 PolarHBondContact O-N 3.19Å; I338-A341 PolarHBondContact O-N 3.37Å; I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.41Å; I338-I342 WeakPolarHBondContact O-CG1 3.31Å; I338-I342 PolarHBondContact O-N 2.89Å |
| 339 | D | 80.7 | Confident | 81.2 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.9 | -38.9 | -178.5 | -55.2 | -39.2 | 0 | 0 | 0 | 111.9 | T337 I342 Y343 | T337-D339 VanDerWaalsContact C-N 3.34Å; T337-D339 PolarHBondContact O-N 3.28Å; D339-I342 PolarHBondContact O-N 3.43Å; D339-Y343 WeakPolarHBondContact O-CB 3.42Å; D339-Y343 PolarHBondContact O-N 2.89Å |
| 340 | H | 80.6 | Confident | 82.6 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 175.2 | -76.8 | 81.9 | 0 | 0 | 0 | 112 | F336 T337 I338 Y343 V344 | F336-H340 HydrophobicContact CB-CB 4.02Å; F336-H340 HydrophobicContact CD1-CB 3.88Å; F336-H340 HydrophobicContact CG-CB 4.23Å; T337-H340 PolarHBondContact O-N 2.76Å; T337-H340 PolarHBondContact OG1-ND1 2.88Å; I338-H340 VanDerWaalsContact C-N 3.28Å; I338-H340 PolarHBondContact O-N 3.19Å; H340-Y343 PolarHBondContact O-N 2.93Å; H340-V344 WeakPolarHBondContact O-CB 3.36Å; H340-V344 WeakPolarHBondContact O-CG2 3.39Å; H340-V344 PolarHBondContact O-N 2.93Å |
| 341 | A | 84.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F286 A294 F336 T337 I338 V344 R345 | F286-A341 HydrophobicContact CD1-CB 3.83Å; F286-A341 HydrophobicContact CD2-CB 3.95Å; F286-A341 HydrophobicContact CE1-CB 3.82Å; F286-A341 HydrophobicContact CE2-CB 3.95Å; F286-A341 WeakPolarHBondContact CE2-O 3.2Å; F286-A341 HydrophobicContact CG-CB 3.89Å; F286-A341 HydrophobicContact CZ-CB 3.88Å; A294-A341 HydrophobicContact CB-CB 3.5Å; F336-A341 HydrophobicContact CB-CB 4.33Å; T337-A341 PolarHBondContact O-N 2.96Å; I338-A341 PolarHBondContact O-N 3.37Å; A341-V344 PolarHBondContact O-N 3.01Å; A341-R345 WeakPolarHBondContact O-CB 3.29Å; A341-R345 PolarHBondContact O-N 3.46Å |
| 342 | I | 84.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 171.7 | -66.9 | 170 | 0 | 0 | 0 | 110.1 | F286 I338 D339 V344 R345 D346 | F286-I342 HydrophobicContact CD2-CG1 3.93Å; F286-I342 HydrophobicContact CE2-CG1 4.39Å; I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.41Å; I338-I342 WeakPolarHBondContact O-CG1 3.31Å; I338-I342 PolarHBondContact O-N 2.89Å; D339-I342 PolarHBondContact O-N 3.43Å; I342-V344 VanDerWaalsContact C-N 3.29Å; I342-V344 PolarHBondContact O-N 2.89Å; I342-R345 WeakPolarHBondContact O-CB 3.34Å; I342-R345 PolarHBondContact O-N 3.39Å; I342-D346 WeakPolarHBondContact O-CB 3.42Å; I342-D346 VanDerWaalsContact O-CG 3.3Å; I342-D346 PolarHBondContact O-N 2.72Å |
| 343 | Y | 82.4 | Confident | 85 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 176.1 | 173.7 | -91 | 0 | 0 | 0 | 111.9 | D339 H340 D346 A347 D529 | D339-Y343 WeakPolarHBondContact O-CB 3.42Å; D339-Y343 PolarHBondContact O-N 2.89Å; H340-Y343 PolarHBondContact O-N 2.93Å; Y343-D346 PolarHBondContact O-N 3.03Å; Y343-A347 HydrophobicContact CE1-CB 4.45Å; Y343-A347 VanDerWaalsContact O-CB 3.23Å; Y343-A347 WeakPolarHBondContact O-CB 3.45Å; Y343-A347 PolarHBondContact O-N 3.43Å; Y343-D529 HydrophobicContact CE2-CB 4.3Å |
| 344 | V | 83.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | L320 F336 H340 A341 I342 D346 A347 L348 Y536 I539 | L320-V344 HydrophobicContact CD2-CG1 3.95Å; F336-V344 HydrophobicContact CD2-CG2 4.19Å; F336-V344 HydrophobicContact CE1-CG2 4.31Å; F336-V344 HydrophobicContact CE2-CG2 3.77Å; F336-V344 HydrophobicContact CZ-CG2 3.84Å; H340-V344 WeakPolarHBondContact O-CB 3.36Å; H340-V344 WeakPolarHBondContact O-CG2 3.39Å; H340-V344 PolarHBondContact O-N 2.93Å; A341-V344 PolarHBondContact O-N 3.01Å; I342-V344 VanDerWaalsContact C-N 3.29Å; I342-V344 PolarHBondContact O-N 2.89Å; V344-D346 VanDerWaalsContact C-N 3.32Å; V344-D346 PolarHBondContact O-N 2.93Å; V344-A347 PolarHBondContact O-N 3.46Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 PolarHBondContact O-N 3.04Å; V344-Y536 HydrophobicContact CG2-CD2 3.9Å; V344-Y536 HydrophobicContact CG2-CE2 3.55Å; V344-I539 HydrophobicContact CG1-CD1 3.17Å |
| 345 | R | 87.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.045 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.9 | 177 | -159.4 | 73.9 | 176.9 | 1.9 | 110.7 | L281 G282 V284 F286 L320 A341 I342 L348 A349 | L281-R345 HydrophobicContact CD1-CG 4.02Å; L281-R345 HydrophobicContact CG-CG 3.9Å; L281-R345 WeakPolarHBondContact O-CD 3.46Å; L281-R345 WeakPolarHBondContact O-CG 3.1Å; G282-R345 PolarHBondContact O-NH1 3.16Å; V284-R345 PolarHBondContact O-NH1 3.31Å; F286-R345 HydrophobicContact CE2-CB 4.09Å; F286-R345 HydrophobicContact CZ-CB 4.27Å; L320-R345 HydrophobicContact CD2-CB 4.39Å; A341-R345 WeakPolarHBondContact O-CB 3.29Å; A341-R345 PolarHBondContact O-N 3.46Å; I342-R345 WeakPolarHBondContact O-CB 3.34Å; I342-R345 PolarHBondContact O-N 3.39Å; R345-L348 PolarHBondContact O-N 3.23Å; R345-A349 PolarHBondContact O-N 3.49Å |
| 346 | D | 86.6 | Confident | 86 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 16% | 0.16 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -39.9 | -178.9 | -69.1 | 4.8 | 0 | 0 | 0 | 111.4 | V195 Y233 I342 Y343 V344 L348 A349 K350 | V195-D346 HydrophobicContact CB-CB 4.13Å; V195-D346 HydrophobicContact CG1-CB 3.86Å; V195-D346 HydrophobicContact CG2-CB 4.26Å; Y233-D346 PolarHBondContact OH-OD1 2.94Å; I342-D346 WeakPolarHBondContact O-CB 3.42Å; I342-D346 VanDerWaalsContact O-CG 3.3Å; I342-D346 PolarHBondContact O-N 2.72Å; Y343-D346 PolarHBondContact O-N 3.03Å; V344-D346 VanDerWaalsContact C-N 3.32Å; V344-D346 PolarHBondContact O-N 2.93Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 2.95Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-K350 WeakPolarHBondContact O-CB 3.34Å; D346-K350 WeakPolarHBondContact O-CE 3.42Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.39Å; D346-K350 PolarHBondContact O-N 3.27Å |
| 347 | A | 83.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y343 V344 A351 L535 | Y343-A347 HydrophobicContact CE1-CB 4.45Å; Y343-A347 VanDerWaalsContact O-CB 3.23Å; Y343-A347 WeakPolarHBondContact O-CB 3.45Å; Y343-A347 PolarHBondContact O-N 3.43Å; V344-A347 PolarHBondContact O-N 3.46Å; A347-A351 VanDerWaalsContact O-CB 3.28Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.44Å; A347-L535 HydrophobicContact CB-CD1 4.35Å |
| 348 | L | 87.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.5 | -180 | 57.3 | 0 | 0 | 0 | 112 | L281 L316 L320 V344 R345 D346 K350 A351 I352 L535 I539 V543 | L281-L348 HydrophobicContact CD1-CD2 4.49Å; L281-L348 HydrophobicContact CD2-CB 4.12Å; L281-L348 HydrophobicContact CD2-CD2 4.05Å; L281-L348 HydrophobicContact CD2-CG 3.89Å; L316-L348 HydrophobicContact CD1-CD2 4.11Å; L320-L348 HydrophobicContact CD2-CD2 4.3Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 PolarHBondContact O-N 3.04Å; R345-L348 PolarHBondContact O-N 3.23Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 2.95Å; L348-K350 PolarHBondContact O-N 2.95Å; L348-A351 PolarHBondContact O-N 2.83Å; L348-I352 HydrophobicContact CD1-CD1 3.66Å; L348-I352 HydrophobicContact CD1-CG1 3.94Å; L348-I352 HydrophobicContact CG-CD1 3.83Å; L348-I352 HydrophobicContact CG-CG1 4.48Å; L348-I352 WeakPolarHBondContact O-CG1 3.48Å; L348-I352 PolarHBondContact O-N 2.78Å; L348-L535 HydrophobicContact CB-CD1 4.26Å; L348-L535 HydrophobicContact CD1-CD1 4.31Å; L348-I539 HydrophobicContact CD1-CG2 3.61Å; L348-I539 HydrophobicContact CD2-CG2 4.03Å; L348-I539 HydrophobicContact CG-CG2 4.29Å; L348-V543 HydrophobicContact CD1-CG2 3.9Å |
| 349 | A | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V194 V195 Y233 V278 L281 R345 D346 A351 Y353 | V194-A349 HydrophobicContact CG1-CB 4.44Å; V195-A349 HydrophobicContact CG1-CB 3.9Å; Y233-A349 HydrophobicContact CE2-CB 3.87Å; V278-A349 HydrophobicContact CG1-CB 4.26Å; L281-A349 HydrophobicContact CD2-CB 3.88Å; R345-A349 PolarHBondContact O-N 3.49Å; D346-A349 PolarHBondContact O-N 3.47Å; A349-A351 PolarHBondContact O-N 2.86Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 2.97Å |
| 350 | K | 87.4 | Confident | 87.4 | Confident | 19 Ų | 19 | 21 Ų | 21 | 8% | 0.083 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 176.8 | -73.6 | -175.4 | -73.7 | 146.7 | 0 | 112.5 | K191 V195 D346 L348 G354 D533 | K191-K350 HydrophobicContact CB-CB 4.2Å; K191-K350 HydrophobicContact CB-CD 4.33Å; K191-K350 HydrophobicContact CB-CG 4.25Å; K191-K350 WeakPolarHBondContact O-CG 3.1Å; V195-K350 HydrophobicContact CG1-CG 3.93Å; V195-K350 HydrophobicContact CG2-CD 4.04Å; V195-K350 HydrophobicContact CG2-CG 4.17Å; D346-K350 WeakPolarHBondContact O-CB 3.34Å; D346-K350 WeakPolarHBondContact O-CE 3.42Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.39Å; D346-K350 PolarHBondContact O-N 3.27Å; L348-K350 PolarHBondContact O-N 2.95Å; K350-G354 PolarHBondContact O-N 3.33Å; K350-D533 IonicContact NZ-OD1 3.24Å; K350-D533 PolarHBondContact NZ-OD1 2.85Å |
| 351 | A | 85.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 16.4 Ų | 16.4 | 13% | 0.132 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.7 | -46.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A347 L348 A349 Y353 G354 Q355 L535 F555 | A347-A351 VanDerWaalsContact O-CB 3.28Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.44Å; L348-A351 PolarHBondContact O-N 2.83Å; A349-A351 PolarHBondContact O-N 2.86Å; A351-Y353 PolarHBondContact O-N 2.77Å; A351-G354 PolarHBondContact O-N 3.48Å; A351-Q355 WeakPolarHBondContact O-CB 3.23Å; A351-Q355 VanDerWaalsContact O-CG 3.29Å; A351-Q355 WeakPolarHBondContact O-CG 3.41Å; A351-Q355 PolarHBondContact O-N 2.91Å; A351-L535 HydrophobicContact CB-CD1 3.83Å; A351-L535 HydrophobicContact CB-CD2 4.47Å; A351-F555 HydrophobicContact CB-CE1 4.47Å; A351-F555 HydrophobicContact CB-CZ 4.26Å |
| 352 | I | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 177.1 | -70.7 | 170.2 | 0 | 0 | 0 | 109.7 | V274 V278 L309 L348 T356 F555 | V274-I352 HydrophobicContact CG1-CG2 3.41Å; V274-I352 VanDerWaalsContact CG1-CG2 3.41Å; V278-I352 HydrophobicContact CG2-CB 4.46Å; V278-I352 HydrophobicContact CG2-CG2 4.02Å; L309-I352 HydrophobicContact CD1-CD1 3.87Å; L309-I352 HydrophobicContact CD2-CD1 4.26Å; L348-I352 HydrophobicContact CD1-CD1 3.66Å; L348-I352 HydrophobicContact CD1-CG1 3.94Å; L348-I352 HydrophobicContact CG-CD1 3.83Å; L348-I352 HydrophobicContact CG-CG1 4.48Å; L348-I352 WeakPolarHBondContact O-CG1 3.48Å; L348-I352 PolarHBondContact O-N 2.78Å; I352-T356 VanDerWaalsContact O-CB 3.25Å; I352-T356 WeakPolarHBondContact O-CB 3.4Å; I352-T356 PolarHBondContact O-N 3.09Å; I352-T356 PolarHBondContact O-OG1 3.45Å; I352-F555 HydrophobicContact CG1-CE2 4.46Å; I352-F555 HydrophobicContact CG1-CZ 4.38Å |
| 353 | Y | 92.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | -178.8 | -167.8 | -93.5 | 0 | 0 | 0 | 112.1 | F151 L189 V194 F204 V206 F207 A349 A351 Q355 T356 F357 | F151-Y353 WeakPolarHBondContact CA-OH 3.4Å; F151-Y353 HydrophobicContact CD1-CE2 4.34Å; F151-Y353 PolarHBondContact O-OH 2.73Å; L189-Y353 HydrophobicContact CD2-CD1 3.98Å; L189-Y353 HydrophobicContact CD2-CE1 4.08Å; V194-Y353 HydrophobicContact CG2-CD1 3.49Å; V194-Y353 VanDerWaalsContact CG2-CD1 3.49Å; V194-Y353 HydrophobicContact CG2-CD2 4.45Å; V194-Y353 HydrophobicContact CG2-CE1 4.1Å; V194-Y353 HydrophobicContact CG2-CG 3.69Å; F204-Y353 VanDerWaalsContact CB-OH 3.27Å; F204-Y353 WeakPolarHBondContact CB-OH 3.34Å; F204-Y353 HydrophobicContact CD2-CD1 4.39Å; F204-Y353 AromaticContact CD2-CE1 3.51Å; F204-Y353 HydrophobicContact CD2-CE1 3.51Å; F204-Y353 AromaticContact CD2-CZ 3.65Å; F204-Y353 WeakPolarHBondContact CD2-OH 3.38Å; F204-Y353 HydrophobicContact CE2-CD1 4.26Å; F204-Y353 AromaticContact CE2-CE1 3.62Å; F204-Y353 HydrophobicContact CE2-CE1 3.62Å; F204-Y353 HydrophobicContact CG-CE1 4.14Å; F204-Y353 WeakPolarHBondContact CG-OH 3.05Å; F204-Y353 HydrophobicContact CZ-CE1 4.32Å; V206-Y353 HydrophobicContact CG1-CE2 4.27Å; F207-Y353 HydrophobicContact CE1-CE2 4.4Å; F207-Y353 HydrophobicContact CE2-CD2 4.37Å; F207-Y353 AromaticContact CE2-CE2 3.82Å; F207-Y353 HydrophobicContact CE2-CE2 3.82Å; F207-Y353 AromaticContact CZ-CD2 3.75Å; F207-Y353 HydrophobicContact CZ-CD2 3.75Å; F207-Y353 AromaticContact CZ-CE2 3.53Å; F207-Y353 HydrophobicContact CZ-CE2 3.53Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 2.97Å; A351-Y353 PolarHBondContact O-N 2.77Å; Y353-Q355 PolarHBondContact O-N 2.96Å; Y353-T356 PolarHBondContact O-N 3.36Å; Y353-F357 PolarHBondContact O-N 3.14Å |
| 354 | G | 88.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K350 A351 T358 | K350-G354 PolarHBondContact O-N 3.33Å; A351-G354 PolarHBondContact O-N 3.48Å; G354-T358 PolarHBondContact O-N 3.22Å; G354-T358 PolarHBondContact O-OG1 2.87Å |
| 355 | Q | 87.2 | Confident | 88.7 | Confident | 68 Ų | 68 | 18.7 Ų | 18.7 | 32% | 0.318 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -72.2 | -39.2 | 174.6 | -65.3 | -63.7 | 0.8 | 0 | 0 | 111.9 | A351 Y353 F357 T358 W359 C554 F555 | A351-Q355 WeakPolarHBondContact O-CB 3.23Å; A351-Q355 VanDerWaalsContact O-CG 3.29Å; A351-Q355 WeakPolarHBondContact O-CG 3.41Å; A351-Q355 PolarHBondContact O-N 2.91Å; Y353-Q355 PolarHBondContact O-N 2.96Å; Q355-F357 VanDerWaalsContact C-N 3.31Å; Q355-F357 PolarHBondContact O-N 3.21Å; Q355-T358 PolarHBondContact O-N 3.09Å; Q355-T358 VanDerWaalsContact O-N 3.15Å; Q355-W359 WeakPolarHBondContact O-CB 3.37Å; Q355-W359 PolarHBondContact O-N 3.07Å; Q355-C554 HydrophobicContact CB-CB 3.85Å; Q355-F555 HydrophobicContact CB-CE2 4.32Å; Q355-F555 HydrophobicContact CB-CZ 4.47Å; Q355-F555 HydrophobicContact CG-CE1 4.4Å; Q355-F555 HydrophobicContact CG-CE2 4.37Å; Q355-F555 HydrophobicContact CG-CZ 4.1Å |
| 356 | T | 91.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 176 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | L271 V274 I352 Y353 W359 L360 I550 | L271-T356 HydrophobicContact CD1-CG2 3.45Å; L271-T356 VanDerWaalsContact CD1-CG2 3.45Å; V274-T356 HydrophobicContact CG1-CG2 4.1Å; V274-T356 WeakPolarHBondContact CG1-OG1 3.37Å; I352-T356 VanDerWaalsContact O-CB 3.25Å; I352-T356 WeakPolarHBondContact O-CB 3.4Å; I352-T356 PolarHBondContact O-N 3.09Å; I352-T356 PolarHBondContact O-OG1 3.45Å; Y353-T356 PolarHBondContact O-N 3.36Å; T356-W359 PolarHBondContact O-N 3.03Å; T356-L360 VanDerWaalsContact O-CB 3.32Å; T356-L360 WeakPolarHBondContact O-CB 3.36Å; T356-L360 PolarHBondContact O-N 2.8Å; T356-I550 HydrophobicContact CG2-CG2 4.27Å |
| 357 | F | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 173.7 | -176.8 | -107.6 | 0 | 0 | 0 | 112.4 | L148 F151 F165 N186 L189 Y353 Q355 L360 V361 | L148-F357 HydrophobicContact CD2-CE2 4.2Å; L148-F357 HydrophobicContact CD2-CZ 4.34Å; F151-F357 HydrophobicContact CB-CD2 3.7Å; F151-F357 HydrophobicContact CB-CE2 3.9Å; F165-F357 HydrophobicContact CB-CE1 4.46Å; F165-F357 HydrophobicContact CD1-CZ 4.09Å; F165-F357 HydrophobicContact CD2-CE1 4.04Å; F165-F357 AromaticContact CD2-CZ 3.81Å; F165-F357 HydrophobicContact CD2-CZ 3.81Å; F165-F357 HydrophobicContact CE1-CZ 4.19Å; F165-F357 AromaticContact CE2-CZ 3.9Å; F165-F357 HydrophobicContact CE2-CZ 3.9Å; F165-F357 HydrophobicContact CG-CE1 4.16Å; F165-F357 AromaticContact CG-CZ 3.92Å; F165-F357 HydrophobicContact CG-CZ 3.92Å; F165-F357 HydrophobicContact CZ-CZ 4.11Å; N186-F357 HydrophobicContact CB-CE1 3.97Å; L189-F357 HydrophobicContact CB-CD1 4.22Å; L189-F357 HydrophobicContact CB-CE1 4.4Å; L189-F357 HydrophobicContact CD1-CD1 4.09Å; L189-F357 HydrophobicContact CD1-CE1 4.05Å; L189-F357 HydrophobicContact CD1-CG 4.4Å; L189-F357 HydrophobicContact CD1-CZ 4.33Å; L189-F357 HydrophobicContact CD2-CB 3.83Å; L189-F357 HydrophobicContact CD2-CD1 3.78Å; L189-F357 HydrophobicContact CD2-CG 3.88Å; L189-F357 HydrophobicContact CG-CD1 4.26Å; Y353-F357 PolarHBondContact O-N 3.14Å; Q355-F357 VanDerWaalsContact C-N 3.31Å; Q355-F357 PolarHBondContact O-N 3.21Å; F357-L360 WeakPolarHBondContact O-CB 3.34Å; F357-L360 PolarHBondContact O-N 3.45Å; F357-V361 HydrophobicContact CE1-CG2 4.33Å; F357-V361 HydrophobicContact CZ-CG2 4.37Å; F357-V361 WeakPolarHBondContact O-CG2 3.29Å; F357-V361 PolarHBondContact O-N 2.87Å |
| 358 | T | 88.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 22 Ų | 22 | 29% | 0.294 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 177 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | G354 Q355 V361 N362 | G354-T358 PolarHBondContact O-N 3.22Å; G354-T358 PolarHBondContact O-OG1 2.87Å; Q355-T358 PolarHBondContact O-N 3.09Å; Q355-T358 VanDerWaalsContact O-N 3.15Å; T358-V361 PolarHBondContact O-N 3.13Å; T358-N362 VanDerWaalsContact O-CG 3.31Å; T358-N362 PolarHBondContact O-N 3.19Å; T358-N362 PolarHBondContact O-ND2 2.83Å |
| 359 | W | 89.6 | Confident | 87.5 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 172.9 | 175.9 | 94.2 | 0 | 0 | 0 | 112.2 | F263 Q355 T356 V361 N362 R363 I550 E553 C554 | F263-W359 AromaticContact CE1-CH2 3.8Å; F263-W359 HydrophobicContact CE1-CH2 3.8Å; F263-W359 AromaticContact CE1-CZ3 3.74Å; F263-W359 HydrophobicContact CE1-CZ3 3.74Å; F263-W359 HydrophobicContact CZ-CZ3 4.35Å; Q355-W359 WeakPolarHBondContact O-CB 3.37Å; Q355-W359 PolarHBondContact O-N 3.07Å; T356-W359 PolarHBondContact O-N 3.03Å; W359-V361 VanDerWaalsContact C-N 3.32Å; W359-V361 PolarHBondContact O-N 3.42Å; W359-N362 PolarHBondContact O-N 3.24Å; W359-N362 VanDerWaalsContact O-N 3.16Å; W359-R363 HydrophobicContact CD2-CG 3.85Å; W359-R363 HydrophobicContact CE3-CG 4.15Å; W359-R363 HydrophobicContact CH2-CG 3.82Å; W359-R363 HydrophobicContact CZ2-CG 3.5Å; W359-R363 HydrophobicContact CZ3-CG 4.14Å; W359-R363 WeakPolarHBondContact O-CG 3.42Å; W359-R363 PolarHBondContact O-N 3.13Å; W359-I550 HydrophobicContact CD2-CG2 3.74Å; W359-I550 HydrophobicContact CE3-CD1 4.39Å; W359-I550 HydrophobicContact CE3-CG1 4.48Å; W359-I550 HydrophobicContact CE3-CG2 3.72Å; W359-I550 HydrophobicContact CG-CG2 4.21Å; W359-I550 HydrophobicContact CH2-CD1 3.55Å; W359-I550 HydrophobicContact CH2-CG1 3.62Å; W359-I550 HydrophobicContact CH2-CG2 4.39Å; W359-I550 HydrophobicContact CZ2-CB 4.47Å; W359-I550 HydrophobicContact CZ2-CD1 4.18Å; W359-I550 HydrophobicContact CZ2-CG1 3.71Å; W359-I550 HydrophobicContact CZ2-CG2 4.39Å; W359-I550 HydrophobicContact CZ3-CD1 3.66Å; W359-I550 HydrophobicContact CZ3-CG1 4.02Å; W359-I550 HydrophobicContact CZ3-CG2 4.06Å; W359-E553 PolarHBondContact NE1-OE2 2.99Å; W359-C554 WeakPolarHBondContact CB-SG 3.26Å |
| 360 | L | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 177.1 | -175.7 | 70.6 | 0 | 0 | 0 | 111 | V147 F151 F263 L271 T356 F357 R363 I364 | V147-L360 HydrophobicContact CG1-CD1 4.14Å; V147-L360 HydrophobicContact CG1-CD2 3.75Å; V147-L360 HydrophobicContact CG1-CG 4.18Å; F151-L360 HydrophobicContact CB-CD2 4.25Å; F151-L360 HydrophobicContact CD1-CD2 4.25Å; F151-L360 HydrophobicContact CD2-CD2 3.77Å; F151-L360 HydrophobicContact CE2-CD2 4.11Å; F151-L360 HydrophobicContact CG-CD2 3.84Å; F151-L360 HydrophobicContact CZ-CD2 4.49Å; F263-L360 HydrophobicContact CE1-CD1 4.06Å; F263-L360 HydrophobicContact CZ-CD1 3.71Å; L271-L360 HydrophobicContact CD2-CD1 4.01Å; T356-L360 VanDerWaalsContact O-CB 3.32Å; T356-L360 WeakPolarHBondContact O-CB 3.36Å; T356-L360 PolarHBondContact O-N 2.8Å; F357-L360 WeakPolarHBondContact O-CB 3.34Å; F357-L360 PolarHBondContact O-N 3.45Å; L360-R363 PolarHBondContact O-N 3.47Å; L360-I364 HydrophobicContact CG-CD1 4.31Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.4Å; L360-I364 PolarHBondContact O-N 2.76Å |
| 361 | V | 89.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L148 I184 N186 F357 T358 W359 R363 I364 N365 | L148-V361 HydrophobicContact CD2-CG2 3.74Å; I184-V361 HydrophobicContact CB-CG1 4.33Å; I184-V361 HydrophobicContact CG2-CG1 4.17Å; I184-V361 VanDerWaalsContact O-CG1 3.32Å; I184-V361 WeakPolarHBondContact O-CG1 3.34Å; N186-V361 HydrophobicContact CB-CG1 4.42Å; N186-V361 HydrophobicContact CB-CG2 4.05Å; F357-V361 HydrophobicContact CE1-CG2 4.33Å; F357-V361 HydrophobicContact CZ-CG2 4.37Å; F357-V361 WeakPolarHBondContact O-CG2 3.29Å; F357-V361 PolarHBondContact O-N 2.87Å; T358-V361 PolarHBondContact O-N 3.13Å; W359-V361 VanDerWaalsContact C-N 3.32Å; W359-V361 PolarHBondContact O-N 3.42Å; V361-R363 PolarHBondContact O-N 3.48Å; V361-I364 PolarHBondContact O-N 2.95Å; V361-N365 PolarHBondContact O-N 3.42Å; V361-N365 PolarHBondContact O-ND2 3.13Å |
| 362 | N | 89 | Confident | 82.2 | Confident | 79 Ų | 79 | 44 Ų | 44 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 177 | -70.8 | -21.1 | 0 | 0 | 0 | 112.3 | T358 W359 N365 E366 | T358-N362 VanDerWaalsContact O-CG 3.31Å; T358-N362 PolarHBondContact O-N 3.19Å; T358-N362 PolarHBondContact O-ND2 2.83Å; W359-N362 PolarHBondContact O-N 3.24Å; W359-N362 VanDerWaalsContact O-N 3.16Å; N362-N365 WeakPolarHBondContact O-CB 3.29Å; N362-N365 PolarHBondContact O-N 3.29Å; N362-E366 WeakPolarHBondContact O-CG 3.41Å; N362-E366 PolarHBondContact O-N 3.09Å |
| 363 | R | 88 | Confident | 79.9 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 174.6 | -71.9 | -55.2 | -171.8 | 169.8 | 1.3 | 112.7 | F263 W359 L360 V361 N365 E366 S367 E553 | F263-R363 HydrophobicContact CE1-CB 4.49Å; F263-R363 HydrophobicContact CE2-CB 4.29Å; F263-R363 HydrophobicContact CZ-CB 3.7Å; F263-R363 HydrophobicContact CZ-CG 4.43Å; W359-R363 HydrophobicContact CD2-CG 3.85Å; W359-R363 HydrophobicContact CE3-CG 4.15Å; W359-R363 HydrophobicContact CH2-CG 3.82Å; W359-R363 HydrophobicContact CZ2-CG 3.5Å; W359-R363 HydrophobicContact CZ3-CG 4.14Å; W359-R363 WeakPolarHBondContact O-CG 3.42Å; W359-R363 PolarHBondContact O-N 3.13Å; L360-R363 PolarHBondContact O-N 3.47Å; V361-R363 PolarHBondContact O-N 3.48Å; R363-N365 VanDerWaalsContact C-N 3.29Å; R363-N365 PolarHBondContact O-N 2.91Å; R363-E366 VanDerWaalsContact CD-OE2 3.25Å; R363-E366 WeakPolarHBondContact CD-OE2 3.41Å; R363-E366 IonicContact CZ-OE2 2.93Å; R363-E366 IonicContact NE-OE2 3.63Å; R363-E366 IonicContact NH1-OE2 2.69Å; R363-E366 PolarHBondContact NH1-OE2 3.46Å; R363-E366 PolarHBondContact O-N 2.93Å; R363-S367 PolarHBondContact O-N 3.31Å; R363-E553 IonicContact CZ-OE2 2.83Å; R363-E553 IonicContact NE-OE2 3.83Å; R363-E553 IonicContact NH2-OE1 2.58Å; R363-E553 PolarHBondContact NH2-OE1 3.4Å; R363-E553 IonicContact NH2-OE2 3.18Å; R363-E553 PolarHBondContact NH2-OE2 3.18Å |
| 364 | I | 88.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 171.7 | -67.7 | 162.5 | 0 | 0 | 0 | 109.5 | V147 L148 I184 I261 L360 V361 S367 M368 | V147-I364 HydrophobicContact CG1-CD1 4.46Å; L148-I364 HydrophobicContact CD2-CD1 3.99Å; L148-I364 HydrophobicContact CG-CD1 4.31Å; I184-I364 HydrophobicContact CD1-CG2 3.99Å; I261-I364 HydrophobicContact CD1-CG1 4.45Å; I261-I364 HydrophobicContact CG2-CG1 3.99Å; L360-I364 HydrophobicContact CG-CD1 4.31Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.4Å; L360-I364 PolarHBondContact O-N 2.76Å; V361-I364 PolarHBondContact O-N 2.95Å; I364-S367 WeakPolarHBondContact O-CB 3.49Å; I364-S367 PolarHBondContact O-N 2.82Å; I364-S367 PolarHBondContact O-OG 3.46Å; I364-M368 HydrophobicContact CG2-CE 3.66Å; I364-M368 HydrophobicContact CG2-SD 4.12Å; I364-M368 WeakPolarHBondContact O-CG 3.02Å; I364-M368 PolarHBondContact O-N 2.82Å |
| 365 | N | 88.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.6 | -70.4 | -28.4 | 0 | 0 | 0 | 113 | I184 V361 N362 R363 S367 M368 E369 | I184-N365 PolarHBondContact N-OD1 2.79Å; I184-N365 PolarHBondContact O-ND2 3.5Å; V361-N365 PolarHBondContact O-N 3.42Å; V361-N365 PolarHBondContact O-ND2 3.13Å; N362-N365 WeakPolarHBondContact O-CB 3.29Å; N362-N365 PolarHBondContact O-N 3.29Å; R363-N365 VanDerWaalsContact C-N 3.29Å; R363-N365 PolarHBondContact O-N 2.91Å; N365-S367 PolarHBondContact O-N 2.95Å; N365-M368 PolarHBondContact O-N 3.34Å; N365-M368 VanDerWaalsContact O-N 3.08Å; N365-M368 WeakPolarHBondContact OD1-CE 3.34Å; N365-E369 PolarHBondContact O-N 2.86Å |
| 366 | E | 85.9 | Confident | 72 | Confident | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -34 | 175.2 | -72.1 | 172.7 | -166.8 | 0 | 0 | 112.6 | N362 R363 M368 | N362-E366 WeakPolarHBondContact O-CG 3.41Å; N362-E366 PolarHBondContact O-N 3.09Å; R363-E366 VanDerWaalsContact CD-OE2 3.25Å; R363-E366 WeakPolarHBondContact CD-OE2 3.41Å; R363-E366 IonicContact CZ-OE2 2.93Å; R363-E366 IonicContact NE-OE2 3.63Å; R363-E366 IonicContact NH1-OE2 2.69Å; R363-E366 PolarHBondContact NH1-OE2 3.46Å; R363-E366 PolarHBondContact O-N 2.93Å; E366-M368 VanDerWaalsContact C-N 3.31Å |
| 367 | S | 82.8 | Confident | 69.3 | Low | 21 Ų | 21 | 83.8 Ų | 83.8 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.6 | -24.3 | 177.1 | 82.5 | 0 | 0 | 0 | 0 | 113.4 | K140 I261 R363 I364 N365 | K140-S367 PolarHBondContact NZ-O 3.47Å; I261-S367 WeakPolarHBondContact O-CB 3.41Å; R363-S367 PolarHBondContact O-N 3.31Å; I364-S367 WeakPolarHBondContact O-CB 3.49Å; I364-S367 PolarHBondContact O-N 2.82Å; I364-S367 PolarHBondContact O-OG 3.46Å; N365-S367 PolarHBondContact O-N 2.95Å |
| 368 | M | 78.1 | Confident | 66.6 | Low | 1 Ų | 1 | 93.2 Ų | 93.2 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -94.3 | -17.5 | 179.4 | -66.8 | -177.6 | -57.5 | 0 | 0 | 112.7 | M141 I184 I364 N365 E366 N370 | M141-M368 HydrophobicContact CG-CG 4.48Å; M141-M368 HydrophobicContact CG-SD 3.54Å; M141-M368 VanDerWaalsContact CG-SD 3.54Å; I184-M368 HydrophobicContact CD1-CE 3.85Å; I184-M368 HydrophobicContact CD1-SD 4.37Å; I184-M368 HydrophobicContact CG1-CE 3.84Å; I364-M368 HydrophobicContact CG2-CE 3.66Å; I364-M368 HydrophobicContact CG2-SD 4.12Å; I364-M368 WeakPolarHBondContact O-CG 3.02Å; I364-M368 PolarHBondContact O-N 2.82Å; N365-M368 PolarHBondContact O-N 3.34Å; N365-M368 VanDerWaalsContact O-N 3.08Å; N365-M368 WeakPolarHBondContact OD1-CE 3.34Å; E366-M368 VanDerWaalsContact C-N 3.31Å; M368-N370 PolarHBondContact O-N 2.73Å |
| 369 | E | 73.5 | Confident | 64.3 | Low | 139 Ų | 139 | 96.3 Ų | 96.3 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -77.1 | 119.1 | 177.9 | -167.5 | 166.5 | -158.2 | 0 | 0 | 110.7 | N365 K371 | N365-E369 PolarHBondContact O-N 2.86Å; E369-K371 PolarHBondContact O-N 3.32Å |
| 370 | N | 60.3 | Low | 62.2 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 33% | 0.326 | 49% | 0.49 | S | S | . | . | trans | -65 | 107.6 | -178.4 | -91.8 | -15.2 | 0 | 0 | 0 | 111.5 | V180 M368 C372 | V180-N370 PolarHBondContact O-ND2 2.95Å; M368-N370 PolarHBondContact O-N 2.73Å; N370-C372 PolarHBondContact O-N 3.44Å; N370-C372 VanDerWaalsContact O-N 3.09Å | ||
| 371 | K | 50.2 | Low | 60.5 | Low | 190 Ų | 190 | 103.8 Ų | 103.8 | 83% | 0.826 | 50% | 0.504 | S | S | * | . | trans | -67.4 | 0.6 | 172.7 | -68.6 | -179.5 | -179 | 171.2 | 0 | 114.6 | E369 Q373 | E369-K371 PolarHBondContact O-N 3.32Å; K371-Q373 PolarHBondContact O-N 3.13Å | ||
| 372 | C | 42.3 | Very low | 59.1 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 73% | 0.73 | 54% | 0.541 | S | S | * | . | trans | -74 | 54.9 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | N370 | N370-C372 PolarHBondContact O-N 3.44Å; N370-C372 VanDerWaalsContact O-N 3.09Å | ||
| 373 | Q | 41.1 | Very low | 58.5 | Low | 171 Ų | 171 | 115.4 Ų | 115.4 | 80% | 0.799 | 55% | 0.545 | S | S | * | . | trans | -93.4 | -0.1 | 169.4 | -91.1 | -179.7 | -13.9 | 0 | 0 | 113.1 | K371 W375 | K371-Q373 PolarHBondContact O-N 3.13Å; Q373-W375 PolarHBondContact O-N 2.99Å | ||
| 374 | F | 36.9 | Very low | 58.4 | Low | 188 Ų | 188 | 112.4 Ų | 112.4 | 83% | 0.825 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -7.4 | -170 | -138 | -93.3 | 0 | 0 | 0 | 115.5 | ||
| 375 | W | 32.4 | Very low | 58.4 | Low | 246 Ų | 246 | 113.3 Ų | 113.3 | 93% | 0.932 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.8 | 28.3 | -176.9 | -77.2 | 94.9 | 0 | 0 | 0 | 116.3 | Q373 | Q373-W375 PolarHBondContact O-N 2.99Š|
| 376 | S | 32.2 | Very low | 58.5 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | trans | -155.9 | 87.1 | 163.4 | -167.4 | 0 | 0 | 0 | 0 | 113 | K378 | S376-K378 PolarHBondContact O-N 3.27Š| ||
| 377 | Y | 35.6 | Very low | 58.8 | Low | 238 Ų | 238 | 108.3 Ų | 108.3 | 93% | 0.933 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 15.8 | 166.8 | -169.1 | -102.3 | 0 | 0 | 0 | 112.3 | ||
| 378 | K | 35.3 | Very low | 59.1 | Low | 198 Ų | 198 | 107.3 Ų | 107.3 | 86% | 0.861 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 2.9 | -172.1 | -103.1 | -175.7 | 179.6 | -178.7 | 0 | 116.7 | S376 | S376-K378 PolarHBondContact O-N 3.27Š|
| 379 | D | 40.7 | Very low | 59.7 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | trans | -139.8 | 81.2 | 174.8 | -142.7 | 2.8 | 0 | 0 | 0 | 110.4 | S381 | D379-S381 PolarHBondContact O-N 3.06Š| ||
| 380 | S | 45.4 | Very low | 60.2 | Low | 133 Ų | 133 | 101 Ų | 101 | 93% | 0.93 | 48% | 0.479 | S | S | * | . | trans | -70.6 | 58 | 152.8 | -72.5 | 0 | 0 | 0 | 0 | 108.3 | R382 | S380-R382 PolarHBondContact O-N 2.95Š| ||
| 381 | S | 53.3 | Low | 61 | Low | 42 Ų | 42 | 98.3 Ų | 98.3 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | trans | -55.2 | 136.2 | 180 | 58.1 | 0 | 0 | 0 | 0 | 108.3 | D379 K383 | D379-S381 PolarHBondContact O-N 3.06Å; S381-K383 PolarHBondContact O-N 2.89Å | ||
| 382 | R | 61.6 | Low | 62.1 | Low | 208 Ų | 208 | 89.8 Ų | 89.8 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | trans | -52.1 | 94.4 | -176 | -73 | 177.6 | 164 | 127.8 | -5 | 110.6 | S380 | S380-R382 PolarHBondContact O-N 2.95Š| ||
| 383 | K | 75.4 | Confident | 63.4 | Low | 116 Ų | 116 | 84.7 Ų | 84.7 | 50% | 0.504 | 39% | 0.394 | S | S | . | . | trans | -72.5 | 128 | 169.6 | -65.2 | -176.7 | 177.4 | -175.6 | 0 | 107.9 | F173 V180 S381 | F173-K383 VanDerWaalsContact O-CA 3.31Å; F173-K383 WeakPolarHBondContact O-CA 3.45Å; V180-K383 HydrophobicContact CG2-CD 4.48Å; S381-K383 PolarHBondContact O-N 2.89Å | ||
| 384 | T | 85.9 | Confident | 65.2 | Low | 5 Ų | 5 | 77.3 Ų | 77.3 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 155.4 | 169.9 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | M94 F98 N100 F173 | M94-T384 HydrophobicContact CG-CG2 4.22Å; M94-T384 PolarHBondContact SD-OG1 2.92Å; F98-T384 HydrophobicContact CB-CG2 4.45Å; N100-T384 WeakPolarHBondContact OD1-CA 3.26Å; F173-T384 PolarHBondContact N-O 3.46Å; F173-T384 PolarHBondContact O-N 2.95Å |
| 385 | V | 89.2 | Confident | 67.1 | Low | 20 Ų | 20 | 68.7 Ų | 68.7 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.9 | -174 | -180 | 0 | 0 | 0 | 0 | 110.6 | N100 H101 D170 I171 Q172 | N100-V385 WeakPolarHBondContact CA-O 3.27Å; N100-V385 PolarHBondContact OD1-N 3.5Å; H101-V385 PolarHBondContact N-O 3.31Å; D170-V385 HydrophobicContact CB-CG1 3.57Å; D170-V385 VanDerWaalsContact OD1-CG1 3.25Å; D170-V385 WeakPolarHBondContact OD1-CG1 2.95Å; I171-V385 WeakPolarHBondContact O-CA 3.16Å; Q172-V385 HydrophobicContact CG-CG2 4.26Å |
| 386 | I | 91.2 | Very high | 69.2 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.7 | 163 | -53.9 | 179 | 0 | 0 | 0 | 108.1 | Y91 M94 H101 I103 Y124 I171 F173 | Y91-I386 HydrophobicContact CD2-CD1 4.36Å; M94-I386 HydrophobicContact CE-CD1 4.41Å; M94-I386 HydrophobicContact CG-CG1 4.45Å; M94-I386 HydrophobicContact SD-CD1 3.74Å; M94-I386 HydrophobicContact SD-CG1 3.45Å; M94-I386 WeakPolarHBondContact SD-CG1 3.2Å; H101-I386 CarbonylContact O-C 3.53Å; H101-I386 WeakPolarHBondContact O-CA 3.44Å; I103-I386 HydrophobicContact CD1-CG2 4.32Å; I103-I386 HydrophobicContact CG1-CG2 4.45Å; Y124-I386 HydrophobicContact CE1-CD1 4.37Å; Y124-I386 HydrophobicContact CE2-CD1 4.5Å; Y124-I386 HydrophobicContact CE2-CG2 4.23Å; I171-I386 PolarHBondContact N-O 2.93Å; I171-I386 PolarHBondContact O-N 3.29Å; F173-I386 HydrophobicContact CD2-CD1 4.4Å; F173-I386 HydrophobicContact CD2-CG1 4.14Å; F173-I386 HydrophobicContact CE2-CB 3.85Å; F173-I386 HydrophobicContact CE2-CD1 3.7Å; F173-I386 HydrophobicContact CE2-CG1 3.61Å; F173-I386 HydrophobicContact CZ-CD1 4.1Å; F173-I386 HydrophobicContact CZ-CG1 4.47Å |
| 387 | G | 90.7 | Very high | 71.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H101 F102 I103 M169 D170 | H101-G387 PolarHBondContact O-N 2.96Å; F102-G387 CarbonylContact C-O 3.57Å; F102-G387 WeakPolarHBondContact CA-O 3.25Å; F102-G387 WeakPolarHBondContact CB-O 3.47Å; I103-G387 PolarHBondContact N-O 2.86Å; M169-G387 CarbonylContact O-C 3.59Å; M169-G387 WeakPolarHBondContact O-CA 3.15Å; D170-G387 VanDerWaalsContact OD1-CA 3.29Å; D170-G387 WeakPolarHBondContact OD1-CA 3.28Å |
| 388 | L | 90.8 | Very high | 73.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.7 | 171.4 | -59.9 | -179.9 | 0 | 0 | 0 | 109 | I103 I120 L121 Y168 M169 I171 | I103-L388 HydrophobicContact CB-CD2 3.82Å; I103-L388 HydrophobicContact CD1-CD2 3.75Å; I103-L388 HydrophobicContact CG1-CD2 4.11Å; I120-L388 HydrophobicContact CG2-CD1 4.19Å; I120-L388 HydrophobicContact CG2-CD2 3.82Å; L121-L388 HydrophobicContact CD2-CD1 3.62Å; L121-L388 HydrophobicContact CG-CD1 3.71Å; Y168-L388 CarbonylContact C-O 3.53Å; Y168-L388 WeakPolarHBondContact CA-O 3.24Å; M169-L388 HydrophobicContact CB-CB 4.44Å; M169-L388 HydrophobicContact CE-CB 4.23Å; M169-L388 HydrophobicContact CE-CD1 4.13Å; M169-L388 PolarHBondContact N-O 2.95Å; M169-L388 PolarHBondContact O-N 3.28Å; I171-L388 HydrophobicContact CD1-CD1 4.1Å; I171-L388 HydrophobicContact CD1-CG 4.44Å |
| 389 | L | 89.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 106.7 | 177.4 | -173.8 | 56 | 0 | 0 | 0 | 110.1 | I103 L104 I105 Y168 I391 L414 L580 L584 | I103-L389 PolarHBondContact O-N 3.09Å; L104-L389 HydrophobicContact CD1-CB 4.19Å; L104-L389 HydrophobicContact CD1-CD2 3.74Å; L104-L389 HydrophobicContact CD1-CG 3.95Å; I105-L389 PolarHBondContact N-O 3.32Å; Y168-L389 HydrophobicContact CD2-CB 3.79Å; Y168-L389 HydrophobicContact CD2-CD1 3.8Å; Y168-L389 HydrophobicContact CD2-CG 4.3Å; Y168-L389 HydrophobicContact CE2-CB 4.21Å; Y168-L389 HydrophobicContact CG-CD1 4.33Å; L389-I391 HydrophobicContact CD1-CG2 3.56Å; L389-I391 HydrophobicContact CD2-CG2 4.42Å; L389-I391 HydrophobicContact CG-CG2 3.83Å; L389-L414 HydrophobicContact CD2-CD2 4.14Å; L389-L580 HydrophobicContact CD1-CD1 4.48Å; L389-L580 HydrophobicContact CD1-CD2 4.38Å; L389-L580 HydrophobicContact CD2-CD2 4.44Å; L389-L584 HydrophobicContact CD2-CD1 3.71Å; L389-L584 HydrophobicContact CD2-CD2 4.29Å |
| 390 | D | 84.5 | Confident | 77.2 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 101.7 | 171.6 | -171.7 | 7.9 | 0 | 0 | 0 | 108.6 | K113 T114 K167 | K113-D390 WeakPolarHBondContact CB-OD1 3.47Å; T114-D390 WeakPolarHBondContact CA-OD2 3.38Å; T114-D390 PolarHBondContact OG1-OD2 3.41Å; K167-D390 PolarHBondContact N-O 3.5Å; K167-D390 PolarHBondContact O-N 3.3Å |
| 391 | I | 76.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | trans | -111 | 152.6 | 179.6 | 51.4 | 134.3 | 0 | 0 | 0 | 110.8 | L104 K113 L389 L414 | L104-I391 HydrophobicContact CD1-CG1 4.31Å; K113-I391 WeakPolarHBondContact CD-O 3.38Å; K113-I391 WeakPolarHBondContact CE-O 3.41Å; L389-I391 HydrophobicContact CD1-CG2 3.56Å; L389-I391 HydrophobicContact CD2-CG2 4.42Å; L389-I391 HydrophobicContact CG-CG2 3.83Å; I391-L414 HydrophobicContact CB-CD1 4.46Å; I391-L414 HydrophobicContact CD1-CD1 3.28Å; I391-L414 HydrophobicContact CG1-CD1 3.98Å; I391-L414 HydrophobicContact CG2-CD1 4.14Å | ||
| 392 | Y | 73.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -57 | 147.3 | 171.2 | 43.5 | -108.6 | 0 | 0 | 0 | 110.9 | L188 I407 C410 N411 | L188-Y392 HydrophobicContact CB-CE1 4.13Å; L188-Y392 HydrophobicContact CD1-CE1 4.28Å; L188-Y392 WeakPolarHBondContact CD1-OH 3.35Å; Y392-I407 HydrophobicContact CD1-CG1 4.34Å; Y392-I407 HydrophobicContact CD2-CB 3.86Å; Y392-I407 HydrophobicContact CD2-CG1 3.68Å; Y392-I407 HydrophobicContact CD2-CG2 3.43Å; Y392-I407 VanDerWaalsContact CD2-CG2 3.43Å; Y392-I407 HydrophobicContact CE1-CG1 4.28Å; Y392-I407 VanDerWaalsContact CE2-CA 3.44Å; Y392-I407 HydrophobicContact CE2-CB 3.77Å; Y392-I407 HydrophobicContact CE2-CG1 3.66Å; Y392-I407 HydrophobicContact CE2-CG2 3.79Å; Y392-I407 HydrophobicContact CG-CG1 4.03Å; Y392-I407 HydrophobicContact CG-CG2 4.29Å; Y392-C410 HydrophobicContact CE2-CB 3.85Å; Y392-C410 WeakPolarHBondContact OH-CB 3.41Å; Y392-N411 PolarHBondContact O-ND2 2.66Å; Y392-N411 VanDerWaalsContact O-ND2 3.14Å |
| 393 | G | 71.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G107 E395 I407 | G107-G393 WeakPolarHBondContact O-CA 3.42Å; G393-E395 PolarHBondContact O-N 2.75Å; G393-I407 VanDerWaalsContact O-CG2 3.23Å; G393-I407 WeakPolarHBondContact O-CG2 3.49Å |
| 394 | F | 77 | Confident | 81.7 | Confident | 16 Ų | 16 | 26.4 Ų | 26.4 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 132.7 | 165.9 | -164.8 | -90 | 0 | 0 | 0 | 109.7 | V396 N408 N411 H515 Y516 A517 V520 | F394-V396 HydrophobicContact CD1-CG2 3.84Å; F394-V396 HydrophobicContact CE1-CG2 3.49Å; F394-V396 VanDerWaalsContact CE1-CG2 3.49Å; F394-N408 HydrophobicContact CD2-CB 4.08Å; F394-N408 WeakPolarHBondContact CD2-OD1 3.15Å; F394-N408 HydrophobicContact CE2-CB 3.65Å; F394-N408 HydrophobicContact CZ-CB 4.14Å; F394-N411 HydrophobicContact CD2-CB 4.14Å; F394-H515 HydrophobicContact CE2-CB 3.89Å; F394-H515 AromaticContact CE2-CG 3.94Å; F394-H515 HydrophobicContact CZ-CB 3.66Å; F394-H515 AromaticContact CZ-CG 3.79Å; F394-Y516 HydrophobicContact CD2-CE1 4.04Å; F394-Y516 HydrophobicContact CE2-CE1 4.2Å; F394-A517 HydrophobicContact CD1-CB 3.71Å; F394-A517 HydrophobicContact CD2-CB 3.95Å; F394-A517 HydrophobicContact CE1-CB 3.58Å; F394-A517 HydrophobicContact CE2-CB 3.82Å; F394-A517 HydrophobicContact CG-CB 3.9Å; F394-A517 HydrophobicContact CZ-CB 3.65Å; F394-V520 HydrophobicContact CE1-CG2 3.71Å; F394-V520 HydrophobicContact CZ-CG2 3.66Å |
| 395 | E | 77.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | trans | -119.4 | 127.8 | -175.5 | -66.6 | -164.9 | 153.6 | 0 | 0 | 111.6 | R164 G393 F397 Q404 I407 N408 | R164-E395 IonicContact CZ-OE1 2.61Å; R164-E395 IonicContact CZ-OE2 2.95Å; R164-E395 VanDerWaalsContact NH1-CD 3.33Å; R164-E395 IonicContact NH1-OE1 3.43Å; R164-E395 PolarHBondContact NH1-OE1 3Å; R164-E395 IonicContact NH1-OE2 2.79Å; R164-E395 PolarHBondContact NH1-OE2 3.47Å; R164-E395 IonicContact NH2-OE1 2.82Å; R164-E395 IonicContact NH2-OE2 2.66Å; R164-E395 PolarHBondContact NH2-OE2 2.93Å; R164-E395 VanDerWaalsContact NH2-OE2 3.16Å; G393-E395 PolarHBondContact O-N 2.75Å; E395-F397 HydrophobicContact CB-CZ 4.34Å; E395-F397 HydrophobicContact CG-CZ 4.35Å; E395-Q404 HydrophobicContact CB-CG 4.15Å; E395-I407 HydrophobicContact CB-CG2 4.33Å; E395-I407 HydrophobicContact CG-CG2 4.08Å; E395-I407 WeakPolarHBondContact OE2-CD1 3.33Å; E395-N408 PolarHBondContact N-OD1 2.74Å; E395-N408 PolarHBondContact O-ND2 3.29Å; E395-N408 PolarHBondContact O-OD1 3.15Å | ||
| 396 | V | 77.2 | Confident | 81.6 | Confident | 55 Ų | 55 | 26 Ų | 26 | 33% | 0.333 | 13% | 0.127 | S | C | . | . | trans | -129.4 | 113 | 169.9 | -170.1 | 0 | 0 | 0 | 0 | 108.1 | K158 F394 V520 | K158-V396 PolarHBondContact NZ-O 3.42Å; F394-V396 HydrophobicContact CD1-CG2 3.84Å; F394-V396 HydrophobicContact CE1-CG2 3.49Å; F394-V396 VanDerWaalsContact CE1-CG2 3.49Å; V396-V520 HydrophobicContact CG2-CG2 3.86Å | ||
| 397 | F | 77 | Confident | 81.3 | Confident | 29 Ų | 29 | 26.6 Ų | 26.6 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | trans | -113.3 | 171.6 | 175 | -60.9 | -28.8 | 0 | 0 | 0 | 110.8 | K158 E395 V399 N400 Q404 | K158-F397 HydrophobicContact CD-CE1 4.12Å; K158-F397 HydrophobicContact CG-CE1 4.38Å; E395-F397 HydrophobicContact CB-CZ 4.34Å; E395-F397 HydrophobicContact CG-CZ 4.35Å; F397-V399 VanDerWaalsContact C-N 3.3Å; F397-N400 PolarHBondContact N-OD1 3.07Å; F397-N400 PolarHBondContact O-ND2 2.92Å; F397-Q404 HydrophobicContact CD2-CG 3.98Å; F397-Q404 HydrophobicContact CE2-CG 4.24Å | ||
| 398 | Y | 74 | Confident | 81.1 | Confident | 235 Ų | 235 | 26.6 Ų | 26.6 | 92% | 0.922 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -60.7 | -40.8 | 173.8 | -66.3 | -71.9 | 0 | 0 | 0 | 111.7 | ||
| 399 | V | 76.3 | Confident | 80.9 | Confident | 98 Ų | 98 | 26.8 Ų | 26.8 | 59% | 0.594 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -123.6 | 113 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 108 | F397 C523 | F397-V399 VanDerWaalsContact C-N 3.3Å; V399-C523 HydrophobicContact CG1-CB 4.12Å |
| 400 | N | 83.8 | Confident | 80.8 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -99.7 | 127.3 | 177.2 | -53.7 | -78 | 0 | 0 | 0 | 109.2 | F397 Q404 V520 T521 Y522 C523 | F397-N400 PolarHBondContact N-OD1 3.07Å; F397-N400 PolarHBondContact O-ND2 2.92Å; N400-Q404 HydrophobicContact CB-CB 3.91Å; N400-Q404 HydrophobicContact CB-CG 4.2Å; N400-V520 HydrophobicContact CB-CG1 4.18Å; N400-T521 VanDerWaalsContact CB-O 3.32Å; N400-T521 WeakPolarHBondContact CB-O 3.4Å; N400-T521 PolarHBondContact ND2-O 3.24Å; N400-Y522 HydrophobicContact CB-CD1 3.64Å; N400-Y522 HydrophobicContact CB-CE1 4Å; N400-Y522 HydrophobicContact CB-CG 4.47Å; N400-Y522 CarbonylContact O-C 3.59Å; N400-Y522 WeakPolarHBondContact O-CA 3.47Å; N400-C523 PolarHBondContact O-N 3.42Å |
| 401 | S | 84.4 | Confident | 80.7 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | trans | -107.3 | -160.2 | -178.6 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | E403 F405 K530 | S401-E403 VanDerWaalsContact C-N 3.27Å; S401-E403 WeakPolarHBondContact CB-OE2 3.31Å; S401-E403 PolarHBondContact O-N 2.88Å; S401-E403 PolarHBondContact OG-OE2 2.89Å; S401-F405 PolarHBondContact O-N 2.96Å; S401-K530 PolarHBondContact OG-NZ 2.98Å | ||
| 402 | F | 82.6 | Confident | 81.2 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | 177.8 | 179.1 | -105 | 0 | 0 | 0 | 112.5 | F405 C406 L463 K527 K530 N531 V569 A570 | F402-F405 WeakPolarHBondContact O-CB 3.41Å; F402-F405 PolarHBondContact O-N 2.94Å; F402-C406 PolarHBondContact O-N 2.92Å; F402-L463 HydrophobicContact CD2-CD2 4.27Å; F402-L463 HydrophobicContact CE2-CD2 3.74Å; F402-K527 HydrophobicContact CB-CG 4.29Å; F402-K530 HydrophobicContact CB-CB 4.17Å; F402-K530 HydrophobicContact CB-CD 3.75Å; F402-K530 HydrophobicContact CD1-CB 4.01Å; F402-K530 HydrophobicContact CG-CB 4.14Å; F402-N531 HydrophobicContact CE2-CB 4.35Å; F402-N531 HydrophobicContact CZ-CB 4.45Å; F402-V569 HydrophobicContact CE1-CB 4.29Å; F402-V569 HydrophobicContact CE1-CG1 3.88Å; F402-V569 HydrophobicContact CZ-CB 4.31Å; F402-V569 HydrophobicContact CZ-CG1 4.22Å; F402-A570 HydrophobicContact CE2-CB 4.16Å; F402-A570 HydrophobicContact CZ-CB 4.02Å |
| 403 | E | 79.1 | Confident | 81.8 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | -177.3 | -62.7 | 79.5 | 179.7 | 0 | 0 | 111.3 | E190 S192 S401 F405 C406 I407 K530 | E190-E403 HydrophobicContact CG-CB 4.48Å; E190-E403 HydrophobicContact CG-CG 3.93Å; S192-E403 WeakPolarHBondContact CB-OE1 3.18Å; S192-E403 WeakPolarHBondContact OG-CG 3.34Å; S192-E403 PolarHBondContact OG-OE1 3Å; S401-E403 VanDerWaalsContact C-N 3.27Å; S401-E403 WeakPolarHBondContact CB-OE2 3.31Å; S401-E403 PolarHBondContact O-N 2.88Å; S401-E403 PolarHBondContact OG-OE2 2.89Å; E403-F405 VanDerWaalsContact C-N 3.26Å; E403-F405 PolarHBondContact O-N 3.42Å; E403-C406 PolarHBondContact O-N 3.07Å; E403-I407 WeakPolarHBondContact O-CB 2.92Å; E403-I407 WeakPolarHBondContact O-CG1 3.25Å; E403-I407 PolarHBondContact O-N 3.02Å; E403-K530 VanDerWaalsContact CD-NZ 3.27Å; E403-K530 WeakPolarHBondContact OE1-CD 3.45Å; E403-K530 WeakPolarHBondContact OE1-CE 3.18Å; E403-K530 IonicContact OE1-NZ 2.69Å; E403-K530 PolarHBondContact OE1-NZ 3.39Å; E403-K530 IonicContact OE2-NZ 3.28Å; E403-K530 PolarHBondContact OE2-NZ 3.47Å |
| 404 | Q | 84.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 175.5 | -73.9 | 68.6 | 47.4 | 0 | 0 | 111.2 | E395 F397 N400 I407 N408 Y522 | E395-Q404 HydrophobicContact CB-CG 4.15Å; F397-Q404 HydrophobicContact CD2-CG 3.98Å; F397-Q404 HydrophobicContact CE2-CG 4.24Å; N400-Q404 HydrophobicContact CB-CB 3.91Å; N400-Q404 HydrophobicContact CB-CG 4.2Å; Q404-I407 PolarHBondContact O-N 2.97Å; Q404-N408 VanDerWaalsContact O-CB 3.27Å; Q404-N408 WeakPolarHBondContact O-CB 3.29Å; Q404-N408 PolarHBondContact O-N 3.48Å; Q404-N408 PolarHBondContact O-ND2 2.89Å; Q404-Y522 HydrophobicContact CB-CE1 4.16Å |
| 405 | F | 88.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.7 | 172.1 | -98.9 | 0 | 0 | 0 | 111.5 | S401 F402 E403 Y409 V452 I459 I460 F511 L513 Y522 | S401-F405 PolarHBondContact O-N 2.96Å; F402-F405 WeakPolarHBondContact O-CB 3.41Å; F402-F405 PolarHBondContact O-N 2.94Å; E403-F405 VanDerWaalsContact C-N 3.26Å; E403-F405 PolarHBondContact O-N 3.42Å; F405-Y409 WeakPolarHBondContact O-CB 3.17Å; F405-Y409 PolarHBondContact O-N 2.93Å; F405-V452 HydrophobicContact CE1-CG1 4.34Å; F405-V452 HydrophobicContact CE2-CG1 4.42Å; F405-V452 HydrophobicContact CE2-CG2 4.28Å; F405-V452 HydrophobicContact CZ-CG1 3.7Å; F405-V452 HydrophobicContact CZ-CG2 4.32Å; F405-I459 HydrophobicContact CE1-CG2 4.41Å; F405-I459 HydrophobicContact CE2-CD1 4.16Å; F405-I459 HydrophobicContact CE2-CG2 4.14Å; F405-I459 HydrophobicContact CZ-CB 4.09Å; F405-I459 HydrophobicContact CZ-CD1 4.43Å; F405-I459 HydrophobicContact CZ-CG2 3.64Å; F405-I460 HydrophobicContact CE1-CG1 4.35Å; F405-F511 HydrophobicContact CD2-CZ 4.38Å; F405-L513 HydrophobicContact CD2-CD1 4.17Å; F405-L513 HydrophobicContact CE2-CD1 3.86Å; F405-Y522 VanDerWaalsContact CA-CE1 3.49Å; F405-Y522 HydrophobicContact CB-CD1 3.9Å; F405-Y522 HydrophobicContact CB-CE1 3.77Å; F405-Y522 HydrophobicContact CD2-CE2 4.37Å |
| 406 | C | 85.3 | Confident | 83 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.3 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | F402 E403 N408 Y409 C410 F573 | F402-C406 PolarHBondContact O-N 2.92Å; E403-C406 PolarHBondContact O-N 3.07Å; C406-N408 VanDerWaalsContact C-N 3.34Å; C406-N408 PolarHBondContact O-N 2.88Å; C406-Y409 PolarHBondContact O-N 3.3Å; C406-C410 PolarHBondContact O-N 2.86Å; C406-F573 VanDerWaalsContact CA-CE1 3.45Å; C406-F573 HydrophobicContact CB-CD1 3.89Å; C406-F573 HydrophobicContact CB-CE1 3.45Å; C406-F573 VanDerWaalsContact CB-CE1 3.45Å; C406-F573 HydrophobicContact CB-CZ 3.93Å; C406-F573 WeakPolarHBondContact O-CE1 3.3Å; C406-F573 WeakPolarHBondContact O-CZ 3.48Å |
| 407 | I | 83.4 | Confident | 83.3 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.062 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 180 | -75.8 | 167.4 | 0 | 0 | 0 | 111.9 | Y392 G393 E395 E403 Q404 C410 N411 | Y392-I407 HydrophobicContact CD1-CG1 4.34Å; Y392-I407 HydrophobicContact CD2-CB 3.86Å; Y392-I407 HydrophobicContact CD2-CG1 3.68Å; Y392-I407 HydrophobicContact CD2-CG2 3.43Å; Y392-I407 VanDerWaalsContact CD2-CG2 3.43Å; Y392-I407 HydrophobicContact CE1-CG1 4.28Å; Y392-I407 VanDerWaalsContact CE2-CA 3.44Å; Y392-I407 HydrophobicContact CE2-CB 3.77Å; Y392-I407 HydrophobicContact CE2-CG1 3.66Å; Y392-I407 HydrophobicContact CE2-CG2 3.79Å; Y392-I407 HydrophobicContact CG-CG1 4.03Å; Y392-I407 HydrophobicContact CG-CG2 4.29Å; G393-I407 VanDerWaalsContact O-CG2 3.23Å; G393-I407 WeakPolarHBondContact O-CG2 3.49Å; E395-I407 HydrophobicContact CB-CG2 4.33Å; E395-I407 HydrophobicContact CG-CG2 4.08Å; E395-I407 WeakPolarHBondContact OE2-CD1 3.33Å; E403-I407 WeakPolarHBondContact O-CB 2.92Å; E403-I407 WeakPolarHBondContact O-CG1 3.25Å; E403-I407 PolarHBondContact O-N 3.02Å; Q404-I407 PolarHBondContact O-N 2.97Å; I407-C410 WeakPolarHBondContact O-CB 3.49Å; I407-C410 PolarHBondContact O-N 2.84Å; I407-N411 PolarHBondContact O-N 3.29Å; I407-N411 VanDerWaalsContact O-N 3.15Å; I407-N411 PolarHBondContact O-ND2 2.97Å |
| 408 | N | 86.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72 | -36.9 | -178.1 | -69.1 | -17.6 | 0 | 0 | 0 | 111.6 | F394 E395 Q404 C406 N411 E412 Y522 | F394-N408 HydrophobicContact CD2-CB 4.08Å; F394-N408 WeakPolarHBondContact CD2-OD1 3.15Å; F394-N408 HydrophobicContact CE2-CB 3.65Å; F394-N408 HydrophobicContact CZ-CB 4.14Å; E395-N408 PolarHBondContact N-OD1 2.74Å; E395-N408 PolarHBondContact O-ND2 3.29Å; E395-N408 PolarHBondContact O-OD1 3.15Å; Q404-N408 VanDerWaalsContact O-CB 3.27Å; Q404-N408 WeakPolarHBondContact O-CB 3.29Å; Q404-N408 PolarHBondContact O-N 3.48Å; Q404-N408 PolarHBondContact O-ND2 2.89Å; C406-N408 VanDerWaalsContact C-N 3.34Å; C406-N408 PolarHBondContact O-N 2.88Å; N408-N411 PolarHBondContact O-N 3.2Å; N408-E412 PolarHBondContact O-N 3.44Å; N408-Y522 WeakPolarHBondContact CB-OH 3.44Å; N408-Y522 PolarHBondContact ND2-OH 3.03Å |
| 409 | Y | 87.9 | Confident | 83.6 | Confident | 5 Ų | 5 | 15 Ų | 15 | 2% | 0.02 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.1 | 170.1 | -108.8 | 0 | 0 | 0 | 112.8 | F405 C406 N411 E412 K413 V452 E453 I460 F573 L577 | F405-Y409 WeakPolarHBondContact O-CB 3.17Å; F405-Y409 PolarHBondContact O-N 2.93Å; C406-Y409 PolarHBondContact O-N 3.3Å; Y409-N411 VanDerWaalsContact C-N 3.33Å; Y409-N411 PolarHBondContact O-N 2.9Å; Y409-E412 WeakPolarHBondContact O-CB 3.43Å; Y409-E412 PolarHBondContact O-N 3.48Å; Y409-K413 HydrophobicContact CD2-CG 4.24Å; Y409-K413 HydrophobicContact CE1-CG 4.27Å; Y409-K413 HydrophobicContact CE2-CD 4.33Å; Y409-K413 HydrophobicContact CE2-CG 3.72Å; Y409-K413 PolarHBondContact O-N 3.27Å; Y409-K413 WeakPolarHBondContact OH-CE 3.49Å; Y409-V452 HydrophobicContact CD1-CG1 4.47Å; Y409-V452 HydrophobicContact CD2-CB 3.59Å; Y409-V452 HydrophobicContact CD2-CG1 3.29Å; Y409-V452 HydrophobicContact CD2-CG2 4.08Å; Y409-V452 HydrophobicContact CE2-CB 3.78Å; Y409-V452 HydrophobicContact CE2-CG1 3.59Å; Y409-V452 HydrophobicContact CG-CG1 3.77Å; Y409-E453 HydrophobicContact CE2-CB 4.14Å; Y409-E453 VanDerWaalsContact OH-CB 3.29Å; Y409-E453 WeakPolarHBondContact OH-CB 3.32Å; Y409-E453 PolarHBondContact OH-OE2 2.82Å; Y409-I460 HydrophobicContact CE1-CD1 4.39Å; Y409-F573 HydrophobicContact CD1-CD1 4.29Å; Y409-F573 AromaticContact CD1-CE1 3.4Å; Y409-F573 HydrophobicContact CD1-CE1 3.4Å; Y409-F573 VanDerWaalsContact CD1-CE1 3.4Å; Y409-F573 AromaticContact CD1-CZ 3.69Å; Y409-F573 HydrophobicContact CD1-CZ 3.69Å; Y409-F573 HydrophobicContact CE1-CE1 4.11Å; Y409-F573 HydrophobicContact CE1-CZ 4.4Å; Y409-F573 HydrophobicContact CG-CE1 4.37Å; Y409-L577 HydrophobicContact CD1-CD1 3.62Å; Y409-L577 HydrophobicContact CE1-CD1 3.45Å; Y409-L577 VanDerWaalsContact CE1-CD1 3.45Å |
| 410 | C | 85.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 173.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | Y392 C406 I407 K413 L414 F573 L577 | Y392-C410 HydrophobicContact CE2-CB 3.85Å; Y392-C410 WeakPolarHBondContact OH-CB 3.41Å; C406-C410 PolarHBondContact O-N 2.86Å; I407-C410 WeakPolarHBondContact O-CB 3.49Å; I407-C410 PolarHBondContact O-N 2.84Å; C410-K413 PolarHBondContact O-N 3.39Å; C410-L414 WeakPolarHBondContact O-CG 3.38Å; C410-L414 PolarHBondContact O-N 3Å; C410-F573 HydrophobicContact CB-CE2 4.19Å; C410-F573 HydrophobicContact CB-CZ 3.91Å; C410-L577 HydrophobicContact CB-CD1 4.04Å; C410-L577 HydrophobicContact CB-CD2 4.05Å; C410-L577 VanDerWaalsContact SG-CD2 3.54Å |
| 411 | N | 83.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 16.1 Ų | 16.1 | 6% | 0.059 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.7 | -84.2 | -86 | 0 | 0 | 0 | 112.2 | Y392 F394 I407 N408 Y409 K413 L414 Q415 | Y392-N411 PolarHBondContact O-ND2 2.66Å; Y392-N411 VanDerWaalsContact O-ND2 3.14Å; F394-N411 HydrophobicContact CD2-CB 4.14Å; I407-N411 PolarHBondContact O-N 3.29Å; I407-N411 VanDerWaalsContact O-N 3.15Å; I407-N411 PolarHBondContact O-ND2 2.97Å; N408-N411 PolarHBondContact O-N 3.2Å; Y409-N411 VanDerWaalsContact C-N 3.33Å; Y409-N411 PolarHBondContact O-N 2.9Å; N411-K413 VanDerWaalsContact C-N 3.32Å; N411-K413 PolarHBondContact O-N 2.86Å; N411-L414 PolarHBondContact O-N 2.81Å; N411-Q415 WeakPolarHBondContact O-CB 3.34Å; N411-Q415 PolarHBondContact O-N 2.67Å |
| 412 | E | 86.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.8 | -157.9 | 78.9 | -133.5 | 0 | 0 | 111.1 | N408 Y409 Q415 Q416 N445 I448 H515 Y516 | N408-E412 PolarHBondContact O-N 3.44Å; Y409-E412 WeakPolarHBondContact O-CB 3.43Å; Y409-E412 PolarHBondContact O-N 3.48Å; E412-Q415 PolarHBondContact O-N 2.79Å; E412-Q416 PolarHBondContact O-N 3.43Å; E412-N445 PolarHBondContact O-ND2 2.93Å; E412-N445 VanDerWaalsContact O-ND2 3.14Å; E412-N445 WeakPolarHBondContact OE1-CB 3.41Å; E412-I448 HydrophobicContact CG-CB 4.13Å; E412-I448 HydrophobicContact CG-CG2 3.9Å; E412-I448 WeakPolarHBondContact OE1-CD1 3.23Å; E412-H515 WeakPolarHBondContact OE2-CB 3.4Å; E412-H515 IonicContact OE2-CG 3.57Å; E412-H515 IonicContact OE2-ND1 3Å; E412-H515 PolarHBondContact OE2-ND1 3.31Å; E412-Y516 VanDerWaalsContact CD-CD1 3.45Å; E412-Y516 WeakPolarHBondContact OE1-CB 3.36Å; E412-Y516 VanDerWaalsContact OE1-CD1 3.23Å; E412-Y516 WeakPolarHBondContact OE1-CD1 3.32Å; E412-Y516 PolarHBondContact OE1-N 3.09Å; E412-Y516 WeakPolarHBondContact OE2-CD1 3.45Å |
| 413 | K | 87.1 | Confident | 83 | Confident | 20 Ų | 20 | 15.7 Ų | 15.7 | 9% | 0.087 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.6 | -80.7 | -74.4 | 167.7 | -167.5 | 0 | 113.3 | Y409 C410 N411 Q415 Q416 L417 C449 E453 | Y409-K413 HydrophobicContact CD2-CG 4.24Å; Y409-K413 HydrophobicContact CE1-CG 4.27Å; Y409-K413 HydrophobicContact CE2-CD 4.33Å; Y409-K413 HydrophobicContact CE2-CG 3.72Å; Y409-K413 PolarHBondContact O-N 3.27Å; Y409-K413 WeakPolarHBondContact OH-CE 3.49Å; C410-K413 PolarHBondContact O-N 3.39Å; N411-K413 VanDerWaalsContact C-N 3.32Å; N411-K413 PolarHBondContact O-N 2.86Å; K413-Q415 VanDerWaalsContact C-N 3.32Å; K413-Q415 PolarHBondContact O-N 3.42Å; K413-Q416 WeakPolarHBondContact O-CB 3.43Å; K413-Q416 PolarHBondContact O-N 3.17Å; K413-L417 PolarHBondContact O-N 3.07Å; K413-C449 HydrophobicContact CD-CB 4.32Å; K413-C449 VanDerWaalsContact CE-CB 3.48Å; K413-C449 VanDerWaalsContact CE-SG 3.52Å; K413-E453 WeakPolarHBondContact CE-OE1 3.4Å; K413-E453 WeakPolarHBondContact CE-OE2 3.47Å; K413-E453 IonicContact NZ-OE1 3.75Å; K413-E453 PolarHBondContact NZ-OE1 2.63Å; K413-E453 IonicContact NZ-OE2 3.99Å; K413-E453 PolarHBondContact NZ-OE2 3Å |
| 414 | L | 84.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 177 | -72.1 | 169.3 | 0 | 0 | 0 | 111.7 | L389 I391 C410 N411 Q416 L417 F418 L584 | L389-L414 HydrophobicContact CD2-CD2 4.14Å; I391-L414 HydrophobicContact CB-CD1 4.46Å; I391-L414 HydrophobicContact CD1-CD1 3.28Å; I391-L414 HydrophobicContact CG1-CD1 3.98Å; I391-L414 HydrophobicContact CG2-CD1 4.14Å; C410-L414 WeakPolarHBondContact O-CG 3.38Å; C410-L414 PolarHBondContact O-N 3Å; N411-L414 PolarHBondContact O-N 2.81Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; L414-L417 PolarHBondContact O-N 3.18Å; L414-F418 VanDerWaalsContact O-CB 3.29Å; L414-F418 WeakPolarHBondContact O-CB 3.25Å; L414-F418 PolarHBondContact O-N 2.77Å; L414-L584 HydrophobicContact CD2-CD1 3.86Å |
| 415 | Q | 81.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 172.9 | -171.3 | 68 | 0.3 | 0 | 0 | 111.6 | N411 E412 K413 F418 I419 Y516 R593 | N411-Q415 WeakPolarHBondContact O-CB 3.34Å; N411-Q415 PolarHBondContact O-N 2.67Å; E412-Q415 PolarHBondContact O-N 2.79Å; K413-Q415 VanDerWaalsContact C-N 3.32Å; K413-Q415 PolarHBondContact O-N 3.42Å; Q415-F418 WeakPolarHBondContact O-CB 3.26Å; Q415-F418 PolarHBondContact O-N 2.81Å; Q415-I419 HydrophobicContact CG-CD1 4.33Å; Q415-I419 WeakPolarHBondContact O-CG1 3.47Å; Q415-I419 PolarHBondContact O-N 3.32Å; Q415-Y516 HydrophobicContact CB-CE2 4.13Å; Q415-Y516 HydrophobicContact CG-CD2 3.9Å; Q415-Y516 HydrophobicContact CG-CE2 3.71Å; Q415-Y516 HydrophobicContact CG-CG 4.5Å; Q415-R593 VanDerWaalsContact OE1-NH2 3.09Å |
| 416 | Q | 84.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 21.6 Ų | 21.6 | 14% | 0.136 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.4 | -49.3 | 175.7 | -177.1 | -170.9 | 4.7 | 0 | 0 | 110.4 | E412 K413 L414 F418 I419 Q420 N445 C449 | E412-Q416 PolarHBondContact O-N 3.43Å; K413-Q416 WeakPolarHBondContact O-CB 3.43Å; K413-Q416 PolarHBondContact O-N 3.17Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; Q416-F418 VanDerWaalsContact C-N 3.27Å; Q416-F418 PolarHBondContact O-N 3.26Å; Q416-I419 PolarHBondContact O-N 3.22Å; Q416-Q420 WeakPolarHBondContact O-CB 3.47Å; Q416-Q420 PolarHBondContact O-N 3Å; Q416-N445 WeakPolarHBondContact CA-ND2 3.36Å; Q416-N445 WeakPolarHBondContact CA-OD1 3.49Å; Q416-N445 WeakPolarHBondContact CB-ND2 3.12Å; Q416-N445 PolarHBondContact N-ND2 2.87Å; Q416-C449 PolarHBondContact OE1-SG 3.2Å |
| 417 | L | 83.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.9 | -43.6 | 175.7 | 177.4 | 65.2 | 0 | 0 | 0 | 111 | K413 L414 Q420 L421 T581 L584 M585 | K413-L417 PolarHBondContact O-N 3.07Å; L414-L417 PolarHBondContact O-N 3.18Å; L417-Q420 PolarHBondContact O-N 2.66Å; L417-L421 HydrophobicContact CD1-CD1 3.81Å; L417-L421 HydrophobicContact CD1-CD2 4.47Å; L417-L421 HydrophobicContact CD1-CG 3.87Å; L417-L421 HydrophobicContact CD2-CD1 4.35Å; L417-L421 HydrophobicContact CG-CD1 3.8Å; L417-L421 HydrophobicContact CG-CG 4.23Å; L417-L421 WeakPolarHBondContact O-CB 3.48Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 2.76Å; L417-T581 HydrophobicContact CB-CG2 4.35Å; L417-T581 HydrophobicContact CD1-CG2 3.86Å; L417-T581 HydrophobicContact CD2-CG2 3.97Å; L417-T581 HydrophobicContact CG-CG2 4.28Å; L417-L584 HydrophobicContact CD2-CB 3.66Å; L417-L584 HydrophobicContact CD2-CD1 3.73Å; L417-L584 HydrophobicContact CD2-CG 4.37Å; L417-M585 HydrophobicContact CD1-CE 3.87Å; L417-M585 HydrophobicContact CD1-CG 3.46Å; L417-M585 VanDerWaalsContact CD1-CG 3.46Å; L417-M585 HydrophobicContact CD1-SD 4.41Å |
| 418 | F | 80.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 4% | 0.044 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58 | -51.4 | 177.5 | 164.8 | -105.6 | 0 | 0 | 0 | 112.9 | L50 L414 Q415 Q416 Q420 L421 T422 Y591 H623 | L50-F418 HydrophobicContact CD1-CZ 4.46Å; L414-F418 VanDerWaalsContact O-CB 3.29Å; L414-F418 WeakPolarHBondContact O-CB 3.25Å; L414-F418 PolarHBondContact O-N 2.77Å; Q415-F418 WeakPolarHBondContact O-CB 3.26Å; Q415-F418 PolarHBondContact O-N 2.81Å; Q416-F418 VanDerWaalsContact C-N 3.27Å; Q416-F418 PolarHBondContact O-N 3.26Å; F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 3.3Å; F418-L421 PolarHBondContact O-N 3.07Å; F418-T422 WeakPolarHBondContact O-CB 3.2Å; F418-T422 PolarHBondContact O-N 3.46Å; F418-T422 PolarHBondContact O-OG1 2.93Å; F418-Y591 AromaticContact CD2-CD1 3.75Å; F418-Y591 HydrophobicContact CD2-CD1 3.75Å; F418-Y591 HydrophobicContact CD2-CD2 4.2Å; F418-Y591 AromaticContact CD2-CE1 3.35Å; F418-Y591 HydrophobicContact CD2-CE1 3.35Å; F418-Y591 AromaticContact CD2-CE2 3.81Å; F418-Y591 HydrophobicContact CD2-CE2 3.81Å; F418-Y591 HydrophobicContact CD2-CG 4.15Å; F418-Y591 AromaticContact CD2-CZ 3.34Å; F418-Y591 AromaticContact CE2-CD1 3.89Å; F418-Y591 HydrophobicContact CE2-CD1 3.89Å; F418-Y591 AromaticContact CE2-CD2 3.73Å; F418-Y591 HydrophobicContact CE2-CD2 3.73Å; F418-Y591 AromaticContact CE2-CE1 3.87Å; F418-Y591 HydrophobicContact CE2-CE1 3.87Å; F418-Y591 AromaticContact CE2-CE2 3.66Å; F418-Y591 HydrophobicContact CE2-CE2 3.66Å; F418-Y591 AromaticContact CE2-CG 3.81Å; F418-Y591 HydrophobicContact CE2-CG 3.81Å; F418-Y591 AromaticContact CE2-CZ 3.72Å; F418-Y591 HydrophobicContact CG-CE1 4.44Å; F418-H623 HydrophobicContact CZ-CB 4.33Å; F418-H623 AromaticContact CZ-CD2 3.41Å; F418-H623 VanDerWaalsContact CZ-CD2 3.41Å; F418-H623 WeakPolarHBondContact CZ-CD2 3.33Å |
| 419 | I | 77.8 | Confident | 80.9 | Confident | 20 Ų | 20 | 30.6 Ų | 30.6 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 179.3 | -70.3 | 171.3 | 0 | 0 | 0 | 109.4 | Q415 Q416 L423 F442 | Q415-I419 HydrophobicContact CG-CD1 4.33Å; Q415-I419 WeakPolarHBondContact O-CG1 3.47Å; Q415-I419 PolarHBondContact O-N 3.32Å; Q416-I419 PolarHBondContact O-N 3.22Å; I419-L423 HydrophobicContact CG2-CD1 3.5Å; I419-L423 HydrophobicContact CG2-CG 4.39Å; I419-L423 VanDerWaalsContact O-CB 3.27Å; I419-L423 WeakPolarHBondContact O-CB 3.48Å; I419-L423 WeakPolarHBondContact O-CG 3.4Å; I419-L423 PolarHBondContact O-N 3.16Å; I419-F442 HydrophobicContact CD1-CD2 4.41Å; I419-F442 HydrophobicContact CG2-CD2 3.53Å; I419-F442 HydrophobicContact CG2-CE2 3.49Å; I419-F442 VanDerWaalsContact CG2-CE2 3.49Å; I419-F442 HydrophobicContact CG2-CG 4.22Å; I419-F442 HydrophobicContact CG2-CZ 4.14Å |
| 420 | Q | 79.9 | Confident | 80.8 | Confident | 86 Ų | 86 | 30.5 Ų | 30.5 | 40% | 0.402 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.9 | -50.6 | 179.4 | -174.1 | 177.3 | -10.9 | 0 | 0 | 111.9 | Q416 L417 F418 K424 | Q416-Q420 WeakPolarHBondContact O-CB 3.47Å; Q416-Q420 PolarHBondContact O-N 3Å; L417-Q420 PolarHBondContact O-N 2.66Å; F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 3.3Å; Q420-K424 WeakPolarHBondContact O-CB 3.45Å; Q420-K424 PolarHBondContact O-N 2.94Å |
| 421 | L | 80.8 | Confident | 80.8 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | -179.8 | -72.6 | 175.9 | 0 | 0 | 0 | 111.6 | F102 L417 F418 A425 A589 | F102-L421 HydrophobicContact CE1-CD1 4.41Å; F102-L421 HydrophobicContact CZ-CD1 4.16Å; L417-L421 HydrophobicContact CD1-CD1 3.81Å; L417-L421 HydrophobicContact CD1-CD2 4.47Å; L417-L421 HydrophobicContact CD1-CG 3.87Å; L417-L421 HydrophobicContact CD2-CD1 4.35Å; L417-L421 HydrophobicContact CG-CD1 3.8Å; L417-L421 HydrophobicContact CG-CG 4.23Å; L417-L421 WeakPolarHBondContact O-CB 3.48Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 2.76Å; F418-L421 PolarHBondContact O-N 3.07Å; L421-A425 WeakPolarHBondContact O-CB 3.47Å; L421-A425 PolarHBondContact O-N 3.36Å; L421-A425 VanDerWaalsContact O-N 3.07Å; L421-A589 HydrophobicContact CD1-CB 4.39Å |
| 422 | T | 77.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70 | -46.3 | -176.8 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | F418 E426 V626 | F418-T422 WeakPolarHBondContact O-CB 3.2Å; F418-T422 PolarHBondContact O-N 3.46Å; F418-T422 PolarHBondContact O-OG1 2.93Å; T422-E426 WeakPolarHBondContact O-CG 2.99Å; T422-E426 PolarHBondContact O-N 3.35Å; T422-V626 HydrophobicContact CG2-CG1 4.24Å |
| 423 | L | 76.6 | Confident | 80.9 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.2 | -46.3 | -179.8 | -72.5 | 170.6 | 0 | 0 | 0 | 112 | I419 A425 E426 Q427 W437 F442 V626 | I419-L423 HydrophobicContact CG2-CD1 3.5Å; I419-L423 HydrophobicContact CG2-CG 4.39Å; I419-L423 VanDerWaalsContact O-CB 3.27Å; I419-L423 WeakPolarHBondContact O-CB 3.48Å; I419-L423 WeakPolarHBondContact O-CG 3.4Å; I419-L423 PolarHBondContact O-N 3.16Å; L423-A425 PolarHBondContact O-N 2.89Å; L423-E426 PolarHBondContact O-N 3.24Å; L423-Q427 WeakPolarHBondContact O-CB 3.31Å; L423-Q427 VanDerWaalsContact O-CG 3.26Å; L423-Q427 WeakPolarHBondContact O-CG 3.29Å; L423-Q427 PolarHBondContact O-N 3.39Å; L423-W437 HydrophobicContact CD2-CZ2 4.25Å; L423-F442 HydrophobicContact CD1-CD1 3.44Å; L423-F442 VanDerWaalsContact CD1-CD1 3.44Å; L423-F442 HydrophobicContact CD1-CD2 4.31Å; L423-F442 HydrophobicContact CD1-CE1 3.34Å; L423-F442 HydrophobicContact CD1-CE2 4.24Å; L423-F442 HydrophobicContact CD1-CG 3.95Å; L423-F442 HydrophobicContact CD1-CZ 3.76Å; L423-V626 HydrophobicContact CD2-CB 4.31Å; L423-V626 HydrophobicContact CD2-CG1 3.67Å; L423-V626 HydrophobicContact CD2-CG2 3.6Å; L423-V626 HydrophobicContact CG-CG2 4.41Å |
| 424 | K | 74 | Confident | 80.8 | Confident | 100 Ų | 100 | 41.5 Ų | 41.5 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -177.7 | -173.9 | 176.4 | 167.4 | -179 | 0 | 111.1 | Q420 E426 Q427 E428 | Q420-K424 WeakPolarHBondContact O-CB 3.45Å; Q420-K424 PolarHBondContact O-N 2.94Å; K424-E426 PolarHBondContact O-N 3.4Å; K424-Q427 PolarHBondContact O-N 2.66Å; K424-E428 WeakPolarHBondContact CE-OE1 3.38Å; K424-E428 HydrophobicContact CG-CG 4.27Å; K424-E428 IonicContact NZ-OE1 3.76Å; K424-E428 WeakPolarHBondContact O-CB 3.12Å; K424-E428 WeakPolarHBondContact O-CG 3.26Å; K424-E428 PolarHBondContact O-N 2.98Å |
| 425 | A | 73.9 | Confident | 80.9 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L421 L423 E429 | L421-A425 WeakPolarHBondContact O-CB 3.47Å; L421-A425 PolarHBondContact O-N 3.36Å; L421-A425 VanDerWaalsContact O-N 3.07Å; L423-A425 PolarHBondContact O-N 2.89Å; A425-E429 VanDerWaalsContact O-CB 3.27Å; A425-E429 WeakPolarHBondContact O-CB 3.42Å; A425-E429 PolarHBondContact O-N 2.9Å; A425-E429 VanDerWaalsContact O-N 3.15Å |
| 426 | E | 76.4 | Confident | 80.9 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -40 | 174.7 | -71.5 | -64.6 | 140.3 | 0 | 0 | 112 | T422 L423 K424 Y430 W437 R627 R634 | T422-E426 WeakPolarHBondContact O-CG 2.99Å; T422-E426 PolarHBondContact O-N 3.35Å; L423-E426 PolarHBondContact O-N 3.24Å; K424-E426 PolarHBondContact O-N 3.4Å; E426-Y430 WeakPolarHBondContact O-CD1 3.42Å; E426-Y430 PolarHBondContact O-N 3.02Å; E426-Y430 VanDerWaalsContact O-N 3.07Å; E426-Y430 VanDerWaalsContact OE2-CE1 3.31Å; E426-Y430 WeakPolarHBondContact OE2-CE1 3.37Å; E426-Y430 PolarHBondContact OE2-OH 2.9Å; E426-W437 HydrophobicContact CB-CH2 4.17Å; E426-W437 HydrophobicContact CB-CZ3 3.97Å; E426-R627 IonicContact OE1-CZ 3.68Å; E426-R627 IonicContact OE1-NH1 2.8Å; E426-R627 PolarHBondContact OE1-NH1 3.26Å; E426-R634 VanDerWaalsContact CD-NH1 3.31Å; E426-R634 IonicContact OE1-CZ 2.74Å; E426-R634 IonicContact OE1-NH1 2.72Å; E426-R634 PolarHBondContact OE1-NH1 3.37Å; E426-R634 IonicContact OE1-NH2 2.8Å; E426-R634 IonicContact OE2-NH1 3.28Å; E426-R634 PolarHBondContact OE2-NH1 3.23Å |
| 427 | Q | 78.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -51.2 | 177 | -74.5 | 171 | 0.6 | 0 | 0 | 112 | L423 K424 E429 Y430 E431 W437 | L423-Q427 WeakPolarHBondContact O-CB 3.31Å; L423-Q427 VanDerWaalsContact O-CG 3.26Å; L423-Q427 WeakPolarHBondContact O-CG 3.29Å; L423-Q427 PolarHBondContact O-N 3.39Å; K424-Q427 PolarHBondContact O-N 2.66Å; Q427-E429 VanDerWaalsContact C-N 3.28Å; Q427-E429 PolarHBondContact O-N 3.5Å; Q427-Y430 PolarHBondContact O-N 3.4Å; Q427-Y430 VanDerWaalsContact O-N 3.16Å; Q427-E431 WeakPolarHBondContact O-CB 3.45Å; Q427-E431 WeakPolarHBondContact O-CG 3.43Å; Q427-E431 PolarHBondContact O-N 3.28Å; Q427-W437 HydrophobicContact CG-CD2 3.92Å; Q427-W437 HydrophobicContact CG-CE3 4.43Å; Q427-W437 HydrophobicContact CG-CG 4.26Å; Q427-W437 HydrophobicContact CG-CZ2 4.03Å |
| 428 | E | 80.3 | Confident | 80 | Confident | 103 Ų | 103 | 55.6 Ų | 55.6 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 179.8 | -73.6 | 176.5 | 165.8 | 0 | 0 | 111.6 | K424 A432 | K424-E428 WeakPolarHBondContact CE-OE1 3.38Å; K424-E428 HydrophobicContact CG-CG 4.27Å; K424-E428 IonicContact NZ-OE1 3.76Å; K424-E428 WeakPolarHBondContact O-CB 3.12Å; K424-E428 WeakPolarHBondContact O-CG 3.26Å; K424-E428 PolarHBondContact O-N 2.98Å; E428-A432 WeakPolarHBondContact O-CB 3.38Å; E428-A432 PolarHBondContact O-N 3.46Å |
| 429 | E | 80.1 | Confident | 79.5 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 19% | 0.192 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 176.4 | -179.8 | 71 | -165.5 | 0 | 0 | 111.7 | A425 Q427 A432 E433 K683 F685 | A425-E429 VanDerWaalsContact O-CB 3.27Å; A425-E429 WeakPolarHBondContact O-CB 3.42Å; A425-E429 PolarHBondContact O-N 2.9Å; A425-E429 VanDerWaalsContact O-N 3.15Å; Q427-E429 VanDerWaalsContact C-N 3.28Å; Q427-E429 PolarHBondContact O-N 3.5Å; E429-A432 PolarHBondContact O-N 3.25Å; E429-E433 WeakPolarHBondContact O-CB 3.42Å; E429-E433 WeakPolarHBondContact O-CG 3.48Å; E429-E433 PolarHBondContact O-N 2.96Å; E429-K683 WeakPolarHBondContact OE1-CD 3.24Å; E429-K683 WeakPolarHBondContact OE1-CE 3.46Å; E429-K683 IonicContact OE1-NZ 2.68Å; E429-K683 PolarHBondContact OE1-NZ 2.98Å; E429-K683 IonicContact OE2-NZ 3.39Å; E429-K683 PolarHBondContact OE2-NZ 3.37Å; E429-F685 HydrophobicContact CG-CE1 4.45Å; E429-F685 HydrophobicContact CG-CZ 4.3Å |
| 430 | Y | 84.5 | Confident | 79.1 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.8 | -37.7 | -178.1 | -73.2 | 20.8 | 0 | 0 | 0 | 110.7 | E426 Q427 E433 G434 I435 W437 G630 F631 F685 | E426-Y430 WeakPolarHBondContact O-CD1 3.42Å; E426-Y430 PolarHBondContact O-N 3.02Å; E426-Y430 VanDerWaalsContact O-N 3.07Å; E426-Y430 VanDerWaalsContact OE2-CE1 3.31Å; E426-Y430 WeakPolarHBondContact OE2-CE1 3.37Å; E426-Y430 PolarHBondContact OE2-OH 2.9Å; Q427-Y430 PolarHBondContact O-N 3.4Å; Q427-Y430 VanDerWaalsContact O-N 3.16Å; Y430-E433 CarbonylContact O-C 3.59Å; Y430-E433 PolarHBondContact O-N 3.19Å; Y430-G434 PolarHBondContact O-N 3.41Å; Y430-I435 HydrophobicContact CD2-CB 4.5Å; Y430-I435 HydrophobicContact CD2-CG2 4.02Å; Y430-I435 HydrophobicContact CG-CB 4.32Å; Y430-I435 HydrophobicContact CG-CG2 4.32Å; Y430-I435 PolarHBondContact O-N 3.44Å; Y430-W437 AromaticContact CD2-CE3 3.53Å; Y430-W437 HydrophobicContact CD2-CE3 3.53Å; Y430-W437 HydrophobicContact CD2-CZ3 4.07Å; Y430-W437 AromaticContact CE2-CE3 3.66Å; Y430-W437 HydrophobicContact CE2-CE3 3.66Å; Y430-W437 AromaticContact CE2-CZ3 3.76Å; Y430-W437 HydrophobicContact CE2-CZ3 3.76Å; Y430-W437 HydrophobicContact CG-CE3 4.32Å; Y430-G630 WeakPolarHBondContact OH-CA 3.44Å; Y430-F631 HydrophobicContact CE1-CD2 4.4Å; Y430-F631 AromaticContact CE2-CD2 3.75Å; Y430-F631 HydrophobicContact CE2-CD2 3.75Å; Y430-F631 HydrophobicContact CE2-CE2 4.06Å; Y430-F631 AromaticContact CZ-CD2 3.73Å; Y430-F631 PolarHBondContact OH-N 3.14Å; Y430-F685 HydrophobicContact CD1-CE1 4.13Å; Y430-F685 HydrophobicContact CE1-CD1 4.34Å; Y430-F685 AromaticContact CE1-CE1 3.92Å; Y430-F685 HydrophobicContact CE1-CE1 3.92Å |
| 431 | E | 85.4 | Confident | 78.5 | Confident | 143 Ų | 143 | 65.3 Ų | 65.3 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 171.2 | -73.2 | -179.1 | -175.6 | 0 | 0 | 111.6 | Q427 E433 G434 | Q427-E431 WeakPolarHBondContact O-CB 3.45Å; Q427-E431 WeakPolarHBondContact O-CG 3.43Å; Q427-E431 PolarHBondContact O-N 3.28Å; E431-E433 VanDerWaalsContact C-N 3.29Å; E431-E433 PolarHBondContact O-N 2.86Å; E431-G434 PolarHBondContact O-N 3.21Å |
| 432 | A | 85.6 | Confident | 78 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 45% | 0.446 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E428 E429 R681 | E428-A432 WeakPolarHBondContact O-CB 3.38Å; E428-A432 PolarHBondContact O-N 3.46Å; E429-A432 PolarHBondContact O-N 3.25Å; A432-R681 WeakPolarHBondContact O-CD 3.4Å; A432-R681 PolarHBondContact O-NH1 2.81Å |
| 433 | E | 87.5 | Confident | 77.7 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.065 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -88.6 | -4.3 | -178.9 | -69 | -73.7 | 150.2 | 0 | 0 | 113.9 | E429 Y430 E431 I435 G680 R681 T682 K683 F685 | E429-E433 WeakPolarHBondContact O-CB 3.42Å; E429-E433 WeakPolarHBondContact O-CG 3.48Å; E429-E433 PolarHBondContact O-N 2.96Å; Y430-E433 CarbonylContact O-C 3.59Å; Y430-E433 PolarHBondContact O-N 3.19Å; E431-E433 VanDerWaalsContact C-N 3.29Å; E431-E433 PolarHBondContact O-N 2.86Å; E433-I435 HydrophobicContact CB-CD1 4.28Å; E433-I435 HydrophobicContact CB-CG1 4.39Å; E433-G680 WeakPolarHBondContact O-CA 3.48Å; E433-R681 PolarHBondContact O-N 3.33Å; E433-R681 VanDerWaalsContact O-N 3.12Å; E433-R681 PolarHBondContact OE2-N 3.15Å; E433-T682 PolarHBondContact OE1-OG1 2.93Å; E433-T682 PolarHBondContact OE2-N 3.17Å; E433-K683 PolarHBondContact OE2-N 2.96Å; E433-F685 HydrophobicContact CB-CE2 3.87Å; E433-F685 HydrophobicContact CB-CZ 4.03Å; E433-F685 HydrophobicContact CG-CE2 3.81Å; E433-F685 HydrophobicContact CG-CZ 3.78Å |
| 434 | G | 84.1 | Confident | 77.7 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 31.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y430 E431 | Y430-G434 PolarHBondContact O-N 3.41Å; E431-G434 PolarHBondContact O-N 3.21Å |
| 435 | I | 85.8 | Confident | 77.9 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 136.6 | -178.6 | -63.5 | 176.9 | 0 | 0 | 0 | 110 | Y430 E433 W437 F631 K678 F685 | Y430-I435 HydrophobicContact CD2-CB 4.5Å; Y430-I435 HydrophobicContact CD2-CG2 4.02Å; Y430-I435 HydrophobicContact CG-CB 4.32Å; Y430-I435 HydrophobicContact CG-CG2 4.32Å; Y430-I435 PolarHBondContact O-N 3.44Å; E433-I435 HydrophobicContact CB-CD1 4.28Å; E433-I435 HydrophobicContact CB-CG1 4.39Å; I435-W437 PolarHBondContact O-N 3.48Å; I435-F631 HydrophobicContact CG2-CD2 4.47Å; I435-F631 HydrophobicContact CG2-CE2 3.54Å; I435-F631 HydrophobicContact CG2-CZ 4.09Å; I435-K678 HydrophobicContact CG2-CD 4.39Å; I435-F685 HydrophobicContact CD1-CB 4.15Å; I435-F685 HydrophobicContact CD1-CD1 4Å; I435-F685 HydrophobicContact CD1-CD2 3.2Å; I435-F685 HydrophobicContact CD1-CE1 4.17Å; I435-F685 HydrophobicContact CD1-CE2 3.41Å; I435-F685 VanDerWaalsContact CD1-CE2 3.41Å; I435-F685 HydrophobicContact CD1-CG 3.52Å; I435-F685 HydrophobicContact CD1-CZ 3.91Å |
| 436 | E | 81.3 | Confident | 78.4 | Confident | 157 Ų | 157 | 72.5 Ų | 72.5 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 126.6 | 176.9 | -67 | 173.2 | 153.9 | 0 | 0 | 111.4 | K678 | E436-K678 IonicContact OE2-NZ 2.85Å; E436-K678 PolarHBondContact OE2-NZ 3.05Å |
| 437 | W | 77.6 | Confident | 79 | Confident | 61 Ų | 61 | 75.3 Ų | 75.3 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -95 | 125.5 | 177.6 | 175.6 | -102.1 | 0 | 0 | 0 | 111.5 | L423 E426 Q427 Y430 I435 V440 | L423-W437 HydrophobicContact CD2-CZ2 4.25Å; E426-W437 HydrophobicContact CB-CH2 4.17Å; E426-W437 HydrophobicContact CB-CZ3 3.97Å; Q427-W437 HydrophobicContact CG-CD2 3.92Å; Q427-W437 HydrophobicContact CG-CE3 4.43Å; Q427-W437 HydrophobicContact CG-CG 4.26Å; Q427-W437 HydrophobicContact CG-CZ2 4.03Å; Y430-W437 AromaticContact CD2-CE3 3.53Å; Y430-W437 HydrophobicContact CD2-CE3 3.53Å; Y430-W437 HydrophobicContact CD2-CZ3 4.07Å; Y430-W437 AromaticContact CE2-CE3 3.66Å; Y430-W437 HydrophobicContact CE2-CE3 3.66Å; Y430-W437 AromaticContact CE2-CZ3 3.76Å; Y430-W437 HydrophobicContact CE2-CZ3 3.76Å; Y430-W437 HydrophobicContact CG-CE3 4.32Å; I435-W437 PolarHBondContact O-N 3.48Å; W437-V440 HydrophobicContact CH2-CG2 4.41Å; W437-V440 HydrophobicContact CZ2-CG2 4.15Å |
| 438 | E | 73.2 | Confident | 79.5 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 121.5 | 169.8 | -70.9 | 176 | -172.6 | 0 | 0 | 109.8 | V440 R687 | E438-V440 PolarHBondContact O-N 3.38Å; E438-V440 VanDerWaalsContact O-N 3.14Å; E438-R687 IonicContact OE2-NH2 3.47Å |
| 439 | P | 69.6 | Low | 79.8 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 75% | 0.747 | 35% | 0.347 | S | S | * | . | trans | -67.4 | 115.2 | -178.5 | 25.3 | -32 | 0 | 0 | 0 | 111.4 | ||||
| 440 | V | 69.9 | Low | 80.3 | Confident | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | trans | -80.4 | 127.3 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | W437 E438 F442 R625 V626 A629 | W437-V440 HydrophobicContact CH2-CG2 4.41Å; W437-V440 HydrophobicContact CZ2-CG2 4.15Å; E438-V440 PolarHBondContact O-N 3.38Å; E438-V440 VanDerWaalsContact O-N 3.14Å; V440-F442 WeakPolarHBondContact O-CD1 3.49Å; V440-F442 PolarHBondContact O-N 2.92Å; V440-R625 HydrophobicContact CG1-CB 4.15Å; V440-V626 HydrophobicContact CB-CG2 4.42Å; V440-V626 HydrophobicContact CG1-CG2 3.99Å; V440-A629 HydrophobicContact CG2-CB 3.38Å | ||
| 441 | Q | 66.6 | Low | 80.5 | Confident | 178 Ų | 178 | 68.1 Ų | 68.1 | 83% | 0.832 | 35% | 0.354 | S | S | * | . | trans | -72.6 | 121.2 | 172.1 | -65.4 | -175.7 | -2.1 | 0 | 0 | 110.2 | ||||
| 442 | F | 70.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 40% | 0.395 | 32% | 0.322 | S | S | . | . | trans | -132.2 | 158.6 | 176 | 68.8 | -88 | 0 | 0 | 0 | 111.1 | I419 L423 V440 N444 | I419-F442 HydrophobicContact CD1-CD2 4.41Å; I419-F442 HydrophobicContact CG2-CD2 3.53Å; I419-F442 HydrophobicContact CG2-CE2 3.49Å; I419-F442 VanDerWaalsContact CG2-CE2 3.49Å; I419-F442 HydrophobicContact CG2-CG 4.22Å; I419-F442 HydrophobicContact CG2-CZ 4.14Å; L423-F442 HydrophobicContact CD1-CD1 3.44Å; L423-F442 VanDerWaalsContact CD1-CD1 3.44Å; L423-F442 HydrophobicContact CD1-CD2 4.31Å; L423-F442 HydrophobicContact CD1-CE1 3.34Å; L423-F442 HydrophobicContact CD1-CE2 4.24Å; L423-F442 HydrophobicContact CD1-CG 3.95Å; L423-F442 HydrophobicContact CD1-CZ 3.76Å; V440-F442 WeakPolarHBondContact O-CD1 3.49Å; V440-F442 PolarHBondContact O-N 2.92Å; F442-N444 PolarHBondContact O-N 2.95Å | ||
| 443 | F | 71.2 | Confident | 81 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | trans | -73.5 | 119.8 | 176.7 | 179.2 | -99 | 0 | 0 | 0 | 110.8 | N445 I448 H491 | F443-N445 HydrophobicContact CD1-CB 4.18Å; F443-N445 HydrophobicContact CE1-CB 4.09Å; F443-N445 PolarHBondContact O-N 2.89Å; F443-N445 VanDerWaalsContact O-N 3.15Å; F443-I448 HydrophobicContact CE1-CD1 3.8Å; F443-I448 HydrophobicContact CZ-CD1 3.85Å; F443-H491 AromaticContact CZ-CE1 3.89Å | ||
| 444 | N | 75.4 | Confident | 80.9 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | trans | -83.2 | 92.1 | -179.3 | -173.2 | 7.4 | 0 | 0 | 0 | 111.6 | F442 K446 | F442-N444 PolarHBondContact O-N 2.95Å; N444-K446 PolarHBondContact O-N 3.21Å; N444-K446 WeakPolarHBondContact OD1-CB 3.37Å; N444-K446 PolarHBondContact OD1-N 3.01Å; N444-K446 VanDerWaalsContact OD1-N 3.17Å | ||
| 445 | N | 79.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7.4 | 177.8 | 64 | -21.3 | 0 | 0 | 0 | 114.6 | E412 Q416 F443 I447 I448 C449 | E412-N445 PolarHBondContact O-ND2 2.93Å; E412-N445 VanDerWaalsContact O-ND2 3.14Å; E412-N445 WeakPolarHBondContact OE1-CB 3.41Å; Q416-N445 WeakPolarHBondContact CA-ND2 3.36Å; Q416-N445 WeakPolarHBondContact CA-OD1 3.49Å; Q416-N445 WeakPolarHBondContact CB-ND2 3.12Å; Q416-N445 PolarHBondContact N-ND2 2.87Å; F443-N445 HydrophobicContact CD1-CB 4.18Å; F443-N445 HydrophobicContact CE1-CB 4.09Å; F443-N445 PolarHBondContact O-N 2.89Å; F443-N445 VanDerWaalsContact O-N 3.15Å; N445-I447 PolarHBondContact O-N 3.03Å; N445-I448 PolarHBondContact O-N 2.98Å; N445-I448 VanDerWaalsContact O-N 3.11Å; N445-C449 PolarHBondContact O-N 2.83Å |
| 446 | K | 84.4 | Confident | 80.4 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.2 | -34.8 | 175.3 | -178.6 | 171.4 | 176.8 | 177.4 | 0 | 112.1 | N444 I448 C449 D450 | N444-K446 PolarHBondContact O-N 3.21Å; N444-K446 WeakPolarHBondContact OD1-CB 3.37Å; N444-K446 PolarHBondContact OD1-N 3.01Å; N444-K446 VanDerWaalsContact OD1-N 3.17Å; K446-I448 VanDerWaalsContact C-N 3.28Å; K446-I448 PolarHBondContact O-N 3.39Å; K446-C449 WeakPolarHBondContact O-CB 3.27Å; K446-C449 PolarHBondContact O-N 3.35Å; K446-D450 WeakPolarHBondContact CE-OD2 3.38Å; K446-D450 WeakPolarHBondContact CG-OD2 3.48Å; K446-D450 WeakPolarHBondContact O-CB 3.21Å; K446-D450 PolarHBondContact O-N 3.39Å |
| 447 | I | 88.2 | Confident | 80.4 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 35% | 0.354 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | -179.7 | -56.6 | 170.7 | 0 | 0 | 0 | 111.1 | N445 L451 H489 | N445-I447 PolarHBondContact O-N 3.03Å; I447-L451 WeakPolarHBondContact O-CB 3.35Å; I447-L451 PolarHBondContact O-N 3.09Å; I447-H489 WeakPolarHBondContact CG2-NE2 3.44Å |
| 448 | I | 88.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.5 | -40.9 | 178.8 | -59.1 | 158.8 | 0 | 0 | 0 | 110.3 | E412 F443 N445 K446 L451 V452 H491 L514 | E412-I448 HydrophobicContact CG-CB 4.13Å; E412-I448 HydrophobicContact CG-CG2 3.9Å; E412-I448 WeakPolarHBondContact OE1-CD1 3.23Å; F443-I448 HydrophobicContact CE1-CD1 3.8Å; F443-I448 HydrophobicContact CZ-CD1 3.85Å; N445-I448 PolarHBondContact O-N 2.98Å; N445-I448 VanDerWaalsContact O-N 3.11Å; K446-I448 VanDerWaalsContact C-N 3.28Å; K446-I448 PolarHBondContact O-N 3.39Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 3.23Å; I448-V452 WeakPolarHBondContact O-CG2 3.31Å; I448-V452 PolarHBondContact O-N 2.81Å; I448-H491 HydrophobicContact CG1-CB 4.34Å; I448-L514 VanDerWaalsContact CD1-O 3.29Å; I448-L514 WeakPolarHBondContact CD1-O 3.4Å |
| 449 | C | 88.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 173.6 | -79.8 | 0 | 0 | 0 | 0 | 112.2 | K413 Q416 N445 K446 V452 E453 | K413-C449 HydrophobicContact CD-CB 4.32Å; K413-C449 VanDerWaalsContact CE-CB 3.48Å; K413-C449 VanDerWaalsContact CE-SG 3.52Å; Q416-C449 PolarHBondContact OE1-SG 3.2Å; N445-C449 PolarHBondContact O-N 2.83Å; K446-C449 WeakPolarHBondContact O-CB 3.27Å; K446-C449 PolarHBondContact O-N 3.35Å; C449-V452 PolarHBondContact O-N 2.79Å; C449-E453 WeakPolarHBondContact O-CG 3.08Å; C449-E453 PolarHBondContact O-N 2.92Å |
| 450 | D | 89.4 | Confident | 82.7 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 178.9 | -67.4 | -11.9 | 0 | 0 | 0 | 109.9 | K446 V452 E453 E454 | K446-D450 WeakPolarHBondContact CE-OD2 3.38Å; K446-D450 WeakPolarHBondContact CG-OD2 3.48Å; K446-D450 WeakPolarHBondContact O-CB 3.21Å; K446-D450 PolarHBondContact O-N 3.39Å; D450-V452 PolarHBondContact O-N 3.05Å; D450-V452 VanDerWaalsContact O-N 3.14Å; D450-E453 PolarHBondContact O-N 3.24Å; D450-E454 WeakPolarHBondContact O-CB 3.41Å; D450-E454 PolarHBondContact O-N 3.36Å |
| 451 | L | 90.1 | Very high | 83.6 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.8 | -37.3 | 173.9 | -176.4 | 75.8 | 0 | 0 | 0 | 112.9 | I447 I448 G458 I459 M486 H489 H491 F492 L513 | I447-L451 WeakPolarHBondContact O-CB 3.35Å; I447-L451 PolarHBondContact O-N 3.09Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 3.23Å; L451-G458 VanDerWaalsContact O-CA 3.27Å; L451-G458 WeakPolarHBondContact O-CA 3.42Å; L451-I459 HydrophobicContact CG-CD1 4.43Å; L451-I459 PolarHBondContact O-N 3.45Å; L451-I459 VanDerWaalsContact O-N 3.11Å; L451-M486 HydrophobicContact CD1-CE 3.19Å; L451-M486 HydrophobicContact CD1-SD 3.68Å; L451-M486 HydrophobicContact CG-CE 3.78Å; L451-M486 WeakPolarHBondContact O-CE 3.5Å; L451-H489 HydrophobicContact CD1-CB 4.01Å; L451-H491 HydrophobicContact CD2-CB 4.46Å; L451-F492 HydrophobicContact CD2-CB 4.41Å; L451-L513 HydrophobicContact CD2-CD2 3.68Å |
| 452 | V | 90.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -82.9 | -43.1 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | F405 Y409 I448 C449 D450 I459 I460 | F405-V452 HydrophobicContact CE1-CG1 4.34Å; F405-V452 HydrophobicContact CE2-CG1 4.42Å; F405-V452 HydrophobicContact CE2-CG2 4.28Å; F405-V452 HydrophobicContact CZ-CG1 3.7Å; F405-V452 HydrophobicContact CZ-CG2 4.32Å; Y409-V452 HydrophobicContact CD1-CG1 4.47Å; Y409-V452 HydrophobicContact CD2-CB 3.59Å; Y409-V452 HydrophobicContact CD2-CG1 3.29Å; Y409-V452 HydrophobicContact CD2-CG2 4.08Å; Y409-V452 HydrophobicContact CE2-CB 3.78Å; Y409-V452 HydrophobicContact CE2-CG1 3.59Å; Y409-V452 HydrophobicContact CG-CG1 3.77Å; I448-V452 WeakPolarHBondContact O-CG2 3.31Å; I448-V452 PolarHBondContact O-N 2.81Å; C449-V452 PolarHBondContact O-N 2.79Å; D450-V452 PolarHBondContact O-N 3.05Å; D450-V452 VanDerWaalsContact O-N 3.14Å; V452-I459 HydrophobicContact CG2-CD1 4.35Å; V452-I459 PolarHBondContact O-N 2.93Å; V452-I460 HydrophobicContact CG1-CD1 3.74Å; V452-I460 HydrophobicContact CG1-CG1 3.97Å; V452-I460 PolarHBondContact O-N 3.46Å |
| 453 | E | 89.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -104.3 | -13.7 | -165.2 | 87.6 | 178.5 | 162.7 | 0 | 0 | 115.7 | Y409 K413 C449 D450 K455 K574 | Y409-E453 HydrophobicContact CE2-CB 4.14Å; Y409-E453 VanDerWaalsContact OH-CB 3.29Å; Y409-E453 WeakPolarHBondContact OH-CB 3.32Å; Y409-E453 PolarHBondContact OH-OE2 2.82Å; K413-E453 WeakPolarHBondContact CE-OE1 3.4Å; K413-E453 WeakPolarHBondContact CE-OE2 3.47Å; K413-E453 IonicContact NZ-OE1 3.75Å; K413-E453 PolarHBondContact NZ-OE1 2.63Å; K413-E453 IonicContact NZ-OE2 3.99Å; K413-E453 PolarHBondContact NZ-OE2 3Å; C449-E453 WeakPolarHBondContact O-CG 3.08Å; C449-E453 PolarHBondContact O-N 2.92Å; D450-E453 PolarHBondContact O-N 3.24Å; E453-K455 PolarHBondContact O-N 3.09Å; E453-K574 HydrophobicContact CB-CD 4.32Å; E453-K574 PolarHBondContact O-NZ 2.94Å |
| 454 | E | 87.2 | Confident | 86 | Confident | 92 Ų | 92 | 46.5 Ų | 46.5 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | trans | -52.2 | 134.2 | -172.3 | -175.8 | 178.3 | -168.8 | 0 | 0 | 110.9 | D450 H456 R457 G458 S461 | D450-E454 WeakPolarHBondContact O-CB 3.41Å; D450-E454 PolarHBondContact O-N 3.36Å; E454-H456 PolarHBondContact O-N 2.77Å; E454-R457 HydrophobicContact CG-CB 4.17Å; E454-G458 WeakPolarHBondContact O-CA 2.76Å; E454-G458 PolarHBondContact O-N 3.16Å; E454-S461 PolarHBondContact O-OG 3.44Å | ||
| 455 | K | 79.4 | Confident | 86.4 | Confident | 160 Ų | 160 | 45.9 Ų | 45.9 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 129.3 | -178.7 | -67.9 | -175.8 | 179.2 | -179.7 | 0 | 109.4 | E453 R457 | E453-K455 PolarHBondContact O-N 3.09Å; K455-R457 PolarHBondContact O-N 2.92Å |
| 456 | H | 78.1 | Confident | 86.6 | Confident | 139 Ų | 139 | 45.8 Ų | 45.8 | 64% | 0.644 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -17.3 | 178.4 | -48.4 | -69.7 | 0 | 0 | 0 | 116.5 | E454 S461 K485 | E454-H456 PolarHBondContact O-N 2.77Å; H456-S461 PolarHBondContact N-OG 2.92Å; H456-K485 PolarHBondContact O-NZ 3.47Å |
| 457 | R | 82.9 | Confident | 86.3 | Confident | 170 Ų | 170 | 41.7 Ų | 41.7 | 64% | 0.642 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -23.6 | 178.7 | -76.4 | -172.8 | 173.8 | -161.7 | -1.9 | 114.9 | E454 K455 I462 M486 | E454-R457 HydrophobicContact CG-CB 4.17Å; K455-R457 PolarHBondContact O-N 2.92Å; R457-I462 WeakPolarHBondContact O-CD1 3.45Å; R457-M486 WeakPolarHBondContact O-CE 3.43Å |
| 458 | G | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -70.4 | 158.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L451 E454 I460 S461 I462 | L451-G458 VanDerWaalsContact O-CA 3.27Å; L451-G458 WeakPolarHBondContact O-CA 3.42Å; E454-G458 WeakPolarHBondContact O-CA 2.76Å; E454-G458 PolarHBondContact O-N 3.16Å; G458-I460 PolarHBondContact O-N 3.28Å; G458-S461 PolarHBondContact O-N 3.25Å; G458-I462 WeakPolarHBondContact O-CG1 3.31Å; G458-I462 PolarHBondContact O-N 3.17Å |
| 459 | I | 90.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.4 | -41.3 | -179.5 | -61.8 | 173.5 | 0 | 0 | 0 | 111.7 | F405 L451 V452 I462 L463 F478 L482 M486 L513 | F405-I459 HydrophobicContact CE1-CG2 4.41Å; F405-I459 HydrophobicContact CE2-CD1 4.16Å; F405-I459 HydrophobicContact CE2-CG2 4.14Å; F405-I459 HydrophobicContact CZ-CB 4.09Å; F405-I459 HydrophobicContact CZ-CD1 4.43Å; F405-I459 HydrophobicContact CZ-CG2 3.64Å; L451-I459 HydrophobicContact CG-CD1 4.43Å; L451-I459 PolarHBondContact O-N 3.45Å; L451-I459 VanDerWaalsContact O-N 3.11Å; V452-I459 HydrophobicContact CG2-CD1 4.35Å; V452-I459 PolarHBondContact O-N 2.93Å; I459-I462 PolarHBondContact O-N 3.39Å; I459-L463 WeakPolarHBondContact O-CB 3.31Å; I459-L463 PolarHBondContact O-N 3.49Å; I459-F478 HydrophobicContact CG2-CZ 4.2Å; I459-L482 HydrophobicContact CB-CD2 4.39Å; I459-L482 HydrophobicContact CG1-CD2 4.1Å; I459-L482 HydrophobicContact CG2-CD2 4.19Å; I459-M486 HydrophobicContact CG1-CE 4.1Å; I459-L513 HydrophobicContact CD1-CD1 4Å; I459-L513 HydrophobicContact CD1-CD2 4.05Å |
| 460 | I | 89.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 178.8 | -65.8 | 173.1 | 0 | 0 | 0 | 111.3 | F405 Y409 V452 G458 I462 L463 D464 A570 K574 | F405-I460 HydrophobicContact CE1-CG1 4.35Å; Y409-I460 HydrophobicContact CE1-CD1 4.39Å; V452-I460 HydrophobicContact CG1-CD1 3.74Å; V452-I460 HydrophobicContact CG1-CG1 3.97Å; V452-I460 PolarHBondContact O-N 3.46Å; G458-I460 PolarHBondContact O-N 3.28Å; I460-I462 PolarHBondContact O-N 3.27Å; I460-L463 PolarHBondContact O-N 3.05Å; I460-D464 VanDerWaalsContact O-CG 3.31Å; I460-D464 PolarHBondContact O-N 3.21Å; I460-A570 HydrophobicContact CB-CB 4.49Å; I460-A570 HydrophobicContact CG1-CB 4.25Å; I460-A570 HydrophobicContact CG2-CB 3.73Å; I460-K574 HydrophobicContact CD1-CB 4.39Å |
| 461 | S | 88.4 | Confident | 82.6 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 179 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | E454 H456 G458 D464 E465 | E454-S461 PolarHBondContact O-OG 3.44Å; H456-S461 PolarHBondContact N-OG 2.92Å; G458-S461 PolarHBondContact O-N 3.25Å; S461-D464 PolarHBondContact O-N 3.06Å; S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 VanDerWaalsContact O-CG 3.31Å; S461-E465 WeakPolarHBondContact O-CG 3.43Å; S461-E465 PolarHBondContact O-N 3.47Å |
| 462 | I | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 176.7 | -60.9 | 169.8 | 0 | 0 | 0 | 110.4 | R457 G458 I459 I460 D464 E465 E466 F478 R481 L482 K485 M486 | R457-I462 WeakPolarHBondContact O-CD1 3.45Å; G458-I462 WeakPolarHBondContact O-CG1 3.31Å; G458-I462 PolarHBondContact O-N 3.17Å; I459-I462 PolarHBondContact O-N 3.39Å; I460-I462 PolarHBondContact O-N 3.27Å; I462-D464 VanDerWaalsContact C-N 3.32Å; I462-D464 PolarHBondContact O-N 3.48Å; I462-E465 PolarHBondContact O-N 3.15Å; I462-E466 PolarHBondContact O-N 3.2Å; I462-F478 HydrophobicContact CB-CE2 4.25Å; I462-F478 HydrophobicContact CG2-CD2 3.93Å; I462-F478 HydrophobicContact CG2-CE2 3.86Å; I462-R481 HydrophobicContact CG2-CB 4.07Å; I462-L482 HydrophobicContact CB-CD2 4.24Å; I462-L482 HydrophobicContact CD1-CD2 3.76Å; I462-L482 HydrophobicContact CG2-CD2 4.11Å; I462-K485 HydrophobicContact CD1-CB 3.97Å; I462-K485 HydrophobicContact CD1-CD 3.56Å; I462-K485 HydrophobicContact CD1-CG 4.37Å; I462-K485 HydrophobicContact CG1-CD 3.76Å; I462-M486 HydrophobicContact CD1-CG 4.3Å |
| 463 | L | 87.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 177.3 | -172.8 | 67.3 | 0 | 0 | 0 | 111.3 | F402 I459 I460 C467 F478 K527 L528 N531 A570 | F402-L463 HydrophobicContact CD2-CD2 4.27Å; F402-L463 HydrophobicContact CE2-CD2 3.74Å; I459-L463 WeakPolarHBondContact O-CB 3.31Å; I459-L463 PolarHBondContact O-N 3.49Å; I460-L463 PolarHBondContact O-N 3.05Å; L463-C467 WeakPolarHBondContact O-CB 3.49Å; L463-C467 PolarHBondContact O-N 2.75Å; L463-C467 PolarHBondContact O-SG 2.81Å; L463-F478 HydrophobicContact CB-CD2 4.46Å; L463-F478 HydrophobicContact CB-CE2 3.74Å; L463-F478 HydrophobicContact CB-CZ 4.05Å; L463-F478 HydrophobicContact CD1-CD1 4.11Å; L463-F478 HydrophobicContact CD1-CD2 4.04Å; L463-F478 HydrophobicContact CD1-CE1 3.87Å; L463-F478 HydrophobicContact CD1-CE2 3.79Å; L463-F478 HydrophobicContact CD1-CG 4.2Å; L463-F478 HydrophobicContact CD1-CZ 3.68Å; L463-F478 HydrophobicContact CG-CE2 4.38Å; L463-F478 HydrophobicContact CG-CZ 4.41Å; L463-K527 HydrophobicContact CD1-CB 4.32Å; L463-L528 HydrophobicContact CD1-CD2 3.92Å; L463-N531 HydrophobicContact CD2-CB 3.82Å; L463-N531 HydrophobicContact CG-CB 4.12Å; L463-A570 HydrophobicContact CD2-CB 4.37Å |
| 464 | D | 83.6 | Confident | 79.9 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 177 | -71.3 | -8 | 0 | 0 | 0 | 112.5 | I460 S461 I462 E466 C467 L468 N531 T568 T571 | I460-D464 VanDerWaalsContact O-CG 3.31Å; I460-D464 PolarHBondContact O-N 3.21Å; S461-D464 PolarHBondContact O-N 3.06Å; I462-D464 VanDerWaalsContact C-N 3.32Å; I462-D464 PolarHBondContact O-N 3.48Å; D464-E466 PolarHBondContact O-N 3.16Å; D464-C467 PolarHBondContact O-N 3.35Å; D464-L468 WeakPolarHBondContact O-CB 3.47Å; D464-L468 WeakPolarHBondContact O-CD1 3.44Å; D464-L468 WeakPolarHBondContact O-CG 3.42Å; D464-L468 PolarHBondContact O-N 2.91Å; D464-N531 PolarHBondContact OD1-ND2 3.01Å; D464-T568 HydrophobicContact CB-CG2 4.47Å; D464-T568 VanDerWaalsContact OD1-CB 3.22Å; D464-T568 WeakPolarHBondContact OD1-CB 3.23Å; D464-T568 WeakPolarHBondContact OD1-CG2 3.44Å; D464-T568 PolarHBondContact OD1-OG1 3.21Å; D464-T568 PolarHBondContact OD2-OG1 2.91Å; D464-T571 PolarHBondContact OD2-OG1 2.86Å |
| 465 | E | 84 | Confident | 79.7 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 175 | -78.8 | 172.7 | -169.1 | 0 | 0 | 111.8 | S461 I462 L468 R469 K485 | S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 VanDerWaalsContact O-CG 3.31Å; S461-E465 WeakPolarHBondContact O-CG 3.43Å; S461-E465 PolarHBondContact O-N 3.47Å; I462-E465 PolarHBondContact O-N 3.15Å; E465-L468 PolarHBondContact O-N 2.91Å; E465-R469 PolarHBondContact O-N 3.07Å; E465-K485 IonicContact OE1-NZ 2.65Å; E465-K485 IonicContact OE2-NZ 3.07Å; E465-K485 PolarHBondContact OE2-NZ 2.88Å |
| 466 | E | 83.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.6 | -34 | 177.5 | -68.2 | -53.3 | 132.3 | 0 | 0 | 112.4 | I462 D464 L468 R469 F478 R481 L528 | I462-E466 PolarHBondContact O-N 3.2Å; D464-E466 PolarHBondContact O-N 3.16Å; E466-L468 PolarHBondContact O-N 3.07Å; E466-R469 WeakPolarHBondContact O-CB 3.27Å; E466-R469 PolarHBondContact O-N 3.38Å; E466-R469 WeakPolarHBondContact OE2-CD 3.31Å; E466-R469 IonicContact OE2-NH1 2.87Å; E466-R469 PolarHBondContact OE2-NH1 2.88Å; E466-F478 HydrophobicContact CB-CB 4.47Å; E466-F478 HydrophobicContact CG-CB 4.24Å; E466-F478 HydrophobicContact CG-CD2 4.3Å; E466-R481 WeakPolarHBondContact OE1-CG 3.37Å; E466-R481 IonicContact OE1-CZ 3.65Å; E466-R481 VanDerWaalsContact OE1-CZ 3.28Å; E466-R481 IonicContact OE1-NE 2.86Å; E466-R481 IonicContact OE1-NH1 3.21Å; E466-R481 PolarHBondContact OE1-NH1 2.97Å; E466-L528 HydrophobicContact CB-CD2 3.92Å |
| 467 | C | 77.2 | Confident | 80.3 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -30.8 | 172.2 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | L463 D464 L528 N531 N532 | L463-C467 WeakPolarHBondContact O-CB 3.49Å; L463-C467 PolarHBondContact O-N 2.75Å; L463-C467 PolarHBondContact O-SG 2.81Å; D464-C467 PolarHBondContact O-N 3.35Å; C467-L528 VanDerWaalsContact SG-CD2 3.54Å; C467-N531 PolarHBondContact SG-ND2 3.06Å; C467-N531 VanDerWaalsContact SG-ND2 3.42Å; C467-N532 WeakPolarHBondContact CB-OD1 3.36Å |
| 468 | L | 73.6 | Confident | 80.5 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -88.6 | -10.7 | -178.3 | -69 | 166.9 | 0 | 0 | 0 | 113.5 | D464 E465 E466 P470 | D464-L468 WeakPolarHBondContact O-CB 3.47Å; D464-L468 WeakPolarHBondContact O-CD1 3.44Å; D464-L468 WeakPolarHBondContact O-CG 3.42Å; D464-L468 PolarHBondContact O-N 2.91Å; E465-L468 PolarHBondContact O-N 2.91Å; E466-L468 PolarHBondContact O-N 3.07Å; L468-P470 WeakPolarHBondContact O-CD 3.4Å |
| 469 | R | 74.8 | Confident | 80.4 | Confident | 119 Ų | 119 | 47 Ų | 47 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | trans | -67.7 | 124.1 | -175.3 | -173.1 | 177.4 | 179.9 | -176.3 | -3.9 | 111.2 | E465 E466 G471 | E465-R469 PolarHBondContact O-N 3.07Å; E466-R469 WeakPolarHBondContact O-CB 3.27Å; E466-R469 PolarHBondContact O-N 3.38Å; E466-R469 WeakPolarHBondContact OE2-CD 3.31Å; E466-R469 IonicContact OE2-NH1 2.87Å; E466-R469 PolarHBondContact OE2-NH1 2.88Å; R469-G471 PolarHBondContact O-N 2.83Å | ||
| 470 | P | 61.7 | Low | 80.2 | Confident | 128 Ų | 128 | 51.7 Ų | 51.7 | 83% | 0.831 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -73.3 | 113.4 | 170.8 | 26.4 | -28.8 | 0 | 0 | 0 | 110 | L468 | L468-P470 WeakPolarHBondContact O-CD 3.4Š|
| 471 | G | 66.2 | Low | 80.1 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 62% | 0.619 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 148.1 | -174.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | R469 A473 | R469-G471 PolarHBondContact O-N 2.83Å; G471-A473 PolarHBondContact O-N 2.86Å |
| 472 | D | 65.3 | Low | 80 | Confident | 163 Ų | 163 | 54.5 Ų | 54.5 | 87% | 0.872 | 30% | 0.301 | S | S | * | . | trans | -75.2 | 67.3 | 174 | -64.1 | -32.1 | 0 | 0 | 0 | 110.7 | T474 | D472-T474 PolarHBondContact O-N 3.27Š| ||
| 473 | A | 68.1 | Low | 79.9 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | trans | -67.9 | 123 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G471 L528 | G471-A473 PolarHBondContact O-N 2.86Å; A473-L528 HydrophobicContact CB-CD1 4.49Å | ||
| 474 | T | 80.7 | Confident | 79.8 | Confident | 69 Ų | 69 | 63 Ų | 63 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | trans | -120.6 | 156.3 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | D472 L476 T477 F478 L528 | D472-T474 PolarHBondContact O-N 3.27Å; T474-L476 PolarHBondContact O-N 3.47Å; T474-L476 VanDerWaalsContact O-N 3.09Å; T474-T477 PolarHBondContact N-OG1 3.29Å; T474-T477 PolarHBondContact O-N 2.94Å; T474-T477 PolarHBondContact O-OG1 3.08Å; T474-T477 WeakPolarHBondContact OG1-CG2 3.31Å; T474-T477 PolarHBondContact OG1-OG1 3.37Å; T474-F478 PolarHBondContact O-N 3.49Å; T474-L528 VanDerWaalsContact C-CD1 3.4Å | ||
| 475 | D | 82.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53.6 | -34.1 | 178.1 | -68.9 | -43.2 | 0 | 0 | 0 | 113 | F478 L479 V524 G526 K527 L528 | D475-F478 WeakPolarHBondContact O-CB 3.32Å; D475-F478 PolarHBondContact O-N 3.39Å; D475-L479 PolarHBondContact O-N 3.24Å; D475-L479 VanDerWaalsContact O-N 3.14Å; D475-V524 HydrophobicContact CB-CG1 4.05Å; D475-V524 WeakPolarHBondContact CB-O 3.25Å; D475-V524 VanDerWaalsContact CG-O 3.28Å; D475-V524 WeakPolarHBondContact O-CG1 3.36Å; D475-G526 PolarHBondContact OD2-N 3.47Å; D475-K527 PolarHBondContact OD1-N 2.74Å; D475-L528 PolarHBondContact OD1-N 3Å; D475-L528 VanDerWaalsContact OD1-N 3.1Å |
| 476 | L | 84.3 | Confident | 79.8 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.4 | -66.3 | 173 | 0 | 0 | 0 | 112.5 | T474 F478 L479 E480 | T474-L476 PolarHBondContact O-N 3.47Å; T474-L476 VanDerWaalsContact O-N 3.09Å; L476-F478 VanDerWaalsContact C-N 3.26Å; L476-F478 PolarHBondContact O-N 3.46Å; L476-L479 WeakPolarHBondContact O-CB 3.36Å; L476-L479 PolarHBondContact O-N 3.12Å; L476-L479 VanDerWaalsContact O-N 3.14Å; L476-E480 WeakPolarHBondContact O-CG 3.32Å; L476-E480 PolarHBondContact O-N 3.1Å |
| 477 | T | 86.1 | Confident | 79.5 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 174.9 | 55 | 0 | 0 | 0 | 0 | 112.5 | T474 R481 | T474-T477 PolarHBondContact N-OG1 3.29Å; T474-T477 PolarHBondContact O-N 2.94Å; T474-T477 PolarHBondContact O-OG1 3.08Å; T474-T477 WeakPolarHBondContact OG1-CG2 3.31Å; T474-T477 PolarHBondContact OG1-OG1 3.37Å; T477-R481 WeakPolarHBondContact O-CG 3.46Å; T477-R481 PolarHBondContact O-N 2.93Å; T477-R481 VanDerWaalsContact O-N 3.15Å |
| 478 | F | 86.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 171.6 | 164.8 | -110.4 | 0 | 0 | 0 | 111.9 | I459 I462 L463 E466 T474 D475 L476 R481 L482 V524 K527 L528 | I459-F478 HydrophobicContact CG2-CZ 4.2Å; I462-F478 HydrophobicContact CB-CE2 4.25Å; I462-F478 HydrophobicContact CG2-CD2 3.93Å; I462-F478 HydrophobicContact CG2-CE2 3.86Å; L463-F478 HydrophobicContact CB-CD2 4.46Å; L463-F478 HydrophobicContact CB-CE2 3.74Å; L463-F478 HydrophobicContact CB-CZ 4.05Å; L463-F478 HydrophobicContact CD1-CD1 4.11Å; L463-F478 HydrophobicContact CD1-CD2 4.04Å; L463-F478 HydrophobicContact CD1-CE1 3.87Å; L463-F478 HydrophobicContact CD1-CE2 3.79Å; L463-F478 HydrophobicContact CD1-CG 4.2Å; L463-F478 HydrophobicContact CD1-CZ 3.68Å; L463-F478 HydrophobicContact CG-CE2 4.38Å; L463-F478 HydrophobicContact CG-CZ 4.41Å; E466-F478 HydrophobicContact CB-CB 4.47Å; E466-F478 HydrophobicContact CG-CB 4.24Å; E466-F478 HydrophobicContact CG-CD2 4.3Å; T474-F478 PolarHBondContact O-N 3.49Å; D475-F478 WeakPolarHBondContact O-CB 3.32Å; D475-F478 PolarHBondContact O-N 3.39Å; L476-F478 VanDerWaalsContact C-N 3.26Å; L476-F478 PolarHBondContact O-N 3.46Å; F478-R481 PolarHBondContact O-N 3.05Å; F478-L482 HydrophobicContact CD1-CD1 4.26Å; F478-L482 HydrophobicContact CD2-CG 4.32Å; F478-L482 HydrophobicContact CE1-CD1 3.59Å; F478-L482 HydrophobicContact CE1-CG 4.33Å; F478-L482 HydrophobicContact CE2-CD1 3.94Å; F478-L482 HydrophobicContact CE2-CD2 3.98Å; F478-L482 HydrophobicContact CE2-CG 3.82Å; F478-L482 HydrophobicContact CZ-CD1 3.41Å; F478-L482 VanDerWaalsContact CZ-CD1 3.41Å; F478-L482 HydrophobicContact CZ-CD2 4.09Å; F478-L482 HydrophobicContact CZ-CG 3.84Å; F478-L482 WeakPolarHBondContact O-CG 3.48Å; F478-L482 PolarHBondContact O-N 3.39Å; F478-V524 HydrophobicContact CD1-CG1 3.46Å; F478-V524 VanDerWaalsContact CD1-CG1 3.46Å; F478-V524 HydrophobicContact CE1-CG1 3.97Å; F478-K527 HydrophobicContact CE1-CD 4.32Å; F478-L528 HydrophobicContact CB-CD2 4.49Å |
| 479 | L | 86.6 | Confident | 80.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.3 | -174.1 | 61.5 | 0 | 0 | 0 | 112.3 | D475 L476 R481 L482 E483 T494 R508 F511 V524 | D475-L479 PolarHBondContact O-N 3.24Å; D475-L479 VanDerWaalsContact O-N 3.14Å; L476-L479 WeakPolarHBondContact O-CB 3.36Å; L476-L479 PolarHBondContact O-N 3.12Å; L476-L479 VanDerWaalsContact O-N 3.14Å; L479-R481 VanDerWaalsContact C-N 3.34Å; L479-R481 PolarHBondContact O-N 3.32Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 3.2Å; L479-E483 WeakPolarHBondContact O-CG 3.49Å; L479-E483 PolarHBondContact O-N 3.07Å; L479-T494 HydrophobicContact CD1-CG2 4.26Å; L479-R508 WeakPolarHBondContact CD2-O 3.4Å; L479-F511 HydrophobicContact CD1-CB 4Å; L479-F511 HydrophobicContact CD1-CD1 4.38Å; L479-V524 HydrophobicContact CB-CG1 4.43Å; L479-V524 HydrophobicContact CB-CG2 4.3Å; L479-V524 HydrophobicContact CD1-CG2 3.85Å; L479-V524 HydrophobicContact CD2-CG2 4.41Å; L479-V524 HydrophobicContact CG-CG2 4.41Å |
| 480 | E | 86.7 | Confident | 80.7 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.8 | -69.9 | 178 | 159.1 | 0 | 0 | 111.9 | L476 L482 E483 E484 | L476-E480 WeakPolarHBondContact O-CG 3.32Å; L476-E480 PolarHBondContact O-N 3.1Å; E480-L482 VanDerWaalsContact C-N 3.34Å; E480-L482 PolarHBondContact O-N 3.42Å; E480-E483 WeakPolarHBondContact O-CB 3.46Å; E480-E483 PolarHBondContact O-N 2.89Å; E480-E484 WeakPolarHBondContact O-CG 3.46Å; E480-E484 PolarHBondContact O-N 3.05Å |
| 481 | R | 86.1 | Confident | 81.9 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 174.8 | -79.5 | -85.9 | -178.1 | 113.1 | -11.9 | 113 | I462 E466 T477 F478 L479 K485 | I462-R481 HydrophobicContact CG2-CB 4.07Å; E466-R481 WeakPolarHBondContact OE1-CG 3.37Å; E466-R481 IonicContact OE1-CZ 3.65Å; E466-R481 VanDerWaalsContact OE1-CZ 3.28Å; E466-R481 IonicContact OE1-NE 2.86Å; E466-R481 IonicContact OE1-NH1 3.21Å; E466-R481 PolarHBondContact OE1-NH1 2.97Å; T477-R481 WeakPolarHBondContact O-CG 3.46Å; T477-R481 PolarHBondContact O-N 2.93Å; T477-R481 VanDerWaalsContact O-N 3.15Å; F478-R481 PolarHBondContact O-N 3.05Å; L479-R481 VanDerWaalsContact C-N 3.34Å; L479-R481 PolarHBondContact O-N 3.32Å; R481-K485 PolarHBondContact O-N 3.32Å; R481-K485 VanDerWaalsContact O-N 3.1Å |
| 482 | L | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 172.9 | -73.8 | 177.9 | 0 | 0 | 0 | 111.1 | I459 I462 F478 L479 E480 E484 K485 M486 F492 F511 | I459-L482 HydrophobicContact CB-CD2 4.39Å; I459-L482 HydrophobicContact CG1-CD2 4.1Å; I459-L482 HydrophobicContact CG2-CD2 4.19Å; I462-L482 HydrophobicContact CB-CD2 4.24Å; I462-L482 HydrophobicContact CD1-CD2 3.76Å; I462-L482 HydrophobicContact CG2-CD2 4.11Å; F478-L482 HydrophobicContact CD1-CD1 4.26Å; F478-L482 HydrophobicContact CD2-CG 4.32Å; F478-L482 HydrophobicContact CE1-CD1 3.59Å; F478-L482 HydrophobicContact CE1-CG 4.33Å; F478-L482 HydrophobicContact CE2-CD1 3.94Å; F478-L482 HydrophobicContact CE2-CD2 3.98Å; F478-L482 HydrophobicContact CE2-CG 3.82Å; F478-L482 HydrophobicContact CZ-CD1 3.41Å; F478-L482 VanDerWaalsContact CZ-CD1 3.41Å; F478-L482 HydrophobicContact CZ-CD2 4.09Å; F478-L482 HydrophobicContact CZ-CG 3.84Å; F478-L482 WeakPolarHBondContact O-CG 3.48Å; F478-L482 PolarHBondContact O-N 3.39Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 3.2Å; E480-L482 VanDerWaalsContact C-N 3.34Å; E480-L482 PolarHBondContact O-N 3.42Å; L482-E484 PolarHBondContact O-N 3.21Å; L482-K485 PolarHBondContact O-N 2.98Å; L482-M486 WeakPolarHBondContact O-CA 3.37Å; L482-M486 VanDerWaalsContact O-CB 3.26Å; L482-M486 WeakPolarHBondContact O-CB 3.37Å; L482-M486 PolarHBondContact O-N 3.36Å; L482-F492 HydrophobicContact CB-CZ 3.87Å; L482-F511 HydrophobicContact CD1-CD1 4.31Å; L482-F511 HydrophobicContact CD1-CE1 4.38Å |
| 483 | E | 86.3 | Confident | 83.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 177.3 | -69.7 | 177.6 | 149 | 0 | 0 | 112 | L479 E480 G487 T494 K496 | L479-E483 WeakPolarHBondContact O-CG 3.49Å; L479-E483 PolarHBondContact O-N 3.07Å; E480-E483 WeakPolarHBondContact O-CB 3.46Å; E480-E483 PolarHBondContact O-N 2.89Å; E483-G487 WeakPolarHBondContact O-CA 3.49Å; E483-G487 PolarHBondContact O-N 3.29Å; E483-T494 HydrophobicContact CG-CG2 3.75Å; E483-T494 VanDerWaalsContact OE1-CB 3.32Å; E483-T494 WeakPolarHBondContact OE1-CB 3.34Å; E483-T494 PolarHBondContact OE1-OG1 3.46Å; E483-K496 VanDerWaalsContact OE2-CD 3.25Å; E483-K496 WeakPolarHBondContact OE2-CD 3.23Å; E483-K496 VanDerWaalsContact OE2-CE 3.27Å; E483-K496 WeakPolarHBondContact OE2-CE 3.32Å; E483-K496 IonicContact OE2-NZ 2.73Å; E483-K496 PolarHBondContact OE2-NZ 2.99Å |
| 484 | E | 85.6 | Confident | 84.6 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 72% | 0.715 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 178.1 | -73.1 | 177.2 | 175.3 | 0 | 0 | 113 | E480 L482 | E480-E484 WeakPolarHBondContact O-CG 3.46Å; E480-E484 PolarHBondContact O-N 3.05Å; L482-E484 PolarHBondContact O-N 3.21Å |
| 485 | K | 84.3 | Confident | 84.5 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -82.1 | -33.6 | -175.8 | -74.9 | -176.2 | 176.4 | -177.1 | 0 | 113.1 | H456 I462 E465 R481 L482 | H456-K485 PolarHBondContact O-NZ 3.47Å; I462-K485 HydrophobicContact CD1-CB 3.97Å; I462-K485 HydrophobicContact CD1-CD 3.56Å; I462-K485 HydrophobicContact CD1-CG 4.37Å; I462-K485 HydrophobicContact CG1-CD 3.76Å; E465-K485 IonicContact OE1-NZ 2.65Å; E465-K485 IonicContact OE2-NZ 3.07Å; E465-K485 PolarHBondContact OE2-NZ 2.88Å; R481-K485 PolarHBondContact O-N 3.32Å; R481-K485 VanDerWaalsContact O-N 3.1Å; L482-K485 PolarHBondContact O-N 2.98Å |
| 486 | M | 82.8 | Confident | 84 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -121.4 | -0.8 | -165.5 | -57.4 | -72.2 | -121.8 | 0 | 0 | 114.7 | L451 R457 I459 I462 L482 N488 H489 F492 | L451-M486 HydrophobicContact CD1-CE 3.19Å; L451-M486 HydrophobicContact CD1-SD 3.68Å; L451-M486 HydrophobicContact CG-CE 3.78Å; L451-M486 WeakPolarHBondContact O-CE 3.5Å; R457-M486 WeakPolarHBondContact O-CE 3.43Å; I459-M486 HydrophobicContact CG1-CE 4.1Å; I462-M486 HydrophobicContact CD1-CG 4.3Å; L482-M486 WeakPolarHBondContact O-CA 3.37Å; L482-M486 VanDerWaalsContact O-CB 3.26Å; L482-M486 WeakPolarHBondContact O-CB 3.37Å; L482-M486 PolarHBondContact O-N 3.36Å; M486-N488 PolarHBondContact O-N 3.42Å; M486-H489 WeakPolarHBondContact O-CB 3.4Å; M486-H489 PolarHBondContact O-N 3.48Å; M486-F492 HydrophobicContact CB-CD1 3.96Å; M486-F492 HydrophobicContact CB-CE1 4.17Å; M486-F492 HydrophobicContact CB-CG 4.31Å; M486-F492 WeakPolarHBondContact O-CD1 3.48Å |
| 487 | G | 77.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 56 Ų | 56 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E483 L497 | E483-G487 WeakPolarHBondContact O-CA 3.49Å; E483-G487 PolarHBondContact O-N 3.29Å; G487-L497 VanDerWaalsContact CA-CD1 3.41Å |
| 488 | N | 81.8 | Confident | 82.8 | Confident | 169 Ų | 169 | 54.5 Ų | 54.5 | 90% | 0.904 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1.4 | 177.7 | -67.9 | -21.5 | 0 | 0 | 0 | 113.7 | M486 | M486-N488 PolarHBondContact O-N 3.42Š|
| 489 | H | 85.4 | Confident | 82.2 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | trans | -80.2 | 131.4 | -174.2 | -168.9 | -89.2 | 0 | 0 | 0 | 111.8 | I447 L451 M486 H491 F492 | I447-H489 WeakPolarHBondContact CG2-NE2 3.44Å; L451-H489 HydrophobicContact CD1-CB 4.01Å; M486-H489 WeakPolarHBondContact O-CB 3.4Å; M486-H489 PolarHBondContact O-N 3.48Å; H489-H491 AromaticContact CE1-CD2 3.88Å; H489-H491 PolarHBondContact ND1-N 3.12Å; H489-H491 VanDerWaalsContact ND1-N 3.17Å; H489-H491 PolarHBondContact O-N 3.32Å; H489-H491 VanDerWaalsContact O-N 3.07Å; H489-F492 HydrophobicContact CB-CB 4.21Å; H489-F492 PolarHBondContact O-N 3.34Å | ||
| 490 | P | 83.9 | Confident | 81.2 | Confident | 97 Ų | 97 | 69 Ų | 69 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.9 | -173.4 | 22.6 | -33 | 0 | 0 | 0 | 114.4 | L514 | P490-L514 WeakPolarHBondContact O-CD1 3.42Š|
| 491 | H | 85.2 | Confident | 80.1 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 7.1 | 178.9 | -66.6 | -92 | 0 | 0 | 0 | 114.9 | F443 I448 L451 H489 L513 L514 | F443-H491 AromaticContact CZ-CE1 3.89Å; I448-H491 HydrophobicContact CG1-CB 4.34Å; L451-H491 HydrophobicContact CD2-CB 4.46Å; H489-H491 AromaticContact CE1-CD2 3.88Å; H489-H491 PolarHBondContact ND1-N 3.12Å; H489-H491 VanDerWaalsContact ND1-N 3.17Å; H489-H491 PolarHBondContact O-N 3.32Å; H489-H491 VanDerWaalsContact O-N 3.07Å; H491-L513 WeakPolarHBondContact O-CA 3.21Å; H491-L514 HydrophobicContact CB-CB 4.05Å; H491-L514 PolarHBondContact ND1-O 3.39Å; H491-L514 PolarHBondContact O-N 3.42Å |
| 492 | F | 88.4 | Confident | 79.2 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.2 | -177.7 | -179.3 | -103.8 | 0 | 0 | 0 | 111 | L451 L482 M486 H489 T494 F511 L513 | L451-F492 HydrophobicContact CD2-CB 4.41Å; L482-F492 HydrophobicContact CB-CZ 3.87Å; M486-F492 HydrophobicContact CB-CD1 3.96Å; M486-F492 HydrophobicContact CB-CE1 4.17Å; M486-F492 HydrophobicContact CB-CG 4.31Å; M486-F492 WeakPolarHBondContact O-CD1 3.48Å; H489-F492 HydrophobicContact CB-CB 4.21Å; H489-F492 PolarHBondContact O-N 3.34Å; F492-T494 HydrophobicContact CD1-CG2 4.42Å; F492-T494 HydrophobicContact CE1-CG2 3.48Å; F492-T494 VanDerWaalsContact CE1-CG2 3.48Å; F492-T494 HydrophobicContact CE2-CG2 4.34Å; F492-T494 HydrophobicContact CZ-CG2 3.42Å; F492-T494 VanDerWaalsContact CZ-CG2 3.42Å; F492-F511 HydrophobicContact CD2-CD2 4.36Å; F492-F511 HydrophobicContact CE2-CB 3.76Å; F492-F511 AromaticContact CE2-CD2 3.8Å; F492-F511 HydrophobicContact CE2-CD2 3.8Å; F492-F511 AromaticContact CE2-CG 3.99Å; F492-F511 HydrophobicContact CE2-CG 3.99Å; F492-F511 HydrophobicContact CZ-CB 4.09Å; F492-L513 HydrophobicContact CB-CD2 4.46Å; F492-L513 HydrophobicContact CD2-CD2 3.75Å |
| 493 | V | 86.2 | Confident | 78.5 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.2 | -178.2 | -179 | 0 | 0 | 0 | 0 | 110 | A498 L506 R512 | V493-A498 HydrophobicContact CG1-CB 3.87Å; V493-L506 HydrophobicContact CG1-CD1 4.26Å; V493-R512 HydrophobicContact CB-CB 4.32Å; V493-R512 PolarHBondContact N-O 3.15Å; V493-R512 PolarHBondContact O-N 3.37Å |
| 494 | T | 83.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 169.1 | 171.9 | 71 | 0 | 0 | 0 | 0 | 111.2 | L479 E483 F492 K496 L497 A498 F511 | L479-T494 HydrophobicContact CD1-CG2 4.26Å; E483-T494 HydrophobicContact CG-CG2 3.75Å; E483-T494 VanDerWaalsContact OE1-CB 3.32Å; E483-T494 WeakPolarHBondContact OE1-CB 3.34Å; E483-T494 PolarHBondContact OE1-OG1 3.46Å; F492-T494 HydrophobicContact CD1-CG2 4.42Å; F492-T494 HydrophobicContact CE1-CG2 3.48Å; F492-T494 VanDerWaalsContact CE1-CG2 3.48Å; F492-T494 HydrophobicContact CE2-CG2 4.34Å; F492-T494 HydrophobicContact CZ-CG2 3.42Å; F492-T494 VanDerWaalsContact CZ-CG2 3.42Å; T494-K496 PolarHBondContact O-N 3.44Å; T494-L497 PolarHBondContact O-N 3.27Å; T494-L497 VanDerWaalsContact O-N 3.09Å; T494-A498 VanDerWaalsContact O-CB 3.25Å; T494-A498 WeakPolarHBondContact O-CB 3.43Å; T494-A498 PolarHBondContact O-N 3.18Å; T494-F511 HydrophobicContact CG2-CB 4.07Å |
| 495 | H | 77.8 | Confident | 76.9 | Confident | 52 Ų | 52 | 78 Ų | 78 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.1 | 177 | 179.1 | -86.6 | 0 | 0 | 0 | 112.9 | R503 L506 | H495-R503 WeakPolarHBondContact O-CG 3.45Å; H495-R503 PolarHBondContact O-NE 2.94Å; H495-L506 PolarHBondContact CD2-O 3Å |
| 496 | K | 72.9 | Confident | 76.5 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -40.9 | 176.7 | -66.5 | -171.7 | -164.5 | 152.3 | 0 | 112.1 | E483 T494 R503 | E483-K496 VanDerWaalsContact OE2-CD 3.25Å; E483-K496 WeakPolarHBondContact OE2-CD 3.23Å; E483-K496 VanDerWaalsContact OE2-CE 3.27Å; E483-K496 WeakPolarHBondContact OE2-CE 3.32Å; E483-K496 IonicContact OE2-NZ 2.73Å; E483-K496 PolarHBondContact OE2-NZ 2.99Å; T494-K496 PolarHBondContact O-N 3.44Å; K496-R503 PolarHBondContact O-NH2 3.39Å |
| 497 | L | 72.3 | Confident | 76.3 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16.2 | -174.5 | -61.5 | 166.2 | 0 | 0 | 0 | 113.9 | G487 T494 | G487-L497 VanDerWaalsContact CA-CD1 3.41Å; T494-L497 PolarHBondContact O-N 3.27Å; T494-L497 VanDerWaalsContact O-N 3.09Å |
| 498 | A | 71.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 89.5 Ų | 89.5 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -73.8 | 150.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V493 T494 R503 L506 | V493-A498 HydrophobicContact CG1-CB 3.87Å; T494-A498 VanDerWaalsContact O-CB 3.25Å; T494-A498 WeakPolarHBondContact O-CB 3.43Å; T494-A498 PolarHBondContact O-N 3.18Å; A498-R503 HydrophobicContact CB-CG 3.92Å; A498-R503 PolarHBondContact O-NE 2.87Å; A498-R503 PolarHBondContact O-NH2 3.11Å; A498-L506 HydrophobicContact CB-CD1 4.24Å |
| 499 | D | 74.1 | Confident | 76 | Confident | 128 Ų | 128 | 82.2 Ų | 82.2 | 68% | 0.684 | 40% | 0.396 | S | S | * | . | trans | -65.8 | 163.1 | 171.2 | -71.9 | -35.5 | 0 | 0 | 0 | 112.7 | M501 T502 R503 | D499-M501 PolarHBondContact O-N 3.06Å; D499-T502 PolarHBondContact N-OG1 2.75Å; D499-T502 PolarHBondContact O-N 3.02Å; D499-T502 VanDerWaalsContact O-N 3.13Å; D499-T502 PolarHBondContact O-OG1 3.22Å; D499-R503 WeakPolarHBondContact O-CG 3.48Å; D499-R503 PolarHBondContact O-N 3.16Å | ||
| 500 | K | 67.3 | Low | 76 | Confident | 184 Ų | 184 | 80.8 Ų | 80.8 | 80% | 0.8 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.1 | -178.2 | -78.7 | -176.6 | 178.9 | 177 | 0 | 114.4 | ||
| 501 | M | 62.3 | Low | 76.3 | Confident | 146 Ų | 146 | 76.2 Ų | 76.2 | 72% | 0.719 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -46.1 | 178 | -74.3 | -94.4 | 115.8 | 0 | 0 | 111.7 | D499 K504 | D499-M501 PolarHBondContact O-N 3.06Å; M501-K504 WeakPolarHBondContact O-CB 3.4Å; M501-K504 PolarHBondContact O-N 2.52Å |
| 502 | T | 68 | Low | 76.5 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -70.9 | -30.4 | -179.3 | 19.9 | 0 | 0 | 0 | 0 | 112.6 | D499 K504 T505 L506 | D499-T502 PolarHBondContact N-OG1 2.75Å; D499-T502 PolarHBondContact O-N 3.02Å; D499-T502 VanDerWaalsContact O-N 3.13Å; D499-T502 PolarHBondContact O-OG1 3.22Å; T502-K504 PolarHBondContact O-N 3.31Å; T502-T505 PolarHBondContact O-N 3.06Å; T502-T505 PolarHBondContact O-OG1 2.9Å; T502-L506 PolarHBondContact O-N 3.46Å |
| 503 | R | 70.4 | Confident | 76.6 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -58 | -24 | 171.3 | -78.3 | -176.7 | -177.5 | 157.9 | 7.3 | 114.4 | H495 K496 A498 D499 T505 | H495-R503 WeakPolarHBondContact O-CG 3.45Å; H495-R503 PolarHBondContact O-NE 2.94Å; K496-R503 PolarHBondContact O-NH2 3.39Å; A498-R503 HydrophobicContact CB-CG 3.92Å; A498-R503 PolarHBondContact O-NE 2.87Å; A498-R503 PolarHBondContact O-NH2 3.11Å; D499-R503 WeakPolarHBondContact O-CG 3.48Å; D499-R503 PolarHBondContact O-N 3.16Å; R503-T505 PolarHBondContact O-N 3.47Å |
| 504 | K | 69.6 | Low | 76.5 | Confident | 171 Ų | 171 | 76.1 Ų | 76.1 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -72.5 | -16.5 | 175.5 | -66.9 | -173.7 | 178.3 | -176 | 0 | 113.4 | M501 T502 | M501-K504 WeakPolarHBondContact O-CB 3.4Å; M501-K504 PolarHBondContact O-N 2.52Å; T502-K504 PolarHBondContact O-N 3.31Å |
| 505 | T | 70.1 | Confident | 76.6 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.534 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -113.3 | 0.2 | -174.5 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | T502 R503 R512 | T502-T505 PolarHBondContact O-N 3.06Å; T502-T505 PolarHBondContact O-OG1 2.9Å; R503-T505 PolarHBondContact O-N 3.47Å; T505-R512 PolarHBondContact O-NH2 3.27Å; T505-R512 PolarHBondContact OG1-NH2 3.39Å |
| 506 | L | 76.4 | Confident | 76.6 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | trans | -123.1 | 128.6 | -175 | -96.5 | 147.4 | 0 | 0 | 0 | 108.4 | V493 H495 A498 T502 D510 R512 T521 | V493-L506 HydrophobicContact CG1-CD1 4.26Å; H495-L506 PolarHBondContact CD2-O 3Å; A498-L506 HydrophobicContact CB-CD1 4.24Å; T502-L506 PolarHBondContact O-N 3.46Å; L506-D510 HydrophobicContact CD2-CB 3.97Å; L506-R512 HydrophobicContact CD1-CB 4.46Å; L506-R512 HydrophobicContact CD2-CB 4.12Å; L506-T521 HydrophobicContact CD2-CG2 3.79Å; L506-T521 HydrophobicContact CG-CG2 4.44Å | ||
| 507 | E | 77.4 | Confident | 76.4 | Confident | 143 Ų | 143 | 70.6 Ų | 70.6 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | trans | -86.3 | 165.6 | 173.7 | -58.7 | -168.1 | 169.3 | 0 | 0 | 111.5 | G509 D510 | E507-G509 PolarHBondContact O-N 3.06Å; E507-D510 WeakPolarHBondContact CB-OD2 3.45Å; E507-D510 PolarHBondContact N-OD2 2.73Å; E507-D510 PolarHBondContact O-N 3.42Å | ||
| 508 | R | 74 | Confident | 76.6 | Confident | 210 Ų | 210 | 68 Ų | 68 | 79% | 0.792 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.6 | -179 | -72.2 | -174.7 | 178.8 | -172.9 | 0.3 | 113.5 | L479 | L479-R508 WeakPolarHBondContact CD2-O 3.4Š|
| 509 | G | 78.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 73 Ų | 73 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 13.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E507 V524 | E507-G509 PolarHBondContact O-N 3.06Å; G509-V524 VanDerWaalsContact O-CB 3.25Å; G509-V524 WeakPolarHBondContact O-CB 3.32Å; G509-V524 WeakPolarHBondContact O-CG2 3.39Å; G509-V524 PolarHBondContact O-N 3.38Å |
| 510 | D | 86.7 | Confident | 77.8 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.5 | -173.6 | -65 | -18.6 | 0 | 0 | 0 | 112.7 | L506 E507 T521 Y522 C523 | L506-D510 HydrophobicContact CD2-CB 3.97Å; E507-D510 WeakPolarHBondContact CB-OD2 3.45Å; E507-D510 PolarHBondContact N-OD2 2.73Å; E507-D510 PolarHBondContact O-N 3.42Å; D510-T521 HydrophobicContact CB-CG2 3.73Å; D510-Y522 WeakPolarHBondContact CA-O 3.36Å; D510-C523 VanDerWaalsContact OD1-CA 3.29Å; D510-C523 WeakPolarHBondContact OD1-CA 3.03Å |
| 511 | F | 89.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.1 | 162.8 | 70.2 | -89 | 0 | 0 | 0 | 110.7 | F405 L479 L482 F492 T494 L513 Y522 V524 K527 | F405-F511 HydrophobicContact CD2-CZ 4.38Å; L479-F511 HydrophobicContact CD1-CB 4Å; L479-F511 HydrophobicContact CD1-CD1 4.38Å; L482-F511 HydrophobicContact CD1-CD1 4.31Å; L482-F511 HydrophobicContact CD1-CE1 4.38Å; F492-F511 HydrophobicContact CD2-CD2 4.36Å; F492-F511 HydrophobicContact CE2-CB 3.76Å; F492-F511 AromaticContact CE2-CD2 3.8Å; F492-F511 HydrophobicContact CE2-CD2 3.8Å; F492-F511 AromaticContact CE2-CG 3.99Å; F492-F511 HydrophobicContact CE2-CG 3.99Å; F492-F511 HydrophobicContact CZ-CB 4.09Å; T494-F511 HydrophobicContact CG2-CB 4.07Å; F511-L513 HydrophobicContact CD2-CD2 4.45Å; F511-L513 HydrophobicContact CD2-CG 4.02Å; F511-L513 HydrophobicContact CE2-CD1 3.85Å; F511-L513 HydrophobicContact CE2-CD2 4.5Å; F511-L513 HydrophobicContact CE2-CG 3.86Å; F511-Y522 HydrophobicContact CD2-CD2 4.18Å; F511-Y522 AromaticContact CE2-CD2 3.65Å; F511-Y522 HydrophobicContact CE2-CD2 3.65Å; F511-Y522 HydrophobicContact CE2-CG 4.18Å; F511-Y522 HydrophobicContact CZ-CD2 4.11Å; F511-Y522 HydrophobicContact CZ-CG 4.18Å; F511-Y522 PolarHBondContact N-O 3.28Å; F511-Y522 PolarHBondContact O-N 3.3Å; F511-V524 HydrophobicContact CD1-CG2 3.52Å; F511-V524 HydrophobicContact CE1-CG2 3.93Å; F511-K527 HydrophobicContact CE1-CD 4.3Å; F511-K527 VanDerWaalsContact CE1-NZ 3.27Å |
| 512 | R | 89.2 | Confident | 80.1 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.6 | 179.4 | -179.2 | 176 | -65.7 | -179.2 | 9.3 | 110.4 | V493 T505 L506 E519 V520 T521 | V493-R512 HydrophobicContact CB-CB 4.32Å; V493-R512 PolarHBondContact N-O 3.15Å; V493-R512 PolarHBondContact O-N 3.37Å; T505-R512 PolarHBondContact O-NH2 3.27Å; T505-R512 PolarHBondContact OG1-NH2 3.39Å; L506-R512 HydrophobicContact CD1-CB 4.46Å; L506-R512 HydrophobicContact CD2-CB 4.12Å; R512-E519 WeakPolarHBondContact CD-OE2 3.47Å; R512-E519 HydrophobicContact CG-CB 4.4Å; R512-E519 IonicContact CZ-OE2 3.86Å; R512-E519 IonicContact NE-OE2 2.77Å; R512-E519 IonicContact NH1-OE2 2.67Å; R512-E519 PolarHBondContact NH1-OE2 3.46Å; R512-V520 VanDerWaalsContact CA-O 3.28Å; R512-V520 WeakPolarHBondContact CA-O 3.21Å; R512-T521 PolarHBondContact NE-OG1 3.11Å; R512-T521 PolarHBondContact NH2-OG1 3.25Å |
| 513 | L | 89.7 | Confident | 81 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.1 | 171.9 | -66.6 | 176.3 | 0 | 0 | 0 | 110.5 | F405 L451 I459 H491 F492 F511 H515 V520 Y522 | F405-L513 HydrophobicContact CD2-CD1 4.17Å; F405-L513 HydrophobicContact CE2-CD1 3.86Å; L451-L513 HydrophobicContact CD2-CD2 3.68Å; I459-L513 HydrophobicContact CD1-CD1 4Å; I459-L513 HydrophobicContact CD1-CD2 4.05Å; H491-L513 WeakPolarHBondContact O-CA 3.21Å; F492-L513 HydrophobicContact CB-CD2 4.46Å; F492-L513 HydrophobicContact CD2-CD2 3.75Å; F511-L513 HydrophobicContact CD2-CD2 4.45Å; F511-L513 HydrophobicContact CD2-CG 4.02Å; F511-L513 HydrophobicContact CE2-CD1 3.85Å; F511-L513 HydrophobicContact CE2-CD2 4.5Å; F511-L513 HydrophobicContact CE2-CG 3.86Å; L513-H515 PolarHBondContact O-N 2.85Å; L513-V520 PolarHBondContact N-O 3.12Å; L513-V520 PolarHBondContact O-N 3.28Å; L513-Y522 HydrophobicContact CB-CE2 4.06Å; L513-Y522 HydrophobicContact CD1-CD2 4.3Å; L513-Y522 HydrophobicContact CD1-CE2 3.85Å; L513-Y522 HydrophobicContact CG-CD2 4.38Å; L513-Y522 HydrophobicContact CG-CE2 4.13Å |
| 514 | L | 86.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 88.1 | 173.2 | -72.3 | 156.8 | 0 | 0 | 0 | 108.9 | I448 P490 H491 E519 | I448-L514 VanDerWaalsContact CD1-O 3.29Å; I448-L514 WeakPolarHBondContact CD1-O 3.4Å; P490-L514 WeakPolarHBondContact O-CD1 3.42Å; H491-L514 HydrophobicContact CB-CB 4.05Å; H491-L514 PolarHBondContact ND1-O 3.39Å; H491-L514 PolarHBondContact O-N 3.42Å; L514-E519 HydrophobicContact CD2-CG 3.26Å; L514-E519 HydrophobicContact CG-CG 4.25Å |
| 515 | H | 84.8 | Confident | 82.2 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 166.6 | 176.4 | -71.6 | -83.9 | 0 | 0 | 0 | 111.8 | F394 E412 L513 A517 G518 Y522 | F394-H515 HydrophobicContact CE2-CB 3.89Å; F394-H515 AromaticContact CE2-CG 3.94Å; F394-H515 HydrophobicContact CZ-CB 3.66Å; F394-H515 AromaticContact CZ-CG 3.79Å; E412-H515 WeakPolarHBondContact OE2-CB 3.4Å; E412-H515 IonicContact OE2-CG 3.57Å; E412-H515 IonicContact OE2-ND1 3Å; E412-H515 PolarHBondContact OE2-ND1 3.31Å; L513-H515 PolarHBondContact O-N 2.85Å; H515-A517 PolarHBondContact O-N 2.93Å; H515-G518 WeakPolarHBondContact CB-O 3.48Å; H515-G518 PolarHBondContact N-O 3.02Å; H515-G518 PolarHBondContact O-N 3.48Å; H515-G518 VanDerWaalsContact O-N 3.14Å; H515-Y522 AromaticContact NE2-CE2 3.62Å; H515-Y522 AromaticContact NE2-CZ 3.66Å; H515-Y522 PolarHBondContact NE2-OH 3Å |
| 516 | Y | 76.3 | Confident | 82.4 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.6 | 171.9 | 78.1 | -69.6 | 0 | 0 | 0 | 113.2 | F394 E412 Q415 Y617 | F394-Y516 HydrophobicContact CD2-CE1 4.04Å; F394-Y516 HydrophobicContact CE2-CE1 4.2Å; E412-Y516 VanDerWaalsContact CD-CD1 3.45Å; E412-Y516 WeakPolarHBondContact OE1-CB 3.36Å; E412-Y516 VanDerWaalsContact OE1-CD1 3.23Å; E412-Y516 WeakPolarHBondContact OE1-CD1 3.32Å; E412-Y516 PolarHBondContact OE1-N 3.09Å; E412-Y516 WeakPolarHBondContact OE2-CD1 3.45Å; Q415-Y516 HydrophobicContact CB-CE2 4.13Å; Q415-Y516 HydrophobicContact CG-CD2 3.9Å; Q415-Y516 HydrophobicContact CG-CE2 3.71Å; Q415-Y516 HydrophobicContact CG-CG 4.5Å; Y516-Y617 WeakPolarHBondContact CD2-O 3.21Å; Y516-Y617 WeakPolarHBondContact CE2-O 3.38Å |
| 517 | A | 68.6 | Low | 82.6 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -20.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F394 H515 | F394-A517 HydrophobicContact CD1-CB 3.71Å; F394-A517 HydrophobicContact CD2-CB 3.95Å; F394-A517 HydrophobicContact CE1-CB 3.58Å; F394-A517 HydrophobicContact CE2-CB 3.82Å; F394-A517 HydrophobicContact CG-CB 3.9Å; F394-A517 HydrophobicContact CZ-CB 3.65Å; H515-A517 PolarHBondContact O-N 2.93Å |
| 518 | G | 77 | Confident | 82.6 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 32% | 0.32 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.7 | -173.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H515 | H515-G518 WeakPolarHBondContact CB-O 3.48Å; H515-G518 PolarHBondContact N-O 3.02Å; H515-G518 PolarHBondContact O-N 3.48Å; H515-G518 VanDerWaalsContact O-N 3.14Å |
| 519 | E | 84.4 | Confident | 82.5 | Confident | 108 Ų | 108 | 27.3 Ų | 27.3 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.9 | 178 | -75.8 | 176.7 | -145.2 | 0 | 0 | 111.6 | R512 L514 | R512-E519 WeakPolarHBondContact CD-OE2 3.47Å; R512-E519 HydrophobicContact CG-CB 4.4Å; R512-E519 IonicContact CZ-OE2 3.86Å; R512-E519 IonicContact NE-OE2 2.77Å; R512-E519 IonicContact NH1-OE2 2.67Å; R512-E519 PolarHBondContact NH1-OE2 3.46Å; L514-E519 HydrophobicContact CD2-CG 3.26Å; L514-E519 HydrophobicContact CG-CG 4.25Å |
| 520 | V | 86.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.4 | 174.7 | -171.8 | 0 | 0 | 0 | 0 | 110 | F394 V396 N400 R512 L513 Y522 | F394-V520 HydrophobicContact CE1-CG2 3.71Å; F394-V520 HydrophobicContact CZ-CG2 3.66Å; V396-V520 HydrophobicContact CG2-CG2 3.86Å; N400-V520 HydrophobicContact CB-CG1 4.18Å; R512-V520 VanDerWaalsContact CA-O 3.28Å; R512-V520 WeakPolarHBondContact CA-O 3.21Å; L513-V520 PolarHBondContact N-O 3.12Å; L513-V520 PolarHBondContact O-N 3.28Å; V520-Y522 HydrophobicContact CB-CE2 3.84Å; V520-Y522 HydrophobicContact CG1-CD1 4.28Å; V520-Y522 HydrophobicContact CG1-CD2 4.36Å; V520-Y522 HydrophobicContact CG1-CE1 3.67Å; V520-Y522 HydrophobicContact CG1-CE2 3.78Å; V520-Y522 VanDerWaalsContact CG1-CZ 3.41Å |
| 521 | T | 89.3 | Confident | 81.9 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122 | 177 | -51.8 | 0 | 0 | 0 | 0 | 109.2 | N400 L506 D510 R512 | N400-T521 VanDerWaalsContact CB-O 3.32Å; N400-T521 WeakPolarHBondContact CB-O 3.4Å; N400-T521 PolarHBondContact ND2-O 3.24Å; L506-T521 HydrophobicContact CD2-CG2 3.79Å; L506-T521 HydrophobicContact CG-CG2 4.44Å; D510-T521 HydrophobicContact CB-CG2 3.73Å; R512-T521 PolarHBondContact NE-OG1 3.11Å; R512-T521 PolarHBondContact NH2-OG1 3.25Å |
| 522 | Y | 89.4 | Confident | 81 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.5 | -178.7 | -60.2 | -79.9 | 0 | 0 | 0 | 111.1 | N400 Q404 F405 N408 D510 F511 L513 H515 V520 | N400-Y522 HydrophobicContact CB-CD1 3.64Å; N400-Y522 HydrophobicContact CB-CE1 4Å; N400-Y522 HydrophobicContact CB-CG 4.47Å; N400-Y522 CarbonylContact O-C 3.59Å; N400-Y522 WeakPolarHBondContact O-CA 3.47Å; Q404-Y522 HydrophobicContact CB-CE1 4.16Å; F405-Y522 VanDerWaalsContact CA-CE1 3.49Å; F405-Y522 HydrophobicContact CB-CD1 3.9Å; F405-Y522 HydrophobicContact CB-CE1 3.77Å; F405-Y522 HydrophobicContact CD2-CE2 4.37Å; N408-Y522 WeakPolarHBondContact CB-OH 3.44Å; N408-Y522 PolarHBondContact ND2-OH 3.03Å; D510-Y522 WeakPolarHBondContact CA-O 3.36Å; F511-Y522 HydrophobicContact CD2-CD2 4.18Å; F511-Y522 AromaticContact CE2-CD2 3.65Å; F511-Y522 HydrophobicContact CE2-CD2 3.65Å; F511-Y522 HydrophobicContact CE2-CG 4.18Å; F511-Y522 HydrophobicContact CZ-CD2 4.11Å; F511-Y522 HydrophobicContact CZ-CG 4.18Å; F511-Y522 PolarHBondContact N-O 3.28Å; F511-Y522 PolarHBondContact O-N 3.3Å; L513-Y522 HydrophobicContact CB-CE2 4.06Å; L513-Y522 HydrophobicContact CD1-CD2 4.3Å; L513-Y522 HydrophobicContact CD1-CE2 3.85Å; L513-Y522 HydrophobicContact CG-CD2 4.38Å; L513-Y522 HydrophobicContact CG-CE2 4.13Å; H515-Y522 AromaticContact NE2-CE2 3.62Å; H515-Y522 AromaticContact NE2-CZ 3.66Å; H515-Y522 PolarHBondContact NE2-OH 3Å; V520-Y522 HydrophobicContact CB-CE2 3.84Å; V520-Y522 HydrophobicContact CG1-CD1 4.28Å; V520-Y522 HydrophobicContact CG1-CD2 4.36Å; V520-Y522 HydrophobicContact CG1-CE1 3.67Å; V520-Y522 HydrophobicContact CG1-CE2 3.78Å; V520-Y522 VanDerWaalsContact CG1-CZ 3.41Å |
| 523 | C | 87.4 | Confident | 79.9 | Confident | 27 Ų | 27 | 31.2 Ų | 31.2 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131 | 171.9 | -173 | 0 | 0 | 0 | 0 | 110.1 | V399 N400 D510 K527 | V399-C523 HydrophobicContact CG1-CB 4.12Å; N400-C523 PolarHBondContact O-N 3.42Å; D510-C523 VanDerWaalsContact OD1-CA 3.29Å; D510-C523 WeakPolarHBondContact OD1-CA 3.03Å; C523-K527 WeakPolarHBondContact O-CE 3.47Å |
| 524 | V | 83.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | trans | -83.8 | -20.9 | -178.4 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | D475 F478 L479 G509 F511 G526 K527 | D475-V524 HydrophobicContact CB-CG1 4.05Å; D475-V524 WeakPolarHBondContact CB-O 3.25Å; D475-V524 VanDerWaalsContact CG-O 3.28Å; D475-V524 WeakPolarHBondContact O-CG1 3.36Å; F478-V524 HydrophobicContact CD1-CG1 3.46Å; F478-V524 VanDerWaalsContact CD1-CG1 3.46Å; F478-V524 HydrophobicContact CE1-CG1 3.97Å; L479-V524 HydrophobicContact CB-CG1 4.43Å; L479-V524 HydrophobicContact CB-CG2 4.3Å; L479-V524 HydrophobicContact CD1-CG2 3.85Å; L479-V524 HydrophobicContact CD2-CG2 4.41Å; L479-V524 HydrophobicContact CG-CG2 4.41Å; G509-V524 VanDerWaalsContact O-CB 3.25Å; G509-V524 WeakPolarHBondContact O-CB 3.32Å; G509-V524 WeakPolarHBondContact O-CG2 3.39Å; G509-V524 PolarHBondContact O-N 3.38Å; F511-V524 HydrophobicContact CD1-CG2 3.52Å; F511-V524 HydrophobicContact CE1-CG2 3.93Å; V524-G526 PolarHBondContact O-N 3.2Å; V524-K527 VanDerWaalsContact O-CB 3.3Å; V524-K527 WeakPolarHBondContact O-CB 3.33Å; V524-K527 WeakPolarHBondContact O-CG 3.37Å; V524-K527 PolarHBondContact O-N 2.83Å | ||
| 525 | V | 80.4 | Confident | 78 | Confident | 97 Ų | 97 | 32.6 Ų | 32.6 | 59% | 0.588 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.4 | -178.8 | -175 | 0 | 0 | 0 | 0 | 110.8 | K527 | V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 3.26Å |
| 526 | G | 74.5 | Confident | 77.3 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 7.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D475 V524 K530 | D475-G526 PolarHBondContact OD2-N 3.47Å; V524-G526 PolarHBondContact O-N 3.2Å; G526-K530 WeakPolarHBondContact O-CB 3.38Å; G526-K530 WeakPolarHBondContact O-CD 3.38Å; G526-K530 WeakPolarHBondContact O-CG 3.08Å; G526-K530 PolarHBondContact O-N 3.37Å; G526-K530 VanDerWaalsContact O-N 3.15Å |
| 527 | K | 80.5 | Confident | 77.1 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -39 | -179.4 | -77.9 | -161.6 | 174.8 | -157.3 | 0 | 112.7 | F402 L463 D475 F478 F511 C523 V524 V525 N531 | F402-K527 HydrophobicContact CB-CG 4.29Å; L463-K527 HydrophobicContact CD1-CB 4.32Å; D475-K527 PolarHBondContact OD1-N 2.74Å; F478-K527 HydrophobicContact CE1-CD 4.32Å; F511-K527 HydrophobicContact CE1-CD 4.3Å; F511-K527 VanDerWaalsContact CE1-NZ 3.27Å; C523-K527 WeakPolarHBondContact O-CE 3.47Å; V524-K527 VanDerWaalsContact O-CB 3.3Å; V524-K527 WeakPolarHBondContact O-CB 3.33Å; V524-K527 WeakPolarHBondContact O-CG 3.37Å; V524-K527 PolarHBondContact O-N 2.83Å; V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 3.26Å; K527-N531 WeakPolarHBondContact O-CB 3.29Å; K527-N531 PolarHBondContact O-N 2.77Å |
| 528 | L | 77.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 178.2 | -71.4 | 173.3 | 0 | 0 | 0 | 111.3 | L463 E466 C467 A473 T474 D475 F478 K530 N531 N532 | L463-L528 HydrophobicContact CD1-CD2 3.92Å; E466-L528 HydrophobicContact CB-CD2 3.92Å; C467-L528 VanDerWaalsContact SG-CD2 3.54Å; A473-L528 HydrophobicContact CB-CD1 4.49Å; T474-L528 VanDerWaalsContact C-CD1 3.4Å; D475-L528 PolarHBondContact OD1-N 3Å; D475-L528 VanDerWaalsContact OD1-N 3.1Å; F478-L528 HydrophobicContact CB-CD2 4.49Å; L528-K530 PolarHBondContact O-N 3.32Å; L528-N531 PolarHBondContact O-N 3.48Å; L528-N532 PolarHBondContact O-N 2.95Å; L528-N532 PolarHBondContact O-ND2 3.49Å |
| 529 | D | 72.1 | Confident | 77.5 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 47% | 0.471 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -180 | -62.8 | -27.9 | 0 | 0 | 0 | 111.9 | Y343 N531 N532 | Y343-D529 HydrophobicContact CE2-CB 4.3Å; D529-N531 VanDerWaalsContact C-N 3.31Å; D529-N531 PolarHBondContact O-N 3.26Å; D529-N532 PolarHBondContact O-N 3.44Å |
| 530 | K | 75.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 33.4 Ų | 33.4 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65 | -33.2 | 176.5 | -72.9 | 177.1 | 179.8 | -160.6 | 0 | 112.8 | S401 F402 E403 G526 L528 | S401-K530 PolarHBondContact OG-NZ 2.98Å; F402-K530 HydrophobicContact CB-CB 4.17Å; F402-K530 HydrophobicContact CB-CD 3.75Å; F402-K530 HydrophobicContact CD1-CB 4.01Å; F402-K530 HydrophobicContact CG-CB 4.14Å; E403-K530 VanDerWaalsContact CD-NZ 3.27Å; E403-K530 WeakPolarHBondContact OE1-CD 3.45Å; E403-K530 WeakPolarHBondContact OE1-CE 3.18Å; E403-K530 IonicContact OE1-NZ 2.69Å; E403-K530 PolarHBondContact OE1-NZ 3.39Å; E403-K530 IonicContact OE2-NZ 3.28Å; E403-K530 PolarHBondContact OE2-NZ 3.47Å; G526-K530 WeakPolarHBondContact O-CB 3.38Å; G526-K530 WeakPolarHBondContact O-CD 3.38Å; G526-K530 WeakPolarHBondContact O-CG 3.08Å; G526-K530 PolarHBondContact O-N 3.37Å; G526-K530 VanDerWaalsContact O-N 3.15Å; L528-K530 PolarHBondContact O-N 3.32Å |
| 531 | N | 78.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.7 | -31.7 | 179.5 | -168.5 | 45.5 | 0 | 0 | 0 | 113.1 | F402 L463 D464 C467 K527 L528 D529 V569 A570 | F402-N531 HydrophobicContact CE2-CB 4.35Å; F402-N531 HydrophobicContact CZ-CB 4.45Å; L463-N531 HydrophobicContact CD2-CB 3.82Å; L463-N531 HydrophobicContact CG-CB 4.12Å; D464-N531 PolarHBondContact OD1-ND2 3.01Å; C467-N531 PolarHBondContact SG-ND2 3.06Å; C467-N531 VanDerWaalsContact SG-ND2 3.42Å; K527-N531 WeakPolarHBondContact O-CB 3.29Å; K527-N531 PolarHBondContact O-N 2.77Å; L528-N531 PolarHBondContact O-N 3.48Å; D529-N531 VanDerWaalsContact C-N 3.31Å; D529-N531 PolarHBondContact O-N 3.26Å; N531-V569 PolarHBondContact O-N 2.88Å; N531-A570 WeakPolarHBondContact OD1-CB 3.36Å; N531-A570 PolarHBondContact OD1-N 3.06Å |
| 532 | N | 70.6 | Confident | 76.4 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.8 | -37.5 | -178.2 | -90 | -43.6 | 0 | 0 | 0 | 112.8 | C467 L528 D529 L534 | C467-N532 WeakPolarHBondContact CB-OD1 3.36Å; L528-N532 PolarHBondContact O-N 2.95Å; L528-N532 PolarHBondContact O-ND2 3.49Å; D529-N532 PolarHBondContact O-N 3.44Å; N532-L534 VanDerWaalsContact O-CA 3.31Å; N532-L534 WeakPolarHBondContact O-CA 3.44Å; N532-L534 VanDerWaalsContact O-CB 3.27Å; N532-L534 WeakPolarHBondContact O-CB 3.44Å; N532-L534 PolarHBondContact O-N 2.78Å |
| 533 | D | 66.5 | Low | 76.1 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | trans | 27.4 | 40.1 | 178.9 | -155.1 | 40.3 | 0 | 0 | 0 | 114.8 | K191 K350 L535 V569 | K191-D533 IonicContact NZ-OD2 3.76Å; K191-D533 PolarHBondContact NZ-OD2 2.75Å; K350-D533 IonicContact NZ-OD1 3.24Å; K350-D533 PolarHBondContact NZ-OD1 2.85Å; D533-L535 PolarHBondContact O-N 2.74Å; D533-V569 HydrophobicContact CB-CG2 3.29Å | ||
| 534 | L | 64.6 | Low | 75.8 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | trans | -94.7 | 107.1 | -162.2 | -138.2 | 129.9 | 0 | 0 | 0 | 108.8 | N532 P566 | N532-L534 VanDerWaalsContact O-CA 3.31Å; N532-L534 WeakPolarHBondContact O-CA 3.44Å; N532-L534 VanDerWaalsContact O-CB 3.27Å; N532-L534 WeakPolarHBondContact O-CB 3.44Å; N532-L534 PolarHBondContact O-N 2.78Å; L534-P566 HydrophobicContact CG-CG 4.34Å | ||
| 535 | L | 69.6 | Low | 75.8 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | trans | -75.3 | 127.2 | 168.8 | -151.5 | 85.3 | 0 | 0 | 0 | 109.1 | A347 L348 A351 D533 I539 F555 | A347-L535 HydrophobicContact CB-CD1 4.35Å; L348-L535 HydrophobicContact CB-CD1 4.26Å; L348-L535 HydrophobicContact CD1-CD1 4.31Å; A351-L535 HydrophobicContact CB-CD1 3.83Å; A351-L535 HydrophobicContact CB-CD2 4.47Å; D533-L535 PolarHBondContact O-N 2.74Å; L535-I539 HydrophobicContact CD2-CB 4.39Å; L535-I539 HydrophobicContact CD2-CG2 4.13Å; L535-I539 HydrophobicContact CG-CB 4.47Å; L535-I539 HydrophobicContact CG-CG2 4.4Å; L535-F555 HydrophobicContact CD2-CE1 4.2Å | ||
| 536 | Y | 71.3 | Confident | 76.1 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | trans | -68.1 | 141.6 | 176 | -63.7 | -65.4 | 0 | 0 | 0 | 111.1 | R323 F336 V344 N538 I539 T540 | R323-Y536 HydrophobicContact CG-CD1 4.49Å; R323-Y536 HydrophobicContact CG-CE1 4.39Å; F336-Y536 HydrophobicContact CE1-CD2 4.44Å; F336-Y536 AromaticContact CE1-CE2 3.73Å; F336-Y536 HydrophobicContact CE1-CE2 3.73Å; F336-Y536 HydrophobicContact CE2-CE2 4.48Å; F336-Y536 AromaticContact CZ-CD2 3.73Å; F336-Y536 HydrophobicContact CZ-CD2 3.73Å; F336-Y536 AromaticContact CZ-CE2 3.46Å; F336-Y536 HydrophobicContact CZ-CE2 3.46Å; F336-Y536 VanDerWaalsContact CZ-CE2 3.46Å; V344-Y536 HydrophobicContact CG2-CD2 3.9Å; V344-Y536 HydrophobicContact CG2-CE2 3.55Å; Y536-N538 VanDerWaalsContact C-N 3.26Å; Y536-N538 WeakPolarHBondContact CB-OD1 3.33Å; Y536-N538 PolarHBondContact O-N 3.45Å; Y536-I539 PolarHBondContact O-N 3.09Å; Y536-T540 PolarHBondContact O-N 2.97Å; Y536-T540 VanDerWaalsContact O-N 3.09Å; Y536-T540 PolarHBondContact O-OG1 3.29Å | ||
| 537 | R | 72.6 | Confident | 76.7 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 48% | 0.475 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -33.6 | -175.2 | -71.1 | -175.7 | 176.4 | 161 | 1.3 | 114 | I539 T540 N541 | R537-I539 VanDerWaalsContact C-N 3.29Å; R537-I539 PolarHBondContact O-N 3.28Å; R537-T540 PolarHBondContact O-N 2.94Å; R537-N541 WeakPolarHBondContact O-CB 3.48Å; R537-N541 PolarHBondContact O-N 3.34Å; R537-N541 PolarHBondContact O-ND2 3.37Å |
| 538 | N | 74.8 | Confident | 77 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.2 | 57.2 | -31.7 | 0 | 0 | 0 | 111.4 | F322 K324 Y536 L542 | F322-N538 PolarHBondContact O-ND2 3.42Å; F322-N538 VanDerWaalsContact O-ND2 3.11Å; K324-N538 HydrophobicContact CB-CB 3.93Å; K324-N538 HydrophobicContact CD-CB 4.44Å; Y536-N538 VanDerWaalsContact C-N 3.26Å; Y536-N538 WeakPolarHBondContact CB-OD1 3.33Å; Y536-N538 PolarHBondContact O-N 3.45Å; N538-L542 PolarHBondContact O-N 2.78Å; N538-L542 VanDerWaalsContact O-N 3.14Å |
| 539 | I | 78.6 | Confident | 77.4 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.5 | -41 | 178.7 | -57.4 | 172.5 | 0 | 0 | 0 | 110.2 | G319 V344 L348 L535 Y536 R537 N541 L542 V543 | G319-I539 WeakPolarHBondContact O-CD1 3.32Å; V344-I539 HydrophobicContact CG1-CD1 3.17Å; L348-I539 HydrophobicContact CD1-CG2 3.61Å; L348-I539 HydrophobicContact CD2-CG2 4.03Å; L348-I539 HydrophobicContact CG-CG2 4.29Å; L535-I539 HydrophobicContact CD2-CB 4.39Å; L535-I539 HydrophobicContact CD2-CG2 4.13Å; L535-I539 HydrophobicContact CG-CB 4.47Å; L535-I539 HydrophobicContact CG-CG2 4.4Å; Y536-I539 PolarHBondContact O-N 3.09Å; R537-I539 VanDerWaalsContact C-N 3.29Å; R537-I539 PolarHBondContact O-N 3.28Å; I539-N541 VanDerWaalsContact C-N 3.32Å; I539-N541 PolarHBondContact O-N 2.78Å; I539-L542 WeakPolarHBondContact O-CB 3.38Å; I539-L542 PolarHBondContact O-N 3.04Å; I539-V543 HydrophobicContact CG2-CG2 4.26Å; I539-V543 VanDerWaalsContact O-CG2 3.26Å; I539-V543 WeakPolarHBondContact O-CG2 3.33Å; I539-V543 PolarHBondContact O-N 2.98Å |
| 540 | T | 77.2 | Confident | 78.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -48.1 | 174 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | Y536 R537 L542 V543 C544 F555 | Y536-T540 PolarHBondContact O-N 2.97Å; Y536-T540 VanDerWaalsContact O-N 3.09Å; Y536-T540 PolarHBondContact O-OG1 3.29Å; R537-T540 PolarHBondContact O-N 2.94Å; T540-L542 VanDerWaalsContact C-N 3.32Å; T540-L542 PolarHBondContact O-N 3.06Å; T540-V543 PolarHBondContact O-N 2.82Å; T540-C544 PolarHBondContact O-N 3.24Å; T540-C544 PolarHBondContact O-SG 3.02Å; T540-F555 HydrophobicContact CG2-CD1 4.2Å |
| 541 | N | 78.6 | Confident | 78.7 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 40% | 0.401 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.6 | -37.4 | 179.9 | -70.9 | -12.6 | 0 | 0 | 0 | 112.4 | R537 I539 C544 Q545 | R537-N541 WeakPolarHBondContact O-CB 3.48Å; R537-N541 PolarHBondContact O-N 3.34Å; R537-N541 PolarHBondContact O-ND2 3.37Å; I539-N541 VanDerWaalsContact C-N 3.32Å; I539-N541 PolarHBondContact O-N 2.78Å; N541-C544 PolarHBondContact O-N 2.7Å; N541-Q545 WeakPolarHBondContact O-CG 3.32Å; N541-Q545 PolarHBondContact O-N 2.89Å |
| 542 | L | 81.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 174.8 | 178 | 67.9 | 0 | 0 | 0 | 111.2 | V311 L316 N538 I539 T540 C544 Q545 | V311-L542 HydrophobicContact CB-CD1 4.31Å; V311-L542 HydrophobicContact CB-CG 4.38Å; V311-L542 HydrophobicContact CG1-CG 4.42Å; L316-L542 VanDerWaalsContact CA-CD2 3.45Å; L316-L542 HydrophobicContact CB-CD2 3.93Å; L316-L542 HydrophobicContact CD1-CD2 3.84Å; N538-L542 PolarHBondContact O-N 2.78Å; N538-L542 VanDerWaalsContact O-N 3.14Å; I539-L542 WeakPolarHBondContact O-CB 3.38Å; I539-L542 PolarHBondContact O-N 3.04Å; T540-L542 VanDerWaalsContact C-N 3.32Å; T540-L542 PolarHBondContact O-N 3.06Å; L542-C544 VanDerWaalsContact C-N 3.28Å; L542-C544 PolarHBondContact O-N 3.25Å; L542-Q545 WeakPolarHBondContact O-CB 3.23Å; L542-Q545 PolarHBondContact O-N 2.55Å |
| 543 | V | 82.6 | Confident | 79.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -32.6 | -179.1 | 178.7 | 0 | 0 | 0 | 0 | 111 | L348 I539 T540 Q545 S546 V551 F555 | L348-V543 HydrophobicContact CD1-CG2 3.9Å; I539-V543 HydrophobicContact CG2-CG2 4.26Å; I539-V543 VanDerWaalsContact O-CG2 3.26Å; I539-V543 WeakPolarHBondContact O-CG2 3.33Å; I539-V543 PolarHBondContact O-N 2.98Å; T540-V543 PolarHBondContact O-N 2.82Å; V543-Q545 PolarHBondContact O-N 3.41Å; V543-S546 WeakPolarHBondContact O-CB 3.44Å; V543-S546 PolarHBondContact O-N 3.28Å; V543-S546 VanDerWaalsContact O-N 3.12Å; V543-V551 HydrophobicContact CG1-CG1 3.21Å; V543-F555 HydrophobicContact CB-CG 4.49Å; V543-F555 HydrophobicContact CG1-CB 4.49Å; V543-F555 HydrophobicContact CG1-CD1 4.28Å; V543-F555 HydrophobicContact CG1-CD2 3.4Å; V543-F555 VanDerWaalsContact CG1-CD2 3.4Å; V543-F555 HydrophobicContact CG1-CE1 4.37Å; V543-F555 HydrophobicContact CG1-CE2 3.54Å; V543-F555 HydrophobicContact CG1-CG 3.8Å; V543-F555 HydrophobicContact CG1-CZ 4.03Å |
| 544 | C | 81.3 | Confident | 80.5 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -24.8 | 171.3 | -70.2 | 0 | 0 | 0 | 0 | 113.9 | T540 N541 L542 S546 F555 | T540-C544 PolarHBondContact O-N 3.24Å; T540-C544 PolarHBondContact O-SG 3.02Å; N541-C544 PolarHBondContact O-N 2.7Å; L542-C544 VanDerWaalsContact C-N 3.28Å; L542-C544 PolarHBondContact O-N 3.25Å; C544-S546 VanDerWaalsContact C-N 3.3Å; C544-F555 PolarHBondContact SG-O 2.97Å |
| 545 | Q | 83.4 | Confident | 81.1 | Confident | 150 Ų | 150 | 45.4 Ų | 45.4 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.3 | 177.7 | -65.5 | 174.4 | 0.4 | 0 | 0 | 113.2 | N541 L542 V543 | N541-Q545 WeakPolarHBondContact O-CG 3.32Å; N541-Q545 PolarHBondContact O-N 2.89Å; L542-Q545 WeakPolarHBondContact O-CB 3.23Å; L542-Q545 PolarHBondContact O-N 2.55Å; V543-Q545 PolarHBondContact O-N 3.41Å |
| 546 | S | 87.2 | Confident | 81 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | trans | -53.6 | 138 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 112.6 | L309 V543 C544 N548 | L309-S546 WeakPolarHBondContact O-CB 3.5Å; L309-S546 PolarHBondContact O-OG 3.38Å; V543-S546 WeakPolarHBondContact O-CB 3.44Å; V543-S546 PolarHBondContact O-N 3.28Å; V543-S546 VanDerWaalsContact O-N 3.12Å; C544-S546 VanDerWaalsContact C-N 3.3Å; S546-N548 VanDerWaalsContact C-N 3.27Å; S546-N548 WeakPolarHBondContact OG-CB 3.05Å; S546-N548 PolarHBondContact OG-N 3.01Å | ||
| 547 | K | 86.6 | Confident | 80.2 | Confident | 173 Ų | 173 | 50.3 Ų | 50.3 | 75% | 0.752 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -73.4 | -17.8 | 169.8 | -65.2 | 175.5 | -177.9 | 172.6 | 0 | 112.9 | G310 T549 | G310-K547 WeakPolarHBondContact O-CG 3.5Å; G310-K547 PolarHBondContact O-N 3.47Å; K547-T549 PolarHBondContact O-N 3.24Å |
| 548 | N | 86.7 | Confident | 79.5 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -73.7 | 120.6 | 176.1 | -172.9 | -41.8 | 0 | 0 | 0 | 109.4 | H270 S546 I550 V551 R552 | H270-N548 PolarHBondContact O-ND2 2.91Å; S546-N548 VanDerWaalsContact C-N 3.27Å; S546-N548 WeakPolarHBondContact OG-CB 3.05Å; S546-N548 PolarHBondContact OG-N 3.01Å; N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 3.15Å; N548-I550 PolarHBondContact OD1-N 2.87Å; N548-I550 VanDerWaalsContact OD1-N 3.11Å; N548-V551 HydrophobicContact CB-CB 4.23Å; N548-V551 HydrophobicContact CB-CG2 4.07Å; N548-V551 PolarHBondContact O-N 2.9Å; N548-R552 WeakPolarHBondContact O-CB 3.41Å; N548-R552 PolarHBondContact O-N 3.08Å |
| 549 | T | 87.1 | Confident | 78.4 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | -174.2 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | H270 K547 R552 E553 | H270-T549 PolarHBondContact ND1-OG1 2.89Å; K547-T549 PolarHBondContact O-N 3.24Å; T549-R552 PolarHBondContact O-N 2.63Å; T549-E553 WeakPolarHBondContact O-CB 3.32Å; T549-E553 WeakPolarHBondContact O-CG 3.42Å; T549-E553 PolarHBondContact O-N 3.27Å |
| 550 | I | 87 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | -178 | -60.6 | -179.9 | 0 | 0 | 0 | 110 | N267 H270 L271 T356 W359 N548 R552 E553 C554 | N267-I550 WeakPolarHBondContact O-CD1 3.22Å; H270-I550 HydrophobicContact CB-CD1 3.66Å; H270-I550 HydrophobicContact CB-CG1 4.03Å; L271-I550 HydrophobicContact CB-CD1 3.94Å; T356-I550 HydrophobicContact CG2-CG2 4.27Å; W359-I550 HydrophobicContact CD2-CG2 3.74Å; W359-I550 HydrophobicContact CE3-CD1 4.39Å; W359-I550 HydrophobicContact CE3-CG1 4.48Å; W359-I550 HydrophobicContact CE3-CG2 3.72Å; W359-I550 HydrophobicContact CG-CG2 4.21Å; W359-I550 HydrophobicContact CH2-CD1 3.55Å; W359-I550 HydrophobicContact CH2-CG1 3.62Å; W359-I550 HydrophobicContact CH2-CG2 4.39Å; W359-I550 HydrophobicContact CZ2-CB 4.47Å; W359-I550 HydrophobicContact CZ2-CD1 4.18Å; W359-I550 HydrophobicContact CZ2-CG1 3.71Å; W359-I550 HydrophobicContact CZ2-CG2 4.39Å; W359-I550 HydrophobicContact CZ3-CD1 3.66Å; W359-I550 HydrophobicContact CZ3-CG1 4.02Å; W359-I550 HydrophobicContact CZ3-CG2 4.06Å; N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 3.15Å; N548-I550 PolarHBondContact OD1-N 2.87Å; N548-I550 VanDerWaalsContact OD1-N 3.11Å; I550-R552 PolarHBondContact O-N 2.89Å; I550-E553 PolarHBondContact O-N 3.43Å; I550-C554 WeakPolarHBondContact O-CB 3.35Å; I550-C554 PolarHBondContact O-N 2.61Å; I550-C554 PolarHBondContact O-SG 3.47Å |
| 551 | V | 86.1 | Confident | 75.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | V274 L309 V543 N548 E553 C554 F555 | V274-V551 HydrophobicContact CG2-CG2 3.49Å; V274-V551 VanDerWaalsContact CG2-CG2 3.49Å; L309-V551 HydrophobicContact CD2-CG2 3.99Å; V543-V551 HydrophobicContact CG1-CG1 3.21Å; N548-V551 HydrophobicContact CB-CB 4.23Å; N548-V551 HydrophobicContact CB-CG2 4.07Å; N548-V551 PolarHBondContact O-N 2.9Å; V551-E553 PolarHBondContact O-N 3.08Å; V551-C554 WeakPolarHBondContact O-CB 3.35Å; V551-C554 PolarHBondContact O-N 2.6Å; V551-F555 HydrophobicContact CG1-CD2 4.18Å; V551-F555 HydrophobicContact CG1-CE2 4.37Å; V551-F555 VanDerWaalsContact O-CD2 3.31Å; V551-F555 WeakPolarHBondContact O-CD2 3.28Å; V551-F555 PolarHBondContact O-N 3.12Å |
| 552 | R | 87.1 | Confident | 74.6 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.6 | -175 | 175.1 | 64.5 | -164.6 | -0.9 | 112.4 | N548 T549 I550 F555 S556 | N548-R552 WeakPolarHBondContact O-CB 3.41Å; N548-R552 PolarHBondContact O-N 3.08Å; T549-R552 PolarHBondContact O-N 2.63Å; I550-R552 PolarHBondContact O-N 2.89Å; R552-F555 PolarHBondContact O-N 3.21Å; R552-S556 WeakPolarHBondContact O-CB 3.29Å; R552-S556 PolarHBondContact O-N 3.47Å; R552-S556 PolarHBondContact O-OG 2.76Å |
| 553 | E | 84.3 | Confident | 73.2 | Confident | 76 Ų | 76 | 70 Ų | 70 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.6 | -77.1 | 177.1 | -173.1 | 0 | 0 | 111.3 | W359 R363 T549 I550 V551 F555 S556 | W359-E553 PolarHBondContact NE1-OE2 2.99Å; R363-E553 IonicContact CZ-OE2 2.83Å; R363-E553 IonicContact NE-OE2 3.83Å; R363-E553 IonicContact NH2-OE1 2.58Å; R363-E553 PolarHBondContact NH2-OE1 3.4Å; R363-E553 IonicContact NH2-OE2 3.18Å; R363-E553 PolarHBondContact NH2-OE2 3.18Å; T549-E553 WeakPolarHBondContact O-CB 3.32Å; T549-E553 WeakPolarHBondContact O-CG 3.42Å; T549-E553 PolarHBondContact O-N 3.27Å; I550-E553 PolarHBondContact O-N 3.43Å; V551-E553 PolarHBondContact O-N 3.08Å; E553-F555 VanDerWaalsContact C-N 3.31Å; E553-F555 PolarHBondContact O-N 3Å; E553-S556 PolarHBondContact O-N 3.17Å; E553-S556 PolarHBondContact O-OG 2.88Å |
| 554 | C | 82.4 | Confident | 71.9 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -53 | -41.8 | 179.3 | -75.6 | 0 | 0 | 0 | 0 | 114.1 | Q355 W359 I550 V551 | Q355-C554 HydrophobicContact CB-CB 3.85Å; W359-C554 WeakPolarHBondContact CB-SG 3.26Å; I550-C554 WeakPolarHBondContact O-CB 3.35Å; I550-C554 PolarHBondContact O-N 2.61Å; I550-C554 PolarHBondContact O-SG 3.47Å; V551-C554 WeakPolarHBondContact O-CB 3.35Å; V551-C554 PolarHBondContact O-N 2.6Å |
| 555 | F | 77 | Confident | 70.8 | Confident | 7 Ų | 7 | 86.1 Ų | 86.1 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -98.6 | -12.5 | -174.5 | -71.2 | -92.4 | 0 | 0 | 0 | 113.2 | A351 I352 Q355 L535 T540 V543 C544 V551 R552 E553 A557 V558 | A351-F555 HydrophobicContact CB-CE1 4.47Å; A351-F555 HydrophobicContact CB-CZ 4.26Å; I352-F555 HydrophobicContact CG1-CE2 4.46Å; I352-F555 HydrophobicContact CG1-CZ 4.38Å; Q355-F555 HydrophobicContact CB-CE2 4.32Å; Q355-F555 HydrophobicContact CB-CZ 4.47Å; Q355-F555 HydrophobicContact CG-CE1 4.4Å; Q355-F555 HydrophobicContact CG-CE2 4.37Å; Q355-F555 HydrophobicContact CG-CZ 4.1Å; L535-F555 HydrophobicContact CD2-CE1 4.2Å; T540-F555 HydrophobicContact CG2-CD1 4.2Å; V543-F555 HydrophobicContact CB-CG 4.49Å; V543-F555 HydrophobicContact CG1-CB 4.49Å; V543-F555 HydrophobicContact CG1-CD1 4.28Å; V543-F555 HydrophobicContact CG1-CD2 3.4Å; V543-F555 VanDerWaalsContact CG1-CD2 3.4Å; V543-F555 HydrophobicContact CG1-CE1 4.37Å; V543-F555 HydrophobicContact CG1-CE2 3.54Å; V543-F555 HydrophobicContact CG1-CG 3.8Å; V543-F555 HydrophobicContact CG1-CZ 4.03Å; C544-F555 PolarHBondContact SG-O 2.97Å; V551-F555 HydrophobicContact CG1-CD2 4.18Å; V551-F555 HydrophobicContact CG1-CE2 4.37Å; V551-F555 VanDerWaalsContact O-CD2 3.31Å; V551-F555 WeakPolarHBondContact O-CD2 3.28Å; V551-F555 PolarHBondContact O-N 3.12Å; R552-F555 PolarHBondContact O-N 3.21Å; E553-F555 VanDerWaalsContact C-N 3.31Å; E553-F555 PolarHBondContact O-N 3Å; F555-A557 VanDerWaalsContact C-N 3.29Å; F555-A557 PolarHBondContact O-N 2.87Å; F555-V558 PolarHBondContact O-N 3.4Å |
| 556 | S | 68.3 | Low | 69.8 | Low | 85 Ų | 85 | 83 Ų | 83 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.5 | -27.6 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | R552 E553 V558 | R552-S556 WeakPolarHBondContact O-CB 3.29Å; R552-S556 PolarHBondContact O-N 3.47Å; R552-S556 PolarHBondContact O-OG 2.76Å; E553-S556 PolarHBondContact O-N 3.17Å; E553-S556 PolarHBondContact O-OG 2.88Å; S556-V558 VanDerWaalsContact C-N 3.29Å; S556-V558 PolarHBondContact O-N 2.93Å |
| 557 | A | 54 | Low | 68.9 | Low | 86 Ų | 86 | 88 Ų | 88 | 71% | 0.711 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F555 D559 | F555-A557 VanDerWaalsContact C-N 3.29Å; F555-A557 PolarHBondContact O-N 2.87Å; A557-D559 PolarHBondContact O-N 3.41Å |
| 558 | V | 57.6 | Low | 68.4 | Low | 66 Ų | 66 | 80.6 Ų | 80.6 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -81.6 | 103 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 108 | F555 S556 T560 | F555-V558 PolarHBondContact O-N 3.4Å; S556-V558 VanDerWaalsContact C-N 3.29Å; S556-V558 PolarHBondContact O-N 2.93Å; V558-T560 PolarHBondContact O-N 3.49Å |
| 559 | D | 52.8 | Low | 68.1 | Low | 120 Ų | 120 | 82 Ų | 82 | 64% | 0.642 | 42% | 0.423 | S | S | * | . | trans | -53.6 | 95.1 | 176.9 | -96.8 | -28.6 | 0 | 0 | 0 | 111.2 | A557 T561 | A557-D559 PolarHBondContact O-N 3.41Å; D559-T561 PolarHBondContact O-N 3.27Å | ||
| 560 | T | 51.9 | Low | 67.8 | Low | 93 Ų | 93 | 80.3 Ų | 80.3 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.4 | 176.8 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | V558 | V558-T560 PolarHBondContact O-N 3.49Š|
| 561 | T | 47.6 | Very low | 67.7 | Low | 114 Ų | 114 | 81.8 Ų | 81.8 | 70% | 0.699 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -24 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | D559 | D559-T561 PolarHBondContact O-N 3.27Š|
| 562 | N | 53.2 | Low | 67.5 | Low | 102 Ų | 102 | 85.7 Ų | 85.7 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | trans | -88.1 | 117.5 | -172.7 | -130.7 | -23.8 | 0 | 0 | 0 | 111.2 | R564 | N562-R564 PolarHBondContact O-N 3.48Š| ||
| 563 | K | 53.2 | Low | 67.2 | Low | 186 Ų | 186 | 80 Ų | 80 | 81% | 0.809 | 42% | 0.419 | S | S | * | . | trans | -74.2 | -8.1 | -176.1 | -69.5 | -177.4 | -178.7 | 177.2 | 0 | 114.2 | ||||
| 564 | R | 56.2 | Low | 67.3 | Low | 216 Ų | 216 | 77.8 Ų | 77.8 | 82% | 0.815 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -65.5 | 139.8 | 175.8 | -82.4 | -176.4 | 172.5 | 178.6 | -1.4 | 110.3 | N562 | N562-R564 PolarHBondContact O-N 3.48Š|
| 565 | R | 57.3 | Low | 67.5 | Low | 160 Ų | 160 | 79.8 Ų | 79.8 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 144 | 170.7 | -78.1 | -173.3 | -179.7 | -179.8 | 1.8 | 109 | ||
| 566 | P | 61.7 | Low | 67.8 | Low | 83 Ų | 83 | 81.5 Ų | 81.5 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -59 | 148.6 | 174.1 | 16.3 | -20 | 0 | 0 | 0 | 110.6 | L534 | L534-P566 HydrophobicContact CG-CG 4.34Š|
| 567 | E | 68.8 | Low | 68.6 | Low | 108 Ų | 108 | 77.7 Ų | 77.7 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 146.2 | 174.4 | -64.7 | -177.4 | 171.8 | 0 | 0 | 110.1 | T571 Q572 N575 | E567-T571 HydrophobicContact CB-CG2 4.26Å; E567-T571 HydrophobicContact CG-CG2 4.4Å; E567-Q572 HydrophobicContact CB-CG 3.74Å; E567-Q572 PolarHBondContact O-NE2 3.17Å; E567-N575 PolarHBondContact OE2-ND2 2.89Å |
| 568 | T | 77.5 | Confident | 70.1 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 10% | 0.098 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 161.4 | 175.1 | 58 | 0 | 0 | 0 | 0 | 111.3 | D464 A570 T571 Q572 | D464-T568 HydrophobicContact CB-CG2 4.47Å; D464-T568 VanDerWaalsContact OD1-CB 3.22Å; D464-T568 WeakPolarHBondContact OD1-CB 3.23Å; D464-T568 WeakPolarHBondContact OD1-CG2 3.44Å; D464-T568 PolarHBondContact OD1-OG1 3.21Å; D464-T568 PolarHBondContact OD2-OG1 2.91Å; T568-A570 VanDerWaalsContact C-N 3.3Å; T568-A570 PolarHBondContact O-N 2.92Å; T568-T571 PolarHBondContact O-N 3.48Å; T568-T571 PolarHBondContact OG1-N 2.91Å; T568-Q572 WeakPolarHBondContact O-CG 3.46Å; T568-Q572 PolarHBondContact O-N 3.08Å |
| 569 | V | 78.5 | Confident | 71.5 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 21% | 0.212 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | F402 N531 D533 T571 Q572 F573 | F402-V569 HydrophobicContact CE1-CB 4.29Å; F402-V569 HydrophobicContact CE1-CG1 3.88Å; F402-V569 HydrophobicContact CZ-CB 4.31Å; F402-V569 HydrophobicContact CZ-CG1 4.22Å; N531-V569 PolarHBondContact O-N 2.88Å; D533-V569 HydrophobicContact CB-CG2 3.29Å; V569-T571 PolarHBondContact O-N 3.5Å; V569-Q572 PolarHBondContact O-N 3.35Å; V569-F573 WeakPolarHBondContact O-CB 3.4Å; V569-F573 PolarHBondContact O-N 3.3Å |
| 570 | A | 82.3 | Confident | 73 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -38 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F402 I460 L463 N531 T568 F573 K574 | F402-A570 HydrophobicContact CE2-CB 4.16Å; F402-A570 HydrophobicContact CZ-CB 4.02Å; I460-A570 HydrophobicContact CB-CB 4.49Å; I460-A570 HydrophobicContact CG1-CB 4.25Å; I460-A570 HydrophobicContact CG2-CB 3.73Å; L463-A570 HydrophobicContact CD2-CB 4.37Å; N531-A570 WeakPolarHBondContact OD1-CB 3.36Å; N531-A570 PolarHBondContact OD1-N 3.06Å; T568-A570 VanDerWaalsContact C-N 3.3Å; T568-A570 PolarHBondContact O-N 2.92Å; A570-F573 WeakPolarHBondContact O-CB 3.44Å; A570-F573 PolarHBondContact O-N 3.35Å; A570-K574 WeakPolarHBondContact O-CB 3.3Å; A570-K574 PolarHBondContact O-N 3.43Å |
| 571 | T | 83.8 | Confident | 74.6 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.6 | -42.2 | 176.6 | -80.7 | 0 | 0 | 0 | 0 | 112.4 | D464 E567 T568 V569 F573 K574 N575 | D464-T571 PolarHBondContact OD2-OG1 2.86Å; E567-T571 HydrophobicContact CB-CG2 4.26Å; E567-T571 HydrophobicContact CG-CG2 4.4Å; T568-T571 PolarHBondContact O-N 3.48Å; T568-T571 PolarHBondContact OG1-N 2.91Å; V569-T571 PolarHBondContact O-N 3.5Å; T571-F573 PolarHBondContact O-N 3.28Å; T571-K574 PolarHBondContact O-N 3.49Å; T571-N575 WeakPolarHBondContact O-CB 3.49Å; T571-N575 VanDerWaalsContact O-CG 3.32Å; T571-N575 PolarHBondContact O-N 2.89Å; T571-N575 PolarHBondContact O-ND2 3.37Å |
| 572 | Q | 81.3 | Confident | 76.5 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.7 | -40.8 | 172.3 | -69.7 | 178.6 | 20.3 | 0 | 0 | 111.1 | E567 T568 V569 N575 S576 | E567-Q572 HydrophobicContact CB-CG 3.74Å; E567-Q572 PolarHBondContact O-NE2 3.17Å; T568-Q572 WeakPolarHBondContact O-CG 3.46Å; T568-Q572 PolarHBondContact O-N 3.08Å; V569-Q572 PolarHBondContact O-N 3.35Å; Q572-N575 PolarHBondContact O-N 2.93Å; Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.83Å; Q572-S576 PolarHBondContact O-OG 3.04Å |
| 573 | F | 81.4 | Confident | 78.1 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -49 | 176.9 | 167.2 | -132.4 | 0 | 0 | 0 | 112.2 | L188 C406 Y409 C410 V569 A570 T571 N575 S576 L577 | L188-F573 HydrophobicContact CD1-CD2 3.28Å; L188-F573 HydrophobicContact CD1-CE2 3.03Å; L188-F573 HydrophobicContact CD1-CZ 4.14Å; L188-F573 HydrophobicContact CD2-CB 3.81Å; L188-F573 HydrophobicContact CD2-CD2 3.03Å; L188-F573 HydrophobicContact CD2-CE2 3.66Å; L188-F573 HydrophobicContact CD2-CG 3.57Å; L188-F573 HydrophobicContact CG-CD2 3.63Å; L188-F573 HydrophobicContact CG-CE2 3.89Å; C406-F573 VanDerWaalsContact CA-CE1 3.45Å; C406-F573 HydrophobicContact CB-CD1 3.89Å; C406-F573 HydrophobicContact CB-CE1 3.45Å; C406-F573 VanDerWaalsContact CB-CE1 3.45Å; C406-F573 HydrophobicContact CB-CZ 3.93Å; C406-F573 WeakPolarHBondContact O-CE1 3.3Å; C406-F573 WeakPolarHBondContact O-CZ 3.48Å; Y409-F573 HydrophobicContact CD1-CD1 4.29Å; Y409-F573 AromaticContact CD1-CE1 3.4Å; Y409-F573 HydrophobicContact CD1-CE1 3.4Å; Y409-F573 VanDerWaalsContact CD1-CE1 3.4Å; Y409-F573 AromaticContact CD1-CZ 3.69Å; Y409-F573 HydrophobicContact CD1-CZ 3.69Å; Y409-F573 HydrophobicContact CE1-CE1 4.11Å; Y409-F573 HydrophobicContact CE1-CZ 4.4Å; Y409-F573 HydrophobicContact CG-CE1 4.37Å; C410-F573 HydrophobicContact CB-CE2 4.19Å; C410-F573 HydrophobicContact CB-CZ 3.91Å; V569-F573 WeakPolarHBondContact O-CB 3.4Å; V569-F573 PolarHBondContact O-N 3.3Å; A570-F573 WeakPolarHBondContact O-CB 3.44Å; A570-F573 PolarHBondContact O-N 3.35Å; T571-F573 PolarHBondContact O-N 3.28Å; F573-N575 VanDerWaalsContact C-N 3.32Å; F573-N575 PolarHBondContact O-N 3.17Å; F573-S576 PolarHBondContact O-N 3.19Å; F573-L577 HydrophobicContact CD2-CD1 3.87Å; F573-L577 HydrophobicContact CD2-CG 3.85Å; F573-L577 HydrophobicContact CE1-CD1 4.05Å; F573-L577 HydrophobicContact CE2-CD1 3.13Å; F573-L577 HydrophobicContact CE2-CD2 3.94Å; F573-L577 HydrophobicContact CE2-CG 3.39Å; F573-L577 HydrophobicContact CZ-CD1 3.26Å; F573-L577 HydrophobicContact CZ-CG 4.07Å; F573-L577 PolarHBondContact O-N 3.42Å |
| 574 | K | 86.2 | Confident | 79.7 | Confident | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.122 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.2 | -48 | 174.7 | 177.7 | -176.1 | 170.3 | 179.2 | 0 | 111.5 | E453 I460 A570 T571 S576 L577 Q578 | E453-K574 HydrophobicContact CB-CD 4.32Å; E453-K574 PolarHBondContact O-NZ 2.94Å; I460-K574 HydrophobicContact CD1-CB 4.39Å; A570-K574 WeakPolarHBondContact O-CB 3.3Å; A570-K574 PolarHBondContact O-N 3.43Å; T571-K574 PolarHBondContact O-N 3.49Å; K574-S576 VanDerWaalsContact C-N 3.31Å; K574-S576 PolarHBondContact O-N 3.42Å; K574-L577 PolarHBondContact O-N 3.16Å; K574-Q578 PolarHBondContact O-N 3.36Å |
| 575 | N | 86.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 179.2 | -71.4 | -18.6 | 0 | 0 | 0 | 111.8 | E567 T571 Q572 F573 Q578 K579 | E567-N575 PolarHBondContact OE2-ND2 2.89Å; T571-N575 WeakPolarHBondContact O-CB 3.49Å; T571-N575 VanDerWaalsContact O-CG 3.32Å; T571-N575 PolarHBondContact O-N 2.89Å; T571-N575 PolarHBondContact O-ND2 3.37Å; Q572-N575 PolarHBondContact O-N 2.93Å; F573-N575 VanDerWaalsContact C-N 3.32Å; F573-N575 PolarHBondContact O-N 3.17Å; N575-Q578 PolarHBondContact O-N 3.08Å; N575-K579 WeakPolarHBondContact O-CG 3.4Å; N575-K579 PolarHBondContact O-N 3.46Å; N575-K579 VanDerWaalsContact O-N 3.13Å |
| 576 | S | 83.9 | Confident | 82.4 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | Q572 F573 K574 K579 L580 | Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.83Å; Q572-S576 PolarHBondContact O-OG 3.04Å; F573-S576 PolarHBondContact O-N 3.19Å; K574-S576 VanDerWaalsContact C-N 3.31Å; K574-S576 PolarHBondContact O-N 3.42Å; S576-K579 PolarHBondContact O-N 3.02Å; S576-L580 PolarHBondContact O-N 2.93Å |
| 577 | L | 84.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 174.7 | -76.7 | 179.6 | 0 | 0 | 0 | 112.8 | Y409 C410 F573 K574 L580 T581 | Y409-L577 HydrophobicContact CD1-CD1 3.62Å; Y409-L577 HydrophobicContact CE1-CD1 3.45Å; Y409-L577 VanDerWaalsContact CE1-CD1 3.45Å; C410-L577 HydrophobicContact CB-CD1 4.04Å; C410-L577 HydrophobicContact CB-CD2 4.05Å; C410-L577 VanDerWaalsContact SG-CD2 3.54Å; F573-L577 HydrophobicContact CD2-CD1 3.87Å; F573-L577 HydrophobicContact CD2-CG 3.85Å; F573-L577 HydrophobicContact CE1-CD1 4.05Å; F573-L577 HydrophobicContact CE2-CD1 3.13Å; F573-L577 HydrophobicContact CE2-CD2 3.94Å; F573-L577 HydrophobicContact CE2-CG 3.39Å; F573-L577 HydrophobicContact CZ-CD1 3.26Å; F573-L577 HydrophobicContact CZ-CG 4.07Å; F573-L577 PolarHBondContact O-N 3.42Å; K574-L577 PolarHBondContact O-N 3.16Å; L577-L580 HydrophobicContact CD2-CD2 4.49Å; L577-L580 PolarHBondContact O-N 3.21Å; L577-T581 WeakPolarHBondContact O-CB 3.41Å; L577-T581 PolarHBondContact O-N 3.08Å; L577-T581 PolarHBondContact O-OG1 3.39Å |
| 578 | Q | 86.6 | Confident | 84.5 | Confident | 96 Ų | 96 | 48.2 Ų | 48.2 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 176.5 | -170.4 | -179 | -24.7 | 0 | 0 | 110.6 | K574 N575 L580 T581 E582 | K574-Q578 PolarHBondContact O-N 3.36Å; N575-Q578 PolarHBondContact O-N 3.08Å; Q578-L580 VanDerWaalsContact C-N 3.33Å; Q578-L580 PolarHBondContact O-N 3.44Å; Q578-T581 PolarHBondContact O-N 3.49Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.31Å; Q578-E582 PolarHBondContact NE2-OE1 3.3Å; Q578-E582 WeakPolarHBondContact O-CG 3.29Å; Q578-E582 PolarHBondContact O-N 2.92Å |
| 579 | K | 86.1 | Confident | 85 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.1 | -42.6 | 174.5 | -70.9 | 175.2 | -177.6 | 179.7 | 0 | 112.6 | N575 S576 M583 | N575-K579 WeakPolarHBondContact O-CG 3.4Å; N575-K579 PolarHBondContact O-N 3.46Å; N575-K579 VanDerWaalsContact O-N 3.13Å; S576-K579 PolarHBondContact O-N 3.02Å; K579-M583 PolarHBondContact O-N 3Å |
| 580 | L | 85.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.9 | 176.7 | 62.7 | 0 | 0 | 0 | 110.9 | Y187 L389 S576 L577 Q578 E582 M583 L584 | Y187-L580 HydrophobicContact CE1-CB 4.35Å; Y187-L580 HydrophobicContact CE2-CD1 4.04Å; Y187-L580 HydrophobicContact CE2-CD2 4.41Å; L389-L580 HydrophobicContact CD1-CD1 4.48Å; L389-L580 HydrophobicContact CD1-CD2 4.38Å; L389-L580 HydrophobicContact CD2-CD2 4.44Å; S576-L580 PolarHBondContact O-N 2.93Å; L577-L580 HydrophobicContact CD2-CD2 4.49Å; L577-L580 PolarHBondContact O-N 3.21Å; Q578-L580 VanDerWaalsContact C-N 3.33Å; Q578-L580 PolarHBondContact O-N 3.44Å; L580-E582 VanDerWaalsContact C-N 3.35Å; L580-E582 PolarHBondContact O-N 3.42Å; L580-M583 WeakPolarHBondContact O-CB 3.45Å; L580-M583 PolarHBondContact O-N 3.48Å; L580-L584 HydrophobicContact CD1-CD1 4.09Å; L580-L584 HydrophobicContact CD1-CD2 4.48Å; L580-L584 HydrophobicContact CD1-CG 4.1Å; L580-L584 HydrophobicContact CG-CD1 3.96Å; L580-L584 HydrophobicContact CG-CG 4.36Å; L580-L584 VanDerWaalsContact O-CG 3.26Å; L580-L584 WeakPolarHBondContact O-CG 3.37Å; L580-L584 PolarHBondContact O-N 2.98Å |
| 581 | T | 85.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | -179.5 | -52.2 | 0 | 0 | 0 | 0 | 111 | L417 L577 Q578 M583 L584 M585 | L417-T581 HydrophobicContact CB-CG2 4.35Å; L417-T581 HydrophobicContact CD1-CG2 3.86Å; L417-T581 HydrophobicContact CD2-CG2 3.97Å; L417-T581 HydrophobicContact CG-CG2 4.28Å; L577-T581 WeakPolarHBondContact O-CB 3.41Å; L577-T581 PolarHBondContact O-N 3.08Å; L577-T581 PolarHBondContact O-OG1 3.39Å; Q578-T581 PolarHBondContact O-N 3.49Å; T581-M583 PolarHBondContact O-N 2.68Å; T581-L584 PolarHBondContact O-N 3.26Å; T581-M585 HydrophobicContact CG2-CE 3.57Å; T581-M585 WeakPolarHBondContact O-CG 3.47Å; T581-M585 PolarHBondContact O-N 3.34Å |
| 582 | E | 87.6 | Confident | 86.3 | Confident | 111 Ų | 111 | 46.1 Ų | 46.1 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.4 | -72.2 | 168.5 | -170.4 | 0 | 0 | 111.8 | Q578 L580 M585 | Q578-E582 WeakPolarHBondContact CG-OE1 3.31Å; Q578-E582 PolarHBondContact NE2-OE1 3.3Å; Q578-E582 WeakPolarHBondContact O-CG 3.29Å; Q578-E582 PolarHBondContact O-N 2.92Å; L580-E582 VanDerWaalsContact C-N 3.35Å; L580-E582 PolarHBondContact O-N 3.42Å; E582-M585 PolarHBondContact O-N 2.95Å |
| 583 | M | 85.6 | Confident | 86.7 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -41 | 174.1 | -87.4 | -138.5 | -59.4 | 0 | 0 | 113.1 | Y168 L185 K579 L580 T581 A586 | Y168-M583 HydrophobicContact CD1-CE 4.07Å; Y168-M583 HydrophobicContact CE1-CE 3.74Å; L185-M583 HydrophobicContact CD1-CE 3.39Å; K579-M583 PolarHBondContact O-N 3Å; L580-M583 WeakPolarHBondContact O-CB 3.45Å; L580-M583 PolarHBondContact O-N 3.48Å; T581-M583 PolarHBondContact O-N 2.68Å; M583-A586 PolarHBondContact O-N 3.21Å |
| 584 | L | 86.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.8 | -33.8 | -179.3 | -66.4 | 175 | 0 | 0 | 0 | 112.1 | F102 Y168 L389 L414 L417 L580 T581 A586 K587 | F102-L584 HydrophobicContact CB-CD2 4.31Å; F102-L584 HydrophobicContact CD1-CD2 4.09Å; F102-L584 HydrophobicContact CD2-CD2 3.64Å; F102-L584 HydrophobicContact CE1-CB 4.23Å; F102-L584 HydrophobicContact CE1-CD2 4.24Å; F102-L584 WeakPolarHBondContact CE1-O 3.43Å; F102-L584 HydrophobicContact CE2-CD2 3.84Å; F102-L584 HydrophobicContact CG-CD2 3.76Å; F102-L584 HydrophobicContact CZ-CB 4.16Å; F102-L584 HydrophobicContact CZ-CD2 4.12Å; Y168-L584 HydrophobicContact CE2-CD2 4Å; L389-L584 HydrophobicContact CD2-CD1 3.71Å; L389-L584 HydrophobicContact CD2-CD2 4.29Å; L414-L584 HydrophobicContact CD2-CD1 3.86Å; L417-L584 HydrophobicContact CD2-CB 3.66Å; L417-L584 HydrophobicContact CD2-CD1 3.73Å; L417-L584 HydrophobicContact CD2-CG 4.37Å; L580-L584 HydrophobicContact CD1-CD1 4.09Å; L580-L584 HydrophobicContact CD1-CD2 4.48Å; L580-L584 HydrophobicContact CD1-CG 4.1Å; L580-L584 HydrophobicContact CG-CD1 3.96Å; L580-L584 HydrophobicContact CG-CG 4.36Å; L580-L584 VanDerWaalsContact O-CG 3.26Å; L580-L584 WeakPolarHBondContact O-CG 3.37Å; L580-L584 PolarHBondContact O-N 2.98Å; T581-L584 PolarHBondContact O-N 3.26Å; L584-A586 PolarHBondContact O-N 3.38Å; L584-K587 PolarHBondContact O-N 2.77Å; L584-K587 VanDerWaalsContact O-N 3.16Å; L584-K587 VanDerWaalsContact O-O 3.07Å |
| 585 | M | 85.6 | Confident | 87.5 | Confident | 94 Ų | 94 | 41 Ų | 41 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -25.1 | 175.4 | -75.1 | -167.5 | -154.4 | 0 | 0 | 113.1 | L417 T581 E582 K587 | L417-M585 HydrophobicContact CD1-CE 3.87Å; L417-M585 HydrophobicContact CD1-CG 3.46Å; L417-M585 VanDerWaalsContact CD1-CG 3.46Å; L417-M585 HydrophobicContact CD1-SD 4.41Å; T581-M585 HydrophobicContact CG2-CE 3.57Å; T581-M585 WeakPolarHBondContact O-CG 3.47Å; T581-M585 PolarHBondContact O-N 3.34Å; E582-M585 PolarHBondContact O-N 2.95Å; M585-K587 VanDerWaalsContact C-N 3.31Å |
| 586 | A | 85.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 38.9 Ų | 38.9 | 66% | 0.661 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M583 L584 | M583-A586 PolarHBondContact O-N 3.21Å; L584-A586 PolarHBondContact O-N 3.38Å |
| 587 | K | 87.6 | Confident | 88 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 10% | 0.1 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -121.8 | 149.7 | -175.1 | -64.3 | 177.9 | 174.7 | 170 | 0 | 109.9 | N100 F102 Y168 D170 L584 M585 | N100-K587 HydrophobicContact CB-CB 4.41Å; N100-K587 HydrophobicContact CB-CD 4.45Å; N100-K587 HydrophobicContact CB-CG 3.77Å; N100-K587 CarbonylContact O-C 3.6Å; N100-K587 WeakPolarHBondContact O-CA 3.43Å; F102-K587 HydrophobicContact CD1-CB 3.62Å; F102-K587 HydrophobicContact CE1-CB 4.31Å; Y168-K587 WeakPolarHBondContact OH-CD 3.3Å; Y168-K587 PolarHBondContact OH-NZ 3.43Å; D170-K587 IonicContact OD1-NZ 3.25Å; D170-K587 PolarHBondContact OD1-NZ 2.67Å; D170-K587 IonicContact OD2-NZ 3.42Å; D170-K587 PolarHBondContact OD2-NZ 2.85Å; L584-K587 PolarHBondContact O-N 2.77Å; L584-K587 VanDerWaalsContact O-N 3.16Å; L584-K587 VanDerWaalsContact O-O 3.07Å; M585-K587 VanDerWaalsContact C-N 3.31Å |
| 588 | E | 85.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.9 | 174.3 | -175 | 179.7 | 177.6 | 0 | 0 | 111.2 | N100 H101 F102 | N100-E588 PolarHBondContact O-N 3.4Å; H101-E588 CarbonylContact C-O 3.53Å; H101-E588 VanDerWaalsContact CA-O 3.23Å; H101-E588 WeakPolarHBondContact CA-O 3.13Å; H101-E588 IonicContact CE1-OE2 3.88Å; H101-E588 PolarHBondContact CE1-OE2 3.01Å; H101-E588 IonicContact ND1-OE2 3.68Å; H101-E588 PolarHBondContact ND1-OE2 3.2Å; F102-E588 WeakPolarHBondContact CD1-O 3.25Å; F102-E588 PolarHBondContact N-O 3.31Å |
| 589 | A | 87.3 | Confident | 88.1 | Confident | 20 Ų | 20 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114 | F102 L421 Y591 | F102-A589 HydrophobicContact CD1-CB 4.16Å; F102-A589 HydrophobicContact CE1-CB 3.35Å; F102-A589 HydrophobicContact CE2-CB 3.95Å; F102-A589 HydrophobicContact CZ-CB 3.23Å; L421-A589 HydrophobicContact CD1-CB 4.39Å; A589-Y591 HydrophobicContact CB-CE1 3.9Å; A589-Y591 HydrophobicContact CB-CE2 3.88Å; A589-Y591 WeakPolarHBondContact CB-OH 3.14Å |
| 590 | W | 90.1 | Very high | 88 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147 | 168.5 | -61.1 | 91.4 | 0 | 0 | 0 | 110 | T49 L86 N89 A90 H101 F102 I103 L104 | T49-W590 HydrophobicContact CG2-CZ3 4.32Å; L86-W590 HydrophobicContact CD1-CB 4.44Å; L86-W590 HydrophobicContact CD2-CB 4.07Å; L86-W590 HydrophobicContact CG-CB 4.37Å; L86-W590 HydrophobicContact CG-CE3 4.26Å; N89-W590 HydrophobicContact CB-CH2 4.29Å; N89-W590 VanDerWaalsContact ND2-CH2 3.32Å; N89-W590 WeakPolarHBondContact ND2-CH2 3.21Å; A90-W590 HydrophobicContact CB-CD2 4.25Å; A90-W590 HydrophobicContact CB-CG 4.2Å; H101-W590 AromaticContact CG-NE1 3.89Å; H101-W590 AromaticContact ND1-NE1 3.34Å; H101-W590 PolarHBondContact ND1-NE1 2.84Å; F102-W590 PolarHBondContact O-N 2.77Å; I103-W590 CarbonylContact C-O 3.58Å; I103-W590 WeakPolarHBondContact CA-O 3.43Å; I103-W590 HydrophobicContact CB-CB 4.45Å; I103-W590 HydrophobicContact CG1-CB 3.97Å; I103-W590 HydrophobicContact CG1-CG 4.5Å; L104-W590 PolarHBondContact N-O 3.03Å |
| 591 | Y | 89.4 | Confident | 87.9 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.6 | -167.7 | -57.1 | -69.7 | 0 | 0 | 0 | 113.4 | L50 I51 L104 F418 A589 | L50-Y591 HydrophobicContact CD1-CG 4.44Å; I51-Y591 PolarHBondContact N-O 3.23Å; L104-Y591 HydrophobicContact CB-CD1 4.01Å; L104-Y591 HydrophobicContact CB-CE1 4.32Å; L104-Y591 HydrophobicContact CD2-CD1 4.02Å; L104-Y591 HydrophobicContact CD2-CE1 4.04Å; L104-Y591 HydrophobicContact CG-CD1 4.44Å; F418-Y591 AromaticContact CD2-CD1 3.75Å; F418-Y591 HydrophobicContact CD2-CD1 3.75Å; F418-Y591 HydrophobicContact CD2-CD2 4.2Å; F418-Y591 AromaticContact CD2-CE1 3.35Å; F418-Y591 HydrophobicContact CD2-CE1 3.35Å; F418-Y591 AromaticContact CD2-CE2 3.81Å; F418-Y591 HydrophobicContact CD2-CE2 3.81Å; F418-Y591 HydrophobicContact CD2-CG 4.15Å; F418-Y591 AromaticContact CD2-CZ 3.34Å; F418-Y591 AromaticContact CE2-CD1 3.89Å; F418-Y591 HydrophobicContact CE2-CD1 3.89Å; F418-Y591 AromaticContact CE2-CD2 3.73Å; F418-Y591 HydrophobicContact CE2-CD2 3.73Å; F418-Y591 AromaticContact CE2-CE1 3.87Å; F418-Y591 HydrophobicContact CE2-CE1 3.87Å; F418-Y591 AromaticContact CE2-CE2 3.66Å; F418-Y591 HydrophobicContact CE2-CE2 3.66Å; F418-Y591 AromaticContact CE2-CG 3.81Å; F418-Y591 HydrophobicContact CE2-CG 3.81Å; F418-Y591 AromaticContact CE2-CZ 3.72Å; F418-Y591 HydrophobicContact CG-CE1 4.44Å; A589-Y591 HydrophobicContact CB-CE1 3.9Å; A589-Y591 HydrophobicContact CB-CE2 3.88Å; A589-Y591 WeakPolarHBondContact CB-OH 3.14Å |
| 592 | I | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.5 | 171.2 | -57.6 | 175.3 | 0 | 0 | 0 | 108.8 | I51 I83 L86 I103 L104 I105 S106 I120 | I51-I592 HydrophobicContact CB-CG1 4.48Å; I51-I592 CarbonylContact O-C 3.59Å; I51-I592 WeakPolarHBondContact O-CA 3.36Å; I83-I592 HydrophobicContact CD1-CD1 3.84Å; I83-I592 HydrophobicContact CG1-CD1 3.82Å; L86-I592 HydrophobicContact CD1-CD1 4.43Å; L86-I592 HydrophobicContact CD1-CG1 3.89Å; L86-I592 HydrophobicContact CD2-CD1 4.28Å; I103-I592 HydrophobicContact CG2-CD1 3.76Å; I103-I592 HydrophobicContact CG2-CG1 4.08Å; L104-I592 PolarHBondContact O-N 3.35Å; I105-I592 HydrophobicContact CG1-CB 4.32Å; I105-I592 HydrophobicContact CG1-CD1 4.27Å; I105-I592 HydrophobicContact CG2-CB 4.39Å; I105-I592 HydrophobicContact CG2-CG2 4.34Å; S106-I592 PolarHBondContact N-O 3.35Å; S106-I592 PolarHBondContact OG-O 3.19Å; I120-I592 HydrophobicContact CD1-CD1 3.49Å; I120-I592 VanDerWaalsContact CD1-CD1 3.49Å |
| 593 | R | 91.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 104.7 | -179.5 | -59.8 | -59.8 | -172 | 163.2 | 7.8 | 108.8 | L50 I51 V52 S53 S106 Q415 L618 L620 | L50-R593 HydrophobicContact CD1-CG 3.7Å; L50-R593 HydrophobicContact CD2-CB 4.27Å; L50-R593 HydrophobicContact CD2-CG 3.76Å; L50-R593 HydrophobicContact CG-CG 4.02Å; I51-R593 PolarHBondContact O-N 2.92Å; V52-R593 CarbonylContact C-O 3.59Å; V52-R593 WeakPolarHBondContact CA-O 3.46Å; S53-R593 PolarHBondContact N-O 2.99Å; S106-R593 WeakPolarHBondContact OG-CD 3.2Å; S106-R593 PolarHBondContact OG-NH1 3.46Å; Q415-R593 VanDerWaalsContact OE1-NH2 3.09Å; R593-L618 HydrophobicContact CB-CD1 4.25Å; R593-L620 HydrophobicContact CB-CD2 3.85Å; R593-L620 HydrophobicContact CG-CD2 3.75Å |
| 594 | C | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.4 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | S53 S106 G107 A111 K113 | S53-C594 CarbonylContact O-C 3.47Å; S53-C594 VanDerWaalsContact O-CA 3.31Å; S53-C594 WeakPolarHBondContact O-CA 3.47Å; S106-C594 PolarHBondContact O-N 2.85Å; G107-C594 VanDerWaalsContact CA-O 3.28Å; G107-C594 WeakPolarHBondContact CA-O 3.48Å; A111-C594 HydrophobicContact CB-CB 3.76Å; K113-C594 HydrophobicContact CG-CB 4.26Å |
| 595 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.9 | -178.6 | -68.6 | 174.5 | 0 | 0 | 0 | 110.6 | L34 V52 S53 V54 N55 Q614 L618 L620 | L34-L595 HydrophobicContact CD1-CD1 3.89Å; V52-L595 HydrophobicContact CG1-CD1 3.45Å; V52-L595 VanDerWaalsContact CG1-CD1 3.45Å; V52-L595 HydrophobicContact CG1-CG 4.13Å; S53-L595 PolarHBondContact O-N 2.89Å; V54-L595 HydrophobicContact CG2-CB 4.22Å; V54-L595 HydrophobicContact CG2-CD1 4.06Å; N55-L595 PolarHBondContact N-O 3.16Å; L595-Q614 HydrophobicContact CD2-CB 3.43Å; L595-Q614 VanDerWaalsContact CD2-CB 3.43Å; L595-Q614 HydrophobicContact CD2-CG 4.41Å; L595-L618 HydrophobicContact CD2-CD1 3.4Å; L595-L618 HydrophobicContact CG-CD1 4.19Å; L595-L620 HydrophobicContact CD1-CD1 4.38Å |
| 596 | K | 89.7 | Confident | 88.3 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | trans | -79 | 135 | 169.8 | -158.5 | -179 | -177.9 | -176.2 | 0 | 110.1 | Y57 N598 L610 I611 Q614 | Y57-K596 WeakPolarHBondContact OH-CE 3.49Å; Y57-K596 WeakPolarHBondContact OH-CG 3.33Å; K596-N598 WeakPolarHBondContact CE-O 3.27Å; K596-L610 HydrophobicContact CB-CD2 4.25Å; K596-L610 HydrophobicContact CD-CD2 4.3Å; K596-L610 HydrophobicContact CG-CD2 4.38Å; K596-I611 WeakPolarHBondContact O-CG1 3.28Å; K596-Q614 PolarHBondContact O-NE2 2.9Å | ||
| 597 | S | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -83.4 | -35 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | N55 Y57 Q605 D607 | N55-S597 VanDerWaalsContact O-CB 3.28Å; N55-S597 WeakPolarHBondContact O-CB 3.36Å; N55-S597 PolarHBondContact O-OG 3.02Å; Y57-S597 WeakPolarHBondContact CD2-OG 3.48Å; Y57-S597 WeakPolarHBondContact CE2-OG 3.47Å; S597-Q605 WeakPolarHBondContact CB-O 3.47Å; S597-D607 PolarHBondContact O-N 3.12Å |
| 598 | N | 89.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -160.1 | 161.2 | 178.4 | 60.1 | 85.2 | 0 | 0 | 0 | 110.7 | Y57 K596 S600 K601 Q602 Q605 | Y57-N598 PolarHBondContact OH-O 3.48Å; K596-N598 WeakPolarHBondContact CE-O 3.27Å; N598-S600 PolarHBondContact OD1-N 3.27Å; N598-K601 PolarHBondContact OD1-N 2.85Å; N598-Q602 PolarHBondContact ND2-O 3.21Å; N598-Q602 PolarHBondContact OD1-N 2.82Å; N598-Q605 HydrophobicContact CB-CB 4.29Å; N598-Q605 HydrophobicContact CB-CG 4.03Å; N598-Q605 PolarHBondContact ND2-O 3.22Å | ||
| 599 | E | 83.6 | Confident | 88.8 | Confident | 125 Ų | 125 | 41.6 Ų | 41.6 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -29.8 | 178.5 | -65.5 | -163.1 | 150.4 | 0 | 0 | 114.1 | K601 L610 | E599-K601 PolarHBondContact O-N 2.88Å; E599-L610 HydrophobicContact CG-CD1 4.4Å; E599-L610 HydrophobicContact CG-CD2 4.13Å |
| 600 | S | 83.7 | Confident | 88.8 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 0.4 | -175.3 | -51 | 0 | 0 | 0 | 0 | 114.8 | N598 Q602 | N598-S600 PolarHBondContact OD1-N 3.27Å; S600-Q602 PolarHBondContact O-N 2.76Å |
| 601 | K | 82.8 | Confident | 88.8 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | trans | 56.1 | 31.6 | -178 | -52.9 | 174.5 | -176.6 | 164.7 | 0 | 113.5 | Y57 D160 N598 E599 | Y57-K601 HydrophobicContact CD1-CB 4.05Å; Y57-K601 HydrophobicContact CE1-CB 3.91Å; Y57-K601 HydrophobicContact CE1-CG 4.04Å; D160-K601 IonicContact OD1-NZ 2.8Å; D160-K601 PolarHBondContact OD1-NZ 3.03Å; D160-K601 IonicContact OD2-NZ 2.86Å; D160-K601 PolarHBondContact OD2-NZ 3.39Å; N598-K601 PolarHBondContact OD1-N 2.85Å; E599-K601 PolarHBondContact O-N 2.88Å | ||
| 602 | Q | 84.4 | Confident | 88.7 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | trans | -93.2 | 139.2 | -178.1 | -67.8 | -61 | -42.2 | 0 | 0 | 111.8 | N598 S600 Q605 | N598-Q602 PolarHBondContact ND2-O 3.21Å; N598-Q602 PolarHBondContact OD1-N 2.82Å; S600-Q602 PolarHBondContact O-N 2.76Å; Q602-Q605 HydrophobicContact CB-CB 4.43Å | ||
| 603 | P | 88.7 | Confident | 88.3 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 144.3 | 175.3 | 29.7 | -34.1 | 0 | 0 | 0 | 111.4 | K58 Q605 | K58-P603 HydrophobicContact CB-CB 4.07Å; K58-P603 HydrophobicContact CD-CB 4.36Å; K58-P603 HydrophobicContact CG-CB 4.32Å; P603-Q605 PolarHBondContact O-N 2.72Å |
| 604 | G | 84.1 | Confident | 88 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -4.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 605 | Q | 90.9 | Very high | 87.7 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | trans | -89.3 | 131.1 | 175.1 | -175 | 178.1 | 8.8 | 0 | 0 | 111.2 | S597 N598 Q602 P603 | S597-Q605 WeakPolarHBondContact CB-O 3.47Å; N598-Q605 HydrophobicContact CB-CB 4.29Å; N598-Q605 HydrophobicContact CB-CG 4.03Å; N598-Q605 PolarHBondContact ND2-O 3.22Å; Q602-Q605 HydrophobicContact CB-CB 4.43Å; P603-Q605 PolarHBondContact O-N 2.72Å | ||
| 606 | F | 91.8 | Very high | 87 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | trans | -123.7 | 109.1 | 179.9 | -171.4 | -81.8 | 0 | 0 | 0 | 109.7 | I31 L34 K35 F38 E608 I611 | I31-F606 HydrophobicContact CG2-CE1 4.11Å; I31-F606 HydrophobicContact CG2-CZ 4.45Å; L34-F606 HydrophobicContact CB-CE2 4.13Å; L34-F606 HydrophobicContact CB-CZ 3.93Å; K35-F606 HydrophobicContact CB-CD1 4.06Å; K35-F606 HydrophobicContact CB-CE1 3.73Å; K35-F606 HydrophobicContact CB-CE2 4.31Å; K35-F606 HydrophobicContact CB-CG 4.49Å; K35-F606 HydrophobicContact CB-CZ 3.85Å; K35-F606 HydrophobicContact CD-CD1 4.23Å; K35-F606 HydrophobicContact CD-CE1 4.43Å; K35-F606 HydrophobicContact CG-CD1 3.89Å; K35-F606 HydrophobicContact CG-CE1 4.09Å; K35-F606 HydrophobicContact CG-CG 4.22Å; F38-F606 HydrophobicContact CB-CD2 3.93Å; F38-F606 HydrophobicContact CB-CE2 4.17Å; F38-F606 HydrophobicContact CD1-CB 4.03Å; F38-F606 AromaticContact CD1-CD2 3.7Å; F38-F606 HydrophobicContact CD1-CD2 3.7Å; F38-F606 HydrophobicContact CD1-CG 4.35Å; F38-F606 HydrophobicContact CE1-CB 4.26Å; F38-F606 HydrophobicContact CE1-CD2 4.36Å; F38-F606 AromaticContact CG-CD2 3.84Å; F38-F606 HydrophobicContact CG-CD2 3.84Å; F38-F606 HydrophobicContact CG-CE2 4.44Å; F606-E608 HydrophobicContact CD1-CG 4.02Å; F606-E608 HydrophobicContact CE1-CG 3.97Å; F606-I611 HydrophobicContact CD1-CD1 3.95Å; F606-I611 HydrophobicContact CD2-CD1 3.51Å; F606-I611 HydrophobicContact CE1-CD1 3.6Å; F606-I611 HydrophobicContact CE2-CD1 3.15Å; F606-I611 HydrophobicContact CG-CD1 3.92Å; F606-I611 HydrophobicContact CZ-CB 4.38Å; F606-I611 HydrophobicContact CZ-CD1 3.2Å; F606-I611 HydrophobicContact CZ-CG1 4.37Å; F606-I611 HydrophobicContact CZ-CG2 4.15Å | ||
| 607 | D | 92.7 | Very high | 86.3 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | trans | -90.9 | 108.8 | 175.8 | -175.2 | -14.2 | 0 | 0 | 0 | 110.3 | S597 A609 L610 I611 | S597-D607 PolarHBondContact O-N 3.12Å; D607-A609 VanDerWaalsContact C-N 3.35Å; D607-A609 PolarHBondContact O-N 3Å; D607-A609 WeakPolarHBondContact OD1-CB 3.36Å; D607-A609 PolarHBondContact OD1-N 2.97Å; D607-L610 HydrophobicContact CB-CB 3.91Å; D607-L610 PolarHBondContact OD1-N 2.85Å; D607-I611 WeakPolarHBondContact O-CB 3.27Å; D607-I611 WeakPolarHBondContact O-CG1 3.46Å; D607-I611 PolarHBondContact O-N 2.92Å | ||
| 608 | E | 90.1 | Very high | 85.7 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.8 | -33.3 | 179.6 | -69.5 | -176.4 | -165.1 | 0 | 0 | 113.2 | I31 K35 F606 R612 | I31-E608 HydrophobicContact CG2-CB 4.45Å; I31-E608 HydrophobicContact CG2-CG 4.22Å; K35-E608 HydrophobicContact CD-CG 4.46Å; K35-E608 WeakPolarHBondContact CD-OE1 3.49Å; K35-E608 WeakPolarHBondContact CE-OE1 3.37Å; K35-E608 IonicContact NZ-OE1 3.87Å; K35-E608 PolarHBondContact NZ-OE1 3.48Å; F606-E608 HydrophobicContact CD1-CG 4.02Å; F606-E608 HydrophobicContact CE1-CG 3.97Å; E608-R612 WeakPolarHBondContact O-CB 3.46Å; E608-R612 PolarHBondContact O-N 3.25Å; E608-R612 IonicContact OE2-NH2 3.67Å |
| 609 | A | 87.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.1 | -45.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D607 R612 H613 | D607-A609 VanDerWaalsContact C-N 3.35Å; D607-A609 PolarHBondContact O-N 3Å; D607-A609 WeakPolarHBondContact OD1-CB 3.36Å; D607-A609 PolarHBondContact OD1-N 2.97Å; A609-R612 PolarHBondContact O-N 3.06Å; A609-H613 PolarHBondContact O-N 3.35Å; A609-H613 VanDerWaalsContact O-N 3.11Å |
| 610 | L | 86.8 | Confident | 85 | Confident | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -56.3 | 173.3 | -177.6 | 67.6 | 0 | 0 | 0 | 110.2 | K596 E599 D607 R612 H613 Q614 | K596-L610 HydrophobicContact CB-CD2 4.25Å; K596-L610 HydrophobicContact CD-CD2 4.3Å; K596-L610 HydrophobicContact CG-CD2 4.38Å; E599-L610 HydrophobicContact CG-CD1 4.4Å; E599-L610 HydrophobicContact CG-CD2 4.13Å; D607-L610 HydrophobicContact CB-CB 3.91Å; D607-L610 PolarHBondContact OD1-N 2.85Å; L610-R612 VanDerWaalsContact C-N 3.28Å; L610-R612 PolarHBondContact O-N 2.77Å; L610-H613 WeakPolarHBondContact O-CA 3.35Å; L610-H613 VanDerWaalsContact O-CB 3.32Å; L610-H613 WeakPolarHBondContact O-CB 3.27Å; L610-H613 PolarHBondContact O-N 2.83Å; L610-H613 VanDerWaalsContact O-N 3.07Å; L610-Q614 HydrophobicContact CG-CG 4.45Å; L610-Q614 VanDerWaalsContact O-CG 3.31Å; L610-Q614 WeakPolarHBondContact O-CG 3.38Å; L610-Q614 PolarHBondContact O-N 3.48Å |
| 611 | I | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -34.5 | -177.2 | -69.4 | 171.3 | 0 | 0 | 0 | 112.2 | L34 K596 F606 D607 H613 Q614 V615 | L34-I611 HydrophobicContact CD1-CG2 4.11Å; K596-I611 WeakPolarHBondContact O-CG1 3.28Å; F606-I611 HydrophobicContact CD1-CD1 3.95Å; F606-I611 HydrophobicContact CD2-CD1 3.51Å; F606-I611 HydrophobicContact CE1-CD1 3.6Å; F606-I611 HydrophobicContact CE2-CD1 3.15Å; F606-I611 HydrophobicContact CG-CD1 3.92Å; F606-I611 HydrophobicContact CZ-CB 4.38Å; F606-I611 HydrophobicContact CZ-CD1 3.2Å; F606-I611 HydrophobicContact CZ-CG1 4.37Å; F606-I611 HydrophobicContact CZ-CG2 4.15Å; D607-I611 WeakPolarHBondContact O-CB 3.27Å; D607-I611 WeakPolarHBondContact O-CG1 3.46Å; D607-I611 PolarHBondContact O-N 2.92Å; I611-H613 PolarHBondContact O-N 2.94Å; I611-Q614 CarbonylContact O-C 3.56Å; I611-Q614 WeakPolarHBondContact O-CA 3.37Å; I611-Q614 PolarHBondContact O-N 2.88Å; I611-V615 HydrophobicContact CG2-CG2 3.95Å; I611-V615 WeakPolarHBondContact O-CB 3.27Å; I611-V615 VanDerWaalsContact O-CG2 3.22Å; I611-V615 WeakPolarHBondContact O-CG2 3.43Å; I611-V615 PolarHBondContact O-N 2.92Å |
| 612 | R | 88.2 | Confident | 84.5 | Confident | 99 Ų | 99 | 45.8 Ų | 45.8 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 172.8 | -175.4 | 179.5 | -60.1 | 106.5 | 3.9 | 111.6 | I31 E608 A609 L610 Q614 V615 K616 | I31-R612 HydrophobicContact CD1-CB 3.63Å; I31-R612 HydrophobicContact CD1-CG 3.79Å; E608-R612 WeakPolarHBondContact O-CB 3.46Å; E608-R612 PolarHBondContact O-N 3.25Å; E608-R612 IonicContact OE2-NH2 3.67Å; A609-R612 PolarHBondContact O-N 3.06Å; L610-R612 VanDerWaalsContact C-N 3.28Å; L610-R612 PolarHBondContact O-N 2.77Å; R612-Q614 PolarHBondContact O-N 2.87Å; R612-V615 PolarHBondContact O-N 3.06Å; R612-K616 PolarHBondContact O-N 2.73Å |
| 613 | H | 83 | Confident | 84.1 | Confident | 90 Ų | 90 | 41 Ų | 41 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 172.9 | -176.2 | -96 | 0 | 0 | 0 | 110.7 | E108 A609 L610 I611 K616 Y617 | E108-H613 IonicContact OE1-ND1 3.32Å; A609-H613 PolarHBondContact O-N 3.35Å; A609-H613 VanDerWaalsContact O-N 3.11Å; L610-H613 WeakPolarHBondContact O-CA 3.35Å; L610-H613 VanDerWaalsContact O-CB 3.32Å; L610-H613 WeakPolarHBondContact O-CB 3.27Å; L610-H613 PolarHBondContact O-N 2.83Å; L610-H613 VanDerWaalsContact O-N 3.07Å; I611-H613 PolarHBondContact O-N 2.94Å; H613-K616 PolarHBondContact O-N 3.28Å; H613-Y617 PolarHBondContact O-N 2.98Å |
| 614 | Q | 86.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | -178.8 | -52.9 | -177.2 | 74.3 | 0 | 0 | 115.6 | L595 K596 L610 I611 R612 K616 Y617 L618 | L595-Q614 HydrophobicContact CD2-CB 3.43Å; L595-Q614 VanDerWaalsContact CD2-CB 3.43Å; L595-Q614 HydrophobicContact CD2-CG 4.41Å; K596-Q614 PolarHBondContact O-NE2 2.9Å; L610-Q614 HydrophobicContact CG-CG 4.45Å; L610-Q614 VanDerWaalsContact O-CG 3.31Å; L610-Q614 WeakPolarHBondContact O-CG 3.38Å; L610-Q614 PolarHBondContact O-N 3.48Å; I611-Q614 CarbonylContact O-C 3.56Å; I611-Q614 WeakPolarHBondContact O-CA 3.37Å; I611-Q614 PolarHBondContact O-N 2.88Å; R612-Q614 PolarHBondContact O-N 2.87Å; Q614-K616 VanDerWaalsContact C-N 3.26Å; Q614-K616 PolarHBondContact O-N 3.25Å; Q614-Y617 HydrophobicContact CB-CD1 4Å; Q614-Y617 HydrophobicContact CB-CE1 3.39Å; Q614-Y617 HydrophobicContact CG-CD1 4.27Å; Q614-Y617 HydrophobicContact CG-CE1 3.53Å; Q614-Y617 PolarHBondContact O-N 3.43Å; Q614-L618 WeakPolarHBondContact O-CB 3.24Å; Q614-L618 WeakPolarHBondContact O-CG 3.22Å; Q614-L618 PolarHBondContact O-N 3.15Å |
| 615 | V | 86.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | V30 I31 L34 I611 R612 L620 M621 | V30-V615 HydrophobicContact CG1-CG1 4.38Å; I31-V615 HydrophobicContact CG1-CG2 4.37Å; L34-V615 HydrophobicContact CD1-CG2 4.28Å; I611-V615 HydrophobicContact CG2-CG2 3.95Å; I611-V615 WeakPolarHBondContact O-CB 3.27Å; I611-V615 VanDerWaalsContact O-CG2 3.22Å; I611-V615 WeakPolarHBondContact O-CG2 3.43Å; I611-V615 PolarHBondContact O-N 2.92Å; R612-V615 PolarHBondContact O-N 3.06Å; V615-L620 HydrophobicContact CB-CD1 4.44Å; V615-L620 HydrophobicContact CG1-CB 4.18Å; V615-L620 HydrophobicContact CG1-CD1 4.49Å; V615-L620 HydrophobicContact CG2-CD1 4.11Å; V615-L620 PolarHBondContact O-N 2.93Å; V615-M621 HydrophobicContact CG1-CG 4.03Å; V615-M621 HydrophobicContact CG1-SD 4.01Å |
| 616 | K | 76.9 | Confident | 82.6 | Confident | 133 Ų | 133 | 36.7 Ų | 36.7 | 58% | 0.578 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -69.2 | -51 | 176.8 | -169.7 | 176.6 | -178 | -178.7 | 0 | 111.6 | R612 H613 Q614 L618 G619 | R612-K616 PolarHBondContact O-N 2.73Å; H613-K616 PolarHBondContact O-N 3.28Å; Q614-K616 VanDerWaalsContact C-N 3.26Å; Q614-K616 PolarHBondContact O-N 3.25Å; K616-L618 PolarHBondContact O-N 2.87Å; K616-G619 PolarHBondContact O-N 3.18Å |
| 617 | Y | 73.9 | Confident | 81.9 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | -177.6 | 90.4 | -115 | 0 | 0 | 0 | 112.4 | E108 Y516 H613 Q614 G619 | E108-Y617 HydrophobicContact CG-CD1 4.46Å; E108-Y617 HydrophobicContact CG-CE1 3.55Å; E108-Y617 HydrophobicContact CG-CE2 4.48Å; E108-Y617 PolarHBondContact N-OH 3.37Å; E108-Y617 WeakPolarHBondContact OE1-CD1 3.43Å; E108-Y617 WeakPolarHBondContact OE1-CE1 3.42Å; Y516-Y617 WeakPolarHBondContact CD2-O 3.21Å; Y516-Y617 WeakPolarHBondContact CE2-O 3.38Å; H613-Y617 PolarHBondContact O-N 2.98Å; Q614-Y617 HydrophobicContact CB-CD1 4Å; Q614-Y617 HydrophobicContact CB-CE1 3.39Å; Q614-Y617 HydrophobicContact CG-CD1 4.27Å; Q614-Y617 HydrophobicContact CG-CE1 3.53Å; Q614-Y617 PolarHBondContact O-N 3.43Å; Y617-G619 PolarHBondContact O-N 2.91Å; Y617-G619 VanDerWaalsContact O-N 3.16Å |
| 618 | L | 78.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.8 | 179 | -74.1 | 168 | 0 | 0 | 0 | 113.2 | R593 L595 Q614 K616 L620 | R593-L618 HydrophobicContact CB-CD1 4.25Å; L595-L618 HydrophobicContact CD2-CD1 3.4Å; L595-L618 HydrophobicContact CG-CD1 4.19Å; Q614-L618 WeakPolarHBondContact O-CB 3.24Å; Q614-L618 WeakPolarHBondContact O-CG 3.22Å; Q614-L618 PolarHBondContact O-N 3.15Å; K616-L618 PolarHBondContact O-N 2.87Å; L618-L620 VanDerWaalsContact C-N 3.28Å; L618-L620 HydrophobicContact CB-CD2 4.17Å; L618-L620 HydrophobicContact CB-CG 3.9Å; L618-L620 PolarHBondContact O-N 3.4Å |
| 619 | G | 76.4 | Confident | 80 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 32.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K616 Y617 M621 E622 H623 | K616-G619 PolarHBondContact O-N 3.18Å; Y617-G619 PolarHBondContact O-N 2.91Å; Y617-G619 VanDerWaalsContact O-N 3.16Å; G619-M621 VanDerWaalsContact C-N 3.26Å; G619-M621 PolarHBondContact O-N 3.31Å; G619-E622 VanDerWaalsContact C-OE2 3.28Å; G619-E622 WeakPolarHBondContact CA-OE2 3.47Å; G619-E622 PolarHBondContact O-N 3.13Å; G619-H623 PolarHBondContact O-N 3.37Å |
| 620 | L | 83.2 | Confident | 79.2 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -33.4 | -177.8 | -66.2 | -175.9 | 0 | 0 | 0 | 111.4 | I47 L50 V52 R593 L595 V615 L618 H623 L624 | I47-L620 HydrophobicContact CD1-CB 4.27Å; I47-L620 HydrophobicContact CD1-CD2 4Å; L50-L620 HydrophobicContact CD2-CD2 4.39Å; V52-L620 HydrophobicContact CG1-CD1 4.38Å; V52-L620 HydrophobicContact CG2-CD1 4.18Å; V52-L620 HydrophobicContact CG2-CD2 4.04Å; R593-L620 HydrophobicContact CB-CD2 3.85Å; R593-L620 HydrophobicContact CG-CD2 3.75Å; L595-L620 HydrophobicContact CD1-CD1 4.38Å; V615-L620 HydrophobicContact CB-CD1 4.44Å; V615-L620 HydrophobicContact CG1-CB 4.18Å; V615-L620 HydrophobicContact CG1-CD1 4.49Å; V615-L620 HydrophobicContact CG2-CD1 4.11Å; V615-L620 PolarHBondContact O-N 2.93Å; L618-L620 VanDerWaalsContact C-N 3.28Å; L618-L620 HydrophobicContact CB-CD2 4.17Å; L618-L620 HydrophobicContact CB-CG 3.9Å; L618-L620 PolarHBondContact O-N 3.4Å; L620-H623 PolarHBondContact O-N 3.49Å; L620-L624 WeakPolarHBondContact O-CB 3.41Å; L620-L624 PolarHBondContact O-N 3.49Å |
| 621 | M | 80.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 178.7 | -63.3 | -52.4 | -62.9 | 0 | 0 | 111.4 | T25 E27 V30 V615 G619 H623 L624 R625 | T25-M621 WeakPolarHBondContact O-CE 3.47Å; E27-M621 HydrophobicContact CG-CE 4.08Å; E27-M621 HydrophobicContact CG-CG 3.81Å; E27-M621 HydrophobicContact CG-SD 3.97Å; V30-M621 HydrophobicContact CB-SD 4.36Å; V30-M621 HydrophobicContact CG2-CE 4.32Å; V30-M621 HydrophobicContact CG2-SD 3.82Å; V615-M621 HydrophobicContact CG1-CG 4.03Å; V615-M621 HydrophobicContact CG1-SD 4.01Å; G619-M621 VanDerWaalsContact C-N 3.26Å; G619-M621 PolarHBondContact O-N 3.31Å; M621-H623 VanDerWaalsContact C-N 3.34Å; M621-L624 PolarHBondContact O-N 3.49Å; M621-R625 WeakPolarHBondContact O-CB 3.44Å; M621-R625 VanDerWaalsContact O-CG 3.26Å; M621-R625 WeakPolarHBondContact O-CG 3.38Å; M621-R625 PolarHBondContact O-N 3.19Å |
| 622 | E | 74.4 | Confident | 77.5 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 27% | 0.266 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 174.8 | -68.2 | 68.8 | -156.1 | 0 | 0 | 109.6 | G619 L624 R625 V626 | G619-E622 VanDerWaalsContact C-OE2 3.28Å; G619-E622 WeakPolarHBondContact CA-OE2 3.47Å; G619-E622 PolarHBondContact O-N 3.13Å; E622-L624 PolarHBondContact O-N 3.19Å; E622-R625 PolarHBondContact O-N 3.26Å; E622-V626 WeakPolarHBondContact O-CG2 3.31Å; E622-V626 PolarHBondContact O-N 3.38Å |
| 623 | H | 76.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 176.3 | -171 | -105.4 | 0 | 0 | 0 | 112.1 | I47 L50 F418 G619 L620 M621 R625 V626 R627 | I47-H623 WeakPolarHBondContact CG2-ND1 3.45Å; I47-H623 PolarHBondContact O-CE1 3.07Å; I47-H623 VanDerWaalsContact O-CE1 3.24Å; L50-H623 WeakPolarHBondContact CB-CE1 3.43Å; F418-H623 HydrophobicContact CZ-CB 4.33Å; F418-H623 AromaticContact CZ-CD2 3.41Å; F418-H623 VanDerWaalsContact CZ-CD2 3.41Å; F418-H623 WeakPolarHBondContact CZ-CD2 3.33Å; G619-H623 PolarHBondContact O-N 3.37Å; L620-H623 PolarHBondContact O-N 3.49Å; M621-H623 VanDerWaalsContact C-N 3.34Å; H623-R625 VanDerWaalsContact C-N 3.33Å; H623-R625 PolarHBondContact O-N 2.99Å; H623-V626 PolarHBondContact O-N 2.86Å; H623-R627 WeakPolarHBondContact O-CB 3.49Å; H623-R627 WeakPolarHBondContact O-CG 3.45Å; H623-R627 PolarHBondContact O-N 3.1Å |
| 624 | L | 79.8 | Confident | 76.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 175.9 | 178.3 | 60.2 | 0 | 0 | 0 | 111.6 | F19 V20 T25 V30 I47 L620 M621 E622 R627 R628 | F19-L624 VanDerWaalsContact C-CD1 3.47Å; F19-L624 HydrophobicContact CB-CD1 3.87Å; F19-L624 HydrophobicContact CB-CD2 4.3Å; F19-L624 WeakPolarHBondContact O-CD1 3.36Å; V20-L624 HydrophobicContact CG2-CD1 4.19Å; T25-L624 HydrophobicContact CG2-CD2 4.1Å; T25-L624 HydrophobicContact CG2-CG 4.24Å; V30-L624 HydrophobicContact CG2-CD2 4.04Å; I47-L624 HydrophobicContact CG2-CB 4.21Å; I47-L624 HydrophobicContact CG2-CD1 4.14Å; L620-L624 WeakPolarHBondContact O-CB 3.41Å; L620-L624 PolarHBondContact O-N 3.49Å; M621-L624 PolarHBondContact O-N 3.49Å; E622-L624 PolarHBondContact O-N 3.19Å; L624-R627 PolarHBondContact O-N 3.23Å; L624-R628 WeakPolarHBondContact O-CB 3.47Å; L624-R628 PolarHBondContact O-N 3.33Å |
| 625 | R | 77.5 | Confident | 76.3 | Confident | 113 Ų | 113 | 36 Ų | 36 | 43% | 0.426 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.9 | -73.9 | 170.8 | -175.7 | 175.9 | 4.4 | 111.7 | V440 M621 E622 H623 R628 A629 | V440-R625 HydrophobicContact CG1-CB 4.15Å; M621-R625 WeakPolarHBondContact O-CB 3.44Å; M621-R625 VanDerWaalsContact O-CG 3.26Å; M621-R625 WeakPolarHBondContact O-CG 3.38Å; M621-R625 PolarHBondContact O-N 3.19Å; E622-R625 PolarHBondContact O-N 3.26Å; H623-R625 VanDerWaalsContact C-N 3.33Å; H623-R625 PolarHBondContact O-N 2.99Å; R625-R628 PolarHBondContact O-N 3.31Å; R625-A629 VanDerWaalsContact O-CB 3.25Å; R625-A629 WeakPolarHBondContact O-CB 3.27Å; R625-A629 PolarHBondContact O-N 3.18Å |
| 626 | V | 74.9 | Confident | 76.3 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | T422 L423 V440 E622 H623 R628 G630 | T422-V626 HydrophobicContact CG2-CG1 4.24Å; L423-V626 HydrophobicContact CD2-CB 4.31Å; L423-V626 HydrophobicContact CD2-CG1 3.67Å; L423-V626 HydrophobicContact CD2-CG2 3.6Å; L423-V626 HydrophobicContact CG-CG2 4.41Å; V440-V626 HydrophobicContact CB-CG2 4.42Å; V440-V626 HydrophobicContact CG1-CG2 3.99Å; E622-V626 WeakPolarHBondContact O-CG2 3.31Å; E622-V626 PolarHBondContact O-N 3.38Å; H623-V626 PolarHBondContact O-N 2.86Å; V626-R628 PolarHBondContact O-N 3.27Å; V626-G630 PolarHBondContact O-N 2.97Å; V626-G630 VanDerWaalsContact O-N 3.16Å |
| 627 | R | 75.7 | Confident | 76.9 | Confident | 42 Ų | 42 | 36 Ų | 36 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | 180 | -70.1 | -63.9 | -176.5 | -170.8 | -3.7 | 114.1 | V20 T49 E426 H623 L624 | V20-R627 HydrophobicContact CG2-CB 4.09Å; T49-R627 PolarHBondContact OG1-NH2 3Å; E426-R627 IonicContact OE1-CZ 3.68Å; E426-R627 IonicContact OE1-NH1 2.8Å; E426-R627 PolarHBondContact OE1-NH1 3.26Å; H623-R627 WeakPolarHBondContact O-CB 3.49Å; H623-R627 WeakPolarHBondContact O-CG 3.45Å; H623-R627 PolarHBondContact O-N 3.1Å; L624-R627 PolarHBondContact O-N 3.23Å |
| 628 | R | 72.4 | Confident | 77.5 | Confident | 74 Ų | 74 | 42.2 Ų | 42.2 | 28% | 0.279 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -86 | -31.4 | 178.8 | -174.3 | 176.6 | 173.7 | 159.5 | -1.1 | 113.4 | L22 D23 T25 L624 R625 V626 G630 | L22-R628 PolarHBondContact O-NH1 3.08Å; D23-R628 PolarHBondContact O-NH1 3.09Å; D23-R628 PolarHBondContact O-NH2 3.21Å; T25-R628 VanDerWaalsContact CG2-CD 3.42Å; L624-R628 WeakPolarHBondContact O-CB 3.47Å; L624-R628 PolarHBondContact O-N 3.33Å; R625-R628 PolarHBondContact O-N 3.31Å; V626-R628 PolarHBondContact O-N 3.27Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 CarbonylContact C-O 3.53Å |
| 629 | A | 70.1 | Confident | 77.7 | Confident | 30 Ų | 30 | 45 Ų | 45 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V440 R625 | V440-A629 HydrophobicContact CG2-CB 3.38Å; R625-A629 VanDerWaalsContact O-CB 3.25Å; R625-A629 WeakPolarHBondContact O-CB 3.27Å; R625-A629 PolarHBondContact O-N 3.18Å |
| 630 | G | 71.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -74.3 | 179.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y430 V626 R628 | Y430-G630 WeakPolarHBondContact OH-CA 3.44Å; V626-G630 PolarHBondContact O-N 2.97Å; V626-G630 VanDerWaalsContact O-N 3.16Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 CarbonylContact C-O 3.53Å |
| 631 | F | 75.2 | Confident | 78.5 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | trans | -85.5 | 125.6 | 173.3 | -65 | -93.8 | 0 | 0 | 0 | 110.2 | Y430 I435 Y633 K678 F685 I686 R687 | Y430-F631 HydrophobicContact CE1-CD2 4.4Å; Y430-F631 AromaticContact CE2-CD2 3.75Å; Y430-F631 HydrophobicContact CE2-CD2 3.75Å; Y430-F631 HydrophobicContact CE2-CE2 4.06Å; Y430-F631 AromaticContact CZ-CD2 3.73Å; Y430-F631 PolarHBondContact OH-N 3.14Å; I435-F631 HydrophobicContact CG2-CD2 4.47Å; I435-F631 HydrophobicContact CG2-CE2 3.54Å; I435-F631 HydrophobicContact CG2-CZ 4.09Å; F631-Y633 VanDerWaalsContact C-N 3.3Å; F631-Y633 PolarHBondContact O-N 3.46Å; F631-K678 HydrophobicContact CE1-CB 3.79Å; F631-K678 HydrophobicContact CE1-CG 3.83Å; F631-K678 HydrophobicContact CZ-CB 3.71Å; F631-K678 HydrophobicContact CZ-CD 3.91Å; F631-K678 HydrophobicContact CZ-CG 3.62Å; F631-F685 HydrophobicContact CB-CB 3.87Å; F631-F685 HydrophobicContact CB-CD1 3.85Å; F631-F685 HydrophobicContact CB-CG 4.38Å; F631-F685 HydrophobicContact CD1-CB 3.56Å; F631-F685 HydrophobicContact CD2-CB 4.06Å; F631-F685 HydrophobicContact CD2-CD1 4.06Å; F631-F685 HydrophobicContact CD2-CG 4.4Å; F631-F685 HydrophobicContact CE1-CB 4.1Å; F631-F685 HydrophobicContact CG-CB 3.56Å; F631-F685 HydrophobicContact CG-CD1 4.03Å; F631-F685 HydrophobicContact CG-CG 4.24Å; F631-I686 CarbonylContact C-O 3.49Å; F631-R687 HydrophobicContact CD1-CB 3.94Å; F631-R687 HydrophobicContact CE1-CB 4.19Å | ||
| 632 | A | 67.1 | Low | 78.7 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -65.2 | -30.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | V20 I686 R687 P689 | V20-A632 HydrophobicContact CG1-CB 4.02Å; A632-I686 PolarHBondContact N-O 3.29Å; A632-R687 WeakPolarHBondContact CB-O 3.41Å; A632-R687 PolarHBondContact N-O 2.89Å; A632-P689 HydrophobicContact CB-CB 4.14Å; A632-P689 HydrophobicContact CB-CG 3.59Å |
| 633 | Y | 74.1 | Confident | 79.2 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.3 | -178.2 | -178.7 | -93.7 | 0 | 0 | 0 | 111.4 | F631 R635 F640 F685 I686 L692 | F631-Y633 VanDerWaalsContact C-N 3.3Å; F631-Y633 PolarHBondContact O-N 3.46Å; Y633-R635 HydrophobicContact CE1-CB 3.96Å; Y633-R635 HydrophobicContact CE1-CG 4.14Å; Y633-F640 AromaticContact CE1-CD2 3.92Å; Y633-F640 HydrophobicContact CE1-CD2 3.92Å; Y633-F640 AromaticContact CE1-CE2 3.96Å; Y633-F640 HydrophobicContact CE1-CE2 3.96Å; Y633-F685 CarbonylContact O-C 3.58Å; Y633-F685 WeakPolarHBondContact O-CA 3.25Å; Y633-I686 HydrophobicContact CD1-CD1 3.92Å; Y633-I686 HydrophobicContact CD1-CG1 4.35Å; Y633-I686 PolarHBondContact N-O 3.08Å; Y633-I686 VanDerWaalsContact N-O 3.09Å; Y633-I686 PolarHBondContact O-N 3.25Å; Y633-L692 HydrophobicContact CD1-CD1 3.89Å; Y633-L692 HydrophobicContact CD2-CD1 4.05Å; Y633-L692 HydrophobicContact CD2-CD2 3.42Å; Y633-L692 VanDerWaalsContact CD2-CD2 3.42Å; Y633-L692 HydrophobicContact CD2-CG 4.38Å; Y633-L692 HydrophobicContact CE1-CD1 3.89Å; Y633-L692 HydrophobicContact CE2-CD1 4.04Å; Y633-L692 HydrophobicContact CE2-CD2 3.93Å; Y633-L692 HydrophobicContact CG-CD1 3.94Å; Y633-L692 HydrophobicContact CG-CD2 3.74Å; Y633-L692 HydrophobicContact CG-CG 4.41Å |
| 634 | R | 78.1 | Confident | 79.8 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.9 | 177 | 64 | -172.4 | -178.3 | -150.5 | 1.1 | 111.1 | E426 I684 F685 | E426-R634 VanDerWaalsContact CD-NH1 3.31Å; E426-R634 IonicContact OE1-CZ 2.74Å; E426-R634 IonicContact OE1-NH1 2.72Å; E426-R634 PolarHBondContact OE1-NH1 3.37Å; E426-R634 IonicContact OE1-NH2 2.8Å; E426-R634 IonicContact OE2-NH1 3.28Å; E426-R634 PolarHBondContact OE2-NH1 3.23Å; R634-I684 VanDerWaalsContact CA-O 3.29Å; R634-I684 WeakPolarHBondContact CA-O 3.35Å; R634-F685 HydrophobicContact CB-CD1 3.78Å; R634-F685 HydrophobicContact CB-CE1 3.76Å; R634-F685 HydrophobicContact CB-CG 4.37Å; R634-F685 HydrophobicContact CB-CZ 4.32Å; R634-F685 HydrophobicContact CG-CE1 4.46Å |
| 635 | R | 80.1 | Confident | 80.2 | Confident | 92 Ų | 92 | 55 Ų | 55 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 150.5 | 175.3 | -102.7 | -108.8 | -171.1 | -166.1 | 5.3 | 111.8 | Y633 D639 F640 K683 I684 | Y633-R635 HydrophobicContact CE1-CB 3.96Å; Y633-R635 HydrophobicContact CE1-CG 4.14Å; R635-D639 IonicContact CZ-OD2 3.16Å; R635-D639 VanDerWaalsContact NH1-CB 3.31Å; R635-D639 IonicContact NH1-OD1 3.81Å; R635-D639 IonicContact NH1-OD2 2.8Å; R635-D639 PolarHBondContact NH1-OD2 3.41Å; R635-F640 HydrophobicContact CB-CB 4.46Å; R635-K683 CarbonylContact O-C 3.5Å; R635-K683 WeakPolarHBondContact O-CA 3.28Å; R635-K683 WeakPolarHBondContact O-CB 3.42Å; R635-I684 PolarHBondContact N-O 2.77Å; R635-I684 VanDerWaalsContact N-O 3.15Å; R635-I684 PolarHBondContact O-N 3.41Å |
| 636 | K | 84.6 | Confident | 80.7 | Confident | 120 Ų | 120 | 50.6 Ų | 50.6 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 143.2 | 171.9 | -68.9 | -177.5 | 179.6 | 177.6 | 0 | 110.1 | E638 D639 F640 K683 | K636-E638 VanDerWaalsContact C-N 3.26Å; K636-E638 PolarHBondContact O-N 3.21Å; K636-D639 PolarHBondContact O-N 3.02Å; K636-F640 PolarHBondContact O-N 3.1Å; K636-F640 VanDerWaalsContact O-N 3.07Å; K636-K683 HydrophobicContact CG-CG 4.14Å |
| 637 | Y | 89 | Confident | 81.4 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.7 | -39.9 | -178.7 | -66.2 | -54.8 | 0 | 0 | 0 | 113 | D639 F640 L641 A660 V663 M679 G680 T682 K683 I684 | Y637-D639 PolarHBondContact O-N 2.75Å; Y637-F640 PolarHBondContact O-N 3.49Å; Y637-L641 WeakPolarHBondContact O-CB 3.16Å; Y637-L641 PolarHBondContact O-N 2.88Å; Y637-A660 HydrophobicContact CD2-CB 3.85Å; Y637-A660 HydrophobicContact CE2-CB 3.9Å; Y637-A660 HydrophobicContact CG-CB 4.23Å; Y637-V663 HydrophobicContact CD1-CB 3.92Å; Y637-V663 HydrophobicContact CD1-CG1 4.05Å; Y637-V663 HydrophobicContact CD1-CG2 3.92Å; Y637-V663 HydrophobicContact CE1-CG1 4.39Å; Y637-V663 WeakPolarHBondContact O-CG2 3.43Å; Y637-M679 HydrophobicContact CD1-CE 4.11Å; Y637-M679 HydrophobicContact CE1-CE 3.3Å; Y637-M679 HydrophobicContact CE1-SD 3.64Å; Y637-M679 VanDerWaalsContact OH-CA 3.3Å; Y637-M679 WeakPolarHBondContact OH-CA 3.24Å; Y637-M679 WeakPolarHBondContact OH-CB 3.5Å; Y637-G680 PolarHBondContact OH-N 3.36Å; Y637-G680 VanDerWaalsContact OH-N 3.08Å; Y637-G680 PolarHBondContact OH-O 3.38Å; Y637-T682 WeakPolarHBondContact CD2-O 3.46Å; Y637-T682 PolarHBondContact N-O 3.15Å; Y637-K683 VanDerWaalsContact CE1-C 3.49Å; Y637-K683 VanDerWaalsContact CZ-C 3.49Å; Y637-K683 PolarHBondContact OH-O 3.32Å; Y637-K683 VanDerWaalsContact OH-O 3.08Å; Y637-I684 HydrophobicContact CD1-CB 4.16Å; Y637-I684 HydrophobicContact CE1-CB 3.82Å |
| 638 | E | 86.8 | Confident | 82 | Confident | 135 Ų | 135 | 49.5 Ų | 49.5 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.6 | -47.3 | 179.3 | -66.9 | 178.4 | -173.8 | 0 | 0 | 112.6 | K636 K642 P659 | K636-E638 VanDerWaalsContact C-N 3.26Å; K636-E638 PolarHBondContact O-N 3.21Å; E638-K642 WeakPolarHBondContact O-CB 3.17Å; E638-K642 PolarHBondContact O-N 3.44Å; E638-P659 HydrophobicContact CG-CB 3.96Å; E638-P659 HydrophobicContact CG-CG 3.61Å |
| 639 | D | 83.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.5 | -45.4 | -178.7 | -70.3 | -27.1 | 0 | 0 | 0 | 111.6 | R635 K636 Y637 L641 K642 R643 | R635-D639 IonicContact CZ-OD2 3.16Å; R635-D639 VanDerWaalsContact NH1-CB 3.31Å; R635-D639 IonicContact NH1-OD1 3.81Å; R635-D639 IonicContact NH1-OD2 2.8Å; R635-D639 PolarHBondContact NH1-OD2 3.41Å; K636-D639 PolarHBondContact O-N 3.02Å; Y637-D639 PolarHBondContact O-N 2.75Å; D639-L641 VanDerWaalsContact C-N 3.34Å; D639-L641 PolarHBondContact O-N 3.23Å; D639-K642 PolarHBondContact O-N 3.11Å; D639-R643 PolarHBondContact O-N 3.21Å; D639-R643 VanDerWaalsContact O-N 3.08Å |
| 640 | F | 85.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 179.2 | -169.7 | -96.8 | 0 | 0 | 0 | 110.3 | Y633 R635 K636 Y637 R643 Y644 V663 L666 V667 I684 I686 | Y633-F640 AromaticContact CE1-CD2 3.92Å; Y633-F640 HydrophobicContact CE1-CD2 3.92Å; Y633-F640 AromaticContact CE1-CE2 3.96Å; Y633-F640 HydrophobicContact CE1-CE2 3.96Å; R635-F640 HydrophobicContact CB-CB 4.46Å; K636-F640 PolarHBondContact O-N 3.1Å; K636-F640 VanDerWaalsContact O-N 3.07Å; Y637-F640 PolarHBondContact O-N 3.49Å; F640-R643 PolarHBondContact O-N 3.29Å; F640-Y644 AromaticContact CD1-CD2 4Å; F640-Y644 HydrophobicContact CD1-CD2 4Å; F640-Y644 AromaticContact CD2-CD2 3.55Å; F640-Y644 HydrophobicContact CD2-CD2 3.55Å; F640-Y644 AromaticContact CD2-CE2 3.43Å; F640-Y644 HydrophobicContact CD2-CE2 3.43Å; F640-Y644 VanDerWaalsContact CD2-CE2 3.43Å; F640-Y644 AromaticContact CE1-CD2 3.93Å; F640-Y644 HydrophobicContact CE1-CD2 3.93Å; F640-Y644 AromaticContact CE2-CD2 3.46Å; F640-Y644 HydrophobicContact CE2-CD2 3.46Å; F640-Y644 VanDerWaalsContact CE2-CD2 3.46Å; F640-Y644 AromaticContact CE2-CE2 3.27Å; F640-Y644 HydrophobicContact CE2-CE2 3.27Å; F640-Y644 AromaticContact CG-CD2 3.82Å; F640-Y644 HydrophobicContact CG-CD2 3.82Å; F640-Y644 HydrophobicContact CG-CE2 4.16Å; F640-Y644 AromaticContact CZ-CD2 3.66Å; F640-Y644 HydrophobicContact CZ-CD2 3.66Å; F640-Y644 AromaticContact CZ-CE2 3.89Å; F640-Y644 HydrophobicContact CZ-CE2 3.89Å; F640-Y644 WeakPolarHBondContact O-CD2 3.35Å; F640-Y644 PolarHBondContact O-N 3.14Å; F640-V663 HydrophobicContact CB-CG2 4.41Å; F640-V663 HydrophobicContact CD1-CB 4.4Å; F640-V663 HydrophobicContact CD1-CG1 3.68Å; F640-V663 HydrophobicContact CD1-CG2 3.88Å; F640-V663 HydrophobicContact CE1-CG1 3.96Å; F640-L666 HydrophobicContact CD1-CD2 4.36Å; F640-L666 HydrophobicContact CE1-CD2 3.58Å; F640-L666 HydrophobicContact CZ-CD2 4.36Å; F640-V667 HydrophobicContact CE1-CG2 4.47Å; F640-I684 HydrophobicContact CB-CG2 4.04Å; F640-I684 HydrophobicContact CD1-CG2 4.08Å; F640-I684 HydrophobicContact CD2-CG2 3.85Å; F640-I684 HydrophobicContact CE1-CD1 4.15Å; F640-I684 HydrophobicContact CE2-CG2 4.31Å; F640-I684 HydrophobicContact CG-CG2 3.72Å; F640-I684 HydrophobicContact CZ-CD1 4.35Å; F640-I686 HydrophobicContact CE2-CD1 4.07Å; F640-I686 HydrophobicContact CZ-CD1 4.22Å |
| 641 | L | 89.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 178.1 | -171.5 | 61.1 | 0 | 0 | 0 | 111.9 | Y637 D639 R643 Y644 K645 T651 W655 V663 | Y637-L641 WeakPolarHBondContact O-CB 3.16Å; Y637-L641 PolarHBondContact O-N 2.88Å; D639-L641 VanDerWaalsContact C-N 3.34Å; D639-L641 PolarHBondContact O-N 3.23Å; L641-R643 PolarHBondContact O-N 2.78Å; L641-Y644 PolarHBondContact O-N 3.32Å; L641-K645 HydrophobicContact CD1-CB 4.45Å; L641-K645 WeakPolarHBondContact O-CA 3.34Å; L641-K645 WeakPolarHBondContact O-CB 3.36Å; L641-K645 WeakPolarHBondContact O-CG 3.41Å; L641-K645 PolarHBondContact O-N 2.9Å; L641-T651 HydrophobicContact CD1-CG2 3.91Å; L641-W655 HydrophobicContact CD2-CB 3.94Å; L641-W655 VanDerWaalsContact CD2-CD1 3.46Å; L641-W655 HydrophobicContact CD2-CG 3.72Å; L641-V663 HydrophobicContact CB-CG2 3.87Å; L641-V663 HydrophobicContact CD1-CG2 4.47Å |
| 642 | K | 86.4 | Confident | 84.6 | Confident | 159 Ų | 159 | 56.1 Ų | 56.1 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.6 | -38 | 179.9 | -174 | 177.8 | -179.6 | -177.7 | 0 | 111.9 | E638 D639 | E638-K642 WeakPolarHBondContact O-CB 3.17Å; E638-K642 PolarHBondContact O-N 3.44Å; D639-K642 PolarHBondContact O-N 3.11Å |
| 643 | R | 84.7 | Confident | 85.4 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.7 | -55.9 | 176.7 | -173.8 | 174.4 | 178.3 | 97 | 4.1 | 111.4 | N75 E78 D639 F640 L641 P646 E696 Y699 | N75-R643 PolarHBondContact ND2-NH1 3.38Å; E78-R643 IonicContact OE1-CZ 3.47Å; E78-R643 IonicContact OE1-NH1 3.27Å; E78-R643 PolarHBondContact OE1-NH1 3.31Å; E78-R643 IonicContact OE1-NH2 2.73Å; E78-R643 PolarHBondContact OE1-NH2 3.22Å; D639-R643 PolarHBondContact O-N 3.21Å; D639-R643 VanDerWaalsContact O-N 3.08Å; F640-R643 PolarHBondContact O-N 3.29Å; L641-R643 PolarHBondContact O-N 2.78Å; R643-P646 VanDerWaalsContact O-CD 3.3Å; R643-P646 WeakPolarHBondContact O-CD 3.17Å; R643-E696 IonicContact CZ-OE1 3.59Å; R643-E696 VanDerWaalsContact CZ-OE1 3.24Å; R643-E696 IonicContact CZ-OE2 2.89Å; R643-E696 IonicContact NE-OE1 3.86Å; R643-E696 PolarHBondContact NE-OE1 3.46Å; R643-E696 IonicContact NE-OE2 2.8Å; R643-E696 VanDerWaalsContact NH2-CD 3.34Å; R643-E696 IonicContact NH2-OE1 3.04Å; R643-E696 PolarHBondContact NH2-OE1 3.19Å; R643-E696 IonicContact NH2-OE2 2.77Å; R643-E696 PolarHBondContact NH2-OE2 2.77Å; R643-Y699 WeakPolarHBondContact O-CE2 3.25Å |
| 644 | Y | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -92.8 | -5.2 | -167.4 | -60.2 | -65.1 | 0 | 0 | 0 | 115.4 | F640 L641 P646 L647 L666 T695 E696 Y699 | F640-Y644 AromaticContact CD1-CD2 4Å; F640-Y644 HydrophobicContact CD1-CD2 4Å; F640-Y644 AromaticContact CD2-CD2 3.55Å; F640-Y644 HydrophobicContact CD2-CD2 3.55Å; F640-Y644 AromaticContact CD2-CE2 3.43Å; F640-Y644 HydrophobicContact CD2-CE2 3.43Å; F640-Y644 VanDerWaalsContact CD2-CE2 3.43Å; F640-Y644 AromaticContact CE1-CD2 3.93Å; F640-Y644 HydrophobicContact CE1-CD2 3.93Å; F640-Y644 AromaticContact CE2-CD2 3.46Å; F640-Y644 HydrophobicContact CE2-CD2 3.46Å; F640-Y644 VanDerWaalsContact CE2-CD2 3.46Å; F640-Y644 AromaticContact CE2-CE2 3.27Å; F640-Y644 HydrophobicContact CE2-CE2 3.27Å; F640-Y644 AromaticContact CG-CD2 3.82Å; F640-Y644 HydrophobicContact CG-CD2 3.82Å; F640-Y644 HydrophobicContact CG-CE2 4.16Å; F640-Y644 AromaticContact CZ-CD2 3.66Å; F640-Y644 HydrophobicContact CZ-CD2 3.66Å; F640-Y644 AromaticContact CZ-CE2 3.89Å; F640-Y644 HydrophobicContact CZ-CE2 3.89Å; F640-Y644 WeakPolarHBondContact O-CD2 3.35Å; F640-Y644 PolarHBondContact O-N 3.14Å; L641-Y644 PolarHBondContact O-N 3.32Å; Y644-P646 WeakPolarHBondContact O-CD 3.2Å; Y644-L647 HydrophobicContact CD1-CD1 3.93Å; Y644-L647 HydrophobicContact CG-CD1 4.39Å; Y644-L647 VanDerWaalsContact O-CB 3.28Å; Y644-L647 WeakPolarHBondContact O-CB 3.33Å; Y644-L647 WeakPolarHBondContact O-CG 3.45Å; Y644-L647 PolarHBondContact O-N 2.95Å; Y644-L666 VanDerWaalsContact C-CD1 3.49Å; Y644-L666 WeakPolarHBondContact O-CD1 3.49Å; Y644-T695 HydrophobicContact CD1-CG2 3.86Å; Y644-T695 HydrophobicContact CE1-CG2 3.93Å; Y644-T695 HydrophobicContact CG-CG2 4.25Å; Y644-E696 HydrophobicContact CE1-CG 4.38Å; Y644-E696 VanDerWaalsContact OH-CD 3.26Å; Y644-E696 PolarHBondContact OH-OE1 2.89Å; Y644-Y699 HydrophobicContact CD1-CD2 4.28Å; Y644-Y699 HydrophobicContact CD1-CG 4.25Å; Y644-Y699 HydrophobicContact CE1-CG 4.46Å |
| 645 | K | 89.2 | Confident | 86.3 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -27.7 | 177.2 | 62 | 174 | -175.8 | 173 | 0 | 116.9 | L641 L647 T651 W652 P653 | L641-K645 HydrophobicContact CD1-CB 4.45Å; L641-K645 WeakPolarHBondContact O-CA 3.34Å; L641-K645 WeakPolarHBondContact O-CB 3.36Å; L641-K645 WeakPolarHBondContact O-CG 3.41Å; L641-K645 PolarHBondContact O-N 2.9Å; K645-L647 PolarHBondContact O-N 2.65Å; K645-T651 WeakPolarHBondContact CA-OG1 3.46Å; K645-T651 PolarHBondContact O-OG1 3.43Å; K645-W652 HydrophobicContact CD-CE3 4.29Å; K645-W652 HydrophobicContact CD-CZ3 4.41Å; K645-W652 HydrophobicContact CG-CE3 4.03Å; K645-W652 HydrophobicContact CG-CZ3 4.27Å; K645-W652 WeakPolarHBondContact O-CB 3.47Å; K645-W652 PolarHBondContact O-N 3.01Å; K645-P653 PolarHBondContact NZ-O 2.96Å |
| 646 | P | 88.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 13% | 0.13 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.3 | 176.7 | -15.1 | 29.8 | 0 | 0 | 0 | 114.2 | R643 Y644 W652 Y699 L706 | R643-P646 VanDerWaalsContact O-CD 3.3Å; R643-P646 WeakPolarHBondContact O-CD 3.17Å; Y644-P646 WeakPolarHBondContact O-CD 3.2Å; P646-W652 VanDerWaalsContact CA-CE3 3.49Å; P646-W652 HydrophobicContact CB-CD2 4.21Å; P646-W652 HydrophobicContact CB-CE3 3.7Å; P646-W652 HydrophobicContact CB-CZ3 3.91Å; P646-W652 HydrophobicContact CG-CE3 3.68Å; P646-W652 HydrophobicContact CG-CH2 4.31Å; P646-W652 HydrophobicContact CG-CZ3 3.5Å; P646-Y699 HydrophobicContact CG-CE2 3.95Å; P646-L706 HydrophobicContact CB-CD1 4.05Å; P646-L706 HydrophobicContact CG-CD1 4.44Å |
| 647 | L | 88.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -69.5 | -33.8 | -177.2 | -66.8 | -178.2 | 0 | 0 | 0 | 112.7 | Y644 K645 L666 L670 T695 A698 Y699 C702 | Y644-L647 HydrophobicContact CD1-CD1 3.93Å; Y644-L647 HydrophobicContact CG-CD1 4.39Å; Y644-L647 VanDerWaalsContact O-CB 3.28Å; Y644-L647 WeakPolarHBondContact O-CB 3.33Å; Y644-L647 WeakPolarHBondContact O-CG 3.45Å; Y644-L647 PolarHBondContact O-N 2.95Å; K645-L647 PolarHBondContact O-N 2.65Å; L647-L666 HydrophobicContact CB-CD1 4.44Å; L647-L670 HydrophobicContact CB-CD2 4.38Å; L647-L670 HydrophobicContact CD1-CD1 4.24Å; L647-L670 HydrophobicContact CD1-CD2 4.11Å; L647-T695 HydrophobicContact CD1-CG2 3.7Å; L647-A698 HydrophobicContact CD2-CB 3.9Å; L647-Y699 HydrophobicContact CG-CD2 4.48Å; L647-C702 HydrophobicContact CD2-CB 4.1Å |
| 648 | C | 88.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -107 | 126.9 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | A650 T651 W652 L666 H669 | C648-A650 PolarHBondContact O-N 3.03Å; C648-A650 PolarHBondContact SG-N 3.34Å; C648-T651 HydrophobicContact CB-CG2 4.35Å; C648-T651 WeakPolarHBondContact CB-OG1 3.13Å; C648-T651 PolarHBondContact O-N 3.46Å; C648-T651 PolarHBondContact O-OG1 3.23Å; C648-W652 PolarHBondContact O-N 2.8Å; C648-W652 VanDerWaalsContact O-N 3.11Å; C648-L666 HydrophobicContact CB-CD1 4.29Å; C648-L666 HydrophobicContact CB-CG 4.5Å; C648-H669 HydrophobicContact CB-CB 4.14Å |
| 649 | P | 85.9 | Confident | 86.6 | Confident | 101 Ų | 101 | 66 Ų | 66 | 66% | 0.656 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.9 | 176.5 | -25.2 | 34 | 0 | 0 | 0 | 114.1 | ||
| 650 | A | 85.5 | Confident | 86.8 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -29.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C648 | C648-A650 PolarHBondContact O-N 3.03Å; C648-A650 PolarHBondContact SG-N 3.34Å |
| 651 | T | 87.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -22.6 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | L641 K645 C648 W655 L666 | L641-T651 HydrophobicContact CD1-CG2 3.91Å; K645-T651 WeakPolarHBondContact CA-OG1 3.46Å; K645-T651 PolarHBondContact O-OG1 3.43Å; C648-T651 HydrophobicContact CB-CG2 4.35Å; C648-T651 WeakPolarHBondContact CB-OG1 3.13Å; C648-T651 PolarHBondContact O-N 3.46Å; C648-T651 PolarHBondContact O-OG1 3.23Å; T651-W655 HydrophobicContact CG2-CE3 4.12Å; T651-W655 HydrophobicContact CG2-CZ3 4.41Å; T651-L666 HydrophobicContact CG2-CB 4.47Å |
| 652 | W | 86.1 | Confident | 87.1 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -86.7 | 139.7 | -179.9 | -173.5 | -106.6 | 0 | 0 | 0 | 112.3 | K645 P646 C648 L706 | K645-W652 HydrophobicContact CD-CE3 4.29Å; K645-W652 HydrophobicContact CD-CZ3 4.41Å; K645-W652 HydrophobicContact CG-CE3 4.03Å; K645-W652 HydrophobicContact CG-CZ3 4.27Å; K645-W652 WeakPolarHBondContact O-CB 3.47Å; K645-W652 PolarHBondContact O-N 3.01Å; P646-W652 VanDerWaalsContact CA-CE3 3.49Å; P646-W652 HydrophobicContact CB-CD2 4.21Å; P646-W652 HydrophobicContact CB-CE3 3.7Å; P646-W652 HydrophobicContact CB-CZ3 3.91Å; P646-W652 HydrophobicContact CG-CE3 3.68Å; P646-W652 HydrophobicContact CG-CH2 4.31Å; P646-W652 HydrophobicContact CG-CZ3 3.5Å; C648-W652 PolarHBondContact O-N 2.8Å; C648-W652 VanDerWaalsContact O-N 3.11Å; W652-L706 HydrophobicContact CH2-CD1 4.18Å; W652-L706 HydrophobicContact CZ2-CD1 4.22Å; W652-L706 HydrophobicContact CZ2-CD2 3.9Å |
| 653 | P | 83.4 | Confident | 87.3 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | S | Bend | cis | -93.1 | -17.9 | -2.7 | 31.9 | -30.8 | 0 | 0 | 0 | 115 | K645 | K645-P653 PolarHBondContact NZ-O 2.96Š|
| 654 | H | 84.9 | Confident | 87.6 | Confident | 145 Ų | 145 | 60.6 Ų | 60.6 | 67% | 0.671 | 32% | 0.316 | S | S | * | . | trans | -135.3 | 119.9 | -179.1 | -63.1 | 88.8 | 0 | 0 | 0 | 109.9 | ||||
| 655 | W | 85.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | trans | -82.9 | 138.4 | 169.1 | -172.5 | -111.4 | 0 | 0 | 0 | 110.1 | L641 T651 G657 I658 D661 G662 L665 | L641-W655 HydrophobicContact CD2-CB 3.94Å; L641-W655 VanDerWaalsContact CD2-CD1 3.46Å; L641-W655 HydrophobicContact CD2-CG 3.72Å; T651-W655 HydrophobicContact CG2-CE3 4.12Å; T651-W655 HydrophobicContact CG2-CZ3 4.41Å; W655-G657 VanDerWaalsContact NE1-C 3.31Å; W655-G657 PolarHBondContact NE1-O 3.45Å; W655-I658 PolarHBondContact NE1-O 2.87Å; W655-D661 HydrophobicContact CZ2-CB 4.18Å; W655-G662 VanDerWaalsContact CE2-CA 3.41Å; W655-G662 VanDerWaalsContact CZ2-CA 3.5Å; W655-L665 HydrophobicContact CH2-CD1 3.34Å; W655-L665 HydrophobicContact CZ2-CD1 4.15Å; W655-L665 HydrophobicContact CZ3-CD1 4Å | ||
| 656 | R | 81.9 | Confident | 87.8 | Confident | 243 Ų | 243 | 61.5 Ų | 61.5 | 92% | 0.917 | 32% | 0.323 | S | S | * | . | trans | -119.7 | -2.5 | -179.4 | -62.6 | -172.4 | -177.4 | -160.6 | 0.4 | 113.9 | ||||
| 657 | G | 85.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -92.3 | -170.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W655 | W655-G657 VanDerWaalsContact NE1-C 3.31Å; W655-G657 PolarHBondContact NE1-O 3.45Å |
| 658 | I | 90.1 | Very high | 87.9 | Confident | 109 Ų | 109 | 64.6 Ų | 64.6 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | trans | -64.3 | 138.6 | 173 | -56.7 | 172.5 | 0 | 0 | 0 | 108.2 | W655 A660 D661 G662 | W655-I658 PolarHBondContact NE1-O 2.87Å; I658-A660 VanDerWaalsContact C-N 3.26Å; I658-A660 HydrophobicContact CG2-CB 4.27Å; I658-A660 PolarHBondContact O-N 3.32Å; I658-D661 PolarHBondContact O-N 3.16Å; I658-G662 PolarHBondContact O-N 3.44Å | ||
| 659 | P | 88.4 | Confident | 87.9 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.5 | -36.3 | -179.5 | -28.4 | 35.6 | 0 | 0 | 0 | 114 | E638 G662 V663 | E638-P659 HydrophobicContact CG-CB 3.96Å; E638-P659 HydrophobicContact CG-CG 3.61Å; P659-G662 PolarHBondContact O-N 3.27Å; P659-V663 WeakPolarHBondContact O-CG2 3.47Å; P659-V663 PolarHBondContact O-N 3.18Å |
| 660 | A | 89.5 | Confident | 87.9 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 21% | 0.207 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.1 | -51.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y637 I658 G662 V663 E664 M679 | Y637-A660 HydrophobicContact CD2-CB 3.85Å; Y637-A660 HydrophobicContact CE2-CB 3.9Å; Y637-A660 HydrophobicContact CG-CB 4.23Å; I658-A660 VanDerWaalsContact C-N 3.26Å; I658-A660 HydrophobicContact CG2-CB 4.27Å; I658-A660 PolarHBondContact O-N 3.32Å; A660-G662 VanDerWaalsContact C-N 3.26Å; A660-G662 PolarHBondContact O-N 3.47Å; A660-V663 PolarHBondContact O-N 3.23Å; A660-V663 VanDerWaalsContact O-N 3.1Å; A660-E664 PolarHBondContact O-N 2.95Å; A660-M679 HydrophobicContact CB-CE 4.48Å; A660-M679 WeakPolarHBondContact O-CE 3.37Å |
| 661 | D | 90.9 | Very high | 87.9 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 177.9 | -51 | -11.2 | 0 | 0 | 0 | 111.9 | W655 I658 E664 L665 | W655-D661 HydrophobicContact CZ2-CB 4.18Å; I658-D661 PolarHBondContact O-N 3.16Å; D661-E664 PolarHBondContact O-N 3.08Å; D661-L665 PolarHBondContact O-N 3.17Å |
| 662 | G | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W655 I658 P659 A660 L666 | W655-G662 VanDerWaalsContact CE2-CA 3.41Å; W655-G662 VanDerWaalsContact CZ2-CA 3.5Å; I658-G662 PolarHBondContact O-N 3.44Å; P659-G662 PolarHBondContact O-N 3.27Å; A660-G662 VanDerWaalsContact C-N 3.26Å; A660-G662 PolarHBondContact O-N 3.47Å; G662-L666 WeakPolarHBondContact O-CB 3.41Å; G662-L666 PolarHBondContact O-N 3.31Å; G662-L666 VanDerWaalsContact O-N 3.13Å |
| 663 | V | 91 | Very high | 88 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -41 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | Y637 F640 L641 P659 A660 L665 L666 V667 M679 I684 | Y637-V663 HydrophobicContact CD1-CB 3.92Å; Y637-V663 HydrophobicContact CD1-CG1 4.05Å; Y637-V663 HydrophobicContact CD1-CG2 3.92Å; Y637-V663 HydrophobicContact CE1-CG1 4.39Å; Y637-V663 WeakPolarHBondContact O-CG2 3.43Å; F640-V663 HydrophobicContact CB-CG2 4.41Å; F640-V663 HydrophobicContact CD1-CB 4.4Å; F640-V663 HydrophobicContact CD1-CG1 3.68Å; F640-V663 HydrophobicContact CD1-CG2 3.88Å; F640-V663 HydrophobicContact CE1-CG1 3.96Å; L641-V663 HydrophobicContact CB-CG2 3.87Å; L641-V663 HydrophobicContact CD1-CG2 4.47Å; P659-V663 WeakPolarHBondContact O-CG2 3.47Å; P659-V663 PolarHBondContact O-N 3.18Å; A660-V663 PolarHBondContact O-N 3.23Å; A660-V663 VanDerWaalsContact O-N 3.1Å; V663-L665 PolarHBondContact O-N 3.47Å; V663-L666 WeakPolarHBondContact O-CB 3.48Å; V663-L666 PolarHBondContact O-N 3.18Å; V663-V667 HydrophobicContact CG1-CG2 4.09Å; V663-V667 WeakPolarHBondContact O-CB 3.18Å; V663-V667 VanDerWaalsContact O-CG2 3.22Å; V663-V667 WeakPolarHBondContact O-CG2 3.41Å; V663-V667 PolarHBondContact O-N 3.18Å; V663-M679 HydrophobicContact CB-CE 4.42Å; V663-M679 HydrophobicContact CG1-CE 4.34Å; V663-M679 HydrophobicContact CG1-SD 4.32Å; V663-I684 HydrophobicContact CG1-CB 4.14Å; V663-I684 HydrophobicContact CG1-CD1 3.51Å; V663-I684 HydrophobicContact CG1-CG1 4.38Å; V663-I684 HydrophobicContact CG1-CG2 4.38Å |
| 664 | E | 90.7 | Very high | 87.9 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.9 | -171.8 | 177.6 | -171.5 | 0 | 0 | 111.7 | A660 D661 L666 V667 Q668 M679 | A660-E664 PolarHBondContact O-N 2.95Å; D661-E664 PolarHBondContact O-N 3.08Å; E664-L666 VanDerWaalsContact C-N 3.29Å; E664-L666 PolarHBondContact O-N 2.73Å; E664-V667 PolarHBondContact O-N 3.14Å; E664-Q668 WeakPolarHBondContact O-CB 3.35Å; E664-Q668 VanDerWaalsContact O-CG 3.28Å; E664-Q668 WeakPolarHBondContact O-CG 3.01Å; E664-Q668 PolarHBondContact O-N 3.43Å; E664-Q668 PolarHBondContact OE1-NE2 3.15Å; E664-M679 HydrophobicContact CB-CE 4.18Å |
| 665 | L | 90.4 | Very high | 87.7 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.6 | -80 | 163.5 | 0 | 0 | 0 | 112.8 | W655 D661 V663 H669 | W655-L665 HydrophobicContact CH2-CD1 3.34Å; W655-L665 HydrophobicContact CZ2-CD1 4.15Å; W655-L665 HydrophobicContact CZ3-CD1 4Å; D661-L665 PolarHBondContact O-N 3.17Å; V663-L665 PolarHBondContact O-N 3.47Å; L665-H669 WeakPolarHBondContact O-CB 3.16Å; L665-H669 PolarHBondContact O-N 2.97Å |
| 666 | L | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 177.3 | -178.7 | 128.1 | 0 | 0 | 0 | 111.2 | F640 Y644 L647 C648 T651 G662 V663 E664 H669 L670 | F640-L666 HydrophobicContact CD1-CD2 4.36Å; F640-L666 HydrophobicContact CE1-CD2 3.58Å; F640-L666 HydrophobicContact CZ-CD2 4.36Å; Y644-L666 VanDerWaalsContact C-CD1 3.49Å; Y644-L666 WeakPolarHBondContact O-CD1 3.49Å; L647-L666 HydrophobicContact CB-CD1 4.44Å; C648-L666 HydrophobicContact CB-CD1 4.29Å; C648-L666 HydrophobicContact CB-CG 4.5Å; T651-L666 HydrophobicContact CG2-CB 4.47Å; G662-L666 WeakPolarHBondContact O-CB 3.41Å; G662-L666 PolarHBondContact O-N 3.31Å; G662-L666 VanDerWaalsContact O-N 3.13Å; V663-L666 WeakPolarHBondContact O-CB 3.48Å; V663-L666 PolarHBondContact O-N 3.18Å; E664-L666 VanDerWaalsContact C-N 3.29Å; E664-L666 PolarHBondContact O-N 2.73Å; L666-H669 PolarHBondContact O-N 3.45Å; L666-L670 HydrophobicContact CD2-CD1 3.67Å; L666-L670 HydrophobicContact CG-CD1 4.18Å; L666-L670 WeakPolarHBondContact O-CG 3.31Å; L666-L670 PolarHBondContact O-N 2.88Å |
| 667 | V | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | F640 V663 E664 H669 L670 G671 Y672 Y677 I684 | F640-V667 HydrophobicContact CE1-CG2 4.47Å; V663-V667 HydrophobicContact CG1-CG2 4.09Å; V663-V667 WeakPolarHBondContact O-CB 3.18Å; V663-V667 VanDerWaalsContact O-CG2 3.22Å; V663-V667 WeakPolarHBondContact O-CG2 3.41Å; V663-V667 PolarHBondContact O-N 3.18Å; E664-V667 PolarHBondContact O-N 3.14Å; V667-H669 VanDerWaalsContact C-N 3.33Å; V667-H669 PolarHBondContact O-N 3.33Å; V667-L670 PolarHBondContact O-N 3.35Å; V667-G671 PolarHBondContact O-N 2.87Å; V667-Y672 HydrophobicContact CB-CD2 4.35Å; V667-Y672 HydrophobicContact CG1-CD2 3.45Å; V667-Y672 VanDerWaalsContact CG1-CD2 3.45Å; V667-Y672 HydrophobicContact CG1-CE2 4.22Å; V667-Y672 HydrophobicContact CG1-CG 3.64Å; V667-Y672 HydrophobicContact CG2-CD2 4.18Å; V667-Y672 HydrophobicContact CG2-CE2 4.14Å; V667-Y672 PolarHBondContact O-N 3Å; V667-Y677 HydrophobicContact CG1-CD1 3.73Å; V667-Y677 HydrophobicContact CG1-CD2 3.99Å; V667-Y677 HydrophobicContact CG1-CE1 3.48Å; V667-Y677 VanDerWaalsContact CG1-CE1 3.48Å; V667-Y677 HydrophobicContact CG1-CE2 3.75Å; V667-Y677 HydrophobicContact CG1-CG 3.99Å; V667-Y677 VanDerWaalsContact CG1-CZ 3.49Å; V667-I684 HydrophobicContact CG2-CD1 3.54Å |
| 668 | Q | 89.1 | Confident | 88.1 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 173.2 | -72.2 | 174.7 | 5.3 | 0 | 0 | 111.9 | E664 L670 G671 | E664-Q668 WeakPolarHBondContact O-CB 3.35Å; E664-Q668 VanDerWaalsContact O-CG 3.28Å; E664-Q668 WeakPolarHBondContact O-CG 3.01Å; E664-Q668 PolarHBondContact O-N 3.43Å; E664-Q668 PolarHBondContact OE1-NE2 3.15Å; Q668-L670 VanDerWaalsContact C-N 3.35Å; Q668-G671 PolarHBondContact O-N 2.81Å |
| 669 | H | 88.1 | Confident | 88 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 176.6 | -172.8 | 69.3 | 0 | 0 | 0 | 112.9 | C648 L665 L666 V667 G671 | C648-H669 HydrophobicContact CB-CB 4.14Å; L665-H669 WeakPolarHBondContact O-CB 3.16Å; L665-H669 PolarHBondContact O-N 2.97Å; L666-H669 PolarHBondContact O-N 3.45Å; V667-H669 VanDerWaalsContact C-N 3.33Å; V667-H669 PolarHBondContact O-N 3.33Å; H669-G671 PolarHBondContact O-N 2.84Å |
| 670 | L | 86 | Confident | 88 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.9 | -14.2 | 175 | -68.8 | 170.6 | 0 | 0 | 0 | 112.9 | L647 L666 V667 Q668 Y672 T695 | L647-L670 HydrophobicContact CB-CD2 4.38Å; L647-L670 HydrophobicContact CD1-CD1 4.24Å; L647-L670 HydrophobicContact CD1-CD2 4.11Å; L666-L670 HydrophobicContact CD2-CD1 3.67Å; L666-L670 HydrophobicContact CG-CD1 4.18Å; L666-L670 WeakPolarHBondContact O-CG 3.31Å; L666-L670 PolarHBondContact O-N 2.88Å; V667-L670 PolarHBondContact O-N 3.35Å; Q668-L670 VanDerWaalsContact C-N 3.35Å; L670-Y672 HydrophobicContact CB-CD1 3.83Å; L670-Y672 HydrophobicContact CB-CE1 3.68Å; L670-Y672 HydrophobicContact CD1-CE1 3.9Å; L670-Y672 HydrophobicContact CG-CE1 4.43Å; L670-T695 HydrophobicContact CD1-CG2 3.71Å |
| 671 | G | 86.6 | Confident | 88 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V667 Q668 H669 | V667-G671 PolarHBondContact O-N 2.87Å; Q668-G671 PolarHBondContact O-N 2.81Å; H669-G671 PolarHBondContact O-N 2.84Å |
| 672 | Y | 88.1 | Confident | 87.7 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 9% | 0.09 | 32% | 0.322 | C | S | . | . | trans | -66.2 | 141.5 | 174.2 | -67.3 | 11.3 | 0 | 0 | 0 | 110.2 | V667 L670 Y677 I686 T691 T695 | V667-Y672 HydrophobicContact CB-CD2 4.35Å; V667-Y672 HydrophobicContact CG1-CD2 3.45Å; V667-Y672 VanDerWaalsContact CG1-CD2 3.45Å; V667-Y672 HydrophobicContact CG1-CE2 4.22Å; V667-Y672 HydrophobicContact CG1-CG 3.64Å; V667-Y672 HydrophobicContact CG2-CD2 4.18Å; V667-Y672 HydrophobicContact CG2-CE2 4.14Å; V667-Y672 PolarHBondContact O-N 3Å; L670-Y672 HydrophobicContact CB-CD1 3.83Å; L670-Y672 HydrophobicContact CB-CE1 3.68Å; L670-Y672 HydrophobicContact CD1-CE1 3.9Å; L670-Y672 HydrophobicContact CG-CE1 4.43Å; Y672-Y677 HydrophobicContact CD2-CD1 4.07Å; Y672-Y677 HydrophobicContact CD2-CG 4.24Å; Y672-Y677 HydrophobicContact CG-CD1 4.44Å; Y672-I686 HydrophobicContact CE2-CD1 3.96Å; Y672-I686 HydrophobicContact CE2-CG1 4.3Å; Y672-T691 HydrophobicContact CD1-CG2 3.49Å; Y672-T691 VanDerWaalsContact CD1-CG2 3.49Å; Y672-T691 HydrophobicContact CD2-CG2 3.57Å; Y672-T691 HydrophobicContact CE1-CG2 3.4Å; Y672-T691 HydrophobicContact CE2-CG2 3.5Å; Y672-T691 HydrophobicContact CG-CG2 3.59Å; Y672-T691 VanDerWaalsContact CZ-CG2 3.41Å; Y672-T695 WeakPolarHBondContact CE1-OG1 3.2Å; Y672-T695 WeakPolarHBondContact OH-CB 3.1Å; Y672-T695 PolarHBondContact OH-OG1 2.9Å | ||
| 673 | L | 85.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | trans | -76.6 | 149.8 | 174.1 | -59.9 | 170.3 | 0 | 0 | 0 | 110.4 | D675 E676 Y677 | L673-D675 PolarHBondContact O-N 2.76Å; L673-E676 HydrophobicContact CB-CG 3.99Å; L673-E676 WeakPolarHBondContact O-CB 3.49Å; L673-E676 PolarHBondContact O-N 2.97Å; L673-Y677 VanDerWaalsContact O-CD1 3.29Å; L673-Y677 WeakPolarHBondContact O-CD1 3.37Å | ||
| 674 | P | 81.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.2 | 178.2 | -25.9 | 34.9 | 0 | 0 | 0 | 114.6 | ||
| 675 | D | 81.4 | Confident | 87.3 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.7 | 179.9 | -45.8 | -35.9 | 0 | 0 | 0 | 112.4 | L673 R687 | L673-D675 PolarHBondContact O-N 2.76Å; D675-R687 WeakPolarHBondContact O-CD 3.49Å |
| 676 | E | 83.4 | Confident | 87 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -18.9 | -177.3 | -68.4 | -174.9 | 178 | 0 | 0 | 113.1 | L673 I686 R687 T691 | L673-E676 HydrophobicContact CB-CG 3.99Å; L673-E676 WeakPolarHBondContact O-CB 3.49Å; L673-E676 PolarHBondContact O-N 2.97Å; E676-I686 CarbonylContact O-C 3.56Å; E676-I686 WeakPolarHBondContact O-CA 3.25Å; E676-R687 WeakPolarHBondContact O-CB 3.38Å; E676-R687 PolarHBondContact O-N 3.34Å; E676-T691 HydrophobicContact CB-CG2 4.5Å; E676-T691 VanDerWaalsContact CD-OG1 3.28Å; E676-T691 VanDerWaalsContact OE2-CG2 3.26Å; E676-T691 WeakPolarHBondContact OE2-CG2 3.45Å; E676-T691 PolarHBondContact OE2-OG1 3.23Å |
| 677 | Y | 88.4 | Confident | 86.4 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.8 | 179.7 | 78.1 | -77.5 | 0 | 0 | 0 | 112.2 | V667 Y672 L673 M679 I684 F685 | V667-Y677 HydrophobicContact CG1-CD1 3.73Å; V667-Y677 HydrophobicContact CG1-CD2 3.99Å; V667-Y677 HydrophobicContact CG1-CE1 3.48Å; V667-Y677 VanDerWaalsContact CG1-CE1 3.48Å; V667-Y677 HydrophobicContact CG1-CE2 3.75Å; V667-Y677 HydrophobicContact CG1-CG 3.99Å; V667-Y677 VanDerWaalsContact CG1-CZ 3.49Å; Y672-Y677 HydrophobicContact CD2-CD1 4.07Å; Y672-Y677 HydrophobicContact CD2-CG 4.24Å; Y672-Y677 HydrophobicContact CG-CD1 4.44Å; L673-Y677 VanDerWaalsContact O-CD1 3.29Å; L673-Y677 WeakPolarHBondContact O-CD1 3.37Å; Y677-M679 HydrophobicContact CD2-CG 4.17Å; Y677-M679 HydrophobicContact CD2-SD 4.3Å; Y677-M679 HydrophobicContact CE2-CG 3.86Å; Y677-M679 HydrophobicContact CE2-SD 4.22Å; Y677-I684 HydrophobicContact CD2-CD1 4.47Å; Y677-F685 CarbonylContact C-O 3.54Å; Y677-F685 WeakPolarHBondContact CA-O 3.48Å; Y677-F685 WeakPolarHBondContact CB-O 3.39Å |
| 678 | K | 88.6 | Confident | 85.5 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.7 | 164.8 | -72.9 | -152.5 | 177.4 | -173.5 | 0 | 110.3 | I435 E436 F631 F685 | I435-K678 HydrophobicContact CG2-CD 4.39Å; E436-K678 IonicContact OE2-NZ 2.85Å; E436-K678 PolarHBondContact OE2-NZ 3.05Å; F631-K678 HydrophobicContact CE1-CB 3.79Å; F631-K678 HydrophobicContact CE1-CG 3.83Å; F631-K678 HydrophobicContact CZ-CB 3.71Å; F631-K678 HydrophobicContact CZ-CD 3.91Å; F631-K678 HydrophobicContact CZ-CG 3.62Å; K678-F685 PolarHBondContact N-O 3.44Å; K678-F685 WeakPolarHBondContact O-CB 3.01Å; K678-F685 PolarHBondContact O-N 2.83Å |
| 679 | M | 88.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111.8 | 175.9 | -64.6 | -69.7 | -77.7 | 0 | 0 | 107.8 | Y637 A660 V663 E664 Y677 I684 | Y637-M679 HydrophobicContact CD1-CE 4.11Å; Y637-M679 HydrophobicContact CE1-CE 3.3Å; Y637-M679 HydrophobicContact CE1-SD 3.64Å; Y637-M679 VanDerWaalsContact OH-CA 3.3Å; Y637-M679 WeakPolarHBondContact OH-CA 3.24Å; Y637-M679 WeakPolarHBondContact OH-CB 3.5Å; A660-M679 HydrophobicContact CB-CE 4.48Å; A660-M679 WeakPolarHBondContact O-CE 3.37Å; V663-M679 HydrophobicContact CB-CE 4.42Å; V663-M679 HydrophobicContact CG1-CE 4.34Å; V663-M679 HydrophobicContact CG1-SD 4.32Å; E664-M679 HydrophobicContact CB-CE 4.18Å; Y677-M679 HydrophobicContact CD2-CG 4.17Å; Y677-M679 HydrophobicContact CD2-SD 4.3Å; Y677-M679 HydrophobicContact CE2-CG 3.86Å; Y677-M679 HydrophobicContact CE2-SD 4.22Å; M679-I684 HydrophobicContact SD-CB 4.43Å; M679-I684 HydrophobicContact SD-CD1 4.22Å; M679-I684 HydrophobicContact SD-CG1 4.24Å |
| 680 | G | 89.4 | Confident | 83.6 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | trans | -79.3 | -171.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E433 Y637 K683 | E433-G680 WeakPolarHBondContact O-CA 3.48Å; Y637-G680 PolarHBondContact OH-N 3.36Å; Y637-G680 VanDerWaalsContact OH-N 3.08Å; Y637-G680 PolarHBondContact OH-O 3.38Å; G680-K683 WeakPolarHBondContact CA-O 3.37Å; G680-K683 PolarHBondContact N-O 2.97Å | ||
| 681 | R | 88.5 | Confident | 83.3 | Confident | 183 Ų | 183 | 61.8 Ų | 61.8 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -67.7 | -39.6 | 175.2 | -70.3 | -179.9 | -176.2 | 166.4 | -3.7 | 112.9 | A432 E433 | A432-R681 WeakPolarHBondContact O-CD 3.4Å; A432-R681 PolarHBondContact O-NH1 2.81Å; E433-R681 PolarHBondContact O-N 3.33Å; E433-R681 VanDerWaalsContact O-N 3.12Å; E433-R681 PolarHBondContact OE2-N 3.15Å |
| 682 | T | 85.6 | Confident | 82.7 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -127.7 | -15.4 | -175.7 | 78.8 | 0 | 0 | 0 | 0 | 114.1 | E433 Y637 | E433-T682 PolarHBondContact OE1-OG1 2.93Å; E433-T682 PolarHBondContact OE2-N 3.17Å; Y637-T682 WeakPolarHBondContact CD2-O 3.46Å; Y637-T682 PolarHBondContact N-O 3.15Å |
| 683 | K | 88.1 | Confident | 81.9 | Confident | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | -174.2 | -61.7 | 169.8 | -166.4 | 172.5 | 0 | 112.2 | E429 E433 R635 K636 Y637 G680 F685 | E429-K683 WeakPolarHBondContact OE1-CD 3.24Å; E429-K683 WeakPolarHBondContact OE1-CE 3.46Å; E429-K683 IonicContact OE1-NZ 2.68Å; E429-K683 PolarHBondContact OE1-NZ 2.98Å; E429-K683 IonicContact OE2-NZ 3.39Å; E429-K683 PolarHBondContact OE2-NZ 3.37Å; E433-K683 PolarHBondContact OE2-N 2.96Å; R635-K683 CarbonylContact O-C 3.5Å; R635-K683 WeakPolarHBondContact O-CA 3.28Å; R635-K683 WeakPolarHBondContact O-CB 3.42Å; K636-K683 HydrophobicContact CG-CG 4.14Å; Y637-K683 VanDerWaalsContact CE1-C 3.49Å; Y637-K683 VanDerWaalsContact CZ-C 3.49Å; Y637-K683 PolarHBondContact OH-O 3.32Å; Y637-K683 VanDerWaalsContact OH-O 3.08Å; G680-K683 WeakPolarHBondContact CA-O 3.37Å; G680-K683 PolarHBondContact N-O 2.97Å; K683-F685 HydrophobicContact CB-CD2 4.28Å; K683-F685 HydrophobicContact CB-CE2 3.71Å; K683-F685 HydrophobicContact CB-CZ 4.29Å; K683-F685 WeakPolarHBondContact O-CD2 3.39Å |
| 684 | I | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 138.2 | 163.5 | -178.4 | 163.6 | 0 | 0 | 0 | 109.3 | R634 R635 Y637 F640 V663 V667 Y677 M679 I686 | R634-I684 VanDerWaalsContact CA-O 3.29Å; R634-I684 WeakPolarHBondContact CA-O 3.35Å; R635-I684 PolarHBondContact N-O 2.77Å; R635-I684 VanDerWaalsContact N-O 3.15Å; R635-I684 PolarHBondContact O-N 3.41Å; Y637-I684 HydrophobicContact CD1-CB 4.16Å; Y637-I684 HydrophobicContact CE1-CB 3.82Å; F640-I684 HydrophobicContact CB-CG2 4.04Å; F640-I684 HydrophobicContact CD1-CG2 4.08Å; F640-I684 HydrophobicContact CD2-CG2 3.85Å; F640-I684 HydrophobicContact CE1-CD1 4.15Å; F640-I684 HydrophobicContact CE2-CG2 4.31Å; F640-I684 HydrophobicContact CG-CG2 3.72Å; F640-I684 HydrophobicContact CZ-CD1 4.35Å; V663-I684 HydrophobicContact CG1-CB 4.14Å; V663-I684 HydrophobicContact CG1-CD1 3.51Å; V663-I684 HydrophobicContact CG1-CG1 4.38Å; V663-I684 HydrophobicContact CG1-CG2 4.38Å; V667-I684 HydrophobicContact CG2-CD1 3.54Å; Y677-I684 HydrophobicContact CD2-CD1 4.47Å; M679-I684 HydrophobicContact SD-CB 4.43Å; M679-I684 HydrophobicContact SD-CD1 4.22Å; M679-I684 HydrophobicContact SD-CG1 4.24Å; I684-I686 HydrophobicContact CD1-CG1 4.49Å; I684-I686 HydrophobicContact CG1-CG1 4.32Å |
| 685 | F | 86.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.1 | 176.9 | -71.7 | -99.7 | 0 | 0 | 0 | 109.7 | E429 Y430 E433 I435 F631 Y633 R634 Y677 K678 K683 | E429-F685 HydrophobicContact CG-CE1 4.45Å; E429-F685 HydrophobicContact CG-CZ 4.3Å; Y430-F685 HydrophobicContact CD1-CE1 4.13Å; Y430-F685 HydrophobicContact CE1-CD1 4.34Å; Y430-F685 AromaticContact CE1-CE1 3.92Å; Y430-F685 HydrophobicContact CE1-CE1 3.92Å; E433-F685 HydrophobicContact CB-CE2 3.87Å; E433-F685 HydrophobicContact CB-CZ 4.03Å; E433-F685 HydrophobicContact CG-CE2 3.81Å; E433-F685 HydrophobicContact CG-CZ 3.78Å; I435-F685 HydrophobicContact CD1-CB 4.15Å; I435-F685 HydrophobicContact CD1-CD1 4Å; I435-F685 HydrophobicContact CD1-CD2 3.2Å; I435-F685 HydrophobicContact CD1-CE1 4.17Å; I435-F685 HydrophobicContact CD1-CE2 3.41Å; I435-F685 VanDerWaalsContact CD1-CE2 3.41Å; I435-F685 HydrophobicContact CD1-CG 3.52Å; I435-F685 HydrophobicContact CD1-CZ 3.91Å; F631-F685 HydrophobicContact CB-CB 3.87Å; F631-F685 HydrophobicContact CB-CD1 3.85Å; F631-F685 HydrophobicContact CB-CG 4.38Å; F631-F685 HydrophobicContact CD1-CB 3.56Å; F631-F685 HydrophobicContact CD2-CB 4.06Å; F631-F685 HydrophobicContact CD2-CD1 4.06Å; F631-F685 HydrophobicContact CD2-CG 4.4Å; F631-F685 HydrophobicContact CE1-CB 4.1Å; F631-F685 HydrophobicContact CG-CB 3.56Å; F631-F685 HydrophobicContact CG-CD1 4.03Å; F631-F685 HydrophobicContact CG-CG 4.24Å; Y633-F685 CarbonylContact O-C 3.58Å; Y633-F685 WeakPolarHBondContact O-CA 3.25Å; R634-F685 HydrophobicContact CB-CD1 3.78Å; R634-F685 HydrophobicContact CB-CE1 3.76Å; R634-F685 HydrophobicContact CB-CG 4.37Å; R634-F685 HydrophobicContact CB-CZ 4.32Å; R634-F685 HydrophobicContact CG-CE1 4.46Å; Y677-F685 CarbonylContact C-O 3.54Å; Y677-F685 WeakPolarHBondContact CA-O 3.48Å; Y677-F685 WeakPolarHBondContact CB-O 3.39Å; K678-F685 PolarHBondContact N-O 3.44Å; K678-F685 WeakPolarHBondContact O-CB 3.01Å; K678-F685 PolarHBondContact O-N 2.83Å; K683-F685 HydrophobicContact CB-CD2 4.28Å; K683-F685 HydrophobicContact CB-CE2 3.71Å; K683-F685 HydrophobicContact CB-CZ 4.29Å; K683-F685 WeakPolarHBondContact O-CD2 3.39Å |
| 686 | I | 84.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.3 | 178.9 | -56.1 | 175.2 | 0 | 0 | 0 | 108.1 | F631 A632 Y633 F640 Y672 E676 I684 H688 T691 L692 | F631-I686 CarbonylContact C-O 3.49Å; A632-I686 PolarHBondContact N-O 3.29Å; Y633-I686 HydrophobicContact CD1-CD1 3.92Å; Y633-I686 HydrophobicContact CD1-CG1 4.35Å; Y633-I686 PolarHBondContact N-O 3.08Å; Y633-I686 VanDerWaalsContact N-O 3.09Å; Y633-I686 PolarHBondContact O-N 3.25Å; F640-I686 HydrophobicContact CE2-CD1 4.07Å; F640-I686 HydrophobicContact CZ-CD1 4.22Å; Y672-I686 HydrophobicContact CE2-CD1 3.96Å; Y672-I686 HydrophobicContact CE2-CG1 4.3Å; E676-I686 CarbonylContact O-C 3.56Å; E676-I686 WeakPolarHBondContact O-CA 3.25Å; I684-I686 HydrophobicContact CD1-CG1 4.49Å; I684-I686 HydrophobicContact CG1-CG1 4.32Å; I686-H688 WeakPolarHBondContact CG2-O 3.47Å; I686-T691 HydrophobicContact CG2-CG2 4.2Å; I686-L692 HydrophobicContact CD1-CD1 4.24Å |
| 687 | R | 77.6 | Confident | 81 | Confident | 76 Ų | 76 | 51 Ų | 51 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -73.6 | -51.5 | -173.8 | -165.8 | 174 | -168.1 | 157.2 | 6.1 | 111.2 | E438 F631 A632 D675 E676 | E438-R687 IonicContact OE2-NH2 3.47Å; F631-R687 HydrophobicContact CD1-CB 3.94Å; F631-R687 HydrophobicContact CE1-CB 4.19Å; A632-R687 WeakPolarHBondContact CB-O 3.41Å; A632-R687 PolarHBondContact N-O 2.89Å; D675-R687 WeakPolarHBondContact O-CD 3.49Å; E676-R687 WeakPolarHBondContact O-CB 3.38Å; E676-R687 PolarHBondContact O-N 3.34Å |
| 688 | H | 72.3 | Confident | 80.7 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | trans | -100.5 | 124.2 | -176.2 | -63 | -53.6 | 0 | 0 | 0 | 111.4 | I686 R690 T691 | I686-H688 WeakPolarHBondContact CG2-O 3.47Å; H688-R690 PolarHBondContact O-N 3.37Å; H688-R690 VanDerWaalsContact O-N 3.13Å; H688-T691 WeakPolarHBondContact O-CB 3.5Å; H688-T691 PolarHBondContact O-N 2.84Å; H688-T691 VanDerWaalsContact O-N 3.09Å | ||
| 689 | P | 65.7 | Low | 80.4 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -17.5 | 177.7 | 5.6 | -1.5 | 0 | 0 | 0 | 112.7 | V20 L21 A632 T691 L692 Y693 | V20-P689 HydrophobicContact CB-CG 4.02Å; V20-P689 HydrophobicContact CG1-CG 3.65Å; L21-P689 HydrophobicContact CD2-CB 3.49Å; L21-P689 VanDerWaalsContact CD2-CB 3.49Å; L21-P689 HydrophobicContact CD2-CG 3.48Å; L21-P689 VanDerWaalsContact CD2-CG 3.48Å; L21-P689 HydrophobicContact CG-CB 4.08Å; L21-P689 HydrophobicContact CG-CG 3.88Å; A632-P689 HydrophobicContact CB-CB 4.14Å; A632-P689 HydrophobicContact CB-CG 3.59Å; P689-T691 VanDerWaalsContact C-N 3.29Å; P689-T691 PolarHBondContact O-N 2.93Å; P689-L692 WeakPolarHBondContact O-CB 3.3Å; P689-L692 PolarHBondContact O-N 3.11Å; P689-Y693 HydrophobicContact CB-CD2 4.49Å; P689-Y693 HydrophobicContact CB-CE2 4.04Å; P689-Y693 WeakPolarHBondContact O-CD2 3.39Å; P689-Y693 PolarHBondContact O-N 2.98Å |
| 690 | R | 71.8 | Confident | 79.8 | Confident | 192 Ų | 192 | 51.2 Ų | 51.2 | 73% | 0.725 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -56 | -43.4 | 170.4 | -178.9 | 179.6 | 177 | 175.9 | -1.6 | 112 | L21 H688 L692 Y693 A694 | L21-R690 HydrophobicContact CD2-CB 4.34Å; L21-R690 VanDerWaalsContact CD2-N 3.29Å; H688-R690 PolarHBondContact O-N 3.37Å; H688-R690 VanDerWaalsContact O-N 3.13Å; R690-L692 VanDerWaalsContact C-N 3.32Å; R690-Y693 PolarHBondContact O-N 3.5Å; R690-A694 PolarHBondContact O-N 3.18Å |
| 691 | T | 78.9 | Confident | 79.4 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | Y672 E676 I686 H688 P689 T695 | Y672-T691 HydrophobicContact CD1-CG2 3.49Å; Y672-T691 VanDerWaalsContact CD1-CG2 3.49Å; Y672-T691 HydrophobicContact CD2-CG2 3.57Å; Y672-T691 HydrophobicContact CE1-CG2 3.4Å; Y672-T691 HydrophobicContact CE2-CG2 3.5Å; Y672-T691 HydrophobicContact CG-CG2 3.59Å; Y672-T691 VanDerWaalsContact CZ-CG2 3.41Å; E676-T691 HydrophobicContact CB-CG2 4.5Å; E676-T691 VanDerWaalsContact CD-OG1 3.28Å; E676-T691 VanDerWaalsContact OE2-CG2 3.26Å; E676-T691 WeakPolarHBondContact OE2-CG2 3.45Å; E676-T691 PolarHBondContact OE2-OG1 3.23Å; I686-T691 HydrophobicContact CG2-CG2 4.2Å; H688-T691 WeakPolarHBondContact O-CB 3.5Å; H688-T691 PolarHBondContact O-N 2.84Å; H688-T691 VanDerWaalsContact O-N 3.09Å; P689-T691 VanDerWaalsContact C-N 3.29Å; P689-T691 PolarHBondContact O-N 2.93Å; T691-T695 PolarHBondContact O-N 2.84Å; T691-T695 PolarHBondContact O-OG1 3.16Å |
| 692 | L | 74.4 | Confident | 79.3 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 173.5 | -178.2 | 71 | 0 | 0 | 0 | 111.9 | Y633 I686 P689 R690 A694 T695 E696 | Y633-L692 HydrophobicContact CD1-CD1 3.89Å; Y633-L692 HydrophobicContact CD2-CD1 4.05Å; Y633-L692 HydrophobicContact CD2-CD2 3.42Å; Y633-L692 VanDerWaalsContact CD2-CD2 3.42Å; Y633-L692 HydrophobicContact CD2-CG 4.38Å; Y633-L692 HydrophobicContact CE1-CD1 3.89Å; Y633-L692 HydrophobicContact CE2-CD1 4.04Å; Y633-L692 HydrophobicContact CE2-CD2 3.93Å; Y633-L692 HydrophobicContact CG-CD1 3.94Å; Y633-L692 HydrophobicContact CG-CD2 3.74Å; Y633-L692 HydrophobicContact CG-CG 4.41Å; I686-L692 HydrophobicContact CD1-CD1 4.24Å; P689-L692 WeakPolarHBondContact O-CB 3.3Å; P689-L692 PolarHBondContact O-N 3.11Å; R690-L692 VanDerWaalsContact C-N 3.32Å; L692-A694 VanDerWaalsContact C-N 3.32Å; L692-A694 PolarHBondContact O-N 3.21Å; L692-T695 WeakPolarHBondContact O-CA 3.5Å; L692-T695 WeakPolarHBondContact O-CB 3.48Å; L692-T695 PolarHBondContact O-N 2.9Å; L692-E696 PolarHBondContact O-N 3.36Å |
| 693 | Y | 71.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 52 Ų | 52 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 179.1 | -70 | -57.3 | 0 | 0 | 0 | 112.5 | L21 P689 R690 T695 E696 D697 | L21-Y693 HydrophobicContact CD1-CD2 3.98Å; L21-Y693 HydrophobicContact CD1-CE2 3.27Å; L21-Y693 HydrophobicContact CD2-CD2 4.08Å; L21-Y693 HydrophobicContact CD2-CE2 3.9Å; L21-Y693 HydrophobicContact CG-CE2 4.03Å; P689-Y693 HydrophobicContact CB-CD2 4.49Å; P689-Y693 HydrophobicContact CB-CE2 4.04Å; P689-Y693 WeakPolarHBondContact O-CD2 3.39Å; P689-Y693 PolarHBondContact O-N 2.98Å; R690-Y693 PolarHBondContact O-N 3.5Å; Y693-T695 PolarHBondContact O-N 3.48Å; Y693-E696 PolarHBondContact O-N 2.87Å; Y693-D697 WeakPolarHBondContact O-CB 3.18Å; Y693-D697 PolarHBondContact O-N 2.89Å |
| 694 | A | 79.1 | Confident | 78.8 | Confident | 56 Ų | 56 | 55 Ų | 55 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.1 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R690 L692 A698 | R690-A694 PolarHBondContact O-N 3.18Å; L692-A694 VanDerWaalsContact C-N 3.32Å; L692-A694 PolarHBondContact O-N 3.21Å; A694-A698 WeakPolarHBondContact O-CB 3.33Å; A694-A698 PolarHBondContact O-N 3.39Å; A694-A698 VanDerWaalsContact O-N 3.09Å |
| 695 | T | 81.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.4 | -40.4 | 179.7 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | Y644 L647 L670 Y672 T691 L692 Y693 A698 Y699 | Y644-T695 HydrophobicContact CD1-CG2 3.86Å; Y644-T695 HydrophobicContact CE1-CG2 3.93Å; Y644-T695 HydrophobicContact CG-CG2 4.25Å; L647-T695 HydrophobicContact CD1-CG2 3.7Å; L670-T695 HydrophobicContact CD1-CG2 3.71Å; Y672-T695 WeakPolarHBondContact CE1-OG1 3.2Å; Y672-T695 WeakPolarHBondContact OH-CB 3.1Å; Y672-T695 PolarHBondContact OH-OG1 2.9Å; T691-T695 PolarHBondContact O-N 2.84Å; T691-T695 PolarHBondContact O-OG1 3.16Å; L692-T695 WeakPolarHBondContact O-CA 3.5Å; L692-T695 WeakPolarHBondContact O-CB 3.48Å; L692-T695 PolarHBondContact O-N 2.9Å; Y693-T695 PolarHBondContact O-N 3.48Å; T695-A698 PolarHBondContact O-N 3.45Å; T695-Y699 WeakPolarHBondContact O-CB 3.44Å; T695-Y699 PolarHBondContact O-N 3.31Å |
| 696 | E | 76.8 | Confident | 78.9 | Confident | 45 Ų | 45 | 62 Ų | 62 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 172.2 | -74.7 | -72.1 | -173 | 0 | 0 | 111.6 | R643 Y644 L692 Y693 A698 Y699 E700 | R643-E696 IonicContact CZ-OE1 3.59Å; R643-E696 VanDerWaalsContact CZ-OE1 3.24Å; R643-E696 IonicContact CZ-OE2 2.89Å; R643-E696 IonicContact NE-OE1 3.86Å; R643-E696 PolarHBondContact NE-OE1 3.46Å; R643-E696 IonicContact NE-OE2 2.8Å; R643-E696 VanDerWaalsContact NH2-CD 3.34Å; R643-E696 IonicContact NH2-OE1 3.04Å; R643-E696 PolarHBondContact NH2-OE1 3.19Å; R643-E696 IonicContact NH2-OE2 2.77Å; R643-E696 PolarHBondContact NH2-OE2 2.77Å; Y644-E696 HydrophobicContact CE1-CG 4.38Å; Y644-E696 VanDerWaalsContact OH-CD 3.26Å; Y644-E696 PolarHBondContact OH-OE1 2.89Å; L692-E696 PolarHBondContact O-N 3.36Å; Y693-E696 PolarHBondContact O-N 2.87Å; E696-A698 VanDerWaalsContact C-N 3.32Å; E696-A698 PolarHBondContact O-N 3.27Å; E696-Y699 WeakPolarHBondContact O-CA 3.42Å; E696-Y699 WeakPolarHBondContact O-CB 3.24Å; E696-Y699 PolarHBondContact O-N 3.37Å; E696-E700 PolarHBondContact O-N 2.87Å |
| 697 | D | 75.2 | Confident | 79.1 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 175.7 | -70.8 | -18.4 | 0 | 0 | 0 | 111.5 | Y693 Y699 K701 | Y693-D697 WeakPolarHBondContact O-CB 3.18Å; Y693-D697 PolarHBondContact O-N 2.89Å; D697-Y699 VanDerWaalsContact C-N 3.31Å; D697-K701 WeakPolarHBondContact O-CG 3.09Å; D697-K701 PolarHBondContact O-N 3.5Å |
| 698 | A | 81.4 | Confident | 79.8 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L647 A694 T695 E696 C702 | L647-A698 HydrophobicContact CD2-CB 3.9Å; A694-A698 WeakPolarHBondContact O-CB 3.33Å; A694-A698 PolarHBondContact O-N 3.39Å; A694-A698 VanDerWaalsContact O-N 3.09Å; T695-A698 PolarHBondContact O-N 3.45Å; E696-A698 VanDerWaalsContact C-N 3.32Å; E696-A698 PolarHBondContact O-N 3.27Å; A698-C702 WeakPolarHBondContact O-CB 3.34Å; A698-C702 PolarHBondContact O-N 3.03Å |
| 699 | Y | 82.3 | Confident | 80.7 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.7 | -41.9 | -179.4 | 180 | -110.1 | 0 | 0 | 0 | 111.9 | R643 Y644 P646 L647 T695 E696 D697 C702 K703 | R643-Y699 WeakPolarHBondContact O-CE2 3.25Å; Y644-Y699 HydrophobicContact CD1-CD2 4.28Å; Y644-Y699 HydrophobicContact CD1-CG 4.25Å; Y644-Y699 HydrophobicContact CE1-CG 4.46Å; P646-Y699 HydrophobicContact CG-CE2 3.95Å; L647-Y699 HydrophobicContact CG-CD2 4.48Å; T695-Y699 WeakPolarHBondContact O-CB 3.44Å; T695-Y699 PolarHBondContact O-N 3.31Å; E696-Y699 WeakPolarHBondContact O-CA 3.42Å; E696-Y699 WeakPolarHBondContact O-CB 3.24Å; E696-Y699 PolarHBondContact O-N 3.37Å; D697-Y699 VanDerWaalsContact C-N 3.31Å; Y699-C702 WeakPolarHBondContact O-CB 3.49Å; Y699-C702 PolarHBondContact O-N 2.92Å; Y699-K703 PolarHBondContact O-N 3.26Å |
| 700 | E | 76 | Confident | 82 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.8 | -169.8 | 164.3 | -159.1 | 0 | 0 | 111.8 | M4 E696 C702 K703 H704 | M4-E700 HydrophobicContact CE-CG 3.9Å; E696-E700 PolarHBondContact O-N 2.87Å; E700-C702 PolarHBondContact O-N 3.31Å; E700-K703 WeakPolarHBondContact O-CB 3.41Å; E700-K703 PolarHBondContact O-N 3.29Å; E700-H704 PolarHBondContact O-CD2 3.34Å; E700-H704 PolarHBondContact O-N 2.76Å |
| 701 | K | 82 | Confident | 83 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 171.3 | -70.5 | 172.5 | -174.9 | 172.1 | 0 | 111.5 | M4 D697 K703 H704 D705 | M4-K701 HydrophobicContact SD-CG 4.47Å; D697-K701 WeakPolarHBondContact O-CG 3.09Å; D697-K701 PolarHBondContact O-N 3.5Å; K701-K703 VanDerWaalsContact C-N 3.3Å; K701-K703 PolarHBondContact O-N 2.66Å; K701-H704 WeakPolarHBondContact O-CB 3.24Å; K701-H704 PolarHBondContact O-N 3.17Å; K701-H704 VanDerWaalsContact O-N 3.15Å; K701-D705 PolarHBondContact O-N 2.84Å; K701-D705 VanDerWaalsContact O-N 3.14Å |
| 702 | C | 85.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60 | -38.5 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | L647 A698 Y699 E700 H704 D705 L706 | L647-C702 HydrophobicContact CD2-CB 4.1Å; A698-C702 WeakPolarHBondContact O-CB 3.34Å; A698-C702 PolarHBondContact O-N 3.03Å; Y699-C702 WeakPolarHBondContact O-CB 3.49Å; Y699-C702 PolarHBondContact O-N 2.92Å; E700-C702 PolarHBondContact O-N 3.31Å; C702-H704 VanDerWaalsContact C-N 3.33Å; C702-H704 PolarHBondContact O-N 2.88Å; C702-D705 WeakPolarHBondContact O-CB 3.37Å; C702-D705 PolarHBondContact O-N 2.77Å; C702-L706 WeakPolarHBondContact O-CG 3.42Å; C702-L706 PolarHBondContact O-N 2.94Å |
| 703 | K | 81.3 | Confident | 84.6 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 176.1 | -174 | -179.8 | 177.5 | -178.9 | 0 | 111.8 | Y699 E700 K701 L706 A707 | Y699-K703 PolarHBondContact O-N 3.26Å; E700-K703 WeakPolarHBondContact O-CB 3.41Å; E700-K703 PolarHBondContact O-N 3.29Å; K701-K703 VanDerWaalsContact C-N 3.3Å; K701-K703 PolarHBondContact O-N 2.66Å; K703-L706 PolarHBondContact O-N 2.81Å; K703-A707 WeakPolarHBondContact O-CB 3.38Å; K703-A707 PolarHBondContact O-N 2.88Å |
| 704 | H | 83.2 | Confident | 85.7 | Confident | 102 Ų | 102 | 84.7 Ų | 84.7 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 174.7 | -73.8 | -62 | 0 | 0 | 0 | 112.5 | E700 K701 C702 A707 S708 | E700-H704 PolarHBondContact O-CD2 3.34Å; E700-H704 PolarHBondContact O-N 2.76Å; K701-H704 WeakPolarHBondContact O-CB 3.24Å; K701-H704 PolarHBondContact O-N 3.17Å; K701-H704 VanDerWaalsContact O-N 3.15Å; C702-H704 VanDerWaalsContact C-N 3.33Å; C702-H704 PolarHBondContact O-N 2.88Å; H704-A707 PolarHBondContact O-N 3.15Å; H704-S708 WeakPolarHBondContact O-CB 3.37Å; H704-S708 PolarHBondContact O-N 2.88Å; H704-S708 PolarHBondContact O-OG 3.09Å |
| 705 | D | 87.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 88.5 Ų | 88.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.3 | -70.2 | -20.7 | 0 | 0 | 0 | 112.2 | K701 C702 S708 K709 | K701-D705 PolarHBondContact O-N 2.84Å; K701-D705 VanDerWaalsContact O-N 3.14Å; C702-D705 WeakPolarHBondContact O-CB 3.37Å; C702-D705 PolarHBondContact O-N 2.77Å; D705-S708 WeakPolarHBondContact O-CB 3.31Å; D705-S708 PolarHBondContact O-N 3.47Å; D705-K709 WeakPolarHBondContact O-CG 3.28Å; D705-K709 PolarHBondContact O-N 3.46Å |
| 706 | L | 88.1 | Confident | 87 | Confident | 51 Ų | 51 | 90.4 Ų | 90.4 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.7 | -72.4 | 175.4 | 0 | 0 | 0 | 111.6 | P646 W652 C702 K703 S708 K709 L710 | P646-L706 HydrophobicContact CB-CD1 4.05Å; P646-L706 HydrophobicContact CG-CD1 4.44Å; W652-L706 HydrophobicContact CH2-CD1 4.18Å; W652-L706 HydrophobicContact CZ2-CD1 4.22Å; W652-L706 HydrophobicContact CZ2-CD2 3.9Å; C702-L706 WeakPolarHBondContact O-CG 3.42Å; C702-L706 PolarHBondContact O-N 2.94Å; K703-L706 PolarHBondContact O-N 2.81Å; L706-S708 VanDerWaalsContact C-N 3.31Å; L706-S708 PolarHBondContact O-N 2.94Å; L706-K709 PolarHBondContact O-N 2.87Å; L706-L710 PolarHBondContact O-N 3.45Å |
| 707 | A | 89.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 34% | 0.339 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K703 H704 L710 Q711 | K703-A707 WeakPolarHBondContact O-CB 3.38Å; K703-A707 PolarHBondContact O-N 2.88Å; H704-A707 PolarHBondContact O-N 3.15Å; A707-L710 PolarHBondContact O-N 3.21Å; A707-Q711 WeakPolarHBondContact O-CB 3.45Å; A707-Q711 VanDerWaalsContact O-CG 3.25Å; A707-Q711 WeakPolarHBondContact O-CG 3.37Å; A707-Q711 PolarHBondContact O-N 3.25Å |
| 708 | S | 92 | Very high | 88.7 | Confident | 65 Ų | 65 | 98.5 Ų | 98.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | H704 D705 L706 L710 Q711 A712 | H704-S708 WeakPolarHBondContact O-CB 3.37Å; H704-S708 PolarHBondContact O-N 2.88Å; H704-S708 PolarHBondContact O-OG 3.09Å; D705-S708 WeakPolarHBondContact O-CB 3.31Å; D705-S708 PolarHBondContact O-N 3.47Å; L706-S708 VanDerWaalsContact C-N 3.31Å; L706-S708 PolarHBondContact O-N 2.94Å; S708-L710 PolarHBondContact O-N 3.24Å; S708-Q711 PolarHBondContact O-N 3.46Å; S708-A712 WeakPolarHBondContact O-CB 3.28Å; S708-A712 PolarHBondContact O-N 2.9Å |
| 709 | K | 91.1 | Very high | 89.4 | Confident | 147 Ų | 147 | 101.3 Ų | 101.3 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 174.2 | -72.8 | 170.6 | -176.6 | 170.1 | 0 | 111.9 | D705 L706 K713 | D705-K709 WeakPolarHBondContact O-CG 3.28Å; D705-K709 PolarHBondContact O-N 3.46Å; L706-K709 PolarHBondContact O-N 2.87Å; K709-K713 WeakPolarHBondContact O-CB 3.37Å; K709-K713 PolarHBondContact O-N 3.43Å |
| 710 | L | 92.8 | Very high | 89.9 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -48.9 | 176.9 | -170.2 | 91.2 | 0 | 0 | 0 | 111.1 | L706 A707 S708 A712 K713 Y714 | L706-L710 PolarHBondContact O-N 3.45Å; A707-L710 PolarHBondContact O-N 3.21Å; S708-L710 PolarHBondContact O-N 3.24Å; L710-A712 PolarHBondContact O-N 3.05Å; L710-K713 PolarHBondContact O-N 3.04Å; L710-Y714 WeakPolarHBondContact O-CB 3.46Å; L710-Y714 PolarHBondContact O-N 3.35Å |
| 711 | Q | 92.1 | Very high | 90.7 | Very high | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178.9 | -73.7 | 176.1 | 2.9 | 0 | 0 | 111.8 | A707 S708 Y714 K715 | A707-Q711 WeakPolarHBondContact O-CB 3.45Å; A707-Q711 VanDerWaalsContact O-CG 3.25Å; A707-Q711 WeakPolarHBondContact O-CG 3.37Å; A707-Q711 PolarHBondContact O-N 3.25Å; S708-Q711 PolarHBondContact O-N 3.46Å; Q711-Y714 PolarHBondContact O-N 3.4Å; Q711-K715 WeakPolarHBondContact O-CB 3.36Å; Q711-K715 VanDerWaalsContact O-CG 3.28Å; Q711-K715 WeakPolarHBondContact O-CG 3.39Å; Q711-K715 PolarHBondContact O-N 3.27Å |
| 712 | A | 94.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 100.6 Ų | 100.6 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S708 L710 K715 G716 | S708-A712 WeakPolarHBondContact O-CB 3.28Å; S708-A712 PolarHBondContact O-N 2.9Å; L710-A712 PolarHBondContact O-N 3.05Å; A712-K715 PolarHBondContact O-N 2.82Å; A712-G716 PolarHBondContact O-N 2.88Å |
| 713 | K | 94.1 | Very high | 91.7 | Very high | 175 Ų | 175 | 105.3 Ų | 105.3 | 76% | 0.761 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 178 | -164.1 | 169.8 | -175.2 | 176.2 | 0 | 112.1 | K709 L710 Y717 | K709-K713 WeakPolarHBondContact O-CB 3.37Å; K709-K713 PolarHBondContact O-N 3.43Å; L710-K713 PolarHBondContact O-N 3.04Å; K713-Y717 WeakPolarHBondContact O-CB 3.45Å; K713-Y717 PolarHBondContact O-N 3.22Å |
| 714 | Y | 94.3 | Very high | 92.3 | Very high | 147 Ų | 147 | 104.6 Ų | 104.6 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -48.1 | 175.3 | 174.6 | -99 | 0 | 0 | 0 | 112.2 | L710 Q711 G716 Y717 K718 | L710-Y714 WeakPolarHBondContact O-CB 3.46Å; L710-Y714 PolarHBondContact O-N 3.35Å; Q711-Y714 PolarHBondContact O-N 3.4Å; Y714-G716 VanDerWaalsContact C-N 3.32Å; Y714-G716 PolarHBondContact O-N 2.89Å; Y714-Y717 PolarHBondContact O-N 3.35Å; Y714-K718 PolarHBondContact O-N 3.21Å |
| 715 | K | 93.2 | Very high | 92.8 | Very high | 136 Ų | 136 | 107.2 Ų | 107.2 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 176 | -73.9 | 175.6 | -179.4 | 178.4 | 0 | 110.9 | Q711 A712 K718 V719 | Q711-K715 WeakPolarHBondContact O-CB 3.36Å; Q711-K715 VanDerWaalsContact O-CG 3.28Å; Q711-K715 WeakPolarHBondContact O-CG 3.39Å; Q711-K715 PolarHBondContact O-N 3.27Å; A712-K715 PolarHBondContact O-N 2.82Å; K715-K718 PolarHBondContact O-N 2.88Å; K715-V719 WeakPolarHBondContact O-CG2 3.19Å; K715-V719 PolarHBondContact O-N 2.89Å |
| 716 | G | 94.5 | Very high | 93 | Very high | 42 Ų | 42 | 108.9 Ų | 108.9 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A712 Y714 K720 | A712-G716 PolarHBondContact O-N 2.88Å; Y714-G716 VanDerWaalsContact C-N 3.32Å; Y714-G716 PolarHBondContact O-N 2.89Å; G716-K720 VanDerWaalsContact O-CB 3.23Å; G716-K720 WeakPolarHBondContact O-CB 3.23Å; G716-K720 PolarHBondContact O-N 3.37Å |
| 717 | Y | 94.4 | Very high | 93.4 | Very high | 180 Ų | 180 | 112.7 Ų | 112.7 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.1 | -47.3 | 174.8 | 172.1 | -95.7 | 0 | 0 | 0 | 111.9 | K713 Y714 K720 G721 | K713-Y717 WeakPolarHBondContact O-CB 3.45Å; K713-Y717 PolarHBondContact O-N 3.22Å; Y714-Y717 PolarHBondContact O-N 3.35Å; Y717-K720 PolarHBondContact O-N 2.92Å; Y717-G721 PolarHBondContact O-N 2.88Å |
| 718 | K | 94.2 | Very high | 93.6 | Very high | 106 Ų | 106 | 116.3 Ų | 116.3 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.8 | -52.5 | 179.5 | -175.7 | -179.6 | 175.5 | -177.8 | 0 | 111.6 | Y714 K715 K720 G721 E722 | Y714-K718 PolarHBondContact O-N 3.21Å; K715-K718 PolarHBondContact O-N 2.88Å; K718-K720 PolarHBondContact O-N 3.32Å; K718-G721 PolarHBondContact O-N 3.41Å; K718-G721 VanDerWaalsContact O-N 3.16Å; K718-E722 WeakPolarHBondContact CE-OE1 3.45Å; K718-E722 PolarHBondContact O-N 2.98Å |
| 719 | V | 94.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 115.6 Ų | 115.6 | 56% | 0.564 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 179.9 | 175 | 0 | 0 | 0 | 0 | 111.2 | K715 G721 E722 F723 | K715-V719 WeakPolarHBondContact O-CG2 3.19Å; K715-V719 PolarHBondContact O-N 2.89Å; V719-G721 VanDerWaalsContact C-N 3.3Å; V719-G721 PolarHBondContact O-N 3.16Å; V719-E722 PolarHBondContact O-N 3.44Å; V719-F723 WeakPolarHBondContact O-CB 3.35Å; V719-F723 PolarHBondContact O-N 2.97Å |
| 720 | K | 93.9 | Very high | 93.9 | Very high | 140 Ų | 140 | 110.7 Ų | 110.7 | 61% | 0.609 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | 176.3 | -170.7 | 173.7 | -176 | 175.1 | 0 | 112 | G716 Y717 K718 K724 | G716-K720 VanDerWaalsContact O-CB 3.23Å; G716-K720 WeakPolarHBondContact O-CB 3.23Å; G716-K720 PolarHBondContact O-N 3.37Å; Y717-K720 PolarHBondContact O-N 2.92Å; K718-K720 PolarHBondContact O-N 3.32Å; K720-K724 WeakPolarHBondContact O-CG 3.46Å; K720-K724 PolarHBondContact O-N 2.85Å; K720-K724 VanDerWaalsContact O-N 3.09Å |
| 721 | G | 92.8 | Very high | 94 | Very high | 31 Ų | 31 | 107.7 Ų | 107.7 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y717 K718 V719 K724 K725 | Y717-G721 PolarHBondContact O-N 2.88Å; K718-G721 PolarHBondContact O-N 3.41Å; K718-G721 VanDerWaalsContact O-N 3.16Å; V719-G721 VanDerWaalsContact C-N 3.3Å; V719-G721 PolarHBondContact O-N 3.16Å; G721-K724 PolarHBondContact O-N 3.08Å; G721-K725 PolarHBondContact O-N 3.13Å |
| 722 | E | 93.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 109.2 Ų | 109.2 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.1 | -72.1 | 172.2 | -175.2 | 0 | 0 | 111.8 | K718 V719 K724 K725 Q726 | K718-E722 WeakPolarHBondContact CE-OE1 3.45Å; K718-E722 PolarHBondContact O-N 2.98Å; V719-E722 PolarHBondContact O-N 3.44Å; E722-K724 PolarHBondContact O-N 3.13Å; E722-K725 WeakPolarHBondContact O-CB 3.37Å; E722-K725 PolarHBondContact O-N 2.67Å; E722-Q726 WeakPolarHBondContact O-CG 3.46Å; E722-Q726 PolarHBondContact O-N 3.37Å |
| 723 | F | 94.6 | Very high | 94.1 | Very high | 124 Ų | 124 | 112 Ų | 112 | 54% | 0.544 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.9 | 178.7 | -103.2 | 0 | 0 | 0 | 112.6 | V719 K725 Q726 K727 | V719-F723 WeakPolarHBondContact O-CB 3.35Å; V719-F723 PolarHBondContact O-N 2.97Å; F723-K725 PolarHBondContact O-N 3.38Å; F723-Q726 PolarHBondContact O-N 2.91Å; F723-K727 WeakPolarHBondContact O-CB 3.36Å; F723-K727 PolarHBondContact O-N 3.42Å |
| 724 | K | 94.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 108.3 Ų | 108.3 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 174.7 | -81.6 | -175.6 | 175.1 | -170.6 | 0 | 111.7 | K720 G721 E722 Q726 K727 E728 | K720-K724 WeakPolarHBondContact O-CG 3.46Å; K720-K724 PolarHBondContact O-N 2.85Å; K720-K724 VanDerWaalsContact O-N 3.09Å; G721-K724 PolarHBondContact O-N 3.08Å; E722-K724 PolarHBondContact O-N 3.13Å; K724-Q726 PolarHBondContact O-N 3.15Å; K724-K727 PolarHBondContact O-N 3.26Å; K724-E728 WeakPolarHBondContact O-CG 3.41Å; K724-E728 PolarHBondContact O-N 3.2Å |
| 725 | K | 92.9 | Very high | 94 | Very high | 156 Ų | 156 | 105.2 Ų | 105.2 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 176.3 | -70.3 | -179.8 | 178.6 | -177.9 | 0 | 111.8 | G721 E722 F723 E728 A729 | G721-K725 PolarHBondContact O-N 3.13Å; E722-K725 WeakPolarHBondContact O-CB 3.37Å; E722-K725 PolarHBondContact O-N 2.67Å; F723-K725 PolarHBondContact O-N 3.38Å; K725-E728 PolarHBondContact O-N 3.08Å; K725-A729 WeakPolarHBondContact O-CB 3.31Å; K725-A729 PolarHBondContact O-N 3.36Å |
| 726 | Q | 93.3 | Very high | 94 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 176 | -72.4 | 177.2 | -10.7 | 0 | 0 | 111.8 | E722 F723 K724 A729 A730 | E722-Q726 WeakPolarHBondContact O-CG 3.46Å; E722-Q726 PolarHBondContact O-N 3.37Å; F723-Q726 PolarHBondContact O-N 2.91Å; K724-Q726 PolarHBondContact O-N 3.15Å; Q726-A729 PolarHBondContact O-N 2.93Å; Q726-A730 WeakPolarHBondContact O-CB 3.49Å; Q726-A730 PolarHBondContact O-N 3.09Å |
| 727 | K | 94.6 | Very high | 93.8 | Very high | 131 Ų | 131 | 109 Ų | 109 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 177.8 | -174.7 | 178 | 178.2 | 178.3 | 0 | 112.2 | F723 K724 A730 T731 | F723-K727 WeakPolarHBondContact O-CB 3.36Å; F723-K727 PolarHBondContact O-N 3.42Å; K724-K727 PolarHBondContact O-N 3.26Å; K727-A730 PolarHBondContact O-N 2.89Å; K727-T731 WeakPolarHBondContact O-CB 3.3Å; K727-T731 PolarHBondContact O-N 3.32Å; K727-T731 PolarHBondContact O-OG1 3.49Å |
| 728 | E | 94.6 | Very high | 93.7 | Very high | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 175.4 | -74.4 | 172.1 | -164.6 | 0 | 0 | 111.7 | K724 K725 T731 K732 | K724-E728 WeakPolarHBondContact O-CG 3.41Å; K724-E728 PolarHBondContact O-N 3.2Å; K725-E728 PolarHBondContact O-N 3.08Å; E728-T731 PolarHBondContact O-N 3.09Å; E728-K732 WeakPolarHBondContact O-CG 3.47Å; E728-K732 PolarHBondContact O-N 3.4Å |
| 729 | A | 94.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 104 Ų | 104 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K725 Q726 T731 K732 I733 | K725-A729 WeakPolarHBondContact O-CB 3.31Å; K725-A729 PolarHBondContact O-N 3.36Å; Q726-A729 PolarHBondContact O-N 2.93Å; A729-T731 PolarHBondContact O-N 3.19Å; A729-K732 PolarHBondContact O-N 3.06Å; A729-I733 WeakPolarHBondContact O-CG1 3.44Å; A729-I733 PolarHBondContact O-N 3.42Å |
| 730 | A | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 101.5 Ų | 101.5 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q726 K727 K732 I733 E734 | Q726-A730 WeakPolarHBondContact O-CB 3.49Å; Q726-A730 PolarHBondContact O-N 3.09Å; K727-A730 PolarHBondContact O-N 2.89Å; A730-K732 VanDerWaalsContact C-N 3.34Å; A730-K732 PolarHBondContact O-N 2.97Å; A730-I733 PolarHBondContact O-N 3.39Å; A730-E734 WeakPolarHBondContact O-CG 3.44Å; A730-E734 PolarHBondContact O-N 3.1Å |
| 731 | T | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 177.9 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | K727 E728 A729 E734 T735 | K727-T731 WeakPolarHBondContact O-CB 3.3Å; K727-T731 PolarHBondContact O-N 3.32Å; K727-T731 PolarHBondContact O-OG1 3.49Å; E728-T731 PolarHBondContact O-N 3.09Å; A729-T731 PolarHBondContact O-N 3.19Å; T731-E734 PolarHBondContact O-N 3.07Å; T731-T735 WeakPolarHBondContact O-CG2 3.43Å; T731-T735 PolarHBondContact O-N 2.91Å; T731-T735 PolarHBondContact O-OG1 3.03Å |
| 732 | K | 94.5 | Very high | 93.4 | Very high | 141 Ų | 141 | 100.4 Ų | 100.4 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.4 | -75.7 | 177 | -178.3 | 177.5 | 0 | 112.1 | E728 A729 A730 T735 C736 | E728-K732 WeakPolarHBondContact O-CG 3.47Å; E728-K732 PolarHBondContact O-N 3.4Å; A729-K732 PolarHBondContact O-N 3.06Å; A730-K732 VanDerWaalsContact C-N 3.34Å; A730-K732 PolarHBondContact O-N 2.97Å; K732-T735 PolarHBondContact O-N 2.76Å; K732-T735 PolarHBondContact O-OG1 3.04Å; K732-C736 WeakPolarHBondContact O-CB 2.71Å; K732-C736 PolarHBondContact O-N 2.74Å; K732-C736 PolarHBondContact O-SG 2.8Å |
| 733 | I | 94 | Very high | 93.1 | Very high | 121 Ų | 121 | 103 Ų | 103 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 177.4 | -67.5 | 165.6 | 0 | 0 | 0 | 110.3 | A729 A730 T735 C736 W737 | A729-I733 WeakPolarHBondContact O-CG1 3.44Å; A729-I733 PolarHBondContact O-N 3.42Å; A730-I733 PolarHBondContact O-N 3.39Å; I733-T735 PolarHBondContact O-N 3Å; I733-C736 PolarHBondContact O-N 3.49Å; I733-W737 VanDerWaalsContact O-CB 3.32Å; I733-W737 WeakPolarHBondContact O-CB 3.47Å; I733-W737 PolarHBondContact O-N 3.43Å |
| 734 | E | 93.2 | Very high | 92.8 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.3 | -76.7 | -178.7 | -168.3 | 0 | 0 | 112.4 | A730 T731 W737 R738 | A730-E734 WeakPolarHBondContact O-CG 3.44Å; A730-E734 PolarHBondContact O-N 3.1Å; T731-E734 PolarHBondContact O-N 3.07Å; E734-W737 PolarHBondContact O-N 2.91Å; E734-R738 WeakPolarHBondContact O-CB 3.41Å; E734-R738 VanDerWaalsContact O-CG 3.32Å; E734-R738 WeakPolarHBondContact O-CG 3.42Å; E734-R738 PolarHBondContact O-N 2.86Å; E734-R738 IonicContact OE2-NH2 3.84Å |
| 735 | T | 93.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | T731 K732 I733 W737 R738 G739 | T731-T735 WeakPolarHBondContact O-CG2 3.43Å; T731-T735 PolarHBondContact O-N 2.91Å; T731-T735 PolarHBondContact O-OG1 3.03Å; K732-T735 PolarHBondContact O-N 2.76Å; K732-T735 PolarHBondContact O-OG1 3.04Å; I733-T735 PolarHBondContact O-N 3Å; T735-W737 VanDerWaalsContact C-N 3.35Å; T735-W737 PolarHBondContact O-N 2.73Å; T735-R738 PolarHBondContact O-N 3.31Å; T735-G739 PolarHBondContact O-N 3.47Å |
| 736 | C | 92.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 57% | 0.568 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 173 | -74 | 0 | 0 | 0 | 0 | 112 | K732 I733 G739 A740 | K732-C736 WeakPolarHBondContact O-CB 2.71Å; K732-C736 PolarHBondContact O-N 2.74Å; K732-C736 PolarHBondContact O-SG 2.8Å; I733-C736 PolarHBondContact O-N 3.49Å; C736-G739 PolarHBondContact O-N 2.69Å; C736-A740 WeakPolarHBondContact O-CB 3.45Å; C736-A740 PolarHBondContact O-N 2.98Å |
| 737 | W | 91.3 | Very high | 91.7 | Very high | 174 Ų | 174 | 101.7 Ų | 101.7 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -49 | 177.9 | 177.5 | -101.9 | 0 | 0 | 0 | 111.8 | I733 E734 T735 G739 A740 Q741 | I733-W737 VanDerWaalsContact O-CB 3.32Å; I733-W737 WeakPolarHBondContact O-CB 3.47Å; I733-W737 PolarHBondContact O-N 3.43Å; E734-W737 PolarHBondContact O-N 2.91Å; T735-W737 VanDerWaalsContact C-N 3.35Å; T735-W737 PolarHBondContact O-N 2.73Å; W737-G739 VanDerWaalsContact C-N 3.27Å; W737-G739 PolarHBondContact O-N 3.27Å; W737-A740 PolarHBondContact O-N 3.43Å; W737-A740 VanDerWaalsContact O-N 3.1Å; W737-Q741 WeakPolarHBondContact O-CB 3.4Å; W737-Q741 PolarHBondContact O-N 2.92Å |
| 738 | R | 92.6 | Very high | 91.1 | Very high | 159 Ų | 159 | 99.8 Ų | 99.8 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | 174.7 | -72.5 | 177.1 | -174.1 | 158.6 | 9.7 | 111.5 | E734 T735 Q741 A742 | E734-R738 WeakPolarHBondContact O-CB 3.41Å; E734-R738 VanDerWaalsContact O-CG 3.32Å; E734-R738 WeakPolarHBondContact O-CG 3.42Å; E734-R738 PolarHBondContact O-N 2.86Å; E734-R738 IonicContact OE2-NH2 3.84Å; T735-R738 PolarHBondContact O-N 3.31Å; R738-Q741 PolarHBondContact O-N 2.8Å; R738-A742 PolarHBondContact O-N 2.74Å |
| 739 | G | 92.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 99.4 Ų | 99.4 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T735 C736 W737 R743 | T735-G739 PolarHBondContact O-N 3.47Å; C736-G739 PolarHBondContact O-N 2.69Å; W737-G739 VanDerWaalsContact C-N 3.27Å; W737-G739 PolarHBondContact O-N 3.27Å; G739-R743 WeakPolarHBondContact O-CG 3.46Å; G739-R743 PolarHBondContact O-N 3.36Å; G739-R743 VanDerWaalsContact O-N 3.08Å |
| 740 | A | 92.2 | Very high | 89.8 | Confident | 40 Ų | 40 | 101.3 Ų | 101.3 | 33% | 0.331 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C736 W737 R743 K744 | C736-A740 WeakPolarHBondContact O-CB 3.45Å; C736-A740 PolarHBondContact O-N 2.98Å; W737-A740 PolarHBondContact O-N 3.43Å; W737-A740 VanDerWaalsContact O-N 3.1Å; A740-R743 PolarHBondContact O-N 3.49Å; A740-K744 WeakPolarHBondContact O-CB 3.36Å; A740-K744 PolarHBondContact O-N 3.36Å |
| 741 | Q | 91.9 | Very high | 88.9 | Confident | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.1 | -175.9 | 178.4 | -14.1 | 0 | 0 | 111.2 | W737 R738 R743 K744 E745 | W737-Q741 WeakPolarHBondContact O-CB 3.4Å; W737-Q741 PolarHBondContact O-N 2.92Å; R738-Q741 PolarHBondContact O-N 2.8Å; Q741-R743 VanDerWaalsContact C-N 3.33Å; Q741-R743 PolarHBondContact O-N 2.73Å; Q741-K744 PolarHBondContact O-N 2.81Å; Q741-E745 PolarHBondContact NE2-OE1 3.01Å; Q741-E745 WeakPolarHBondContact O-CG 3.43Å; Q741-E745 PolarHBondContact O-N 2.96Å |
| 742 | A | 90.6 | Very high | 88 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R738 E745 K746 | R738-A742 PolarHBondContact O-N 2.74Å; A742-E745 PolarHBondContact O-N 3.06Å; A742-K746 PolarHBondContact O-N 3.28Å |
| 743 | R | 89.1 | Confident | 87.1 | Confident | 151 Ų | 151 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 174 | -76.3 | -173.4 | -67.6 | -90 | 1.6 | 112 | G739 A740 Q741 E745 K746 E747 | G739-R743 WeakPolarHBondContact O-CG 3.46Å; G739-R743 PolarHBondContact O-N 3.36Å; G739-R743 VanDerWaalsContact O-N 3.08Å; A740-R743 PolarHBondContact O-N 3.49Å; Q741-R743 VanDerWaalsContact C-N 3.33Å; Q741-R743 PolarHBondContact O-N 2.73Å; R743-E745 VanDerWaalsContact C-N 3.35Å; R743-E745 PolarHBondContact O-N 2.89Å; R743-K746 WeakPolarHBondContact O-CB 3.41Å; R743-K746 PolarHBondContact O-N 3.34Å; R743-E747 WeakPolarHBondContact O-CG 3.4Å; R743-E747 PolarHBondContact O-N 2.86Å |
| 744 | K | 88 | Confident | 86.3 | Confident | 136 Ų | 136 | 102.7 Ų | 102.7 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 176.8 | -171.1 | 176.2 | -177.9 | 177.4 | 0 | 112 | A740 Q741 E747 N748 | A740-K744 WeakPolarHBondContact O-CB 3.36Å; A740-K744 PolarHBondContact O-N 3.36Å; Q741-K744 PolarHBondContact O-N 2.81Å; K744-E747 PolarHBondContact O-N 2.82Å; K744-N748 WeakPolarHBondContact O-CB 3.34Å; K744-N748 VanDerWaalsContact O-CG 3.32Å; K744-N748 PolarHBondContact O-N 2.78Å |
| 745 | E | 86.4 | Confident | 85.1 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.2 | -75.4 | 172.5 | -167.1 | 0 | 0 | 111.6 | Q741 A742 R743 N748 L749 | Q741-E745 PolarHBondContact NE2-OE1 3.01Å; Q741-E745 WeakPolarHBondContact O-CG 3.43Å; Q741-E745 PolarHBondContact O-N 2.96Å; A742-E745 PolarHBondContact O-N 3.06Å; R743-E745 VanDerWaalsContact C-N 3.35Å; R743-E745 PolarHBondContact O-N 2.89Å; E745-N748 PolarHBondContact O-N 3.47Å; E745-L749 WeakPolarHBondContact O-CB 3.37Å; E745-L749 WeakPolarHBondContact O-CG 3.44Å; E745-L749 PolarHBondContact O-N 2.86Å |
| 746 | K | 86.8 | Confident | 84.1 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 173.5 | -177.9 | -177.9 | 177.9 | -179.6 | 0 | 112.3 | A742 R743 L749 N750 | A742-K746 PolarHBondContact O-N 3.28Å; R743-K746 WeakPolarHBondContact O-CB 3.41Å; R743-K746 PolarHBondContact O-N 3.34Å; K746-L749 PolarHBondContact O-N 3.18Å; K746-N750 WeakPolarHBondContact O-CB 3.38Å; K746-N750 PolarHBondContact O-N 3.5Å |
| 747 | E | 83.9 | Confident | 83.3 | Confident | 128 Ų | 128 | 102.7 Ų | 102.7 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 175.9 | -76.4 | 171.3 | -173.7 | 0 | 0 | 111.6 | R743 K744 N750 C751 | R743-E747 WeakPolarHBondContact O-CG 3.4Å; R743-E747 PolarHBondContact O-N 2.86Å; K744-E747 PolarHBondContact O-N 2.82Å; E747-N750 PolarHBondContact O-N 2.55Å; E747-C751 VanDerWaalsContact O-CB 3.31Å; E747-C751 WeakPolarHBondContact O-CB 3.35Å; E747-C751 PolarHBondContact O-N 2.77Å |
| 748 | N | 82.4 | Confident | 82.3 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.3 | -77.3 | -16.5 | 0 | 0 | 0 | 111.4 | K744 E745 N750 C751 I752 | K744-N748 WeakPolarHBondContact O-CB 3.34Å; K744-N748 VanDerWaalsContact O-CG 3.32Å; K744-N748 PolarHBondContact O-N 2.78Å; E745-N748 PolarHBondContact O-N 3.47Å; N748-N750 PolarHBondContact O-N 2.87Å; N748-C751 PolarHBondContact O-N 2.82Å; N748-I752 WeakPolarHBondContact O-CD1 3.48Å; N748-I752 VanDerWaalsContact O-CG1 3.23Å; N748-I752 WeakPolarHBondContact O-CG1 3.38Å; N748-I752 PolarHBondContact O-N 3.44Å |
| 749 | L | 80.3 | Confident | 81.2 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 175.9 | -74.2 | 170.7 | 0 | 0 | 0 | 111.4 | E745 K746 C751 I752 L753 | E745-L749 WeakPolarHBondContact O-CB 3.37Å; E745-L749 WeakPolarHBondContact O-CG 3.44Å; E745-L749 PolarHBondContact O-N 2.86Å; K746-L749 PolarHBondContact O-N 3.18Å; L749-C751 PolarHBondContact O-N 3.46Å; L749-I752 PolarHBondContact O-N 3.4Å; L749-L753 WeakPolarHBondContact O-CB 3.22Å; L749-L753 PolarHBondContact O-N 3.33Å |
| 750 | N | 80.3 | Confident | 80.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.9 | -80.3 | -11.6 | 0 | 0 | 0 | 112.4 | K746 E747 N748 L753 F754 | K746-N750 WeakPolarHBondContact O-CB 3.38Å; K746-N750 PolarHBondContact O-N 3.5Å; E747-N750 PolarHBondContact O-N 2.55Å; N748-N750 PolarHBondContact O-N 2.87Å; N750-L753 PolarHBondContact O-N 3.31Å; N750-F754 VanDerWaalsContact O-CB 3.31Å; N750-F754 WeakPolarHBondContact O-CB 3.39Å; N750-F754 PolarHBondContact O-N 2.99Å |
| 751 | C | 76.1 | Confident | 79.3 | Confident | 79 Ų | 79 | 103.4 Ų | 103.4 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 176.1 | -173 | 0 | 0 | 0 | 0 | 111.2 | E747 N748 L749 F754 T755 | E747-C751 VanDerWaalsContact O-CB 3.31Å; E747-C751 WeakPolarHBondContact O-CB 3.35Å; E747-C751 PolarHBondContact O-N 2.77Å; N748-C751 PolarHBondContact O-N 2.82Å; L749-C751 PolarHBondContact O-N 3.46Å; C751-F754 PolarHBondContact O-N 3.43Å; C751-T755 WeakPolarHBondContact O-CB 3.47Å; C751-T755 PolarHBondContact O-N 3.19Å; C751-T755 PolarHBondContact O-OG1 3.34Å |
| 752 | I | 75.4 | Confident | 78 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 172.6 | -67.4 | 163.1 | 0 | 0 | 0 | 109.7 | N748 L749 F754 T755 C756 | N748-I752 WeakPolarHBondContact O-CD1 3.48Å; N748-I752 VanDerWaalsContact O-CG1 3.23Å; N748-I752 WeakPolarHBondContact O-CG1 3.38Å; N748-I752 PolarHBondContact O-N 3.44Å; L749-I752 PolarHBondContact O-N 3.4Å; I752-F754 PolarHBondContact O-N 3.26Å; I752-T755 PolarHBondContact O-N 2.99Å; I752-C756 WeakPolarHBondContact O-CB 3.39Å; I752-C756 PolarHBondContact O-N 2.96Å; I752-C756 PolarHBondContact O-SG 3.43Å |
| 753 | L | 76.1 | Confident | 76.9 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.9 | -123.8 | 151.3 | 0 | 0 | 0 | 112 | L749 N750 C756 F757 | L749-L753 WeakPolarHBondContact O-CB 3.22Å; L749-L753 PolarHBondContact O-N 3.33Å; N750-L753 PolarHBondContact O-N 3.31Å; L753-C756 PolarHBondContact O-N 3.35Å; L753-F757 HydrophobicContact CD2-CD2 3.54Å; L753-F757 HydrophobicContact CD2-CE2 3.13Å; L753-F757 HydrophobicContact CD2-CZ 4.07Å; L753-F757 WeakPolarHBondContact O-CD2 3.44Å; L753-F757 PolarHBondContact O-N 2.81Å |
| 754 | F | 76.2 | Confident | 76.1 | Confident | 138 Ų | 138 | 100 Ų | 100 | 61% | 0.605 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 176.3 | -173.3 | -97.3 | 0 | 0 | 0 | 111.7 | N750 C751 I752 F757 R758 | N750-F754 VanDerWaalsContact O-CB 3.31Å; N750-F754 WeakPolarHBondContact O-CB 3.39Å; N750-F754 PolarHBondContact O-N 2.99Å; C751-F754 PolarHBondContact O-N 3.43Å; I752-F754 PolarHBondContact O-N 3.26Å; F754-F757 PolarHBondContact O-N 2.8Å; F754-R758 VanDerWaalsContact O-CB 3.3Å; F754-R758 WeakPolarHBondContact O-CB 3.41Å; F754-R758 PolarHBondContact O-N 3.06Å |
| 755 | T | 69.2 | Low | 75.1 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | C751 I752 R758 F759 | C751-T755 WeakPolarHBondContact O-CB 3.47Å; C751-T755 PolarHBondContact O-N 3.19Å; C751-T755 PolarHBondContact O-OG1 3.34Å; I752-T755 PolarHBondContact O-N 2.99Å; T755-R758 PolarHBondContact O-N 3.35Å; T755-F759 WeakPolarHBondContact O-CB 3.4Å; T755-F759 PolarHBondContact O-N 3.45Å |
| 756 | C | 73 | Confident | 73.9 | Confident | 65 Ų | 65 | 96.5 Ų | 96.5 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | I752 L753 R758 F759 I760 | I752-C756 WeakPolarHBondContact O-CB 3.39Å; I752-C756 PolarHBondContact O-N 2.96Å; I752-C756 PolarHBondContact O-SG 3.43Å; L753-C756 PolarHBondContact O-N 3.35Å; C756-R758 PolarHBondContact O-N 3.12Å; C756-F759 PolarHBondContact O-N 2.73Å; C756-I760 VanDerWaalsContact O-CG1 3.26Å; C756-I760 WeakPolarHBondContact O-CG1 3.46Å; C756-I760 PolarHBondContact O-N 2.95Å |
| 757 | F | 75.4 | Confident | 72.7 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 176.5 | -86.2 | -56.3 | 0 | 0 | 0 | 112.1 | L753 F754 F759 I760 K761 | L753-F757 HydrophobicContact CD2-CD2 3.54Å; L753-F757 HydrophobicContact CD2-CE2 3.13Å; L753-F757 HydrophobicContact CD2-CZ 4.07Å; L753-F757 WeakPolarHBondContact O-CD2 3.44Å; L753-F757 PolarHBondContact O-N 2.81Å; F754-F757 PolarHBondContact O-N 2.8Å; F757-F759 VanDerWaalsContact C-N 3.33Å; F757-F759 PolarHBondContact O-N 2.8Å; F757-I760 PolarHBondContact O-N 2.87Å; F757-K761 WeakPolarHBondContact O-CB 3.27Å; F757-K761 PolarHBondContact O-N 3.25Å |
| 758 | R | 70.4 | Confident | 71.8 | Confident | 106 Ų | 106 | 93.4 Ų | 93.4 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.2 | -166.5 | 171.9 | 78.4 | -170.5 | 5.7 | 111.3 | F754 T755 C756 K761 A762 E776 | F754-R758 VanDerWaalsContact O-CB 3.3Å; F754-R758 WeakPolarHBondContact O-CB 3.41Å; F754-R758 PolarHBondContact O-N 3.06Å; T755-R758 PolarHBondContact O-N 3.35Å; C756-R758 PolarHBondContact O-N 3.12Å; R758-K761 PolarHBondContact O-N 3.09Å; R758-A762 VanDerWaalsContact O-CB 3.28Å; R758-A762 WeakPolarHBondContact O-CB 3.46Å; R758-A762 PolarHBondContact O-N 3.03Å; R758-E776 IonicContact CZ-OE2 3.29Å; R758-E776 VanDerWaalsContact CZ-OE2 3.29Å; R758-E776 IonicContact NE-OE2 3.46Å; R758-E776 PolarHBondContact NE-OE2 3.46Å; R758-E776 IonicContact NH2-OE1 3.44Å; R758-E776 PolarHBondContact NH2-OE1 2.96Å; R758-E776 IonicContact NH2-OE2 2.66Å; R758-E776 PolarHBondContact NH2-OE2 3.28Å |
| 759 | F | 67.9 | Low | 70.8 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.6 | -167.3 | -90.5 | 0 | 0 | 0 | 112.6 | T755 C756 F757 A762 Y763 Y777 F780 | T755-F759 WeakPolarHBondContact O-CB 3.4Å; T755-F759 PolarHBondContact O-N 3.45Å; C756-F759 PolarHBondContact O-N 2.73Å; F757-F759 VanDerWaalsContact C-N 3.33Å; F757-F759 PolarHBondContact O-N 2.8Å; F759-A762 PolarHBondContact O-N 3.02Å; F759-Y763 WeakPolarHBondContact O-CB 3.4Å; F759-Y763 PolarHBondContact O-N 2.67Å; F759-Y777 HydrophobicContact CD2-CD2 4.08Å; F759-Y777 HydrophobicContact CE1-CD2 4.3Å; F759-Y777 AromaticContact CE1-CE2 3.98Å; F759-Y777 HydrophobicContact CE1-CE2 3.98Å; F759-Y777 AromaticContact CE2-CD2 3.57Å; F759-Y777 HydrophobicContact CE2-CD2 3.57Å; F759-Y777 AromaticContact CE2-CE2 3.9Å; F759-Y777 HydrophobicContact CE2-CE2 3.9Å; F759-Y777 AromaticContact CZ-CD2 3.71Å; F759-Y777 HydrophobicContact CZ-CD2 3.71Å; F759-Y777 AromaticContact CZ-CE2 3.51Å; F759-Y777 HydrophobicContact CZ-CE2 3.51Å; F759-F780 HydrophobicContact CE2-CD1 4.46Å |
| 760 | I | 74 | Confident | 70.2 | Confident | 93 Ų | 93 | 96.5 Ų | 96.5 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 175.7 | -69 | 165.4 | 0 | 0 | 0 | 110.3 | C756 F757 A762 Y763 I764 | C756-I760 VanDerWaalsContact O-CG1 3.26Å; C756-I760 WeakPolarHBondContact O-CG1 3.46Å; C756-I760 PolarHBondContact O-N 2.95Å; F757-I760 PolarHBondContact O-N 2.87Å; I760-A762 PolarHBondContact O-N 3.14Å; I760-Y763 WeakPolarHBondContact O-CB 3.16Å; I760-Y763 PolarHBondContact O-N 3.14Å; I760-I764 HydrophobicContact CG2-CD1 4.05Å; I760-I764 WeakPolarHBondContact O-CG1 3.49Å; I760-I764 PolarHBondContact O-N 2.75Å |
| 761 | K | 72.4 | Confident | 69.4 | Low | 113 Ų | 113 | 94.2 Ų | 94.2 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 178.1 | -161.4 | -176.9 | -175.5 | -149.1 | 0 | 111.5 | F757 R758 I764 N765 D773 | F757-K761 WeakPolarHBondContact O-CB 3.27Å; F757-K761 PolarHBondContact O-N 3.25Å; R758-K761 PolarHBondContact O-N 3.09Å; K761-I764 PolarHBondContact O-N 2.85Å; K761-N765 PolarHBondContact O-N 3.15Å; K761-D773 IonicContact NZ-OD2 2.79Å; K761-D773 PolarHBondContact NZ-OD2 2.82Å |
| 762 | A | 64.3 | Low | 68.8 | Low | 4 Ų | 4 | 96.8 Ų | 96.8 | 3% | 0.033 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R758 F759 I760 N765 R766 D773 N774 Y777 | R758-A762 VanDerWaalsContact O-CB 3.28Å; R758-A762 WeakPolarHBondContact O-CB 3.46Å; R758-A762 PolarHBondContact O-N 3.03Å; F759-A762 PolarHBondContact O-N 3.02Å; I760-A762 PolarHBondContact O-N 3.14Å; A762-N765 PolarHBondContact O-N 3.05Å; A762-R766 PolarHBondContact O-N 2.8Å; A762-D773 WeakPolarHBondContact CB-O 3.44Å; A762-N774 PolarHBondContact O-OD1 3.34Å; A762-Y777 HydrophobicContact CB-CG 4.22Å |
| 763 | Y | 66.8 | Low | 68.2 | Low | 109 Ų | 109 | 95.2 Ų | 95.2 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.3 | 179.3 | -97.5 | 0 | 0 | 0 | 113.1 | F759 I760 R766 Y777 | F759-Y763 WeakPolarHBondContact O-CB 3.4Å; F759-Y763 PolarHBondContact O-N 2.67Å; I760-Y763 WeakPolarHBondContact O-CB 3.16Å; I760-Y763 PolarHBondContact O-N 3.14Å; Y763-R766 WeakPolarHBondContact O-CB 3.32Å; Y763-R766 VanDerWaalsContact O-CD 3.3Å; Y763-R766 WeakPolarHBondContact O-CD 3.43Å; Y763-R766 WeakPolarHBondContact O-CG 3.48Å; Y763-R766 PolarHBondContact O-NH1 3.09Å; Y763-Y777 HydrophobicContact CD2-CE1 4.49Å; Y763-Y777 HydrophobicContact CD2-CE2 4.24Å; Y763-Y777 AromaticContact CD2-CZ 3.79Å; Y763-Y777 WeakPolarHBondContact CD2-OH 3.38Å |
| 764 | I | 72.5 | Confident | 67.7 | Low | 113 Ų | 113 | 91 Ų | 91 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 175 | -67.8 | 165.9 | 0 | 0 | 0 | 109.7 | I760 K761 R766 | I760-I764 HydrophobicContact CG2-CD1 4.05Å; I760-I764 WeakPolarHBondContact O-CG1 3.49Å; I760-I764 PolarHBondContact O-N 2.75Å; K761-I764 PolarHBondContact O-N 2.85Å; I764-R766 PolarHBondContact O-N 3.44Å |
| 765 | N | 67.2 | Low | 67.4 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 20% | 0.203 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 16.1 | -176 | -61.7 | -3 | 0 | 0 | 0 | 114.1 | K761 A762 G767 E768 N774 | K761-N765 PolarHBondContact O-N 3.15Å; A762-N765 PolarHBondContact O-N 3.05Å; N765-G767 PolarHBondContact O-N 2.8Å; N765-G767 VanDerWaalsContact O-N 3.09Å; N765-E768 PolarHBondContact O-N 3.41Å; N765-N774 PolarHBondContact O-ND2 3.4Å |
| 766 | R | 62.5 | Low | 67.4 | Low | 126 Ų | 126 | 88.8 Ų | 88.8 | 48% | 0.475 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.7 | -172.2 | 67.1 | -176.8 | 178.2 | -89.4 | 0.3 | 115.7 | A762 Y763 I764 Y777 | A762-R766 PolarHBondContact O-N 2.8Å; Y763-R766 WeakPolarHBondContact O-CB 3.32Å; Y763-R766 VanDerWaalsContact O-CD 3.3Å; Y763-R766 WeakPolarHBondContact O-CD 3.43Å; Y763-R766 WeakPolarHBondContact O-CG 3.48Å; Y763-R766 PolarHBondContact O-NH1 3.09Å; I764-R766 PolarHBondContact O-N 3.44Å; R766-Y777 HydrophobicContact CB-CE1 4.25Å |
| 767 | G | 60.2 | Low | 67.3 | Low | 80 Ų | 80 | 87.5 Ų | 87.5 | 83% | 0.825 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N765 | N765-G767 PolarHBondContact O-N 2.8Å; N765-G767 VanDerWaalsContact O-N 3.09Å |
| 768 | E | 65.3 | Low | 67 | Low | 120 Ų | 120 | 82.5 Ų | 82.5 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -89.6 | 162.9 | -177.6 | -61.3 | 178.9 | 168.1 | 0 | 0 | 111.8 | N765 | N765-E768 PolarHBondContact O-N 3.41Š|
| 769 | A | 62.4 | Low | 67.2 | Low | 92 Ų | 92 | 80 Ų | 80 | 76% | 0.76 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -59.4 | 155.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | S771 | A769-S771 PolarHBondContact O-N 2.96Š|
| 770 | K | 65.8 | Low | 67.7 | Low | 176 Ų | 176 | 80.6 Ų | 80.6 | 77% | 0.765 | 43% | 0.434 | S | S | * | . | trans | -55.4 | 106.7 | -174 | -174.9 | -173.5 | 176.9 | -171.1 | 0 | 111.6 | ||||
| 771 | S | 64.3 | Low | 67.8 | Low | 41 Ų | 41 | 77.7 Ų | 77.7 | 29% | 0.287 | 42% | 0.421 | S | S | . | . | trans | -105.6 | 169 | 171.2 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | A769 D773 N774 S775 | A769-S771 PolarHBondContact O-N 2.96Å; S771-D773 PolarHBondContact O-N 3.15Å; S771-N774 PolarHBondContact O-N 3.49Å; S771-S775 PolarHBondContact O-N 3.46Å | ||
| 772 | T | 64.3 | Low | 68.1 | Low | 133 Ų | 133 | 78.4 Ų | 78.4 | 82% | 0.816 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -40.7 | 173.7 | 13.9 | 0 | 0 | 0 | 0 | 111.7 | S775 | T772-S775 PolarHBondContact O-OG 2.92Å; T772-S775 VanDerWaalsContact O-OG 3.14Å |
| 773 | D | 61.6 | Low | 68.9 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27 | -176.4 | -74.4 | -2.3 | 0 | 0 | 0 | 114 | K761 A762 S771 | K761-D773 IonicContact NZ-OD2 2.79Å; K761-D773 PolarHBondContact NZ-OD2 2.82Å; A762-D773 WeakPolarHBondContact CB-O 3.44Å; S771-D773 PolarHBondContact O-N 3.15Å |
| 774 | N | 66.1 | Low | 69.5 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -7.2 | -175.2 | -168.6 | 14.3 | 0 | 0 | 0 | 113.9 | A762 N765 S771 E776 Y777 L778 | A762-N774 PolarHBondContact O-OD1 3.34Å; N765-N774 PolarHBondContact O-ND2 3.4Å; S771-N774 PolarHBondContact O-N 3.49Å; N774-E776 PolarHBondContact O-N 3.48Å; N774-Y777 PolarHBondContact O-N 3.17Å; N774-L778 WeakPolarHBondContact O-CG 3.32Å; N774-L778 PolarHBondContact O-N 3.19Å; N774-L778 VanDerWaalsContact O-N 3.14Å |
| 775 | S | 69.6 | Low | 70 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | -171.2 | 63.9 | 0 | 0 | 0 | 0 | 114.5 | S771 T772 A779 | S771-S775 PolarHBondContact O-N 3.46Å; T772-S775 PolarHBondContact O-OG 2.92Å; T772-S775 VanDerWaalsContact O-OG 3.14Å; S775-A779 PolarHBondContact O-N 2.66Å |
| 776 | E | 68.6 | Low | 70.6 | Confident | 115 Ų | 115 | 78.7 Ų | 78.7 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | -179.5 | -70.2 | -177.6 | 170.4 | 0 | 0 | 112.4 | R758 N774 L778 A779 F780 | R758-E776 IonicContact CZ-OE2 3.29Å; R758-E776 VanDerWaalsContact CZ-OE2 3.29Å; R758-E776 IonicContact NE-OE2 3.46Å; R758-E776 PolarHBondContact NE-OE2 3.46Å; R758-E776 IonicContact NH2-OE1 3.44Å; R758-E776 PolarHBondContact NH2-OE1 2.96Å; R758-E776 IonicContact NH2-OE2 2.66Å; R758-E776 PolarHBondContact NH2-OE2 3.28Å; N774-E776 PolarHBondContact O-N 3.48Å; E776-L778 PolarHBondContact O-N 2.99Å; E776-A779 PolarHBondContact O-N 3.03Å; E776-F780 PolarHBondContact O-N 2.74Å |
| 777 | Y | 71.1 | Confident | 71.5 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 15% | 0.153 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178 | 178.2 | -99.4 | 0 | 0 | 0 | 111.1 | F759 A762 Y763 R766 N774 A779 F780 V781 | F759-Y777 HydrophobicContact CD2-CD2 4.08Å; F759-Y777 HydrophobicContact CE1-CD2 4.3Å; F759-Y777 AromaticContact CE1-CE2 3.98Å; F759-Y777 HydrophobicContact CE1-CE2 3.98Å; F759-Y777 AromaticContact CE2-CD2 3.57Å; F759-Y777 HydrophobicContact CE2-CD2 3.57Å; F759-Y777 AromaticContact CE2-CE2 3.9Å; F759-Y777 HydrophobicContact CE2-CE2 3.9Å; F759-Y777 AromaticContact CZ-CD2 3.71Å; F759-Y777 HydrophobicContact CZ-CD2 3.71Å; F759-Y777 AromaticContact CZ-CE2 3.51Å; F759-Y777 HydrophobicContact CZ-CE2 3.51Å; A762-Y777 HydrophobicContact CB-CG 4.22Å; Y763-Y777 HydrophobicContact CD2-CE1 4.49Å; Y763-Y777 HydrophobicContact CD2-CE2 4.24Å; Y763-Y777 AromaticContact CD2-CZ 3.79Å; Y763-Y777 WeakPolarHBondContact CD2-OH 3.38Å; R766-Y777 HydrophobicContact CB-CE1 4.25Å; N774-Y777 PolarHBondContact O-N 3.17Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; Y777-A779 PolarHBondContact O-N 3.43Å; Y777-F780 PolarHBondContact O-N 2.84Å; Y777-V781 HydrophobicContact CD1-CG2 4.16Å; Y777-V781 HydrophobicContact CE1-CG2 3.67Å; Y777-V781 HydrophobicContact CE2-CG2 4.1Å; Y777-V781 VanDerWaalsContact O-CG2 3.32Å; Y777-V781 WeakPolarHBondContact O-CG2 3.32Å; Y777-V781 PolarHBondContact O-N 2.75Å |
| 778 | L | 70.8 | Confident | 72.4 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 175.4 | -69.1 | 173.2 | 0 | 0 | 0 | 112.5 | N774 E776 R782 V809 | N774-L778 WeakPolarHBondContact O-CG 3.32Å; N774-L778 PolarHBondContact O-N 3.19Å; N774-L778 VanDerWaalsContact O-N 3.14Å; E776-L778 PolarHBondContact O-N 2.99Å; L778-R782 VanDerWaalsContact O-CG 3.23Å; L778-R782 WeakPolarHBondContact O-CG 3.48Å; L778-R782 PolarHBondContact O-N 3.39Å; L778-R782 VanDerWaalsContact O-N 3.09Å; L778-V809 HydrophobicContact CD2-CG2 4.37Å |
| 779 | A | 74.8 | Confident | 73.2 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S775 E776 Y777 R782 Q783 | S775-A779 PolarHBondContact O-N 2.66Å; E776-A779 PolarHBondContact O-N 3.03Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; Y777-A779 PolarHBondContact O-N 3.43Å; A779-R782 PolarHBondContact O-N 2.7Å; A779-Q783 PolarHBondContact O-N 3.36Å |
| 780 | F | 77.4 | Confident | 73.9 | Confident | 112 Ų | 112 | 77.8 Ų | 77.8 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -47 | 175.3 | 173.8 | -99.1 | 0 | 0 | 0 | 112.2 | F759 E776 Y777 R782 Q783 S784 | F759-F780 HydrophobicContact CE2-CD1 4.46Å; E776-F780 PolarHBondContact O-N 2.74Å; Y777-F780 PolarHBondContact O-N 2.84Å; F780-R782 VanDerWaalsContact C-N 3.27Å; F780-R782 PolarHBondContact O-N 2.81Å; F780-Q783 PolarHBondContact O-N 3.46Å; F780-S784 WeakPolarHBondContact O-CB 3.49Å; F780-S784 PolarHBondContact O-N 2.85Å |
| 781 | V | 76.1 | Confident | 74.6 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | Y777 Y785 P807 | Y777-V781 HydrophobicContact CD1-CG2 4.16Å; Y777-V781 HydrophobicContact CE1-CG2 3.67Å; Y777-V781 HydrophobicContact CE2-CG2 4.1Å; Y777-V781 VanDerWaalsContact O-CG2 3.32Å; Y777-V781 WeakPolarHBondContact O-CG2 3.32Å; Y777-V781 PolarHBondContact O-N 2.75Å; V781-Y785 WeakPolarHBondContact O-CB 3.4Å; V781-Y785 PolarHBondContact O-N 3.02Å; V781-P807 HydrophobicContact CG1-CB 4.07Å; V781-P807 HydrophobicContact CG1-CG 3.96Å |
| 782 | R | 79.6 | Confident | 75.1 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 177.1 | -71.7 | 169 | 179.2 | 179.8 | -0.7 | 112.4 | L778 A779 F780 L786 L810 | L778-R782 VanDerWaalsContact O-CG 3.23Å; L778-R782 WeakPolarHBondContact O-CG 3.48Å; L778-R782 PolarHBondContact O-N 3.39Å; L778-R782 VanDerWaalsContact O-N 3.09Å; A779-R782 PolarHBondContact O-N 2.7Å; F780-R782 VanDerWaalsContact C-N 3.27Å; F780-R782 PolarHBondContact O-N 2.81Å; R782-L786 WeakPolarHBondContact O-CG 3.41Å; R782-L786 PolarHBondContact O-N 2.93Å; R782-L810 HydrophobicContact CB-CD1 4.28Å; R782-L810 HydrophobicContact CG-CD1 4.06Å; R782-L810 HydrophobicContact CG-CD2 4.27Å; R782-L810 HydrophobicContact CG-CG 4.33Å |
| 783 | Q | 80.5 | Confident | 75.9 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.7 | -43.2 | -178.9 | -169.6 | 179.2 | 17.8 | 0 | 0 | 111.8 | A779 F780 L786 N787 | A779-Q783 PolarHBondContact O-N 3.36Å; F780-Q783 PolarHBondContact O-N 3.46Å; Q783-L786 PolarHBondContact O-N 2.82Å; Q783-N787 WeakPolarHBondContact O-CB 3.35Å; Q783-N787 PolarHBondContact O-N 2.61Å |
| 784 | S | 80 | Confident | 76.7 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 178.7 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | F780 N787 R788 | F780-S784 WeakPolarHBondContact O-CB 3.49Å; F780-S784 PolarHBondContact O-N 2.85Å; S784-N787 PolarHBondContact O-N 3.41Å; S784-R788 WeakPolarHBondContact O-CB 3.18Å; S784-R788 VanDerWaalsContact O-CG 3.27Å; S784-R788 WeakPolarHBondContact O-CG 3.39Å; S784-R788 PolarHBondContact O-N 2.72Å |
| 785 | Y | 81.4 | Confident | 77 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.4 | 179.4 | -106.7 | 0 | 0 | 0 | 112.4 | V781 N787 R788 L789 L804 T805 P806 P807 L810 S814 | V781-Y785 WeakPolarHBondContact O-CB 3.4Å; V781-Y785 PolarHBondContact O-N 3.02Å; Y785-N787 PolarHBondContact O-N 2.98Å; Y785-R788 PolarHBondContact O-N 2.89Å; Y785-L789 HydrophobicContact CE1-CD2 4.3Å; Y785-L789 WeakPolarHBondContact O-CB 3.34Å; Y785-L789 PolarHBondContact O-N 3.31Å; Y785-L804 HydrophobicContact CE2-CB 4.19Å; Y785-L804 PolarHBondContact OH-O 3.48Å; Y785-T805 WeakPolarHBondContact CE2-O 3.26Å; Y785-P806 HydrophobicContact CE1-CB 4.12Å; Y785-P806 HydrophobicContact CE2-CB 4.23Å; Y785-P806 WeakPolarHBondContact OH-CB 3.38Å; Y785-P807 HydrophobicContact CD2-CG 4.18Å; Y785-P807 HydrophobicContact CG-CG 4.21Å; Y785-L810 HydrophobicContact CD1-CB 4.38Å; Y785-L810 HydrophobicContact CD1-CD1 3.72Å; Y785-L810 HydrophobicContact CG-CD1 4.17Å; Y785-S814 WeakPolarHBondContact OH-CB 3.48Å; Y785-S814 PolarHBondContact OH-OG 2.95Å |
| 786 | L | 80.1 | Confident | 77.1 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 45% | 0.45 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 179.6 | -68.8 | 173.5 | 0 | 0 | 0 | 112.3 | R782 Q783 L789 K790 L817 | R782-L786 WeakPolarHBondContact O-CG 3.41Å; R782-L786 PolarHBondContact O-N 2.93Å; Q783-L786 PolarHBondContact O-N 2.82Å; L786-L789 PolarHBondContact O-N 2.67Å; L786-K790 PolarHBondContact O-N 2.78Å; L786-L817 HydrophobicContact CD2-CD1 4.23Å |
| 787 | N | 82.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.2 | -80.5 | -22.5 | 0 | 0 | 0 | 112.1 | Q783 S784 Y785 K790 N791 | Q783-N787 WeakPolarHBondContact O-CB 3.35Å; Q783-N787 PolarHBondContact O-N 2.61Å; S784-N787 PolarHBondContact O-N 3.41Å; Y785-N787 PolarHBondContact O-N 2.98Å; N787-K790 PolarHBondContact O-N 3.12Å; N787-N791 PolarHBondContact O-N 2.73Å |
| 788 | R | 79.4 | Confident | 77.1 | Confident | 150 Ų | 150 | 84 Ų | 84 | 57% | 0.566 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 175.7 | -72.2 | 177.1 | 66.7 | -176.2 | 1.1 | 111.8 | S784 Y785 N791 N792 L804 | S784-R788 WeakPolarHBondContact O-CB 3.18Å; S784-R788 VanDerWaalsContact O-CG 3.27Å; S784-R788 WeakPolarHBondContact O-CG 3.39Å; S784-R788 PolarHBondContact O-N 2.72Å; Y785-R788 PolarHBondContact O-N 2.89Å; R788-N791 PolarHBondContact O-N 2.92Å; R788-N792 PolarHBondContact O-N 3.21Å; R788-N792 PolarHBondContact O-ND2 3.35Å; R788-L804 HydrophobicContact CB-CD1 3.84Å; R788-L804 WeakPolarHBondContact O-CD1 3.28Å |
| 789 | L | 80.9 | Confident | 77 | Confident | 8 Ų | 8 | 84.6 Ų | 84.6 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.8 | -175.1 | 66.4 | 0 | 0 | 0 | 111.3 | Y785 L786 N791 N792 L793 W803 L804 L817 | Y785-L789 HydrophobicContact CE1-CD2 4.3Å; Y785-L789 WeakPolarHBondContact O-CB 3.34Å; Y785-L789 PolarHBondContact O-N 3.31Å; L786-L789 PolarHBondContact O-N 2.67Å; L789-N791 PolarHBondContact O-N 3.11Å; L789-N792 CarbonylContact O-C 3.46Å; L789-N792 PolarHBondContact O-N 3.05Å; L789-N792 VanDerWaalsContact O-N 3.08Å; L789-L793 WeakPolarHBondContact O-CG 3.23Å; L789-W803 HydrophobicContact CD1-CD2 4.07Å; L789-W803 HydrophobicContact CD1-CE3 4.44Å; L789-W803 HydrophobicContact CD1-CH2 4.13Å; L789-W803 HydrophobicContact CD1-CZ2 3.73Å; L789-W803 HydrophobicContact CD1-CZ3 4.47Å; L789-W803 HydrophobicContact CD2-CH2 4.22Å; L789-W803 HydrophobicContact CD2-CZ2 3.8Å; L789-W803 HydrophobicContact CG-CH2 4.41Å; L789-W803 HydrophobicContact CG-CZ2 4.22Å; L789-L804 HydrophobicContact CD1-CB 4.39Å; L789-L817 HydrophobicContact CD2-CD1 4Å |
| 790 | K | 78.3 | Confident | 76.4 | Confident | 154 Ų | 154 | 90.1 Ų | 90.1 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -52.7 | -41.9 | 174.4 | 178.3 | -175.5 | 174.8 | -176.3 | 0 | 112.3 | L786 N787 | L786-K790 PolarHBondContact O-N 2.78Å; N787-K790 PolarHBondContact O-N 3.12Å |
| 791 | N | 78.7 | Confident | 75.9 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -78.8 | -18.1 | -177.4 | -65.5 | -17.8 | 0 | 0 | 0 | 113.4 | N787 R788 L789 | N787-N791 PolarHBondContact O-N 2.73Å; R788-N791 PolarHBondContact O-N 2.92Å; L789-N791 PolarHBondContact O-N 3.11Å |
| 792 | N | 76.6 | Confident | 75.8 | Confident | 71 Ų | 71 | 91.9 Ų | 91.9 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 46.5 | -174.9 | -65.9 | -78.6 | 0 | 0 | 0 | 111.7 | R788 L789 L804 | R788-N792 PolarHBondContact O-N 3.21Å; R788-N792 PolarHBondContact O-ND2 3.35Å; L789-N792 CarbonylContact O-C 3.46Å; L789-N792 PolarHBondContact O-N 3.05Å; L789-N792 VanDerWaalsContact O-N 3.08Å; N792-L804 HydrophobicContact CB-CD1 3.89Å; N792-L804 HydrophobicContact CB-CD2 4.27Å; N792-L804 HydrophobicContact CB-CG 3.87Å |
| 793 | L | 79.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 32% | 0.319 | 44% | 0.437 | S | S | . | . | trans | -83.9 | 140 | 173.6 | -68 | 172.1 | 0 | 0 | 0 | 110.8 | L789 K795 W803 | L789-L793 WeakPolarHBondContact O-CG 3.23Å; L793-K795 PolarHBondContact O-N 2.84Å; L793-W803 HydrophobicContact CD2-CE3 4.38Å; L793-W803 HydrophobicContact CD2-CH2 3.97Å; L793-W803 HydrophobicContact CD2-CZ3 3.54Å | ||
| 794 | P | 79.3 | Confident | 75.8 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 2% | 0.019 | 42% | 0.419 | C | S | . | . | trans | -54.3 | 135 | 174.5 | -24.7 | 31.3 | 0 | 0 | 0 | 112 | D799 T802 W803 H821 Y822 M825 | P794-D799 HydrophobicContact CB-CB 4.4Å; P794-T802 WeakPolarHBondContact CA-OG1 3.5Å; P794-W803 HydrophobicContact CG-CE3 4.29Å; P794-H821 PolarHBondContact O-NE2 3.47Å; P794-Y822 HydrophobicContact CB-CE1 4.42Å; P794-Y822 HydrophobicContact CG-CE1 4.44Å; P794-Y822 HydrophobicContact CG-CE2 4.23Å; P794-Y822 WeakPolarHBondContact CG-OH 3.35Å; P794-M825 HydrophobicContact CB-CE 3.88Å; P794-M825 VanDerWaalsContact O-CE 3.3Å; P794-M825 WeakPolarHBondContact O-CE 3.37Å | ||
| 795 | K | 72.7 | Confident | 75.7 | Confident | 189 Ų | 189 | 87.5 Ų | 87.5 | 82% | 0.822 | 44% | 0.443 | S | S | * | . | trans | -95.2 | -22.5 | -174.8 | -67.2 | -176.5 | -179.2 | 177.2 | 0 | 114 | L793 | L793-K795 PolarHBondContact O-N 2.84Š| ||
| 796 | T | 71 | Confident | 75.7 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -131.5 | 155.5 | 179.4 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | L798 D799 M825 | T796-L798 PolarHBondContact O-N 3.46Å; T796-D799 WeakPolarHBondContact O-CB 3.45Å; T796-D799 PolarHBondContact O-N 3.1Å; T796-D799 VanDerWaalsContact O-N 3.1Å; T796-D799 WeakPolarHBondContact OG1-CB 3.39Å; T796-M825 VanDerWaalsContact C-CE 3.46Å; T796-M825 WeakPolarHBondContact O-CE 3.27Å |
| 797 | V | 71.5 | Confident | 75.6 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.8 | -177.7 | 177.7 | 0 | 0 | 0 | 0 | 112.8 | M825 V826 | V797-M825 HydrophobicContact CG2-CB 4.16Å; V797-V826 HydrophobicContact CG1-CG2 3.65Å; V797-V826 HydrophobicContact CG2-CG2 4.36Å |
| 798 | L | 67.4 | Low | 75.2 | Confident | 161 Ų | 161 | 86.5 Ų | 86.5 | 84% | 0.843 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14 | 179.7 | -62.3 | 174.6 | 0 | 0 | 0 | 112.9 | T796 K800 | T796-L798 PolarHBondContact O-N 3.46Å; L798-K800 PolarHBondContact O-N 2.85Å |
| 799 | D | 68.6 | Low | 74.9 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 19% | 0.193 | 45% | 0.454 | C | S | . | . | trans | -79.5 | 101.6 | 179.9 | -175.9 | 2.2 | 0 | 0 | 0 | 109.7 | P794 T796 T801 T802 Y822 | P794-D799 HydrophobicContact CB-CB 4.4Å; T796-D799 WeakPolarHBondContact O-CB 3.45Å; T796-D799 PolarHBondContact O-N 3.1Å; T796-D799 VanDerWaalsContact O-N 3.1Å; T796-D799 WeakPolarHBondContact OG1-CB 3.39Å; D799-T801 PolarHBondContact OD1-N 3.34Å; D799-T801 PolarHBondContact OD1-OG1 2.95Å; D799-T802 PolarHBondContact OD1-OG1 3.29Å; D799-T802 PolarHBondContact OD2-OG1 3.13Å; D799-Y822 VanDerWaalsContact O-CE1 3.31Å; D799-Y822 WeakPolarHBondContact O-CE1 3.16Å; D799-Y822 PolarHBondContact O-OH 2.84Å | ||
| 800 | K | 63.1 | Low | 74.8 | Confident | 171 Ų | 171 | 84 Ų | 84 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -100.4 | -4.4 | 179.9 | -69.6 | -174.5 | -179.2 | 178.4 | 0 | 113.9 | L798 Y822 | L798-K800 PolarHBondContact O-N 2.85Å; K800-Y822 WeakPolarHBondContact CA-OH 3.24Å | ||
| 801 | T | 66.8 | Low | 74.8 | Confident | 128 Ų | 128 | 79.9 Ų | 79.9 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -108.8 | -14.8 | -162.9 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | D799 W803 | D799-T801 PolarHBondContact OD1-N 3.34Å; D799-T801 PolarHBondContact OD1-OG1 2.95Å; T801-W803 VanDerWaalsContact C-N 3.34Å; T801-W803 PolarHBondContact O-N 3.36Å |
| 802 | T | 74.3 | Confident | 74.9 | Confident | 53 Ų | 53 | 81.4 Ų | 81.4 | 33% | 0.325 | 45% | 0.448 | S | S | . | . | trans | -78 | -4.3 | -174.6 | 18.8 | 0 | 0 | 0 | 0 | 116 | P794 D799 L804 | P794-T802 WeakPolarHBondContact CA-OG1 3.5Å; D799-T802 PolarHBondContact OD1-OG1 3.29Å; D799-T802 PolarHBondContact OD2-OG1 3.13Å; T802-L804 PolarHBondContact O-N 3.15Å | ||
| 803 | W | 80.4 | Confident | 75.1 | Confident | 33 Ų | 33 | 80.1 Ų | 80.1 | 13% | 0.125 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 123 | -176.1 | -163.3 | -88.6 | 0 | 0 | 0 | 112.2 | L789 L793 P794 T801 S814 L817 R818 H821 | L789-W803 HydrophobicContact CD1-CD2 4.07Å; L789-W803 HydrophobicContact CD1-CE3 4.44Å; L789-W803 HydrophobicContact CD1-CH2 4.13Å; L789-W803 HydrophobicContact CD1-CZ2 3.73Å; L789-W803 HydrophobicContact CD1-CZ3 4.47Å; L789-W803 HydrophobicContact CD2-CH2 4.22Å; L789-W803 HydrophobicContact CD2-CZ2 3.8Å; L789-W803 HydrophobicContact CG-CH2 4.41Å; L789-W803 HydrophobicContact CG-CZ2 4.22Å; L793-W803 HydrophobicContact CD2-CE3 4.38Å; L793-W803 HydrophobicContact CD2-CH2 3.97Å; L793-W803 HydrophobicContact CD2-CZ3 3.54Å; P794-W803 HydrophobicContact CG-CE3 4.29Å; T801-W803 VanDerWaalsContact C-N 3.34Å; T801-W803 PolarHBondContact O-N 3.36Å; W803-S814 PolarHBondContact NE1-OG 2.96Å; W803-L817 HydrophobicContact CH2-CB 4.07Å; W803-L817 HydrophobicContact CZ2-CB 3.88Å; W803-R818 HydrophobicContact CD2-CB 3.83Å; W803-R818 HydrophobicContact CD2-CG 3.61Å; W803-R818 VanDerWaalsContact CE2-CB 3.46Å; W803-R818 HydrophobicContact CE3-CB 4.24Å; W803-R818 HydrophobicContact CE3-CG 3.92Å; W803-R818 HydrophobicContact CG-CB 4.41Å; W803-R818 HydrophobicContact CG-CG 3.93Å; W803-R818 HydrophobicContact CH2-CB 4.05Å; W803-R818 HydrophobicContact CZ2-CB 3.59Å; W803-R818 HydrophobicContact CZ2-CG 4.31Å; W803-R818 HydrophobicContact CZ3-CB 4.34Å; W803-R818 HydrophobicContact CZ3-CG 4.39Å; W803-H821 HydrophobicContact CZ3-CB 4.12Å |
| 804 | L | 80.1 | Confident | 75.3 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -69 | 137.7 | -175.2 | -67.5 | 178 | 0 | 0 | 0 | 113.6 | Y785 R788 L789 N792 T802 | Y785-L804 HydrophobicContact CE2-CB 4.19Å; Y785-L804 PolarHBondContact OH-O 3.48Å; R788-L804 HydrophobicContact CB-CD1 3.84Å; R788-L804 WeakPolarHBondContact O-CD1 3.28Å; L789-L804 HydrophobicContact CD1-CB 4.39Å; N792-L804 HydrophobicContact CB-CD1 3.89Å; N792-L804 HydrophobicContact CB-CD2 4.27Å; N792-L804 HydrophobicContact CB-CG 3.87Å; T802-L804 PolarHBondContact O-N 3.15Å |
| 805 | T | 77.6 | Confident | 75.5 | Confident | 130 Ų | 130 | 81.8 Ų | 81.8 | 80% | 0.798 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 123.8 | 173 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | Y785 | Y785-T805 WeakPolarHBondContact CE2-O 3.26Š|
| 806 | P | 81 | Confident | 76.1 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 22% | 0.221 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -76 | 148.5 | -179.7 | 29.1 | -33.5 | 0 | 0 | 0 | 113.4 | Y785 T811 | Y785-P806 HydrophobicContact CE1-CB 4.12Å; Y785-P806 HydrophobicContact CE2-CB 4.23Å; Y785-P806 WeakPolarHBondContact OH-CB 3.38Å; P806-T811 HydrophobicContact CG-CG2 4.02Å |
| 807 | P | 77.6 | Confident | 76.8 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 151.2 | 161.1 | -19 | 30.4 | 0 | 0 | 0 | 111 | V781 Y785 V809 L810 T811 | V781-P807 HydrophobicContact CG1-CB 4.07Å; V781-P807 HydrophobicContact CG1-CG 3.96Å; Y785-P807 HydrophobicContact CD2-CG 4.18Å; Y785-P807 HydrophobicContact CG-CG 4.21Å; P807-V809 PolarHBondContact O-N 2.97Å; P807-L810 PolarHBondContact O-N 3.44Å; P807-T811 PolarHBondContact O-N 2.85Å; P807-T811 PolarHBondContact O-OG1 3.22Å |
| 808 | A | 73.8 | Confident | 77.3 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 78% | 0.777 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -51.1 | -34.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L810 T811 | A808-L810 VanDerWaalsContact C-N 3.27Å; A808-L810 PolarHBondContact O-N 2.87Å; A808-T811 WeakPolarHBondContact CA-OG1 3.14Å; A808-T811 PolarHBondContact O-OG1 3.5Å |
| 809 | V | 73.1 | Confident | 78.1 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -72.9 | -16.1 | -179.9 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | L778 P807 | L778-V809 HydrophobicContact CD2-CG2 4.37Å; P807-V809 PolarHBondContact O-N 2.97Å |
| 810 | L | 78.6 | Confident | 78.8 | Confident | 24 Ų | 24 | 81.8 Ų | 81.8 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -122 | 12 | -173.9 | -73.7 | 178.8 | 0 | 0 | 0 | 114 | R782 Y785 P807 A808 E812 A813 S814 | R782-L810 HydrophobicContact CB-CD1 4.28Å; R782-L810 HydrophobicContact CG-CD1 4.06Å; R782-L810 HydrophobicContact CG-CD2 4.27Å; R782-L810 HydrophobicContact CG-CG 4.33Å; Y785-L810 HydrophobicContact CD1-CB 4.38Å; Y785-L810 HydrophobicContact CD1-CD1 3.72Å; Y785-L810 HydrophobicContact CG-CD1 4.17Å; P807-L810 PolarHBondContact O-N 3.44Å; A808-L810 VanDerWaalsContact C-N 3.27Å; A808-L810 PolarHBondContact O-N 2.87Å; L810-E812 PolarHBondContact O-N 3.11Å; L810-A813 HydrophobicContact CD2-CB 4.37Å; L810-A813 PolarHBondContact O-N 2.82Å; L810-S814 PolarHBondContact O-N 3.38Å; L810-S814 VanDerWaalsContact O-N 3.07Å |
| 811 | T | 78.4 | Confident | 79.8 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.9 | -50.3 | -176.5 | -36 | 0 | 0 | 0 | 0 | 111.5 | P806 P807 A808 S814 E815 | P806-T811 HydrophobicContact CG-CG2 4.02Å; P807-T811 PolarHBondContact O-N 2.85Å; P807-T811 PolarHBondContact O-OG1 3.22Å; A808-T811 WeakPolarHBondContact CA-OG1 3.14Å; A808-T811 PolarHBondContact O-OG1 3.5Å; T811-S814 PolarHBondContact O-N 2.87Å; T811-E815 PolarHBondContact O-N 2.9Å |
| 812 | E | 81.1 | Confident | 80.5 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | -179.4 | -170.6 | 179.5 | -175.9 | 0 | 0 | 112.6 | L810 S814 E815 I816 | L810-E812 PolarHBondContact O-N 3.11Å; E812-S814 VanDerWaalsContact C-N 3.35Å; E812-S814 PolarHBondContact O-N 3.16Å; E812-E815 PolarHBondContact O-N 3.5Å; E812-I816 PolarHBondContact O-N 3.14Å |
| 813 | A | 80.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 79 Ų | 79 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L810 I816 L817 | L810-A813 HydrophobicContact CD2-CB 4.37Å; L810-A813 PolarHBondContact O-N 2.82Å; A813-I816 PolarHBondContact O-N 2.95Å; A813-L817 WeakPolarHBondContact O-CG 3.41Å; A813-L817 PolarHBondContact O-N 2.88Å |
| 814 | S | 85 | Confident | 81 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | Y785 W803 L810 T811 E812 I816 L817 R818 | Y785-S814 WeakPolarHBondContact OH-CB 3.48Å; Y785-S814 PolarHBondContact OH-OG 2.95Å; W803-S814 PolarHBondContact NE1-OG 2.96Å; L810-S814 PolarHBondContact O-N 3.38Å; L810-S814 VanDerWaalsContact O-N 3.07Å; T811-S814 PolarHBondContact O-N 2.87Å; E812-S814 VanDerWaalsContact C-N 3.35Å; E812-S814 PolarHBondContact O-N 3.16Å; S814-I816 VanDerWaalsContact C-N 3.34Å; S814-I816 PolarHBondContact O-N 3.2Å; S814-L817 PolarHBondContact O-N 2.97Å; S814-R818 WeakPolarHBondContact O-CB 3.39Å; S814-R818 PolarHBondContact O-N 3.22Å |
| 815 | E | 82.9 | Confident | 81 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 179.2 | -70.7 | -160.6 | 151.3 | 0 | 0 | 112.9 | T811 E812 R818 K819 | T811-E815 PolarHBondContact O-N 2.9Å; E812-E815 PolarHBondContact O-N 3.5Å; E815-R818 PolarHBondContact O-N 3.48Å; E815-K819 PolarHBondContact O-N 3.25Å |
| 816 | I | 85.9 | Confident | 81.1 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 178.4 | -64 | 171.7 | 0 | 0 | 0 | 110.2 | E812 A813 S814 R818 K819 L820 | E812-I816 PolarHBondContact O-N 3.14Å; A813-I816 PolarHBondContact O-N 2.95Å; S814-I816 VanDerWaalsContact C-N 3.34Å; S814-I816 PolarHBondContact O-N 3.2Å; I816-R818 VanDerWaalsContact C-N 3.28Å; I816-R818 PolarHBondContact O-N 3.08Å; I816-K819 PolarHBondContact O-N 3.07Å; I816-L820 HydrophobicContact CG2-CD1 4.23Å; I816-L820 PolarHBondContact O-N 3.43Å |
| 817 | L | 84.9 | Confident | 81.1 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 178.8 | -72 | 172.7 | 0 | 0 | 0 | 112.2 | L786 L789 W803 A813 S814 K819 L820 H821 | L786-L817 HydrophobicContact CD2-CD1 4.23Å; L789-L817 HydrophobicContact CD2-CD1 4Å; W803-L817 HydrophobicContact CH2-CB 4.07Å; W803-L817 HydrophobicContact CZ2-CB 3.88Å; A813-L817 WeakPolarHBondContact O-CG 3.41Å; A813-L817 PolarHBondContact O-N 2.88Å; S814-L817 PolarHBondContact O-N 2.97Å; L817-K819 PolarHBondContact O-N 3.33Å; L817-L820 PolarHBondContact O-N 3.1Å; L817-H821 PolarHBondContact O-N 3.2Å |
| 818 | R | 82.8 | Confident | 81.2 | Confident | 101 Ų | 101 | 90.3 Ų | 90.3 | 38% | 0.381 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 177.1 | -169.1 | 172.6 | 61.3 | 176.2 | -5.2 | 111.4 | W803 S814 E815 I816 L820 H821 Y822 | W803-R818 HydrophobicContact CD2-CB 3.83Å; W803-R818 HydrophobicContact CD2-CG 3.61Å; W803-R818 VanDerWaalsContact CE2-CB 3.46Å; W803-R818 HydrophobicContact CE3-CB 4.24Å; W803-R818 HydrophobicContact CE3-CG 3.92Å; W803-R818 HydrophobicContact CG-CB 4.41Å; W803-R818 HydrophobicContact CG-CG 3.93Å; W803-R818 HydrophobicContact CH2-CB 4.05Å; W803-R818 HydrophobicContact CZ2-CB 3.59Å; W803-R818 HydrophobicContact CZ2-CG 4.31Å; W803-R818 HydrophobicContact CZ3-CB 4.34Å; W803-R818 HydrophobicContact CZ3-CG 4.39Å; S814-R818 WeakPolarHBondContact O-CB 3.39Å; S814-R818 PolarHBondContact O-N 3.22Å; E815-R818 PolarHBondContact O-N 3.48Å; I816-R818 VanDerWaalsContact C-N 3.28Å; I816-R818 PolarHBondContact O-N 3.08Å; R818-L820 VanDerWaalsContact C-N 3.28Å; R818-L820 PolarHBondContact O-N 3.19Å; R818-H821 PolarHBondContact O-N 3.36Å; R818-Y822 HydrophobicContact CG-CD2 4.02Å; R818-Y822 HydrophobicContact CG-CE2 3.8Å; R818-Y822 WeakPolarHBondContact O-CD2 3.46Å; R818-Y822 PolarHBondContact O-N 3.3Å |
| 819 | K | 82.8 | Confident | 81.4 | Confident | 140 Ų | 140 | 93.5 Ų | 93.5 | 61% | 0.609 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | -178.6 | -71.4 | 174.8 | -177 | 171.4 | 0 | 112 | E815 I816 L817 | E815-K819 PolarHBondContact O-N 3.25Å; I816-K819 PolarHBondContact O-N 3.07Å; L817-K819 PolarHBondContact O-N 3.33Å |
| 820 | L | 85.1 | Confident | 81.5 | Confident | 109 Ų | 109 | 94.5 Ų | 94.5 | 57% | 0.571 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 179.2 | -78 | 161.9 | 0 | 0 | 0 | 112.7 | I816 L817 R818 R823 L824 | I816-L820 HydrophobicContact CG2-CD1 4.23Å; I816-L820 PolarHBondContact O-N 3.43Å; L817-L820 PolarHBondContact O-N 3.1Å; R818-L820 VanDerWaalsContact C-N 3.28Å; R818-L820 PolarHBondContact O-N 3.19Å; L820-R823 PolarHBondContact O-N 2.95Å; L820-L824 PolarHBondContact O-N 3.28Å |
| 821 | H | 83.5 | Confident | 81.4 | Confident | 41 Ų | 41 | 102.6 Ų | 102.6 | 19% | 0.19 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | -176.4 | -176 | 65.1 | 0 | 0 | 0 | 113.2 | P794 W803 L817 R818 R823 L824 M825 | P794-H821 PolarHBondContact O-NE2 3.47Å; W803-H821 HydrophobicContact CZ3-CB 4.12Å; L817-H821 PolarHBondContact O-N 3.2Å; R818-H821 PolarHBondContact O-N 3.36Å; H821-R823 VanDerWaalsContact C-N 3.34Å; H821-R823 PolarHBondContact O-N 2.93Å; H821-L824 WeakPolarHBondContact O-CB 3.27Å; H821-L824 PolarHBondContact O-N 2.87Å; H821-M825 PolarHBondContact O-N 3.47Å |
| 822 | Y | 81 | Confident | 81.3 | Confident | 48 Ų | 48 | 102.2 Ų | 102.2 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | -179.2 | -83.4 | -79.7 | 0 | 0 | 0 | 113 | P794 D799 K800 R818 L824 M825 V826 | P794-Y822 HydrophobicContact CB-CE1 4.42Å; P794-Y822 HydrophobicContact CG-CE1 4.44Å; P794-Y822 HydrophobicContact CG-CE2 4.23Å; P794-Y822 WeakPolarHBondContact CG-OH 3.35Å; D799-Y822 VanDerWaalsContact O-CE1 3.31Å; D799-Y822 WeakPolarHBondContact O-CE1 3.16Å; D799-Y822 PolarHBondContact O-OH 2.84Å; K800-Y822 WeakPolarHBondContact CA-OH 3.24Å; R818-Y822 HydrophobicContact CG-CD2 4.02Å; R818-Y822 HydrophobicContact CG-CE2 3.8Å; R818-Y822 WeakPolarHBondContact O-CD2 3.46Å; R818-Y822 PolarHBondContact O-N 3.3Å; Y822-L824 VanDerWaalsContact C-N 3.3Å; Y822-L824 PolarHBondContact O-N 2.88Å; Y822-M825 PolarHBondContact O-N 3.06Å; Y822-V826 WeakPolarHBondContact O-CG2 3.18Å; Y822-V826 PolarHBondContact O-N 2.89Å |
| 823 | R | 82.6 | Confident | 81.1 | Confident | 206 Ų | 206 | 98.7 Ų | 98.7 | 78% | 0.777 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -39.6 | 176.9 | -79.4 | -179.8 | 161.8 | -179.4 | -4.1 | 112.2 | L820 H821 | L820-R823 PolarHBondContact O-N 2.95Å; H821-R823 VanDerWaalsContact C-N 3.34Å; H821-R823 PolarHBondContact O-N 2.93Å |
| 824 | L | 82.3 | Confident | 81 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.1 | -168 | 107 | 0 | 0 | 0 | 111.8 | L820 H821 Y822 R827 K828 | L820-L824 PolarHBondContact O-N 3.28Å; H821-L824 WeakPolarHBondContact O-CB 3.27Å; H821-L824 PolarHBondContact O-N 2.87Å; Y822-L824 VanDerWaalsContact C-N 3.3Å; Y822-L824 PolarHBondContact O-N 2.88Å; L824-R827 PolarHBondContact O-N 2.89Å; L824-K828 PolarHBondContact O-N 3.05Å |
| 825 | M | 81.2 | Confident | 80.5 | Confident | 25 Ų | 25 | 104.7 Ų | 104.7 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | -178.5 | -75.1 | -132.5 | -67.8 | 0 | 0 | 113.3 | P794 T796 V797 H821 Y822 R827 K828 Y829 | P794-M825 HydrophobicContact CB-CE 3.88Å; P794-M825 VanDerWaalsContact O-CE 3.3Å; P794-M825 WeakPolarHBondContact O-CE 3.37Å; T796-M825 VanDerWaalsContact C-CE 3.46Å; T796-M825 WeakPolarHBondContact O-CE 3.27Å; V797-M825 HydrophobicContact CG2-CB 4.16Å; H821-M825 PolarHBondContact O-N 3.47Å; Y822-M825 PolarHBondContact O-N 3.06Å; M825-R827 PolarHBondContact O-N 3.2Å; M825-K828 PolarHBondContact O-N 2.94Å; M825-K828 VanDerWaalsContact O-N 3.16Å; M825-Y829 PolarHBondContact O-N 3.44Å |
| 826 | V | 79.7 | Confident | 80 | Confident | 73 Ų | 73 | 108.4 Ų | 108.4 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.2 | -42.2 | 178 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V797 Y822 K828 Y829 V830 | V797-V826 HydrophobicContact CG1-CG2 3.65Å; V797-V826 HydrophobicContact CG2-CG2 4.36Å; Y822-V826 WeakPolarHBondContact O-CG2 3.18Å; Y822-V826 PolarHBondContact O-N 2.89Å; V826-K828 PolarHBondContact O-N 2.66Å; V826-Y829 PolarHBondContact O-N 2.75Å; V826-V830 PolarHBondContact O-N 2.67Å |
| 827 | R | 80.3 | Confident | 79.4 | Confident | 167 Ų | 167 | 109.8 Ų | 109.8 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -35.6 | -178.5 | -157.5 | 174.1 | -169 | 159 | 2.9 | 112.8 | L824 M825 | L824-R827 PolarHBondContact O-N 2.89Å; M825-R827 PolarHBondContact O-N 3.2Å |
| 828 | K | 79.7 | Confident | 79 | Confident | 152 Ų | 152 | 112.5 Ų | 112.5 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 176.1 | -79 | -173.2 | 174.7 | -177 | 0 | 112.1 | L824 M825 V826 R831 G832 | L824-K828 PolarHBondContact O-N 3.05Å; M825-K828 PolarHBondContact O-N 2.94Å; M825-K828 VanDerWaalsContact O-N 3.16Å; V826-K828 PolarHBondContact O-N 2.66Å; K828-R831 PolarHBondContact O-N 3.05Å; K828-G832 PolarHBondContact O-N 3.18Å |
| 829 | Y | 78.1 | Confident | 78.6 | Confident | 161 Ų | 161 | 109.8 Ų | 109.8 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | -178 | 179 | -101.1 | 0 | 0 | 0 | 112.7 | M825 V826 R831 G832 | M825-Y829 PolarHBondContact O-N 3.44Å; V826-Y829 PolarHBondContact O-N 2.75Å; Y829-R831 VanDerWaalsContact C-N 3.32Å; Y829-R831 PolarHBondContact O-N 2.87Å; Y829-G832 PolarHBondContact O-N 2.97Å; Y829-G832 VanDerWaalsContact O-N 3.1Å |
| 830 | V | 76.3 | Confident | 78.2 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | -177.8 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | V826 G832 | V826-V830 PolarHBondContact O-N 2.67Å; V830-G832 VanDerWaalsContact C-N 3.25Å; V830-G832 PolarHBondContact O-N 3.49Å |
| 831 | R | 76.6 | Confident | 77.8 | Confident | 194 Ų | 194 | 105.5 Ų | 105.5 | 73% | 0.732 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.1 | -16.4 | 178.1 | -72.4 | -177.5 | 171.9 | -177.9 | -4.6 | 113.6 | K828 Y829 | K828-R831 PolarHBondContact O-N 3.05Å; Y829-R831 VanDerWaalsContact C-N 3.32Å; Y829-R831 PolarHBondContact O-N 2.87Å |
| 832 | G | 75 | Confident | 77.6 | Confident | 59 Ų | 59 | 108.9 Ų | 108.9 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K828 Y829 V830 P834 | K828-G832 PolarHBondContact O-N 3.18Å; Y829-G832 PolarHBondContact O-N 2.97Å; Y829-G832 VanDerWaalsContact O-N 3.1Å; V830-G832 VanDerWaalsContact C-N 3.25Å; V830-G832 PolarHBondContact O-N 3.49Å; G832-P834 WeakPolarHBondContact O-CD 3.5Å |
| 833 | I | 78.3 | Confident | 77.5 | Confident | 83 Ų | 83 | 109.5 Ų | 109.5 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | trans | -87.1 | 118.6 | -176.2 | -58.5 | 177 | 0 | 0 | 0 | 110.9 | ||||
| 834 | P | 78.2 | Confident | 77.4 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | trans | -76.1 | 155.2 | -177.7 | 27 | -31.5 | 0 | 0 | 0 | 113.7 | G832 Q836 K837 K838 | G832-P834 WeakPolarHBondContact O-CD 3.5Å; P834-Q836 PolarHBondContact O-N 3.02Å; P834-K837 HydrophobicContact CG-CB 4.02Å; P834-K837 PolarHBondContact O-N 3.23Å; P834-K838 PolarHBondContact O-N 3.23Å | ||
| 835 | P | 74.3 | Confident | 77.4 | Confident | 108 Ų | 108 | 101.9 Ų | 101.9 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | -174.8 | -22.6 | 32.3 | 0 | 0 | 0 | 114.7 | K837 K838 A839 | P835-K837 PolarHBondContact O-N 2.89Å; P835-K838 WeakPolarHBondContact O-CB 3.45Å; P835-K838 PolarHBondContact O-N 3.32Å; P835-A839 PolarHBondContact O-N 2.94Å; P835-A839 VanDerWaalsContact O-N 3.07Å |
| 836 | Q | 72.1 | Confident | 77.4 | Confident | 174 Ų | 174 | 102.7 Ų | 102.7 | 81% | 0.813 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 179.5 | -68.4 | 171 | -13.4 | 0 | 0 | 111.9 | P834 K838 A839 Q840 | P834-Q836 PolarHBondContact O-N 3.02Å; Q836-K838 VanDerWaalsContact C-N 3.29Å; Q836-K838 PolarHBondContact O-N 3.48Å; Q836-A839 PolarHBondContact O-N 3.19Å; Q836-Q840 PolarHBondContact O-N 3.23Å; Q836-Q840 VanDerWaalsContact O-N 3.1Å |
| 837 | K | 72.7 | Confident | 77.5 | Confident | 125 Ų | 125 | 99.3 Ų | 99.3 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -33 | 177.6 | -163.8 | 169.1 | -174.4 | 173.8 | 0 | 111.3 | P834 P835 L841 | P834-K837 HydrophobicContact CG-CB 4.02Å; P834-K837 PolarHBondContact O-N 3.23Å; P835-K837 PolarHBondContact O-N 2.89Å; K837-L841 WeakPolarHBondContact O-CB 3.32Å; K837-L841 VanDerWaalsContact O-CG 3.23Å; K837-L841 WeakPolarHBondContact O-CG 3.3Å; K837-L841 PolarHBondContact O-N 3.45Å |
| 838 | K | 76.5 | Confident | 77.5 | Confident | 129 Ų | 129 | 93 Ų | 93 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 172.6 | -170.8 | -180 | 178.7 | -178.1 | 0 | 111.8 | P834 P835 Q836 L841 Q842 | P834-K838 PolarHBondContact O-N 3.23Å; P835-K838 WeakPolarHBondContact O-CB 3.45Å; P835-K838 PolarHBondContact O-N 3.32Å; Q836-K838 VanDerWaalsContact C-N 3.29Å; Q836-K838 PolarHBondContact O-N 3.48Å; K838-L841 PolarHBondContact O-N 2.93Å; K838-Q842 WeakPolarHBondContact O-CG 3.26Å; K838-Q842 PolarHBondContact O-N 2.89Å |
| 839 | A | 74.9 | Confident | 77.6 | Confident | 45 Ų | 45 | 89.5 Ų | 89.5 | 37% | 0.372 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P835 Q836 L841 Q842 M843 | P835-A839 PolarHBondContact O-N 2.94Å; P835-A839 VanDerWaalsContact O-N 3.07Å; Q836-A839 PolarHBondContact O-N 3.19Å; A839-L841 PolarHBondContact O-N 2.86Å; A839-Q842 WeakPolarHBondContact O-CB 3.41Å; A839-Q842 PolarHBondContact O-N 2.86Å; A839-M843 PolarHBondContact O-N 2.87Å; A839-M843 VanDerWaalsContact O-N 3.08Å |
| 840 | Q | 74.5 | Confident | 77.5 | Confident | 62 Ų | 62 | 83 Ų | 83 | 29% | 0.29 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.7 | -166.9 | -175.3 | 32.7 | 0 | 0 | 112.1 | Q836 Q842 M843 K844 | Q836-Q840 PolarHBondContact O-N 3.23Å; Q836-Q840 VanDerWaalsContact O-N 3.1Å; Q840-Q842 VanDerWaalsContact C-N 3.31Å; Q840-Q842 PolarHBondContact O-N 3.49Å; Q840-M843 PolarHBondContact O-N 3.17Å; Q840-K844 PolarHBondContact O-N 3.38Å |
| 841 | L | 75.7 | Confident | 77.8 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 175.2 | -71.9 | 169.7 | 0 | 0 | 0 | 111.4 | K837 K838 A839 K844 V845 | K837-L841 WeakPolarHBondContact O-CB 3.32Å; K837-L841 VanDerWaalsContact O-CG 3.23Å; K837-L841 WeakPolarHBondContact O-CG 3.3Å; K837-L841 PolarHBondContact O-N 3.45Å; K838-L841 PolarHBondContact O-N 2.93Å; A839-L841 PolarHBondContact O-N 2.86Å; L841-K844 PolarHBondContact O-N 2.93Å; L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 3.31Å; L841-V845 VanDerWaalsContact O-N 3.12Å |
| 842 | Q | 80.5 | Confident | 77.9 | Confident | 113 Ų | 113 | 76 Ų | 76 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.6 | -73.1 | 171.7 | -27.3 | 0 | 0 | 112.7 | K838 A839 Q840 K844 V845 V846 | K838-Q842 WeakPolarHBondContact O-CG 3.26Å; K838-Q842 PolarHBondContact O-N 2.89Å; A839-Q842 WeakPolarHBondContact O-CB 3.41Å; A839-Q842 PolarHBondContact O-N 2.86Å; Q840-Q842 VanDerWaalsContact C-N 3.31Å; Q840-Q842 PolarHBondContact O-N 3.49Å; Q842-K844 VanDerWaalsContact C-N 3.33Å; Q842-K844 PolarHBondContact O-N 3.38Å; Q842-V845 WeakPolarHBondContact O-CB 3.4Å; Q842-V845 PolarHBondContact O-N 2.97Å; Q842-V845 VanDerWaalsContact O-N 3.12Å; Q842-V846 PolarHBondContact O-N 3.08Å |
| 843 | M | 78.6 | Confident | 78 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 30% | 0.3 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.3 | -72.9 | -172.4 | -75.7 | 0 | 0 | 112.3 | A839 Q840 V845 V846 T847 F866 | A839-M843 PolarHBondContact O-N 2.87Å; A839-M843 VanDerWaalsContact O-N 3.08Å; Q840-M843 PolarHBondContact O-N 3.17Å; M843-V845 VanDerWaalsContact C-N 3.27Å; M843-V845 PolarHBondContact O-N 3.38Å; M843-V846 WeakPolarHBondContact O-CB 3.28Å; M843-V846 PolarHBondContact O-N 2.92Å; M843-V846 VanDerWaalsContact O-N 3.12Å; M843-T847 PolarHBondContact O-N 3.46Å; M843-T847 PolarHBondContact O-OG1 3.12Å; M843-F866 HydrophobicContact CB-CD2 4.31Å |
| 844 | K | 80 | Confident | 78 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 18% | 0.183 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.9 | -27.8 | 175.6 | -74 | -168.4 | 170.2 | -174.8 | 0 | 113.1 | Q840 L841 Q842 V846 S848 I862 Q864 | Q840-K844 PolarHBondContact O-N 3.38Å; L841-K844 PolarHBondContact O-N 2.93Å; Q842-K844 VanDerWaalsContact C-N 3.33Å; Q842-K844 PolarHBondContact O-N 3.38Å; K844-V846 VanDerWaalsContact C-N 3.35Å; K844-S848 WeakPolarHBondContact O-CB 3.29Å; K844-S848 PolarHBondContact O-N 2.87Å; K844-I862 PolarHBondContact NZ-O 3.22Å; K844-Q864 VanDerWaalsContact CE-O 3.29Å; K844-Q864 WeakPolarHBondContact CE-O 3.44Å; K844-Q864 PolarHBondContact NZ-O 3.26Å |
| 845 | V | 82.9 | Confident | 78.1 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 62% | 0.624 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L841 Q842 M843 S848 A849 | L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 3.31Å; L841-V845 VanDerWaalsContact O-N 3.12Å; Q842-V845 WeakPolarHBondContact O-CB 3.4Å; Q842-V845 PolarHBondContact O-N 2.97Å; Q842-V845 VanDerWaalsContact O-N 3.12Å; M843-V845 VanDerWaalsContact C-N 3.27Å; M843-V845 PolarHBondContact O-N 3.38Å; V845-S848 WeakPolarHBondContact O-CB 3.17Å; V845-S848 PolarHBondContact O-N 3.41Å; V845-A849 PolarHBondContact O-N 3.38Å |
| 846 | V | 80.1 | Confident | 78.3 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | Q842 M843 K844 S848 A849 I850 T974 | Q842-V846 PolarHBondContact O-N 3.08Å; M843-V846 WeakPolarHBondContact O-CB 3.28Å; M843-V846 PolarHBondContact O-N 2.92Å; M843-V846 VanDerWaalsContact O-N 3.12Å; K844-V846 VanDerWaalsContact C-N 3.35Å; V846-S848 VanDerWaalsContact C-N 3.26Å; V846-S848 PolarHBondContact O-N 3.5Å; V846-A849 WeakPolarHBondContact O-CB 3.36Å; V846-A849 PolarHBondContact O-N 3.38Å; V846-A849 VanDerWaalsContact O-N 3.09Å; V846-I850 HydrophobicContact CG1-CD1 4.41Å; V846-I850 PolarHBondContact O-N 3.35Å; V846-T974 HydrophobicContact CG1-CG2 4.41Å |
| 847 | T | 82.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 176.1 | -49.7 | 0 | 0 | 0 | 0 | 112 | M843 A849 I850 F851 Y858 F866 T974 | M843-T847 PolarHBondContact O-N 3.46Å; M843-T847 PolarHBondContact O-OG1 3.12Å; T847-A849 VanDerWaalsContact C-N 3.32Å; T847-A849 PolarHBondContact O-N 3.12Å; T847-I850 PolarHBondContact O-N 3.22Å; T847-F851 HydrophobicContact CG2-CD2 3.79Å; T847-F851 HydrophobicContact CG2-CE2 4.34Å; T847-F851 PolarHBondContact O-N 3.33Å; T847-Y858 HydrophobicContact CG2-CD2 4.38Å; T847-Y858 HydrophobicContact CG2-CE2 3.55Å; T847-F866 HydrophobicContact CG2-CZ 3.94Å; T847-F866 WeakPolarHBondContact OG1-CE2 3.08Å; T847-F866 VanDerWaalsContact OG1-CZ 3.25Å; T847-F866 WeakPolarHBondContact OG1-CZ 3.41Å; T847-T974 WeakPolarHBondContact OG1-CG2 3.4Å; T847-T974 PolarHBondContact OG1-OG1 3.4Å |
| 848 | S | 81.4 | Confident | 78.9 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | K844 V845 V846 I850 K852 Y858 | K844-S848 WeakPolarHBondContact O-CB 3.29Å; K844-S848 PolarHBondContact O-N 2.87Å; V845-S848 WeakPolarHBondContact O-CB 3.17Å; V845-S848 PolarHBondContact O-N 3.41Å; V846-S848 VanDerWaalsContact C-N 3.26Å; V846-S848 PolarHBondContact O-N 3.5Å; S848-I850 VanDerWaalsContact C-N 3.31Å; S848-I850 PolarHBondContact O-N 3.4Å; S848-K852 WeakPolarHBondContact O-CB 3.47Å; S848-K852 PolarHBondContact O-N 3.47Å; S848-K852 VanDerWaalsContact O-N 3.1Å; S848-K852 WeakPolarHBondContact OG-CD 3.38Å; S848-Y858 WeakPolarHBondContact CA-OH 3.25Å; S848-Y858 WeakPolarHBondContact CB-OH 3.23Å; S848-Y858 PolarHBondContact N-OH 3.03Å; S848-Y858 VanDerWaalsContact N-OH 3.17Å |
| 849 | A | 80.9 | Confident | 78.9 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | V845 V846 T847 | V845-A849 PolarHBondContact O-N 3.38Å; V846-A849 WeakPolarHBondContact O-CB 3.36Å; V846-A849 PolarHBondContact O-N 3.38Å; V846-A849 VanDerWaalsContact O-N 3.09Å; T847-A849 VanDerWaalsContact C-N 3.32Å; T847-A849 PolarHBondContact O-N 3.12Å |
| 850 | I | 76.4 | Confident | 78.9 | Confident | 24 Ų | 24 | 64 Ų | 64 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.5 | -47.2 | -177.5 | -59.3 | 172.4 | 0 | 0 | 0 | 111.9 | V846 T847 S848 K854 I986 | V846-I850 HydrophobicContact CG1-CD1 4.41Å; V846-I850 PolarHBondContact O-N 3.35Å; T847-I850 PolarHBondContact O-N 3.22Å; S848-I850 VanDerWaalsContact C-N 3.31Å; S848-I850 PolarHBondContact O-N 3.4Å; I850-K854 WeakPolarHBondContact O-CD 3.3Å; I850-I986 HydrophobicContact CG2-CG2 4.44Å |
| 851 | F | 81.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -111.4 | -16.7 | -166.3 | -63.4 | -76 | 0 | 0 | 0 | 115.6 | T847 G853 K854 K855 Y858 L969 Y970 L973 I986 V988 | T847-F851 HydrophobicContact CG2-CD2 3.79Å; T847-F851 HydrophobicContact CG2-CE2 4.34Å; T847-F851 PolarHBondContact O-N 3.33Å; F851-G853 PolarHBondContact O-N 3.36Å; F851-G853 VanDerWaalsContact O-N 3.09Å; F851-K854 PolarHBondContact O-N 3.49Å; F851-K855 HydrophobicContact CD1-CB 4.34Å; F851-K855 PolarHBondContact O-N 2.72Å; F851-Y858 HydrophobicContact CB-CD1 4.37Å; F851-Y858 HydrophobicContact CB-CD2 3.74Å; F851-Y858 HydrophobicContact CB-CE2 4.29Å; F851-Y858 HydrophobicContact CB-CG 3.79Å; F851-L969 HydrophobicContact CE1-CD2 4.2Å; F851-L969 HydrophobicContact CZ-CD2 4.31Å; F851-Y970 HydrophobicContact CB-CD1 4.23Å; F851-Y970 HydrophobicContact CB-CE1 3.99Å; F851-Y970 AromaticContact CD1-CD1 3.92Å; F851-Y970 HydrophobicContact CD1-CD1 3.92Å; F851-Y970 AromaticContact CD1-CE1 3.66Å; F851-Y970 HydrophobicContact CD1-CE1 3.66Å; F851-Y970 AromaticContact CD2-CD1 3.59Å; F851-Y970 HydrophobicContact CD2-CD1 3.59Å; F851-Y970 HydrophobicContact CD2-CE1 4.11Å; F851-Y970 HydrophobicContact CE1-CD1 4.14Å; F851-Y970 HydrophobicContact CE1-CE1 4.13Å; F851-Y970 AromaticContact CE2-CD1 3.82Å; F851-Y970 HydrophobicContact CE2-CD1 3.82Å; F851-Y970 AromaticContact CG-CD1 3.63Å; F851-Y970 HydrophobicContact CG-CD1 3.63Å; F851-Y970 AromaticContact CG-CE1 3.64Å; F851-Y970 HydrophobicContact CG-CE1 3.64Å; F851-Y970 HydrophobicContact CZ-CD1 4.09Å; F851-L973 HydrophobicContact CE1-CD1 4.28Å; F851-L973 HydrophobicContact CZ-CB 4.12Å; F851-L973 HydrophobicContact CZ-CD1 3.73Å; F851-I986 HydrophobicContact CZ-CG2 4.48Å; F851-V988 HydrophobicContact CD1-CG2 4.5Å |
| 852 | K | 79.9 | Confident | 78.9 | Confident | 149 Ų | 149 | 61.6 Ų | 61.6 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 117.4 | -177.2 | -172.3 | 179.9 | 177.5 | -175 | 0 | 110.2 | S848 K854 Y858 | S848-K852 WeakPolarHBondContact O-CB 3.47Å; S848-K852 PolarHBondContact O-N 3.47Å; S848-K852 VanDerWaalsContact O-N 3.1Å; S848-K852 WeakPolarHBondContact OG-CD 3.38Å; K852-K854 VanDerWaalsContact C-N 3.28Å; K852-K854 PolarHBondContact O-N 3.36Å; K852-Y858 HydrophobicContact CB-CD1 4.15Å; K852-Y858 HydrophobicContact CB-CE1 3.88Å; K852-Y858 HydrophobicContact CG-CE1 4.41Å |
| 853 | G | 75.9 | Confident | 78.5 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 88% | 0.876 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 0.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F851 | F851-G853 PolarHBondContact O-N 3.36Å; F851-G853 VanDerWaalsContact O-N 3.09Å |
| 854 | K | 78.3 | Confident | 78.3 | Confident | 126 Ų | 126 | 63.4 Ų | 63.4 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -29.9 | -179.6 | -62.4 | -173.2 | -169.6 | 163.2 | 0 | 114.7 | I850 F851 K852 V988 | I850-K854 WeakPolarHBondContact O-CD 3.3Å; F851-K854 PolarHBondContact O-N 3.49Å; K852-K854 VanDerWaalsContact C-N 3.28Å; K852-K854 PolarHBondContact O-N 3.36Å; K854-V988 HydrophobicContact CB-CG2 4.34Å |
| 855 | K | 80.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -128.2 | 131.3 | 177 | -170.6 | 171.6 | 173.8 | 84.2 | 0 | 110.4 | F851 S857 Y858 S940 L942 D944 L969 Y970 | F851-K855 HydrophobicContact CD1-CB 4.34Å; F851-K855 PolarHBondContact O-N 2.72Å; K855-S857 VanDerWaalsContact C-N 3.32Å; K855-S857 PolarHBondContact O-N 2.86Å; K855-Y858 PolarHBondContact O-N 3.37Å; K855-S940 PolarHBondContact NZ-O 3.26Å; K855-S940 PolarHBondContact NZ-OG 3.48Å; K855-L942 VanDerWaalsContact CE-O 3.28Å; K855-L942 WeakPolarHBondContact CE-O 3.36Å; K855-L942 PolarHBondContact NZ-O 2.9Å; K855-D944 WeakPolarHBondContact CE-O 3.49Å; K855-D944 PolarHBondContact NZ-O 2.8Å; K855-L969 HydrophobicContact CD-CD2 4.26Å; K855-Y970 HydrophobicContact CD-CE1 4.07Å |
| 856 | E | 78.1 | Confident | 78 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -33.6 | -170.7 | -70.3 | -174.2 | 176.1 | 0 | 0 | 113.8 | Y858 P859 N941 | E856-Y858 PolarHBondContact O-N 2.97Å; E856-P859 WeakPolarHBondContact O-CD 3.32Å; E856-N941 PolarHBondContact N-O 3.31Å; E856-N941 VanDerWaalsContact N-O 3.12Å |
| 857 | S | 77.9 | Confident | 78.1 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 5.1 | -177.5 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | K855 P860 Y970 | K855-S857 VanDerWaalsContact C-N 3.32Å; K855-S857 PolarHBondContact O-N 2.86Å; S857-P860 WeakPolarHBondContact O-CD 3.39Å; S857-P860 WeakPolarHBondContact O-CG 3.29Å; S857-Y970 WeakPolarHBondContact CA-OH 3.47Å; S857-Y970 WeakPolarHBondContact CB-OH 3.39Å; S857-Y970 PolarHBondContact O-OH 3.44Å; S857-Y970 PolarHBondContact OG-OH 3.48Å |
| 858 | Y | 80.8 | Confident | 77.9 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 4% | 0.043 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75.6 | -47.3 | -174.8 | -179.7 | -111.9 | 0 | 0 | 0 | 115.3 | T847 S848 F851 K852 K855 E856 S861 I862 Y970 | T847-Y858 HydrophobicContact CG2-CD2 4.38Å; T847-Y858 HydrophobicContact CG2-CE2 3.55Å; S848-Y858 WeakPolarHBondContact CA-OH 3.25Å; S848-Y858 WeakPolarHBondContact CB-OH 3.23Å; S848-Y858 PolarHBondContact N-OH 3.03Å; S848-Y858 VanDerWaalsContact N-OH 3.17Å; F851-Y858 HydrophobicContact CB-CD1 4.37Å; F851-Y858 HydrophobicContact CB-CD2 3.74Å; F851-Y858 HydrophobicContact CB-CE2 4.29Å; F851-Y858 HydrophobicContact CB-CG 3.79Å; K852-Y858 HydrophobicContact CB-CD1 4.15Å; K852-Y858 HydrophobicContact CB-CE1 3.88Å; K852-Y858 HydrophobicContact CG-CE1 4.41Å; K855-Y858 PolarHBondContact O-N 3.37Å; E856-Y858 PolarHBondContact O-N 2.97Å; Y858-S861 WeakPolarHBondContact CD2-OG 3.4Å; Y858-S861 WeakPolarHBondContact O-CB 3.38Å; Y858-S861 PolarHBondContact O-N 2.85Å; Y858-S861 PolarHBondContact O-OG 3.01Å; Y858-I862 HydrophobicContact CE1-CD1 4.23Å; Y858-I862 HydrophobicContact CE1-CG1 4.28Å; Y858-Y970 WeakPolarHBondContact CA-OH 3.17Å; Y858-Y970 HydrophobicContact CD2-CD1 4.1Å; Y858-Y970 HydrophobicContact CD2-CE1 4.06Å; Y858-Y970 HydrophobicContact CD2-CG 4.4Å; Y858-Y970 PolarHBondContact N-OH 3.25Å |
| 859 | P | 76.4 | Confident | 77.8 | Confident | 87 Ų | 87 | 71 Ų | 71 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -52.2 | -45.1 | -178.4 | -25.4 | 34.6 | 0 | 0 | 0 | 115.6 | E856 S861 I862 | E856-P859 WeakPolarHBondContact O-CD 3.32Å; P859-S861 PolarHBondContact O-N 3.25Å; P859-I862 PolarHBondContact O-N 3.2Å |
| 860 | P | 74.6 | Confident | 77.9 | Confident | 92 Ų | 92 | 71 Ų | 71 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.4 | -19.9 | 178 | 25.7 | -33.2 | 0 | 0 | 0 | 113.3 | S857 I862 | S857-P860 WeakPolarHBondContact O-CD 3.39Å; S857-P860 WeakPolarHBondContact O-CG 3.29Å; P860-I862 VanDerWaalsContact C-N 3.33Å; P860-I862 PolarHBondContact O-N 3.03Å |
| 861 | S | 72.8 | Confident | 78 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.3 | -17.1 | 179.1 | 78.7 | 0 | 0 | 0 | 0 | 114 | Y858 P859 A863 Q864 | Y858-S861 WeakPolarHBondContact CD2-OG 3.4Å; Y858-S861 WeakPolarHBondContact O-CB 3.38Å; Y858-S861 PolarHBondContact O-N 2.85Å; Y858-S861 PolarHBondContact O-OG 3.01Å; P859-S861 PolarHBondContact O-N 3.25Å; S861-A863 VanDerWaalsContact C-N 3.26Å; S861-A863 PolarHBondContact O-N 3.46Å; S861-Q864 PolarHBondContact O-N 3.09Å |
| 862 | I | 76.8 | Confident | 77.7 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31.9 | -174.5 | -63.1 | 173.6 | 0 | 0 | 0 | 112.1 | K844 Y858 P859 P860 Q864 | K844-I862 PolarHBondContact NZ-O 3.22Å; Y858-I862 HydrophobicContact CE1-CD1 4.23Å; Y858-I862 HydrophobicContact CE1-CG1 4.28Å; P859-I862 PolarHBondContact O-N 3.2Å; P860-I862 VanDerWaalsContact C-N 3.33Å; P860-I862 PolarHBondContact O-N 3.03Å; I862-Q864 VanDerWaalsContact C-N 3.3Å; I862-Q864 PolarHBondContact O-N 3.33Å |
| 863 | A | 73.3 | Confident | 77.2 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 77% | 0.769 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -22.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | S861 | S861-A863 VanDerWaalsContact C-N 3.26Å; S861-A863 PolarHBondContact O-N 3.46Å |
| 864 | Q | 74.4 | Confident | 77.1 | Confident | 120 Ų | 120 | 75.5 Ų | 75.5 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -80.7 | 128.6 | -175.7 | -61.3 | -172.9 | -3.7 | 0 | 0 | 111 | K844 S861 I862 | K844-Q864 VanDerWaalsContact CE-O 3.29Å; K844-Q864 WeakPolarHBondContact CE-O 3.44Å; K844-Q864 PolarHBondContact NZ-O 3.26Å; S861-Q864 PolarHBondContact O-N 3.09Å; I862-Q864 VanDerWaalsContact C-N 3.3Å; I862-Q864 PolarHBondContact O-N 3.33Å |
| 865 | P | 73.8 | Confident | 76.7 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 141 | 178.2 | 29.4 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 866 | F | 82.5 | Confident | 76.4 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 13% | 0.127 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 131.6 | 168.1 | -69.3 | -6.1 | 0 | 0 | 0 | 109.8 | M843 T847 E971 T974 | M843-F866 HydrophobicContact CB-CD2 4.31Å; T847-F866 HydrophobicContact CG2-CZ 3.94Å; T847-F866 WeakPolarHBondContact OG1-CE2 3.08Å; T847-F866 VanDerWaalsContact OG1-CZ 3.25Å; T847-F866 WeakPolarHBondContact OG1-CZ 3.41Å; F866-E971 HydrophobicContact CB-CG 4.39Å; F866-E971 HydrophobicContact CD1-CB 4.17Å; F866-E971 HydrophobicContact CD1-CG 4.27Å; F866-E971 HydrophobicContact CE1-CB 4.33Å; F866-E971 HydrophobicContact CG-CG 4.3Å; F866-T974 HydrophobicContact CE2-CG2 4.36Å |
| 867 | L | 81.4 | Confident | 76.4 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 162.8 | 176.6 | -62 | -177 | 0 | 0 | 0 | 111.4 | E971 K975 | L867-E971 PolarHBondContact N-OE2 2.89Å; L867-E971 VanDerWaalsContact N-OE2 3.12Å; L867-K975 VanDerWaalsContact O-CE 3.23Å; L867-K975 WeakPolarHBondContact O-CE 3.31Å; L867-K975 PolarHBondContact O-NZ 3.3Å |
| 868 | D | 78.8 | Confident | 76.3 | Confident | 136 Ų | 136 | 78.7 Ų | 78.7 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -72.9 | -44.7 | -177.7 | -72.8 | -32.7 | 0 | 0 | 0 | 113.7 | Y891 K975 | D868-Y891 WeakPolarHBondContact O-CD2 3.39Å; D868-K975 VanDerWaalsContact C-NZ 3.26Å; D868-K975 VanDerWaalsContact CA-NZ 3.3Å; D868-K975 PolarHBondContact O-NZ 3.39Å |
| 869 | T | 78.6 | Confident | 76 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | trans | -147.4 | 155.1 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 870 | R | 83.3 | Confident | 76 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -104.5 | -24.9 | -179.4 | -67 | -71.3 | -178.8 | 160 | -3 | 113.7 | Y891 S892 V893 H968 E971 | R870-Y891 HydrophobicContact CG-CE2 4.14Å; R870-Y891 WeakPolarHBondContact CG-OH 3.22Å; R870-S892 WeakPolarHBondContact CA-O 3.37Å; R870-S892 WeakPolarHBondContact CB-O 3.29Å; R870-S892 PolarHBondContact N-O 2.95Å; R870-V893 HydrophobicContact CB-CG2 4.43Å; R870-H968 PolarHBondContact NH1-CE1 3.38Å; R870-E971 WeakPolarHBondContact CG-OE1 3.27Å; R870-E971 IonicContact CZ-OE1 3.73Å; R870-E971 IonicContact CZ-OE2 3.82Å; R870-E971 IonicContact NE-OE1 3.5Å; R870-E971 PolarHBondContact NE-OE1 3.12Å; R870-E971 IonicContact NE-OE2 2.69Å; R870-E971 PolarHBondContact NE-OE2 2.9Å; R870-E971 IonicContact NH2-OE1 2.87Å; R870-E971 IonicContact NH2-OE2 3.95Å; R870-E971 PolarHBondContact NH2-OE2 3.41Å |
| 871 | I | 78.5 | Confident | 76 | Confident | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -113.8 | 120 | 169.9 | -57.8 | 178.4 | 0 | 0 | 0 | 107.7 | E875 I876 S892 V893 P894 Q909 | I871-E875 HydrophobicContact CG2-CB 3.77Å; I871-I876 HydrophobicContact CG2-CG1 4.03Å; I871-S892 PolarHBondContact N-O 3.21Å; I871-S892 VanDerWaalsContact N-O 3.14Å; I871-S892 PolarHBondContact N-OG 3.3Å; I871-S892 PolarHBondContact O-OG 2.89Å; I871-V893 VanDerWaalsContact CD1-C 3.44Å; I871-P894 HydrophobicContact CD1-CB 4.08Å; I871-P894 HydrophobicContact CD1-CG 4.45Å; I871-Q909 HydrophobicContact CD1-CB 4.23Å; I871-Q909 HydrophobicContact CD1-CG 3.88Å |
| 872 | S | 75.4 | Confident | 76.2 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | trans | -65.3 | 151.7 | 177.3 | 69 | 0 | 0 | 0 | 0 | 111.1 | Q874 E875 | S872-Q874 PolarHBondContact O-N 3.1Å; S872-E875 PolarHBondContact O-N 2.83Å; S872-E875 VanDerWaalsContact O-N 3.1Å; S872-E875 WeakPolarHBondContact OG-CG 3.47Å; S872-E875 PolarHBondContact OG-OE1 3.31Å | ||
| 873 | E | 68.3 | Low | 76.1 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -58.5 | -23.8 | 178.3 | -69.9 | -173.3 | 165.4 | 0 | 0 | 112.6 | I876 L881 I889 | E873-I876 PolarHBondContact O-N 2.83Å; E873-L881 VanDerWaalsContact O-CD1 3.31Å; E873-L881 WeakPolarHBondContact O-CD1 3.5Å; E873-I889 HydrophobicContact CG-CD1 4.27Å |
| 874 | Q | 74.8 | Confident | 76.1 | Confident | 186 Ų | 186 | 80.8 Ų | 80.8 | 87% | 0.869 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -73 | -25.1 | 179.6 | -64 | 177.3 | -7.8 | 0 | 0 | 113.6 | S872 I876 | S872-Q874 PolarHBondContact O-N 3.1Å; Q874-I876 VanDerWaalsContact C-N 3.33Å |
| 875 | E | 69.6 | Low | 75.8 | Confident | 122 Ų | 122 | 85.1 Ų | 85.1 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -86 | -7.1 | 179.7 | -72.9 | 162.5 | -129.8 | 0 | 0 | 113.1 | I871 S872 | I871-E875 HydrophobicContact CG2-CB 3.77Å; S872-E875 PolarHBondContact O-N 2.83Å; S872-E875 VanDerWaalsContact O-N 3.1Å; S872-E875 WeakPolarHBondContact OG-CG 3.47Å; S872-E875 PolarHBondContact OG-OE1 3.31Å |
| 876 | I | 74.6 | Confident | 75.6 | Confident | 5 Ų | 5 | 89.8 Ų | 89.8 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -87.6 | 131.7 | 177.4 | -58.1 | 170.3 | 0 | 0 | 0 | 108.2 | I871 E873 Q874 I878 V880 L881 I889 I911 | I871-I876 HydrophobicContact CG2-CG1 4.03Å; E873-I876 PolarHBondContact O-N 2.83Å; Q874-I876 VanDerWaalsContact C-N 3.33Å; I876-I878 PolarHBondContact O-N 3.44Å; I876-V880 HydrophobicContact CG2-CB 4.25Å; I876-V880 HydrophobicContact CG2-CG1 4.2Å; I876-L881 HydrophobicContact CB-CD1 4.34Å; I876-L881 HydrophobicContact CB-CD2 4.04Å; I876-L881 HydrophobicContact CB-CG 4.08Å; I876-L881 HydrophobicContact CD1-CD2 4.36Å; I876-L881 HydrophobicContact CG2-CD2 3.95Å; I876-L881 HydrophobicContact CG2-CG 3.9Å; I876-L881 WeakPolarHBondContact O-CD1 3.44Å; I876-I889 HydrophobicContact CD1-CD1 4.01Å; I876-I911 HydrophobicContact CD1-CD1 3.82Å; I876-I911 HydrophobicContact CD1-CG1 4.17Å; I876-I911 HydrophobicContact CG1-CD1 4.32Å; I876-I911 HydrophobicContact CG2-CD1 3.77Å |
| 877 | N | 78.1 | Confident | 75.1 | Confident | 64 Ų | 64 | 90.2 Ų | 90.2 | 34% | 0.342 | 44% | 0.439 | S | S | . | . | trans | -55.1 | 130.3 | -178.6 | -170.1 | -67.7 | 0 | 0 | 0 | 111.5 | R879 V880 L881 E922 | N877-R879 PolarHBondContact O-N 2.47Å; N877-R879 VanDerWaalsContact O-N 3.08Å; N877-R879 PolarHBondContact OD1-N 3.35Å; N877-R879 VanDerWaalsContact OD1-N 3.08Å; N877-V880 HydrophobicContact CB-CG2 4.28Å; N877-V880 WeakPolarHBondContact O-CA 3.49Å; N877-V880 WeakPolarHBondContact O-CB 3.44Å; N877-V880 PolarHBondContact O-N 3.32Å; N877-L881 PolarHBondContact O-N 2.8Å; N877-L881 VanDerWaalsContact O-N 3.15Å; N877-E922 VanDerWaalsContact CB-O 3.3Å; N877-E922 WeakPolarHBondContact CB-O 3.46Å | ||
| 878 | I | 75.8 | Confident | 74.8 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 71% | 0.713 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55 | -34.4 | -173.9 | -59.7 | 168.5 | 0 | 0 | 0 | 112.4 | I876 V880 L881 S882 | I876-I878 PolarHBondContact O-N 3.44Å; I878-V880 VanDerWaalsContact C-N 3.31Å; I878-V880 PolarHBondContact O-N 2.77Å; I878-L881 PolarHBondContact O-N 2.87Å; I878-S882 PolarHBondContact O-N 3.16Å |
| 879 | R | 74.1 | Confident | 74.9 | Confident | 172 Ų | 172 | 86.3 Ų | 86.3 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 176.5 | -72.1 | -174.3 | 176.2 | 172 | 0.3 | 112.1 | N877 S882 M883 A923 | N877-R879 PolarHBondContact O-N 2.47Å; N877-R879 VanDerWaalsContact O-N 3.08Å; N877-R879 PolarHBondContact OD1-N 3.35Å; N877-R879 VanDerWaalsContact OD1-N 3.08Å; R879-S882 PolarHBondContact O-N 3.01Å; R879-S882 PolarHBondContact O-OG 2.81Å; R879-M883 WeakPolarHBondContact O-CG 3.36Å; R879-M883 PolarHBondContact O-N 3.46Å; R879-M883 VanDerWaalsContact O-N 3.13Å; R879-A923 HydrophobicContact CB-CB 4.48Å |
| 880 | V | 77.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | I876 N877 I878 S882 M883 I884 I911 V920 I925 | I876-V880 HydrophobicContact CG2-CB 4.25Å; I876-V880 HydrophobicContact CG2-CG1 4.2Å; N877-V880 HydrophobicContact CB-CG2 4.28Å; N877-V880 WeakPolarHBondContact O-CA 3.49Å; N877-V880 WeakPolarHBondContact O-CB 3.44Å; N877-V880 PolarHBondContact O-N 3.32Å; I878-V880 VanDerWaalsContact C-N 3.31Å; I878-V880 PolarHBondContact O-N 2.77Å; V880-S882 VanDerWaalsContact C-N 3.26Å; V880-S882 PolarHBondContact O-N 3.03Å; V880-M883 PolarHBondContact O-N 3.31Å; V880-M883 VanDerWaalsContact O-N 3.13Å; V880-I884 HydrophobicContact CG1-CD1 3.75Å; V880-I884 WeakPolarHBondContact O-CG1 3.36Å; V880-I884 PolarHBondContact O-N 3.22Å; V880-I911 HydrophobicContact CG1-CD1 4.32Å; V880-V920 HydrophobicContact CB-CG1 4.32Å; V880-V920 HydrophobicContact CG1-CG1 3.96Å; V880-V920 HydrophobicContact CG1-CG2 3.76Å; V880-V920 HydrophobicContact CG2-CG1 3.62Å; V880-I925 HydrophobicContact CG1-CD1 4.43Å; V880-I925 HydrophobicContact CG1-CG1 4.06Å |
| 881 | L | 74.1 | Confident | 75.2 | Confident | 48 Ų | 48 | 83.4 Ų | 83.4 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 172.4 | -68 | 170.3 | 0 | 0 | 0 | 111.9 | E873 I876 N877 I878 M883 I884 R885 I889 | E873-L881 VanDerWaalsContact O-CD1 3.31Å; E873-L881 WeakPolarHBondContact O-CD1 3.5Å; I876-L881 HydrophobicContact CB-CD1 4.34Å; I876-L881 HydrophobicContact CB-CD2 4.04Å; I876-L881 HydrophobicContact CB-CG 4.08Å; I876-L881 HydrophobicContact CD1-CD2 4.36Å; I876-L881 HydrophobicContact CG2-CD2 3.95Å; I876-L881 HydrophobicContact CG2-CG 3.9Å; I876-L881 WeakPolarHBondContact O-CD1 3.44Å; N877-L881 PolarHBondContact O-N 2.8Å; N877-L881 VanDerWaalsContact O-N 3.15Å; I878-L881 PolarHBondContact O-N 2.87Å; L881-M883 VanDerWaalsContact C-N 3.35Å; L881-I884 PolarHBondContact O-N 3.3Å; L881-R885 WeakPolarHBondContact O-CA 3.45Å; L881-R885 PolarHBondContact O-N 2.63Å; L881-I889 HydrophobicContact CD2-CD1 3.86Å |
| 882 | S | 76.2 | Confident | 75.5 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 175.8 | 77.9 | 0 | 0 | 0 | 0 | 113 | I878 R879 V880 | I878-S882 PolarHBondContact O-N 3.16Å; R879-S882 PolarHBondContact O-N 3.01Å; R879-S882 PolarHBondContact O-OG 2.81Å; V880-S882 VanDerWaalsContact C-N 3.26Å; V880-S882 PolarHBondContact O-N 3.03Å |
| 883 | M | 75.2 | Confident | 76 | Confident | 132 Ų | 132 | 81.1 Ų | 81.1 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -74.5 | -29.4 | 176.9 | -72.4 | -179.5 | 176.9 | 0 | 0 | 112.9 | R879 V880 L881 I925 | R879-M883 WeakPolarHBondContact O-CG 3.36Å; R879-M883 PolarHBondContact O-N 3.46Å; R879-M883 VanDerWaalsContact O-N 3.13Å; V880-M883 PolarHBondContact O-N 3.31Å; V880-M883 VanDerWaalsContact O-N 3.13Å; L881-M883 VanDerWaalsContact C-N 3.35Å; M883-I925 HydrophobicContact CB-CD1 3.98Å; M883-I925 HydrophobicContact SD-CD1 4.18Å |
| 884 | I | 74 | Confident | 76.8 | Confident | 11 Ų | 11 | 79 Ų | 79 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -102.1 | 7.4 | -176.5 | -53.8 | 172.2 | 0 | 0 | 0 | 111 | V880 L881 N886 E887 I911 T913 H918 I925 | V880-I884 HydrophobicContact CG1-CD1 3.75Å; V880-I884 WeakPolarHBondContact O-CG1 3.36Å; V880-I884 PolarHBondContact O-N 3.22Å; L881-I884 PolarHBondContact O-N 3.3Å; I884-N886 PolarHBondContact O-N 2.96Å; I884-E887 HydrophobicContact CG2-CB 3.92Å; I884-E887 PolarHBondContact O-N 3.25Å; I884-I911 HydrophobicContact CD1-CD1 4.5Å; I884-T913 HydrophobicContact CG2-CG2 3.74Å; I884-H918 HydrophobicContact CD1-CB 4.02Å; I884-I925 HydrophobicContact CD1-CD1 3.85Å; I884-I925 HydrophobicContact CG1-CD1 3.8Å |
| 885 | R | 66.8 | Low | 77.4 | Confident | 212 Ų | 212 | 70.5 Ų | 70.5 | 80% | 0.8 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -27.5 | -171 | -139.7 | 179.5 | -166.6 | -173.6 | 2.9 | 115.2 | L881 | L881-R885 WeakPolarHBondContact O-CA 3.45Å; L881-R885 PolarHBondContact O-N 2.63Å |
| 886 | N | 69.6 | Low | 78.2 | Confident | 168 Ų | 168 | 67.7 Ų | 67.7 | 90% | 0.898 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10 | 178.9 | -65.2 | -8.2 | 0 | 0 | 0 | 113.7 | I884 | I884-N886 PolarHBondContact O-N 2.96Š|
| 887 | E | 72.7 | Confident | 78.8 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -114 | 116.9 | -178.9 | -61.1 | -176.7 | 160.7 | 0 | 0 | 110.4 | I884 I889 T913 T915 H918 R928 | I884-E887 HydrophobicContact CG2-CB 3.92Å; I884-E887 PolarHBondContact O-N 3.25Å; E887-I889 PolarHBondContact O-N 2.83Å; E887-T913 HydrophobicContact CB-CG2 3.75Å; E887-T913 PolarHBondContact OE2-OG1 3.32Å; E887-T915 PolarHBondContact OE1-OG1 3.45Å; E887-T915 PolarHBondContact OE2-OG1 3.28Å; E887-H918 IonicContact OE2-CD2 2.8Å; E887-H918 IonicContact OE2-CE1 2.75Å; E887-H918 IonicContact OE2-NE2 3.7Å; E887-H918 PolarHBondContact OE2-NE2 3.12Å; E887-R928 IonicContact OE1-CZ 3.66Å; E887-R928 IonicContact OE1-NH2 3.71Å; E887-R928 PolarHBondContact OE1-NH2 2.83Å |
| 888 | Q | 76.4 | Confident | 79 | Confident | 112 Ų | 112 | 66.9 Ų | 66.9 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | trans | -67.4 | 125.3 | 179.7 | -169.3 | -175.5 | 30.7 | 0 | 0 | 111.3 | K890 T913 | Q888-K890 PolarHBondContact O-N 2.89Å; Q888-T913 WeakPolarHBondContact O-CA 3.37Å | ||
| 889 | I | 80.5 | Confident | 79.2 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 128.9 | 175.2 | -58.6 | 174.6 | 0 | 0 | 0 | 109 | E873 I876 L881 E887 I911 | E873-I889 HydrophobicContact CG-CD1 4.27Å; I876-I889 HydrophobicContact CD1-CD1 4.01Å; L881-I889 HydrophobicContact CD2-CD1 3.86Å; E887-I889 PolarHBondContact O-N 2.83Å; I889-I911 HydrophobicContact CB-CG2 4.42Å; I889-I911 HydrophobicContact CD1-CG2 4.01Å; I889-I911 HydrophobicContact CG1-CG2 3.83Å; I889-I911 HydrophobicContact CG2-CG2 3.85Å |
| 890 | K | 82.3 | Confident | 79.1 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -32.2 | 177.4 | -71.8 | -62.5 | -177.6 | -169.3 | 0 | 112.5 | Q888 L912 K914 I979 | Q888-K890 PolarHBondContact O-N 2.89Å; K890-L912 PolarHBondContact N-O 3.46Å; K890-K914 VanDerWaalsContact CE-CE 3.43Å; K890-K914 HydrophobicContact CG-CG 4.17Å; K890-I979 HydrophobicContact CB-CD1 3.57Å; K890-I979 HydrophobicContact CB-CG1 4.31Å; K890-I979 HydrophobicContact CG-CD1 4.39Å |
| 891 | Y | 84.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 147.8 | 177.6 | -172.1 | -109.3 | 0 | 0 | 0 | 110.4 | D868 R870 V893 L912 E971 F972 K975 | D868-Y891 WeakPolarHBondContact O-CD2 3.39Å; R870-Y891 HydrophobicContact CG-CE2 4.14Å; R870-Y891 WeakPolarHBondContact CG-OH 3.22Å; Y891-V893 HydrophobicContact CD1-CB 4.38Å; Y891-V893 HydrophobicContact CD1-CG1 4.36Å; Y891-V893 HydrophobicContact CE1-CB 3.62Å; Y891-V893 HydrophobicContact CE1-CG1 3.83Å; Y891-V893 HydrophobicContact CE1-CG2 4.27Å; Y891-L912 HydrophobicContact CD1-CD1 4.1Å; Y891-L912 PolarHBondContact N-O 3.16Å; Y891-L912 WeakPolarHBondContact O-CA 3.32Å; Y891-L912 WeakPolarHBondContact O-CB 3.28Å; Y891-L912 PolarHBondContact O-N 3.2Å; Y891-E971 HydrophobicContact CE2-CG 4.38Å; Y891-E971 VanDerWaalsContact CE2-OE1 3.27Å; Y891-E971 WeakPolarHBondContact CE2-OE1 3.44Å; Y891-E971 PolarHBondContact OH-OE1 2.8Å; Y891-F972 AromaticContact CD1-CD2 3.99Å; Y891-F972 HydrophobicContact CD1-CD2 3.99Å; Y891-F972 HydrophobicContact CE1-CB 3.97Å; Y891-F972 AromaticContact CE1-CD2 3.81Å; Y891-F972 HydrophobicContact CE1-CD2 3.81Å; Y891-F972 HydrophobicContact CE1-CG 4.39Å; Y891-K975 HydrophobicContact CD2-CD 3.45Å; Y891-K975 VanDerWaalsContact CD2-CD 3.45Å; Y891-K975 HydrophobicContact CE2-CD 3.77Å; Y891-K975 HydrophobicContact CG-CD 3.89Å |
| 892 | S | 85.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 132.2 | -176.3 | 48.1 | 0 | 0 | 0 | 0 | 107.7 | R870 I871 L910 | R870-S892 WeakPolarHBondContact CA-O 3.37Å; R870-S892 WeakPolarHBondContact CB-O 3.29Å; R870-S892 PolarHBondContact N-O 2.95Å; I871-S892 PolarHBondContact N-O 3.21Å; I871-S892 VanDerWaalsContact N-O 3.14Å; I871-S892 PolarHBondContact N-OG 3.3Å; I871-S892 PolarHBondContact O-OG 2.89Å; S892-L910 WeakPolarHBondContact CA-O 3.12Å |
| 893 | V | 86.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 140.7 | -173.3 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | R870 I871 Y891 V895 L910 H968 F972 | R870-V893 HydrophobicContact CB-CG2 4.43Å; I871-V893 VanDerWaalsContact CD1-C 3.44Å; Y891-V893 HydrophobicContact CD1-CB 4.38Å; Y891-V893 HydrophobicContact CD1-CG1 4.36Å; Y891-V893 HydrophobicContact CE1-CB 3.62Å; Y891-V893 HydrophobicContact CE1-CG1 3.83Å; Y891-V893 HydrophobicContact CE1-CG2 4.27Å; V893-V895 HydrophobicContact CG1-CG1 3.92Å; V893-L910 HydrophobicContact CG1-CB 4.27Å; V893-L910 PolarHBondContact N-O 3.38Å; V893-L910 PolarHBondContact O-N 3.41Å; V893-H968 HydrophobicContact CG2-CB 4.47Å; V893-F972 HydrophobicContact CG1-CD2 3.91Å; V893-F972 HydrophobicContact CG1-CE2 4.31Å; V893-F972 HydrophobicContact CG1-CG 4.47Å |
| 894 | P | 85.2 | Confident | 78.6 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 139.2 | 174.6 | 30.1 | -32.9 | 0 | 0 | 0 | 109.1 | I871 | I871-P894 HydrophobicContact CD1-CB 4.08Å; I871-P894 HydrophobicContact CD1-CG 4.45Å |
| 895 | V | 86.8 | Confident | 79 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154.2 | -178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | V893 R908 L910 L919 I964 Q965 C966 | V893-V895 HydrophobicContact CG1-CG1 3.92Å; V895-R908 CarbonylContact C-O 3.57Å; V895-R908 HydrophobicContact CG2-CB 4.13Å; V895-R908 PolarHBondContact N-O 3.17Å; V895-R908 CarbonylContact O-C 3.51Å; V895-R908 PolarHBondContact O-N 3.1Å; V895-L910 HydrophobicContact CG1-CB 3.89Å; V895-L910 HydrophobicContact CG1-CD2 4.41Å; V895-L910 HydrophobicContact CG2-CB 3.86Å; V895-L919 HydrophobicContact CG2-CD1 4.14Å; V895-I964 HydrophobicContact CB-CG2 3.32Å; V895-I964 HydrophobicContact CG1-CG2 3.79Å; V895-I964 HydrophobicContact CG2-CG2 3.64Å; V895-Q965 WeakPolarHBondContact CA-O 3.29Å; V895-C966 HydrophobicContact CG1-CB 4.22Å |
| 896 | I | 86.3 | Confident | 79.8 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 33% | 0.328 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118 | 173.2 | -58.5 | 173.3 | 0 | 0 | 0 | 108.2 | Y898 P905 I964 Q965 | I896-Y898 HydrophobicContact CG2-CE2 4.23Å; I896-P905 HydrophobicContact CG2-CB 3.6Å; I896-I964 CarbonylContact O-C 3.54Å; I896-I964 WeakPolarHBondContact O-CA 3.42Å; I896-Q965 HydrophobicContact CB-CB 4.36Å; I896-Q965 PolarHBondContact N-O 3.28Å; I896-Q965 PolarHBondContact O-N 3.25Å |
| 897 | K | 87.2 | Confident | 80.4 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 15% | 0.148 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.7 | 179.5 | -178.5 | -116 | 174.3 | -174.1 | 0 | 110 | D899 R906 R908 L919 L962 | K897-D899 IonicContact NZ-OD1 2.78Å; K897-D899 PolarHBondContact NZ-OD1 3.35Å; K897-R906 PolarHBondContact N-O 3.48Å; K897-R906 PolarHBondContact O-N 3.04Å; K897-R908 HydrophobicContact CB-CB 4.41Å; K897-R908 HydrophobicContact CB-CG 3.74Å; K897-L919 HydrophobicContact CB-CD2 4.27Å; K897-L919 HydrophobicContact CD-CD2 3.96Å; K897-L919 HydrophobicContact CG-CD2 3.88Å; K897-L962 HydrophobicContact CG-CD1 3.9Å |
| 898 | Y | 82.9 | Confident | 81.2 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.8 | 177 | -68.9 | -92.4 | 0 | 0 | 0 | 110.8 | I896 F903 P905 I946 I963 Q965 V1015 L1023 | I896-Y898 HydrophobicContact CG2-CE2 4.23Å; Y898-F903 WeakPolarHBondContact CD1-O 3.46Å; Y898-P905 HydrophobicContact CD1-CB 4.26Å; Y898-P905 HydrophobicContact CE1-CB 3.81Å; Y898-I946 HydrophobicContact CD2-CD1 4.49Å; Y898-I946 HydrophobicContact CE2-CD1 3.87Å; Y898-I963 HydrophobicContact CD2-CG2 4.18Å; Y898-I963 PolarHBondContact N-O 3.32Å; Y898-I963 VanDerWaalsContact N-O 3.15Å; Y898-Q965 HydrophobicContact CE2-CB 3.97Å; Y898-Q965 PolarHBondContact OH-OE1 2.9Å; Y898-V1015 HydrophobicContact CD1-CG1 4.41Å; Y898-V1015 HydrophobicContact CE1-CB 4.31Å; Y898-V1015 HydrophobicContact CE1-CG1 3.61Å; Y898-L1023 HydrophobicContact CD1-CD2 4.38Å; Y898-L1023 HydrophobicContact CG-CD2 4.29Å |
| 899 | D | 79.8 | Confident | 81.6 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 158.9 | 179.5 | -82.4 | -25.5 | 0 | 0 | 0 | 113.4 | K897 F903 K904 R906 | K897-D899 IonicContact NZ-OD1 2.78Å; K897-D899 PolarHBondContact NZ-OD1 3.35Å; D899-F903 WeakPolarHBondContact O-CA 2.88Å; D899-F903 WeakPolarHBondContact O-CD1 3.41Å; D899-F903 PolarHBondContact O-N 3.31Å; D899-F903 VanDerWaalsContact O-N 3.14Å; D899-K904 PolarHBondContact N-O 2.81Å; D899-K904 VanDerWaalsContact N-O 3.09Å; D899-R906 WeakPolarHBondContact OD2-CG 3.24Å; D899-R906 IonicContact OD2-NE 3.53Å |
| 900 | R | 70.5 | Confident | 81.9 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -41.3 | -170.5 | -65.2 | 169.9 | -177.6 | -138.8 | -21.8 | 113.6 | G902 K959 G960 I997 | R900-G902 PolarHBondContact O-N 2.88Å; R900-K959 VanDerWaalsContact CZ-CB 3.46Å; R900-K959 VanDerWaalsContact NH1-CB 3.29Å; R900-K959 VanDerWaalsContact NH2-CB 3.25Å; R900-G960 PolarHBondContact NH2-O 3.38Å; R900-I997 HydrophobicContact CB-CG2 3.81Å; R900-I997 HydrophobicContact CG-CG2 4.02Å; R900-I997 PolarHBondContact NH1-O 2.85Å |
| 901 | N | 67.6 | Low | 82 | Confident | 154 Ų | 154 | 47.1 Ų | 47.1 | 82% | 0.824 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 91.4 | 179.4 | -67.6 | 0.1 | 0 | 0 | 0 | 107.5 | ||
| 902 | G | 69.3 | Low | 82 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 6.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R900 K904 | R900-G902 PolarHBondContact O-N 2.88Å; G902-K904 VanDerWaalsContact C-N 3.27Å; G902-K904 PolarHBondContact O-N 3.41Å; G902-K904 VanDerWaalsContact O-N 3.15Å |
| 903 | F | 76.9 | Confident | 82 | Confident | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | trans | 51 | 39.3 | 171.3 | -57.7 | -70.3 | 0 | 0 | 0 | 115.4 | Y898 D899 I963 I997 K1017 G1021 L1023 | Y898-F903 WeakPolarHBondContact CD1-O 3.46Å; D899-F903 WeakPolarHBondContact O-CA 2.88Å; D899-F903 WeakPolarHBondContact O-CD1 3.41Å; D899-F903 PolarHBondContact O-N 3.31Å; D899-F903 VanDerWaalsContact O-N 3.14Å; F903-I963 HydrophobicContact CD1-CD1 4.19Å; F903-I963 HydrophobicContact CE1-CD1 3.72Å; F903-I997 HydrophobicContact CZ-CD1 4.41Å; F903-K1017 HydrophobicContact CD2-CD 4.43Å; F903-K1017 HydrophobicContact CD2-CG 4.27Å; F903-G1021 WeakPolarHBondContact CE2-O 3.45Å; F903-L1023 HydrophobicContact CB-CD1 3.56Å; F903-L1023 HydrophobicContact CB-CG 4.45Å; F903-L1023 HydrophobicContact CD1-CB 4.1Å; F903-L1023 HydrophobicContact CD1-CD1 4.37Å; F903-L1023 HydrophobicContact CD1-CD2 4.03Å; F903-L1023 HydrophobicContact CD1-CG 4.4Å; F903-L1023 HydrophobicContact CD2-CB 4.09Å; F903-L1023 HydrophobicContact CD2-CD1 4.36Å; F903-L1023 HydrophobicContact CE1-CB 4.24Å; F903-L1023 HydrophobicContact CE2-CB 4.23Å; F903-L1023 HydrophobicContact CG-CB 4.03Å; F903-L1023 HydrophobicContact CG-CD1 3.87Å; F903-L1023 HydrophobicContact CG-CD2 4.37Å; F903-L1023 HydrophobicContact CG-CG 4.32Å; F903-L1023 HydrophobicContact CZ-CB 4.3Å | ||
| 904 | K | 78.6 | Confident | 81.7 | Confident | 135 Ų | 135 | 53.1 Ų | 53.1 | 59% | 0.587 | 27% | 0.272 | S | S | * | . | trans | -73 | 133 | 173.5 | -66.7 | -172.5 | 179.2 | -176.1 | 0 | 110 | D899 G902 | D899-K904 PolarHBondContact N-O 2.81Å; D899-K904 VanDerWaalsContact N-O 3.09Å; G902-K904 VanDerWaalsContact C-N 3.27Å; G902-K904 PolarHBondContact O-N 3.41Å; G902-K904 VanDerWaalsContact O-N 3.15Å | ||
| 905 | P | 82.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134 | 178.2 | 27.7 | -32.9 | 0 | 0 | 0 | 110.6 | I896 Y898 | I896-P905 HydrophobicContact CG2-CB 3.6Å; Y898-P905 HydrophobicContact CD1-CB 4.26Å; Y898-P905 HydrophobicContact CE1-CB 3.81Å |
| 906 | R | 84.3 | Confident | 81.3 | Confident | 110 Ų | 110 | 52.5 Ų | 52.5 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.7 | 176.6 | -63.1 | -63.8 | -171.2 | 178.9 | 0.5 | 109.9 | K897 D899 R908 | K897-R906 PolarHBondContact N-O 3.48Å; K897-R906 PolarHBondContact O-N 3.04Å; D899-R906 WeakPolarHBondContact OD2-CG 3.24Å; D899-R906 IonicContact OD2-NE 3.53Å; R906-R908 PolarHBondContact O-N 3.31Å |
| 907 | P | 83.1 | Confident | 81.2 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 65% | 0.649 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.7 | 176.1 | 28 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 908 | R | 87.4 | Confident | 81.1 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.1 | -178.7 | -62.6 | -66.6 | 176.6 | -114.6 | 12.8 | 109.6 | V895 K897 R906 L919 V920 E921 | V895-R908 CarbonylContact C-O 3.57Å; V895-R908 HydrophobicContact CG2-CB 4.13Å; V895-R908 PolarHBondContact N-O 3.17Å; V895-R908 CarbonylContact O-C 3.51Å; V895-R908 PolarHBondContact O-N 3.1Å; K897-R908 HydrophobicContact CB-CB 4.41Å; K897-R908 HydrophobicContact CB-CG 3.74Å; R906-R908 PolarHBondContact O-N 3.31Å; R908-L919 HydrophobicContact CB-CD1 4.1Å; R908-L919 HydrophobicContact CB-CD2 4.4Å; R908-L919 HydrophobicContact CB-CG 4.01Å; R908-L919 HydrophobicContact CG-CD2 4.02Å; R908-L919 HydrophobicContact CG-CG 4.18Å; R908-V920 WeakPolarHBondContact CA-O 3.4Å; R908-V920 WeakPolarHBondContact CD-O 3.3Å; R908-E921 IonicContact CZ-OE1 3.78Å; R908-E921 IonicContact CZ-OE2 3.85Å; R908-E921 VanDerWaalsContact NH1-CG 3.27Å; R908-E921 IonicContact NH1-OE1 2.96Å; R908-E921 PolarHBondContact NH1-OE1 3.44Å; R908-E921 IonicContact NH1-OE2 2.77Å; R908-E921 IonicContact NH2-OE1 3.41Å; R908-E921 PolarHBondContact NH2-OE1 3.47Å; R908-E921 IonicContact NH2-OE2 3.54Å; R908-E921 PolarHBondContact NH2-OE2 2.99Å |
| 909 | Q | 85.7 | Confident | 81.2 | Confident | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.4 | 168.3 | -65.3 | 178 | -18.2 | 0 | 0 | 108.8 | I871 V920 | I871-Q909 HydrophobicContact CD1-CB 4.23Å; I871-Q909 HydrophobicContact CD1-CG 3.88Å; Q909-V920 HydrophobicContact CB-CB 4.35Å; Q909-V920 PolarHBondContact N-O 3.21Å; Q909-V920 PolarHBondContact O-N 3.1Å |
| 910 | L | 86.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.2 | 175.1 | -169.7 | 76.3 | 0 | 0 | 0 | 109.4 | S892 V893 V895 L912 A917 H918 L919 I964 F972 | S892-L910 WeakPolarHBondContact CA-O 3.12Å; V893-L910 HydrophobicContact CG1-CB 4.27Å; V893-L910 PolarHBondContact N-O 3.38Å; V893-L910 PolarHBondContact O-N 3.41Å; V895-L910 HydrophobicContact CG1-CB 3.89Å; V895-L910 HydrophobicContact CG1-CD2 4.41Å; V895-L910 HydrophobicContact CG2-CB 3.86Å; L910-L912 HydrophobicContact CD2-CD2 4.48Å; L910-A917 HydrophobicContact CD1-CB 4.48Å; L910-H918 WeakPolarHBondContact CA-O 3.36Å; L910-L919 HydrophobicContact CD1-CD1 3.76Å; L910-I964 HydrophobicContact CD1-CD1 4.34Å; L910-I964 HydrophobicContact CD2-CD1 4.45Å; L910-F972 HydrophobicContact CD2-CE1 4.42Å; L910-F972 HydrophobicContact CD2-CE2 3.42Å; L910-F972 VanDerWaalsContact CD2-CE2 3.42Å; L910-F972 HydrophobicContact CD2-CZ 3.37Å |
| 911 | I | 85.7 | Confident | 82 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.1 | -177.9 | -56.3 | 169.1 | 0 | 0 | 0 | 108.6 | I876 V880 I884 I889 A917 H918 V920 | I876-I911 HydrophobicContact CD1-CD1 3.82Å; I876-I911 HydrophobicContact CD1-CG1 4.17Å; I876-I911 HydrophobicContact CG1-CD1 4.32Å; I876-I911 HydrophobicContact CG2-CD1 3.77Å; V880-I911 HydrophobicContact CG1-CD1 4.32Å; I884-I911 HydrophobicContact CD1-CD1 4.5Å; I889-I911 HydrophobicContact CB-CG2 4.42Å; I889-I911 HydrophobicContact CD1-CG2 4.01Å; I889-I911 HydrophobicContact CG1-CG2 3.83Å; I889-I911 HydrophobicContact CG2-CG2 3.85Å; I911-A917 WeakPolarHBondContact O-CA 3.45Å; I911-H918 PolarHBondContact N-O 3.18Å; I911-H918 PolarHBondContact O-N 3.41Å; I911-V920 HydrophobicContact CD1-CG2 3.95Å |
| 912 | L | 84.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.3 | 174 | -58.2 | -171.4 | 0 | 0 | 0 | 109.9 | K890 Y891 L910 A917 F972 L976 I979 | K890-L912 PolarHBondContact N-O 3.46Å; Y891-L912 HydrophobicContact CD1-CD1 4.1Å; Y891-L912 PolarHBondContact N-O 3.16Å; Y891-L912 WeakPolarHBondContact O-CA 3.32Å; Y891-L912 WeakPolarHBondContact O-CB 3.28Å; Y891-L912 PolarHBondContact O-N 3.2Å; L910-L912 HydrophobicContact CD2-CD2 4.48Å; L912-A917 HydrophobicContact CD2-CB 3.62Å; L912-F972 HydrophobicContact CD1-CD2 4.08Å; L912-F972 HydrophobicContact CD1-CE2 3.74Å; L912-F972 HydrophobicContact CD2-CE2 4.11Å; L912-F972 HydrophobicContact CG-CE2 4.13Å; L912-L976 HydrophobicContact CD1-CB 3.88Å; L912-L976 HydrophobicContact CD1-CD1 4.16Å; L912-L976 HydrophobicContact CD1-CG 4.25Å; L912-L976 HydrophobicContact CD2-CD1 4.02Å; L912-I979 HydrophobicContact CD1-CD1 4.44Å |
| 913 | T | 84.9 | Confident | 83 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -179 | 168.5 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | I884 E887 Q888 T915 A916 Y931 I979 | I884-T913 HydrophobicContact CG2-CG2 3.74Å; E887-T913 HydrophobicContact CB-CG2 3.75Å; E887-T913 PolarHBondContact OE2-OG1 3.32Å; Q888-T913 WeakPolarHBondContact O-CA 3.37Å; T913-T915 PolarHBondContact O-N 3.27Å; T913-T915 PolarHBondContact OG1-N 3.35Å; T913-T915 PolarHBondContact OG1-OG1 3.18Å; T913-A916 PolarHBondContact N-O 2.99Å; T913-A916 PolarHBondContact OG1-N 3.14Å; T913-A916 VanDerWaalsContact OG1-N 3.09Å; T913-A916 PolarHBondContact OG1-O 3.09Å; T913-Y931 VanDerWaalsContact O-CE2 3.22Å; T913-Y931 WeakPolarHBondContact O-CE2 3.42Å; T913-Y931 PolarHBondContact O-OH 3.24Å; T913-I979 WeakPolarHBondContact O-CG2 3.47Å |
| 914 | K | 80.8 | Confident | 83 | Confident | 127 Ų | 127 | 52.9 Ų | 52.9 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -63.8 | -24.4 | 172.7 | -68.8 | -175.3 | -178.5 | 177.2 | 0 | 113.5 | K890 Y931 | K890-K914 VanDerWaalsContact CE-CE 3.43Å; K890-K914 HydrophobicContact CG-CG 4.17Å; K914-Y931 WeakPolarHBondContact O-CE2 3.49Å |
| 915 | T | 80.6 | Confident | 83.1 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -112.6 | -32.6 | -167.8 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | E887 T913 Y931 | E887-T915 PolarHBondContact OE1-OG1 3.45Å; E887-T915 PolarHBondContact OE2-OG1 3.28Å; T913-T915 PolarHBondContact O-N 3.27Å; T913-T915 PolarHBondContact OG1-N 3.35Å; T913-T915 PolarHBondContact OG1-OG1 3.18Å; T915-Y931 VanDerWaalsContact C-CD2 3.49Å; T915-Y931 WeakPolarHBondContact O-CD2 3.48Å; T915-Y931 PolarHBondContact O-N 3.25Å |
| 916 | A | 83.3 | Confident | 83 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T913 R928 V929 | T913-A916 PolarHBondContact N-O 2.99Å; T913-A916 PolarHBondContact OG1-N 3.14Å; T913-A916 VanDerWaalsContact OG1-N 3.09Å; T913-A916 PolarHBondContact OG1-O 3.09Å; A916-R928 HydrophobicContact CB-CG 4.05Å; A916-V929 CarbonylContact C-O 3.44Å; A916-V929 WeakPolarHBondContact CA-O 3.5Å; A916-V929 WeakPolarHBondContact CB-O 3.23Å |
| 917 | A | 84.4 | Confident | 82.9 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | L910 I911 L912 V929 Y931 | L910-A917 HydrophobicContact CD1-CB 4.48Å; I911-A917 WeakPolarHBondContact O-CA 3.45Å; L912-A917 HydrophobicContact CD2-CB 3.62Å; A917-V929 HydrophobicContact CB-CB 4.49Å; A917-V929 PolarHBondContact N-O 2.94Å; A917-V929 PolarHBondContact O-N 2.85Å; A917-Y931 HydrophobicContact CB-CE1 4.16Å |
| 918 | H | 84.1 | Confident | 82.9 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.3 | -179.1 | -60.3 | -86.8 | 0 | 0 | 0 | 110.9 | I884 E887 L910 I911 V920 | I884-H918 HydrophobicContact CD1-CB 4.02Å; E887-H918 IonicContact OE2-CD2 2.8Å; E887-H918 IonicContact OE2-CE1 2.75Å; E887-H918 IonicContact OE2-NE2 3.7Å; E887-H918 PolarHBondContact OE2-NE2 3.12Å; L910-H918 WeakPolarHBondContact CA-O 3.36Å; I911-H918 PolarHBondContact N-O 3.18Å; I911-H918 PolarHBondContact O-N 3.41Å; H918-V920 HydrophobicContact CB-CG2 4.49Å |
| 919 | L | 84.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118 | 175.3 | -161.3 | 92 | 0 | 0 | 0 | 109.9 | V895 K897 R908 L910 K926 R927 L962 I964 | V895-L919 HydrophobicContact CG2-CD1 4.14Å; K897-L919 HydrophobicContact CB-CD2 4.27Å; K897-L919 HydrophobicContact CD-CD2 3.96Å; K897-L919 HydrophobicContact CG-CD2 3.88Å; R908-L919 HydrophobicContact CB-CD1 4.1Å; R908-L919 HydrophobicContact CB-CD2 4.4Å; R908-L919 HydrophobicContact CB-CG 4.01Å; R908-L919 HydrophobicContact CG-CD2 4.02Å; R908-L919 HydrophobicContact CG-CG 4.18Å; L910-L919 HydrophobicContact CD1-CD1 3.76Å; L919-K926 PolarHBondContact O-N 3.08Å; L919-R927 HydrophobicContact CB-CB 4.16Å; L919-R927 PolarHBondContact N-O 3.37Å; L919-R927 PolarHBondContact O-N 3.28Å; L919-L962 HydrophobicContact CD1-CD2 4.49Å; L919-L962 HydrophobicContact CD2-CD1 4.44Å; L919-I964 HydrophobicContact CD1-CD1 4.06Å |
| 920 | V | 83.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136 | -167.3 | -177.9 | 0 | 0 | 0 | 0 | 111 | V880 R908 Q909 I911 H918 I925 | V880-V920 HydrophobicContact CB-CG1 4.32Å; V880-V920 HydrophobicContact CG1-CG1 3.96Å; V880-V920 HydrophobicContact CG1-CG2 3.76Å; V880-V920 HydrophobicContact CG2-CG1 3.62Å; R908-V920 WeakPolarHBondContact CA-O 3.4Å; R908-V920 WeakPolarHBondContact CD-O 3.3Å; Q909-V920 HydrophobicContact CB-CB 4.35Å; Q909-V920 PolarHBondContact N-O 3.21Å; Q909-V920 PolarHBondContact O-N 3.1Å; I911-V920 HydrophobicContact CD1-CG2 3.95Å; H918-V920 HydrophobicContact CB-CG2 4.49Å; V920-I925 HydrophobicContact CG2-CG1 4.43Å |
| 921 | E | 82.9 | Confident | 82.2 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.5 | 165.5 | 177.9 | 173.3 | -129.7 | 0 | 0 | 108.2 | R908 A923 K924 K926 | R908-E921 IonicContact CZ-OE1 3.78Å; R908-E921 IonicContact CZ-OE2 3.85Å; R908-E921 VanDerWaalsContact NH1-CG 3.27Å; R908-E921 IonicContact NH1-OE1 2.96Å; R908-E921 PolarHBondContact NH1-OE1 3.44Å; R908-E921 IonicContact NH1-OE2 2.77Å; R908-E921 IonicContact NH2-OE1 3.41Å; R908-E921 PolarHBondContact NH2-OE1 3.47Å; R908-E921 IonicContact NH2-OE2 3.54Å; R908-E921 PolarHBondContact NH2-OE2 2.99Å; E921-A923 PolarHBondContact O-N 3.37Å; E921-A923 VanDerWaalsContact O-N 3.09Å; E921-K924 PolarHBondContact N-O 2.87Å; E921-K924 PolarHBondContact O-N 2.76Å; E921-K926 HydrophobicContact CB-CG 3.86Å; E921-K926 WeakPolarHBondContact OE2-CE 3.3Å; E921-K926 IonicContact OE2-NZ 3.94Å; E921-K926 PolarHBondContact OE2-NZ 3.25Å |
| 922 | E | 79.6 | Confident | 81.9 | Confident | 163 Ų | 163 | 53.2 Ų | 53.2 | 76% | 0.762 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | -112.9 | -178.2 | -60.6 | -179.1 | 170.3 | 0 | 0 | 112.2 | N877 | N877-E922 VanDerWaalsContact CB-O 3.3Å; N877-E922 WeakPolarHBondContact CB-O 3.46Å |
| 923 | A | 78.2 | Confident | 81.5 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R879 E921 | R879-A923 HydrophobicContact CB-CB 4.48Å; E921-A923 PolarHBondContact O-N 3.37Å; E921-A923 VanDerWaalsContact O-N 3.09Å |
| 924 | K | 78.8 | Confident | 81.2 | Confident | 146 Ų | 146 | 55 Ų | 55 | 64% | 0.635 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.9 | -173.9 | -66.5 | -177.8 | -178.6 | 177.5 | 0 | 112.8 | E921 K926 | E921-K924 PolarHBondContact N-O 2.87Å; E921-K924 PolarHBondContact O-N 2.76Å; K924-K926 PolarHBondContact O-N 3.21Å |
| 925 | I | 80.3 | Confident | 81.1 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.8 | 169.8 | -57.8 | 172.9 | 0 | 0 | 0 | 108.3 | V880 M883 I884 V920 | V880-I925 HydrophobicContact CG1-CD1 4.43Å; V880-I925 HydrophobicContact CG1-CG1 4.06Å; M883-I925 HydrophobicContact CB-CD1 3.98Å; M883-I925 HydrophobicContact SD-CD1 4.18Å; I884-I925 HydrophobicContact CD1-CD1 3.85Å; I884-I925 HydrophobicContact CG1-CD1 3.8Å; V920-I925 HydrophobicContact CG2-CG1 4.43Å |
| 926 | K | 80.1 | Confident | 81.1 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -31.1 | -179.3 | -70.2 | -64.2 | -173.1 | 162.7 | 0 | 113.1 | L919 E921 K924 | L919-K926 PolarHBondContact O-N 3.08Å; E921-K926 HydrophobicContact CB-CG 3.86Å; E921-K926 WeakPolarHBondContact OE2-CE 3.3Å; E921-K926 IonicContact OE2-NZ 3.94Å; E921-K926 PolarHBondContact OE2-NZ 3.25Å; K924-K926 PolarHBondContact O-N 3.21Å |
| 927 | R | 81.9 | Confident | 81.2 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 129.6 | -178.9 | -167.2 | 176.3 | -176.9 | 168.2 | 4.7 | 110.1 | L919 V929 K959 G960 | L919-R927 HydrophobicContact CB-CB 4.16Å; L919-R927 PolarHBondContact N-O 3.37Å; L919-R927 PolarHBondContact O-N 3.28Å; R927-V929 HydrophobicContact CG-CG2 4.03Å; R927-K959 PolarHBondContact NH2-O 3.39Å; R927-G960 PolarHBondContact NH1-O 3.43Å; R927-G960 PolarHBondContact NH2-O 3.2Å |
| 928 | R | 83.6 | Confident | 81.2 | Confident | 154 Ų | 154 | 54.8 Ų | 54.8 | 58% | 0.581 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128 | 165.5 | 179.9 | 176 | -175 | -140.7 | 7.2 | 107.9 | E887 A916 | E887-R928 IonicContact OE1-CZ 3.66Å; E887-R928 IonicContact OE1-NH2 3.71Å; E887-R928 PolarHBondContact OE1-NH2 2.83Å; A916-R928 HydrophobicContact CB-CG 4.05Å |
| 929 | V | 81.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 108.4 | 176.8 | -177 | 0 | 0 | 0 | 0 | 107.3 | A916 A917 R927 I951 L962 | A916-V929 CarbonylContact C-O 3.44Å; A916-V929 WeakPolarHBondContact CA-O 3.5Å; A916-V929 WeakPolarHBondContact CB-O 3.23Å; A917-V929 HydrophobicContact CB-CB 4.49Å; A917-V929 PolarHBondContact N-O 2.94Å; A917-V929 PolarHBondContact O-N 2.85Å; R927-V929 HydrophobicContact CG-CG2 4.03Å; V929-I951 HydrophobicContact CB-CD1 4.43Å; V929-I951 HydrophobicContact CG1-CD1 3.72Å; V929-I951 HydrophobicContact CG1-CG1 4.03Å; V929-I951 HydrophobicContact CG2-CD1 3.77Å; V929-L962 HydrophobicContact CG2-CD2 4.42Å |
| 930 | S | 81.9 | Confident | 81.3 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 143.9 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | S932 S933 | S930-S932 PolarHBondContact O-N 3.44Å; S930-S932 PolarHBondContact OG-OG 3Å; S930-S933 PolarHBondContact N-OG 3.28Å; S930-S933 PolarHBondContact O-N 3.42Å; S930-S933 PolarHBondContact O-OG 3.08Å |
| 931 | Y | 81.3 | Confident | 81.3 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -64.1 | -20.6 | 178.6 | -58.8 | -45.2 | 0 | 0 | 0 | 113.3 | T913 K914 T915 A917 L934 I979 A980 K982 | T913-Y931 VanDerWaalsContact O-CE2 3.22Å; T913-Y931 WeakPolarHBondContact O-CE2 3.42Å; T913-Y931 PolarHBondContact O-OH 3.24Å; K914-Y931 WeakPolarHBondContact O-CE2 3.49Å; T915-Y931 VanDerWaalsContact C-CD2 3.49Å; T915-Y931 WeakPolarHBondContact O-CD2 3.48Å; T915-Y931 PolarHBondContact O-N 3.25Å; A917-Y931 HydrophobicContact CB-CE1 4.16Å; Y931-L934 PolarHBondContact O-N 2.72Å; Y931-I979 HydrophobicContact CE2-CG2 3.91Å; Y931-A980 HydrophobicContact CD1-CB 4.03Å; Y931-A980 HydrophobicContact CD2-CB 4.39Å; Y931-A980 HydrophobicContact CE1-CB 4.46Å; Y931-A980 HydrophobicContact CG-CB 4.01Å; Y931-K982 PolarHBondContact O-NZ 3.43Å |
| 932 | S | 78.7 | Confident | 81.3 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65.3 | -39.2 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S930 L934 | S930-S932 PolarHBondContact O-N 3.44Å; S930-S932 PolarHBondContact OG-OG 3Å; S932-L934 PolarHBondContact O-N 3.46Å |
| 933 | S | 76.4 | Confident | 81.2 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -76.1 | -3.2 | 179 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | S930 K935 I951 T952 | S930-S933 PolarHBondContact N-OG 3.28Å; S930-S933 PolarHBondContact O-N 3.42Å; S930-S933 PolarHBondContact O-OG 3.08Å; S933-K935 PolarHBondContact O-N 3.29Å; S933-I951 WeakPolarHBondContact O-CA 3.44Å; S933-T952 PolarHBondContact O-N 3.17Å; S933-T952 VanDerWaalsContact O-N 3.13Å; S933-T952 PolarHBondContact O-OG1 3.34Å |
| 934 | L | 79.2 | Confident | 81.3 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.7 | -177.3 | -170.2 | 134.5 | 0 | 0 | 0 | 110.7 | Y931 S932 I937 I949 K982 | Y931-L934 PolarHBondContact O-N 2.72Å; S932-L934 PolarHBondContact O-N 3.46Å; L934-I937 HydrophobicContact CD1-CD1 4.26Å; L934-I937 HydrophobicContact CD1-CG1 4.3Å; L934-I937 HydrophobicContact CD2-CD1 4.36Å; L934-I937 HydrophobicContact CD2-CG1 4.19Å; L934-I949 HydrophobicContact CD1-CG2 3.54Å; L934-I949 HydrophobicContact CG-CG2 4.18Å; L934-K982 HydrophobicContact CD2-CD 4.35Å; L934-K982 PolarHBondContact O-NZ 2.89Å |
| 935 | K | 78.4 | Confident | 81.5 | Confident | 173 Ų | 173 | 40.8 Ų | 40.8 | 75% | 0.752 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -37.2 | 179.5 | -174.6 | 177.7 | -179.4 | 178.5 | 0 | 112.1 | S933 H950 | S933-K935 PolarHBondContact O-N 3.29Å; K935-H950 HydrophobicContact CB-CB 4.33Å; K935-H950 PolarHBondContact N-O 2.85Å |
| 936 | G | 80.2 | Confident | 81.6 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | 166.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H950 | G936-H950 PolarHBondContact O-N 3.42Å |
| 937 | I | 84.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.7 | 175.4 | -60.9 | 173.1 | 0 | 0 | 0 | 108 | L934 I947 V948 I949 L973 L976 A985 I986 K987 | L934-I937 HydrophobicContact CD1-CD1 4.26Å; L934-I937 HydrophobicContact CD1-CG1 4.3Å; L934-I937 HydrophobicContact CD2-CD1 4.36Å; L934-I937 HydrophobicContact CD2-CG1 4.19Å; I937-I947 HydrophobicContact CG2-CG2 3.47Å; I937-I947 VanDerWaalsContact CG2-CG2 3.47Å; I937-V948 WeakPolarHBondContact CA-O 2.91Å; I937-I949 HydrophobicContact CG1-CG1 4.39Å; I937-I949 HydrophobicContact CG1-CG2 4.5Å; I937-L973 HydrophobicContact CD1-CD2 4.29Å; I937-L973 HydrophobicContact CG2-CD2 3.9Å; I937-L976 HydrophobicContact CD1-CD1 4.26Å; I937-L976 HydrophobicContact CD1-CD2 3.37Å; I937-L976 HydrophobicContact CD1-CG 4.46Å; I937-A985 PolarHBondContact N-O 3.14Å; I937-I986 HydrophobicContact CB-CG1 4.43Å; I937-I986 CarbonylContact O-C 3.56Å; I937-I986 WeakPolarHBondContact O-CA 3.31Å; I937-K987 PolarHBondContact O-N 3.48Å |
| 938 | S | 86.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 32 Ų | 32 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.6 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | V948 H950 K987 | S938-V948 PolarHBondContact N-O 3.48Å; S938-V948 PolarHBondContact O-N 3.37Å; S938-H950 PolarHBondContact OG-CD2 3.39Å; S938-H950 PolarHBondContact OG-NE2 3.35Å; S938-K987 WeakPolarHBondContact CA-O 3.18Å |
| 939 | V | 85.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.5 | 172.2 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | I947 L969 L973 K987 V988 V989 | V939-I947 HydrophobicContact CG1-CB 4.43Å; V939-I947 HydrophobicContact CG1-CG1 4.07Å; V939-I947 HydrophobicContact CG1-CG2 4.3Å; V939-L969 HydrophobicContact CG1-CD1 4.22Å; V939-L973 HydrophobicContact CG1-CD1 3.87Å; V939-K987 PolarHBondContact N-O 3.47Å; V939-V988 HydrophobicContact CG2-CB 4.4Å; V939-V988 HydrophobicContact CG2-CG1 4.5Å; V939-V988 HydrophobicContact CG2-CG2 3.86Å; V939-V988 CarbonylContact O-C 3.42Å; V939-V988 VanDerWaalsContact O-CA 3.29Å; V939-V988 WeakPolarHBondContact O-CA 3.44Å; V939-V989 PolarHBondContact O-N 3.32Å |
| 940 | S | 85.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 162.4 | 174 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | K855 L942 D944 V989 | K855-S940 PolarHBondContact NZ-O 3.26Å; K855-S940 PolarHBondContact NZ-OG 3.48Å; S940-L942 VanDerWaalsContact C-N 3.28Å; S940-L942 PolarHBondContact OG-N 2.85Å; S940-D944 WeakPolarHBondContact CB-OD2 3.39Å; S940-D944 PolarHBondContact OG-OD1 3.4Å; S940-D944 PolarHBondContact OG-OD2 3.2Å; S940-V989 CarbonylContact C-O 3.52Å; S940-V989 WeakPolarHBondContact CA-O 3.36Å |
| 941 | N | 83 | Confident | 82.1 | Confident | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -75.9 | -13.6 | 166.2 | 68.2 | -45.5 | 0 | 0 | 0 | 113.9 | E856 V988 V989 Q990 | E856-N941 PolarHBondContact N-O 3.31Å; E856-N941 VanDerWaalsContact N-O 3.12Å; N941-V988 HydrophobicContact CB-CG1 3.96Å; N941-V989 PolarHBondContact N-O 3.25Å; N941-V989 VanDerWaalsContact N-O 3.14Å; N941-Q990 HydrophobicContact CB-CG 4.14Å |
| 942 | L | 82.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 27.4 Ų | 27.4 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -80.5 | 174.7 | -176.7 | -57.3 | -178.3 | 0 | 0 | 0 | 112.2 | K855 S940 D944 F1007 T1009 A1027 | K855-L942 VanDerWaalsContact CE-O 3.28Å; K855-L942 WeakPolarHBondContact CE-O 3.36Å; K855-L942 PolarHBondContact NZ-O 2.9Å; S940-L942 VanDerWaalsContact C-N 3.28Å; S940-L942 PolarHBondContact OG-N 2.85Å; L942-D944 PolarHBondContact O-N 3.46Å; L942-D944 VanDerWaalsContact O-N 3.16Å; L942-F1007 HydrophobicContact CD1-CB 4.08Å; L942-T1009 HydrophobicContact CD1-CG2 3.99Å; L942-T1009 HydrophobicContact CD2-CG2 3.85Å; L942-A1027 HydrophobicContact CB-CB 3.76Å; L942-A1027 HydrophobicContact CD1-CB 4.01Å |
| 943 | S | 78.9 | Confident | 81 | Confident | 30 Ų | 30 | 24.3 Ų | 24.3 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -71.9 | 3.9 | -178.3 | 57 | 0 | 0 | 0 | 0 | 115 | T1028 | S943-T1028 PolarHBondContact OG-O 3.48Š|
| 944 | D | 79.9 | Confident | 80.2 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | trans | -76.7 | 161.1 | 180 | 69.6 | 84.5 | 0 | 0 | 0 | 114 | K855 S940 L942 I946 V1025 A1027 | K855-D944 WeakPolarHBondContact CE-O 3.49Å; K855-D944 PolarHBondContact NZ-O 2.8Å; S940-D944 WeakPolarHBondContact CB-OD2 3.39Å; S940-D944 PolarHBondContact OG-OD1 3.4Å; S940-D944 PolarHBondContact OG-OD2 3.2Å; L942-D944 PolarHBondContact O-N 3.46Å; L942-D944 VanDerWaalsContact O-N 3.16Å; D944-I946 WeakPolarHBondContact OD1-CB 3.47Å; D944-I946 PolarHBondContact OD1-N 3.43Å; D944-V1025 HydrophobicContact CB-CG1 3.94Å; D944-A1027 HydrophobicContact CB-CB 4.23Å | ||
| 945 | G | 81.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | trans | -99.3 | 16.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q965 C966 | G945-Q965 CarbonylContact O-C 3.59Å; G945-Q965 VanDerWaalsContact O-CA 3.27Å; G945-Q965 WeakPolarHBondContact O-CA 3.43Å; G945-C966 PolarHBondContact O-N 2.92Å | ||
| 946 | I | 83.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135 | -176.3 | -60.9 | -97.1 | 0 | 0 | 0 | 109.9 | Y898 D944 I963 I964 Q965 F1007 V1015 V1025 | Y898-I946 HydrophobicContact CD2-CD1 4.49Å; Y898-I946 HydrophobicContact CE2-CD1 3.87Å; D944-I946 WeakPolarHBondContact OD1-CB 3.47Å; D944-I946 PolarHBondContact OD1-N 3.43Å; I946-I963 HydrophobicContact CG2-CG2 4.24Å; I946-I964 CarbonylContact C-O 3.56Å; I946-Q965 HydrophobicContact CD1-CB 4.17Å; I946-F1007 HydrophobicContact CB-CE1 3.99Å; I946-F1007 HydrophobicContact CB-CZ 4.29Å; I946-F1007 HydrophobicContact CG1-CE1 4.48Å; I946-F1007 HydrophobicContact CG2-CE1 4.18Å; I946-F1007 HydrophobicContact CG2-CZ 3.98Å; I946-V1015 HydrophobicContact CD1-CG2 4.4Å; I946-V1025 HydrophobicContact CD1-CG2 3.9Å; I946-V1025 HydrophobicContact CG1-CG1 3.96Å; I946-V1025 HydrophobicContact CG1-CG2 3.86Å |
| 947 | I | 86.6 | Confident | 77 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.8 | -178.4 | -53.5 | 178 | 0 | 0 | 0 | 107.8 | I937 V939 I949 I964 C966 L969 F972 L973 | I937-I947 HydrophobicContact CG2-CG2 3.47Å; I937-I947 VanDerWaalsContact CG2-CG2 3.47Å; V939-I947 HydrophobicContact CG1-CB 4.43Å; V939-I947 HydrophobicContact CG1-CG1 4.07Å; V939-I947 HydrophobicContact CG1-CG2 4.3Å; I947-I949 HydrophobicContact CG2-CG1 4.18Å; I947-I964 WeakPolarHBondContact CA-O 3.36Å; I947-I964 PolarHBondContact N-O 3.3Å; I947-I964 PolarHBondContact O-N 3.09Å; I947-I964 VanDerWaalsContact O-O 3.11Å; I947-C966 HydrophobicContact CD1-CB 3.98Å; I947-L969 HydrophobicContact CD1-CD1 4.2Å; I947-L969 HydrophobicContact CD1-CG 4.24Å; I947-L969 HydrophobicContact CG1-CD1 3.93Å; I947-L969 HydrophobicContact CG1-CG 4.49Å; I947-F972 HydrophobicContact CD1-CD1 3.7Å; I947-F972 HydrophobicContact CD1-CE1 3.78Å; I947-L973 HydrophobicContact CD1-CD2 4.35Å; I947-L973 HydrophobicContact CD1-CG 4.44Å; I947-L973 HydrophobicContact CG2-CD2 4.45Å |
| 948 | V | 84.4 | Confident | 76 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.9 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | I937 S938 H950 I993 L995 V1005 | I937-V948 WeakPolarHBondContact CA-O 2.91Å; S938-V948 PolarHBondContact N-O 3.48Å; S938-V948 PolarHBondContact O-N 3.37Å; V948-H950 VanDerWaalsContact CG1-CE1 3.49Å; V948-H950 WeakPolarHBondContact CG1-CE1 3.37Å; V948-I993 HydrophobicContact CB-CG2 4.05Å; V948-I993 HydrophobicContact CG1-CG2 4.08Å; V948-I993 HydrophobicContact CG2-CB 4.5Å; V948-I993 HydrophobicContact CG2-CD1 4.22Å; V948-I993 HydrophobicContact CG2-CG2 3.97Å; V948-L995 HydrophobicContact CB-CD2 4.37Å; V948-L995 HydrophobicContact CG1-CD2 3.34Å; V948-L995 HydrophobicContact CG2-CD2 4.07Å; V948-V1005 HydrophobicContact CG2-CG2 4.29Å |
| 949 | I | 85 | Confident | 74.9 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115 | 176.3 | -54.7 | 177.9 | 0 | 0 | 0 | 107.9 | L934 I937 I947 I951 L962 I964 | L934-I949 HydrophobicContact CD1-CG2 3.54Å; L934-I949 HydrophobicContact CG-CG2 4.18Å; I937-I949 HydrophobicContact CG1-CG1 4.39Å; I937-I949 HydrophobicContact CG1-CG2 4.5Å; I947-I949 HydrophobicContact CG2-CG1 4.18Å; I949-I951 HydrophobicContact CG2-CD1 4.32Å; I949-I951 HydrophobicContact CG2-CG1 4.06Å; I949-L962 HydrophobicContact CB-CB 4.32Å; I949-L962 PolarHBondContact N-O 3.34Å; I949-L962 PolarHBondContact O-N 3.01Å; I949-I964 HydrophobicContact CD1-CD1 4.06Å |
| 950 | H | 82.1 | Confident | 74.4 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.5 | 179.8 | -60.3 | -69.7 | 0 | 0 | 0 | 111 | K935 G936 S938 V948 D961 K994 | K935-H950 HydrophobicContact CB-CB 4.33Å; K935-H950 PolarHBondContact N-O 2.85Å; G936-H950 PolarHBondContact O-N 3.42Å; S938-H950 PolarHBondContact OG-CD2 3.39Å; S938-H950 PolarHBondContact OG-NE2 3.35Å; V948-H950 VanDerWaalsContact CG1-CE1 3.49Å; V948-H950 WeakPolarHBondContact CG1-CE1 3.37Å; H950-D961 VanDerWaalsContact CA-OD1 3.24Å; H950-D961 WeakPolarHBondContact CA-OD1 3.47Å; H950-D961 IonicContact CE1-OD2 2.87Å; H950-D961 IonicContact CG-OD2 3.6Å; H950-D961 IonicContact ND1-OD1 3.91Å; H950-D961 IonicContact ND1-OD2 3.96Å; H950-D961 PolarHBondContact ND1-OD2 3.3Å; H950-K994 PolarHBondContact CE1-O 3.44Å |
| 951 | I | 81.2 | Confident | 74.2 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.2 | -170.7 | -59.1 | 166.6 | 0 | 0 | 0 | 110 | V929 S933 I949 D961 L962 | V929-I951 HydrophobicContact CB-CD1 4.43Å; V929-I951 HydrophobicContact CG1-CD1 3.72Å; V929-I951 HydrophobicContact CG1-CG1 4.03Å; V929-I951 HydrophobicContact CG2-CD1 3.77Å; S933-I951 WeakPolarHBondContact O-CA 3.44Å; I949-I951 HydrophobicContact CG2-CD1 4.32Å; I949-I951 HydrophobicContact CG2-CG1 4.06Å; I951-D961 PolarHBondContact N-OD1 2.83Å; I951-L962 HydrophobicContact CD1-CB 4.1Å |
| 952 | T | 72.2 | Confident | 74.2 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -68.8 | 129.4 | 176.8 | -7.2 | 0 | 0 | 0 | 0 | 111.1 | S933 | S933-T952 PolarHBondContact O-N 3.17Å; S933-T952 VanDerWaalsContact O-N 3.13Å; S933-T952 PolarHBondContact O-OG1 3.34Å | ||
| 953 | C | 63.9 | Low | 74.3 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | trans | -112.7 | 115 | 174.2 | -77.7 | 0 | 0 | 0 | 0 | 110.3 | G960 | C953-G960 VanDerWaalsContact SG-CA 3.57Š| ||
| 954 | E | 60.4 | Low | 74.8 | Confident | 175 Ų | 175 | 49.1 Ų | 49.1 | 82% | 0.818 | 25% | 0.251 | S | S | * | . | trans | -96.1 | -16.9 | 178.1 | -66.5 | 176.4 | 179 | 0 | 0 | 112.4 | ||||
| 955 | D | 58.2 | Low | 75.1 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.4 | 137.8 | 179.7 | -77.8 | -45.9 | 0 | 0 | 0 | 112.9 | K957 Q958 | D955-K957 PolarHBondContact O-N 3.22Å; D955-K957 VanDerWaalsContact O-N 3.12Å; D955-Q958 HydrophobicContact CB-CB 4.28Å; D955-Q958 HydrophobicContact CB-CG 3.94Å; D955-Q958 WeakPolarHBondContact O-CB 3.42Å; D955-Q958 PolarHBondContact O-N 2.88Å; D955-Q958 PolarHBondContact OD2-NE2 3.5Å |
| 956 | P | 56.1 | Low | 75.3 | Confident | 102 Ų | 102 | 50 Ų | 50 | 66% | 0.662 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.1 | -179.1 | 24.2 | -31.9 | 0 | 0 | 0 | 114.1 | ||
| 957 | K | 56.5 | Low | 75.2 | Confident | 203 Ų | 203 | 56.5 Ų | 56.5 | 88% | 0.883 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -12.2 | 173 | -71.6 | -178.1 | 179.7 | 175.4 | 0 | 113.4 | D955 | D955-K957 PolarHBondContact O-N 3.22Å; D955-K957 VanDerWaalsContact O-N 3.12Å |
| 958 | Q | 62.3 | Low | 75.1 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.3 | 155 | -179 | -82.4 | -175.7 | 23.4 | 0 | 0 | 112.8 | D955 | D955-Q958 HydrophobicContact CB-CB 4.28Å; D955-Q958 HydrophobicContact CB-CG 3.94Å; D955-Q958 WeakPolarHBondContact O-CB 3.42Å; D955-Q958 PolarHBondContact O-N 2.88Å; D955-Q958 PolarHBondContact OD2-NE2 3.5Å |
| 959 | K | 64 | Low | 75.1 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | trans | -85.1 | 120.2 | -174.8 | -79.7 | -173.8 | -175 | 170.3 | 0 | 109.2 | R900 R927 | R900-K959 VanDerWaalsContact CZ-CB 3.46Å; R900-K959 VanDerWaalsContact NH1-CB 3.29Å; R900-K959 VanDerWaalsContact NH2-CB 3.25Å; R927-K959 PolarHBondContact NH2-O 3.39Å | ||
| 960 | G | 74.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -62.8 | -155.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | R900 R927 C953 E996 I997 | R900-G960 PolarHBondContact NH2-O 3.38Å; R927-G960 PolarHBondContact NH1-O 3.43Å; R927-G960 PolarHBondContact NH2-O 3.2Å; C953-G960 VanDerWaalsContact SG-CA 3.57Å; G960-E996 CarbonylContact C-O 3.52Å; G960-E996 WeakPolarHBondContact CA-O 3.14Å; G960-I997 PolarHBondContact N-O 3.35Å | ||
| 961 | D | 81.9 | Confident | 75.3 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | trans | -52.3 | 157.9 | -170.7 | -73 | -12.9 | 0 | 0 | 0 | 115.1 | H950 I951 L995 E996 | H950-D961 VanDerWaalsContact CA-OD1 3.24Å; H950-D961 WeakPolarHBondContact CA-OD1 3.47Å; H950-D961 IonicContact CE1-OD2 2.87Å; H950-D961 IonicContact CG-OD2 3.6Å; H950-D961 IonicContact ND1-OD1 3.91Å; H950-D961 IonicContact ND1-OD2 3.96Å; H950-D961 PolarHBondContact ND1-OD2 3.3Å; I951-D961 PolarHBondContact N-OD1 2.83Å; D961-L995 HydrophobicContact CB-CD2 4.36Å; D961-E996 PolarHBondContact N-O 3.04Å; D961-E996 PolarHBondContact OD2-N 3.46Å | ||
| 962 | L | 82.1 | Confident | 75.4 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.2 | -176.2 | -171.4 | 63.1 | 0 | 0 | 0 | 111.5 | K897 L919 V929 I949 I951 I964 | K897-L962 HydrophobicContact CG-CD1 3.9Å; L919-L962 HydrophobicContact CD1-CD2 4.49Å; L919-L962 HydrophobicContact CD2-CD1 4.44Å; V929-L962 HydrophobicContact CG2-CD2 4.42Å; I949-L962 HydrophobicContact CB-CB 4.32Å; I949-L962 PolarHBondContact N-O 3.34Å; I949-L962 PolarHBondContact O-N 3.01Å; I951-L962 HydrophobicContact CD1-CB 4.1Å; L962-I964 HydrophobicContact CD2-CD1 3.66Å; L962-I964 HydrophobicContact CD2-CG1 4.17Å; L962-I964 HydrophobicContact CG-CD1 3.88Å; L962-I964 HydrophobicContact CG-CG1 3.8Å |
| 963 | I | 85.3 | Confident | 76.1 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.2 | 178.7 | -50.3 | 165.1 | 0 | 0 | 0 | 108.7 | Y898 F903 I946 L995 V1005 L1023 | Y898-I963 HydrophobicContact CD2-CG2 4.18Å; Y898-I963 PolarHBondContact N-O 3.32Å; Y898-I963 VanDerWaalsContact N-O 3.15Å; F903-I963 HydrophobicContact CD1-CD1 4.19Å; F903-I963 HydrophobicContact CE1-CD1 3.72Å; I946-I963 HydrophobicContact CG2-CG2 4.24Å; I963-L995 HydrophobicContact CD1-CD1 3.42Å; I963-L995 VanDerWaalsContact CD1-CD1 3.42Å; I963-L995 HydrophobicContact CD1-CD2 4Å; I963-L995 HydrophobicContact CD1-CG 4.35Å; I963-L995 HydrophobicContact CG1-CD1 4.17Å; I963-L995 HydrophobicContact CG1-CD2 3.76Å; I963-V1005 HydrophobicContact CD1-CG2 4.23Å; I963-L1023 HydrophobicContact CG2-CD2 4.27Å |
| 964 | I | 88.4 | Confident | 77 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.5 | -175.6 | -53.4 | -174 | 0 | 0 | 0 | 109.5 | V895 I896 L910 L919 I946 I947 I949 L962 | V895-I964 HydrophobicContact CB-CG2 3.32Å; V895-I964 HydrophobicContact CG1-CG2 3.79Å; V895-I964 HydrophobicContact CG2-CG2 3.64Å; I896-I964 CarbonylContact O-C 3.54Å; I896-I964 WeakPolarHBondContact O-CA 3.42Å; L910-I964 HydrophobicContact CD1-CD1 4.34Å; L910-I964 HydrophobicContact CD2-CD1 4.45Å; L919-I964 HydrophobicContact CD1-CD1 4.06Å; I946-I964 CarbonylContact C-O 3.56Å; I947-I964 WeakPolarHBondContact CA-O 3.36Å; I947-I964 PolarHBondContact N-O 3.3Å; I947-I964 PolarHBondContact O-N 3.09Å; I947-I964 VanDerWaalsContact O-O 3.11Å; I949-I964 HydrophobicContact CD1-CD1 4.06Å; L962-I964 HydrophobicContact CD2-CD1 3.66Å; L962-I964 HydrophobicContact CD2-CG1 4.17Å; L962-I964 HydrophobicContact CG-CD1 3.88Å; L962-I964 HydrophobicContact CG-CG1 3.8Å |
| 965 | Q | 86.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134 | 165.8 | 179 | 178.3 | -7.7 | 0 | 0 | 110.4 | V895 I896 Y898 G945 I946 | V895-Q965 WeakPolarHBondContact CA-O 3.29Å; I896-Q965 HydrophobicContact CB-CB 4.36Å; I896-Q965 PolarHBondContact N-O 3.28Å; I896-Q965 PolarHBondContact O-N 3.25Å; Y898-Q965 HydrophobicContact CE2-CB 3.97Å; Y898-Q965 PolarHBondContact OH-OE1 2.9Å; G945-Q965 CarbonylContact O-C 3.59Å; G945-Q965 VanDerWaalsContact O-CA 3.27Å; G945-Q965 WeakPolarHBondContact O-CA 3.43Å; I946-Q965 HydrophobicContact CD1-CB 4.17Å |
| 966 | C | 86.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -139.9 | 127.4 | -178.5 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | V895 G945 I947 H968 | V895-C966 HydrophobicContact CG1-CB 4.22Å; G945-C966 PolarHBondContact O-N 2.92Å; I947-C966 HydrophobicContact CD1-CB 3.98Å; C966-H968 VanDerWaalsContact C-N 3.34Å | ||
| 967 | D | 82.1 | Confident | 80.6 | Confident | 140 Ų | 140 | 37.7 Ų | 37.7 | 75% | 0.749 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -25.7 | -179.2 | -59.5 | -28.3 | 0 | 0 | 0 | 112.6 | L969 | D967-L969 PolarHBondContact O-N 2.66Š|
| 968 | H | 84.5 | Confident | 81.8 | Confident | 61 Ų | 61 | 31.7 Ų | 31.7 | 28% | 0.282 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 44.2 | 179 | -61.1 | -49.7 | 0 | 0 | 0 | 112.5 | R870 V893 C966 Y970 E971 F972 | R870-H968 PolarHBondContact NH1-CE1 3.38Å; V893-H968 HydrophobicContact CG2-CB 4.47Å; C966-H968 VanDerWaalsContact C-N 3.34Å; H968-Y970 PolarHBondContact O-N 2.9Å; H968-E971 PolarHBondContact O-N 3.5Å; H968-F972 VanDerWaalsContact O-CB 3.28Å; H968-F972 WeakPolarHBondContact O-CB 3.3Å; H968-F972 PolarHBondContact O-N 2.87Å |
| 969 | L | 84 | Confident | 82.8 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.1 | -49.5 | -171.7 | -178.4 | 145.6 | 0 | 0 | 0 | 114 | F851 K855 V939 I947 D967 L973 | F851-L969 HydrophobicContact CE1-CD2 4.2Å; F851-L969 HydrophobicContact CZ-CD2 4.31Å; K855-L969 HydrophobicContact CD-CD2 4.26Å; V939-L969 HydrophobicContact CG1-CD1 4.22Å; I947-L969 HydrophobicContact CD1-CD1 4.2Å; I947-L969 HydrophobicContact CD1-CG 4.24Å; I947-L969 HydrophobicContact CG1-CD1 3.93Å; I947-L969 HydrophobicContact CG1-CG 4.49Å; D967-L969 PolarHBondContact O-N 2.66Å; L969-L973 HydrophobicContact CD1-CD1 4.5Å; L969-L973 HydrophobicContact CD2-CD1 3.65Å; L969-L973 HydrophobicContact CG-CD1 3.75Å; L969-L973 HydrophobicContact CG-CG 4.43Å; L969-L973 VanDerWaalsContact O-CB 3.29Å; L969-L973 WeakPolarHBondContact O-CB 3.44Å; L969-L973 VanDerWaalsContact O-CG 3.26Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 2.86Å |
| 970 | Y | 85.5 | Confident | 83.4 | Confident | 25 Ų | 25 | 24.2 Ų | 24.2 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | -175.2 | -59 | -63.4 | 0 | 0 | 0 | 113.2 | F851 K855 S857 Y858 H968 T974 | F851-Y970 HydrophobicContact CB-CD1 4.23Å; F851-Y970 HydrophobicContact CB-CE1 3.99Å; F851-Y970 AromaticContact CD1-CD1 3.92Å; F851-Y970 HydrophobicContact CD1-CD1 3.92Å; F851-Y970 AromaticContact CD1-CE1 3.66Å; F851-Y970 HydrophobicContact CD1-CE1 3.66Å; F851-Y970 AromaticContact CD2-CD1 3.59Å; F851-Y970 HydrophobicContact CD2-CD1 3.59Å; F851-Y970 HydrophobicContact CD2-CE1 4.11Å; F851-Y970 HydrophobicContact CE1-CD1 4.14Å; F851-Y970 HydrophobicContact CE1-CE1 4.13Å; F851-Y970 AromaticContact CE2-CD1 3.82Å; F851-Y970 HydrophobicContact CE2-CD1 3.82Å; F851-Y970 AromaticContact CG-CD1 3.63Å; F851-Y970 HydrophobicContact CG-CD1 3.63Å; F851-Y970 AromaticContact CG-CE1 3.64Å; F851-Y970 HydrophobicContact CG-CE1 3.64Å; F851-Y970 HydrophobicContact CZ-CD1 4.09Å; K855-Y970 HydrophobicContact CD-CE1 4.07Å; S857-Y970 WeakPolarHBondContact CA-OH 3.47Å; S857-Y970 WeakPolarHBondContact CB-OH 3.39Å; S857-Y970 PolarHBondContact O-OH 3.44Å; S857-Y970 PolarHBondContact OG-OH 3.48Å; Y858-Y970 WeakPolarHBondContact CA-OH 3.17Å; Y858-Y970 HydrophobicContact CD2-CD1 4.1Å; Y858-Y970 HydrophobicContact CD2-CE1 4.06Å; Y858-Y970 HydrophobicContact CD2-CG 4.4Å; Y858-Y970 PolarHBondContact N-OH 3.25Å; H968-Y970 PolarHBondContact O-N 2.9Å; Y970-T974 VanDerWaalsContact O-CB 3.28Å; Y970-T974 WeakPolarHBondContact O-CB 3.38Å; Y970-T974 PolarHBondContact O-N 3.48Å; Y970-T974 PolarHBondContact O-OG1 3.46Å |
| 971 | E | 85.3 | Confident | 83.6 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -49.2 | 176.9 | -175.9 | -176.4 | 106.3 | 0 | 0 | 110 | F866 L867 R870 Y891 H968 T974 K975 | F866-E971 HydrophobicContact CB-CG 4.39Å; F866-E971 HydrophobicContact CD1-CB 4.17Å; F866-E971 HydrophobicContact CD1-CG 4.27Å; F866-E971 HydrophobicContact CE1-CB 4.33Å; F866-E971 HydrophobicContact CG-CG 4.3Å; L867-E971 PolarHBondContact N-OE2 2.89Å; L867-E971 VanDerWaalsContact N-OE2 3.12Å; R870-E971 WeakPolarHBondContact CG-OE1 3.27Å; R870-E971 IonicContact CZ-OE1 3.73Å; R870-E971 IonicContact CZ-OE2 3.82Å; R870-E971 IonicContact NE-OE1 3.5Å; R870-E971 PolarHBondContact NE-OE1 3.12Å; R870-E971 IonicContact NE-OE2 2.69Å; R870-E971 PolarHBondContact NE-OE2 2.9Å; R870-E971 IonicContact NH2-OE1 2.87Å; R870-E971 IonicContact NH2-OE2 3.95Å; R870-E971 PolarHBondContact NH2-OE2 3.41Å; Y891-E971 HydrophobicContact CE2-CG 4.38Å; Y891-E971 VanDerWaalsContact CE2-OE1 3.27Å; Y891-E971 WeakPolarHBondContact CE2-OE1 3.44Å; Y891-E971 PolarHBondContact OH-OE1 2.8Å; H968-E971 PolarHBondContact O-N 3.5Å; E971-T974 PolarHBondContact O-N 3.35Å; E971-K975 HydrophobicContact CG-CD 4.38Å; E971-K975 WeakPolarHBondContact O-CB 3.34Å; E971-K975 WeakPolarHBondContact O-CG 3.44Å; E971-K975 PolarHBondContact O-N 2.87Å |
| 972 | F | 84.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -50.2 | 178.8 | 167.8 | -113.3 | 0 | 0 | 0 | 112.2 | Y891 V893 L910 L912 I947 H968 K975 L976 | Y891-F972 AromaticContact CD1-CD2 3.99Å; Y891-F972 HydrophobicContact CD1-CD2 3.99Å; Y891-F972 HydrophobicContact CE1-CB 3.97Å; Y891-F972 AromaticContact CE1-CD2 3.81Å; Y891-F972 HydrophobicContact CE1-CD2 3.81Å; Y891-F972 HydrophobicContact CE1-CG 4.39Å; V893-F972 HydrophobicContact CG1-CD2 3.91Å; V893-F972 HydrophobicContact CG1-CE2 4.31Å; V893-F972 HydrophobicContact CG1-CG 4.47Å; L910-F972 HydrophobicContact CD2-CE1 4.42Å; L910-F972 HydrophobicContact CD2-CE2 3.42Å; L910-F972 VanDerWaalsContact CD2-CE2 3.42Å; L910-F972 HydrophobicContact CD2-CZ 3.37Å; L912-F972 HydrophobicContact CD1-CD2 4.08Å; L912-F972 HydrophobicContact CD1-CE2 3.74Å; L912-F972 HydrophobicContact CD2-CE2 4.11Å; L912-F972 HydrophobicContact CG-CE2 4.13Å; I947-F972 HydrophobicContact CD1-CD1 3.7Å; I947-F972 HydrophobicContact CD1-CE1 3.78Å; H968-F972 VanDerWaalsContact O-CB 3.28Å; H968-F972 WeakPolarHBondContact O-CB 3.3Å; H968-F972 PolarHBondContact O-N 2.87Å; F972-K975 PolarHBondContact O-N 3.33Å; F972-L976 HydrophobicContact CE1-CD1 4.29Å; F972-L976 HydrophobicContact CE2-CB 4.49Å; F972-L976 HydrophobicContact CE2-CD1 3.85Å; F972-L976 HydrophobicContact CZ-CD1 3.52Å; F972-L976 VanDerWaalsContact O-CB 3.26Å; F972-L976 WeakPolarHBondContact O-CB 3.37Å; F972-L976 PolarHBondContact O-N 3.35Å |
| 973 | L | 85.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | -177.7 | -70.8 | 177.5 | 0 | 0 | 0 | 112.6 | F851 I937 V939 I947 L969 K975 S977 I986 | F851-L973 HydrophobicContact CE1-CD1 4.28Å; F851-L973 HydrophobicContact CZ-CB 4.12Å; F851-L973 HydrophobicContact CZ-CD1 3.73Å; I937-L973 HydrophobicContact CD1-CD2 4.29Å; I937-L973 HydrophobicContact CG2-CD2 3.9Å; V939-L973 HydrophobicContact CG1-CD1 3.87Å; I947-L973 HydrophobicContact CD1-CD2 4.35Å; I947-L973 HydrophobicContact CD1-CG 4.44Å; I947-L973 HydrophobicContact CG2-CD2 4.45Å; L969-L973 HydrophobicContact CD1-CD1 4.5Å; L969-L973 HydrophobicContact CD2-CD1 3.65Å; L969-L973 HydrophobicContact CG-CD1 3.75Å; L969-L973 HydrophobicContact CG-CG 4.43Å; L969-L973 VanDerWaalsContact O-CB 3.29Å; L969-L973 WeakPolarHBondContact O-CB 3.44Å; L969-L973 VanDerWaalsContact O-CG 3.26Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 2.86Å; L973-K975 VanDerWaalsContact C-N 3.34Å; L973-S977 VanDerWaalsContact O-CB 3.27Å; L973-S977 WeakPolarHBondContact O-CB 3.49Å; L973-S977 PolarHBondContact O-N 3.47Å; L973-S977 PolarHBondContact O-OG 3.42Å; L973-I986 HydrophobicContact CB-CD1 4.03Å; L973-I986 HydrophobicContact CD1-CG2 4.48Å; L973-I986 HydrophobicContact CD2-CD1 4.49Å |
| 974 | T | 84.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | V846 T847 F866 Y970 E971 S977 I978 | V846-T974 HydrophobicContact CG1-CG2 4.41Å; T847-T974 WeakPolarHBondContact OG1-CG2 3.4Å; T847-T974 PolarHBondContact OG1-OG1 3.4Å; F866-T974 HydrophobicContact CE2-CG2 4.36Å; Y970-T974 VanDerWaalsContact O-CB 3.28Å; Y970-T974 WeakPolarHBondContact O-CB 3.38Å; Y970-T974 PolarHBondContact O-N 3.48Å; Y970-T974 PolarHBondContact O-OG1 3.46Å; E971-T974 PolarHBondContact O-N 3.35Å; T974-S977 PolarHBondContact O-OG 3.24Å; T974-I978 HydrophobicContact CG2-CD1 3.97Å; T974-I978 WeakPolarHBondContact O-CB 3.45Å; T974-I978 WeakPolarHBondContact O-CD1 3.27Å; T974-I978 WeakPolarHBondContact O-CG1 3.43Å; T974-I978 PolarHBondContact O-N 3.45Å; T974-I978 VanDerWaalsContact O-N 3.14Å |
| 975 | K | 85.1 | Confident | 81 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.1 | -43.1 | 177 | -74.3 | -173.8 | 174.2 | -149.1 | 0 | 112.6 | L867 D868 Y891 E971 F972 L973 S977 I978 I979 | L867-K975 VanDerWaalsContact O-CE 3.23Å; L867-K975 WeakPolarHBondContact O-CE 3.31Å; L867-K975 PolarHBondContact O-NZ 3.3Å; D868-K975 VanDerWaalsContact C-NZ 3.26Å; D868-K975 VanDerWaalsContact CA-NZ 3.3Å; D868-K975 PolarHBondContact O-NZ 3.39Å; Y891-K975 HydrophobicContact CD2-CD 3.45Å; Y891-K975 VanDerWaalsContact CD2-CD 3.45Å; Y891-K975 HydrophobicContact CE2-CD 3.77Å; Y891-K975 HydrophobicContact CG-CD 3.89Å; E971-K975 HydrophobicContact CG-CD 4.38Å; E971-K975 WeakPolarHBondContact O-CB 3.34Å; E971-K975 WeakPolarHBondContact O-CG 3.44Å; E971-K975 PolarHBondContact O-N 2.87Å; F972-K975 PolarHBondContact O-N 3.33Å; L973-K975 VanDerWaalsContact C-N 3.34Å; K975-S977 VanDerWaalsContact C-N 3.3Å; K975-S977 PolarHBondContact O-N 3.28Å; K975-I978 PolarHBondContact O-N 3.27Å; K975-I979 HydrophobicContact CB-CD1 4.49Å; K975-I979 WeakPolarHBondContact O-CB 3.44Å; K975-I979 WeakPolarHBondContact O-CD1 3.33Å; K975-I979 WeakPolarHBondContact O-CG1 3.36Å; K975-I979 PolarHBondContact O-N 3.46Å |
| 976 | L | 82.3 | Confident | 80.8 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.2 | -173.7 | 149.5 | 0 | 0 | 0 | 110.7 | L912 I937 F972 I978 I979 A980 | L912-L976 HydrophobicContact CD1-CB 3.88Å; L912-L976 HydrophobicContact CD1-CD1 4.16Å; L912-L976 HydrophobicContact CD1-CG 4.25Å; L912-L976 HydrophobicContact CD2-CD1 4.02Å; I937-L976 HydrophobicContact CD1-CD1 4.26Å; I937-L976 HydrophobicContact CD1-CD2 3.37Å; I937-L976 HydrophobicContact CD1-CG 4.46Å; F972-L976 HydrophobicContact CE1-CD1 4.29Å; F972-L976 HydrophobicContact CE2-CB 4.49Å; F972-L976 HydrophobicContact CE2-CD1 3.85Å; F972-L976 HydrophobicContact CZ-CD1 3.52Å; F972-L976 VanDerWaalsContact O-CB 3.26Å; F972-L976 WeakPolarHBondContact O-CB 3.37Å; F972-L976 PolarHBondContact O-N 3.35Å; L976-I978 PolarHBondContact O-N 3.45Å; L976-I979 PolarHBondContact O-N 3.33Å; L976-A980 HydrophobicContact CD2-CB 4.41Å; L976-A980 WeakPolarHBondContact O-CB 3.31Å; L976-A980 PolarHBondContact O-N 2.95Å |
| 977 | S | 82.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | L973 T974 K975 N981 K982 | L973-S977 VanDerWaalsContact O-CB 3.27Å; L973-S977 WeakPolarHBondContact O-CB 3.49Å; L973-S977 PolarHBondContact O-N 3.47Å; L973-S977 PolarHBondContact O-OG 3.42Å; T974-S977 PolarHBondContact O-OG 3.24Å; K975-S977 VanDerWaalsContact C-N 3.3Å; K975-S977 PolarHBondContact O-N 3.28Å; S977-N981 WeakPolarHBondContact O-CA 3.33Å; S977-N981 PolarHBondContact O-N 3.07Å; S977-N981 VanDerWaalsContact O-N 3.11Å; S977-K982 PolarHBondContact O-N 3.03Å; S977-K982 VanDerWaalsContact O-N 3.16Å |
| 978 | I | 81.5 | Confident | 80.5 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 173.8 | -67.4 | 166.9 | 0 | 0 | 0 | 110.9 | T974 K975 L976 N981 | T974-I978 HydrophobicContact CG2-CD1 3.97Å; T974-I978 WeakPolarHBondContact O-CB 3.45Å; T974-I978 WeakPolarHBondContact O-CD1 3.27Å; T974-I978 WeakPolarHBondContact O-CG1 3.43Å; T974-I978 PolarHBondContact O-N 3.45Å; T974-I978 VanDerWaalsContact O-N 3.14Å; K975-I978 PolarHBondContact O-N 3.27Å; L976-I978 PolarHBondContact O-N 3.45Å; I978-N981 PolarHBondContact O-N 3.4Å |
| 979 | I | 83.4 | Confident | 80.3 | Confident | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71 | -44.2 | -177.9 | -66.4 | 161.6 | 0 | 0 | 0 | 111.6 | K890 L912 T913 Y931 K975 L976 N981 | K890-I979 HydrophobicContact CB-CD1 3.57Å; K890-I979 HydrophobicContact CB-CG1 4.31Å; K890-I979 HydrophobicContact CG-CD1 4.39Å; L912-I979 HydrophobicContact CD1-CD1 4.44Å; T913-I979 WeakPolarHBondContact O-CG2 3.47Å; Y931-I979 HydrophobicContact CE2-CG2 3.91Å; K975-I979 HydrophobicContact CB-CD1 4.49Å; K975-I979 WeakPolarHBondContact O-CB 3.44Å; K975-I979 WeakPolarHBondContact O-CD1 3.33Å; K975-I979 WeakPolarHBondContact O-CG1 3.36Å; K975-I979 PolarHBondContact O-N 3.46Å; L976-I979 PolarHBondContact O-N 3.33Å; I979-N981 PolarHBondContact O-N 3.39Å |
| 980 | A | 76.4 | Confident | 79.9 | Confident | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y931 L976 K982 | Y931-A980 HydrophobicContact CD1-CB 4.03Å; Y931-A980 HydrophobicContact CD2-CB 4.39Å; Y931-A980 HydrophobicContact CE1-CB 4.46Å; Y931-A980 HydrophobicContact CG-CB 4.01Å; L976-A980 HydrophobicContact CD2-CB 4.41Å; L976-A980 WeakPolarHBondContact O-CB 3.31Å; L976-A980 PolarHBondContact O-N 2.95Å; A980-K982 WeakPolarHBondContact O-CG 3.42Å; A980-K982 PolarHBondContact O-N 2.69Å |
| 981 | N | 78.3 | Confident | 79.4 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 41.3 | -174.6 | -158.9 | 31.6 | 0 | 0 | 0 | 113.8 | S977 I978 I979 | S977-N981 WeakPolarHBondContact O-CA 3.33Å; S977-N981 PolarHBondContact O-N 3.07Å; S977-N981 VanDerWaalsContact O-N 3.11Å; I978-N981 PolarHBondContact O-N 3.4Å; I979-N981 PolarHBondContact O-N 3.39Å |
| 982 | K | 72.1 | Confident | 79.1 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | trans | -131.7 | 62.1 | -175.9 | -78.5 | -179.5 | 174.6 | -179.6 | 0 | 109.7 | Y931 L934 S977 A980 D984 A985 | Y931-K982 PolarHBondContact O-NZ 3.43Å; L934-K982 HydrophobicContact CD2-CD 4.35Å; L934-K982 PolarHBondContact O-NZ 2.89Å; S977-K982 PolarHBondContact O-N 3.03Å; S977-K982 VanDerWaalsContact O-N 3.16Å; A980-K982 WeakPolarHBondContact O-CG 3.42Å; A980-K982 PolarHBondContact O-N 2.69Å; K982-D984 VanDerWaalsContact C-N 3.31Å; K982-D984 PolarHBondContact O-N 3.43Å; K982-A985 HydrophobicContact CB-CB 3.9Å; K982-A985 WeakPolarHBondContact O-CB 3.4Å; K982-A985 PolarHBondContact O-N 3.24Å | ||
| 983 | Q | 68.1 | Low | 79 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -65.2 | -34 | -177.9 | -64.1 | -175.9 | 7.3 | 0 | 0 | 112.8 | A985 | Q983-A985 VanDerWaalsContact C-N 3.27Å; Q983-A985 PolarHBondContact O-N 3.2Å |
| 984 | D | 71.8 | Confident | 78.7 | Confident | 155 Ų | 155 | 61.8 Ų | 61.8 | 83% | 0.829 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -81.6 | -4.6 | -179 | -54.1 | -46.5 | 0 | 0 | 0 | 113.8 | K982 I986 | K982-D984 VanDerWaalsContact C-N 3.31Å; K982-D984 PolarHBondContact O-N 3.43Å; D984-I986 VanDerWaalsContact C-N 3.32Å; D984-I986 PolarHBondContact O-N 3.14Å |
| 985 | A | 71.6 | Confident | 78.4 | Confident | 19 Ų | 19 | 62 Ų | 62 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -82.5 | -7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I937 K982 Q983 | I937-A985 PolarHBondContact N-O 3.14Å; K982-A985 HydrophobicContact CB-CB 3.9Å; K982-A985 WeakPolarHBondContact O-CB 3.4Å; K982-A985 PolarHBondContact O-N 3.24Å; Q983-A985 VanDerWaalsContact C-N 3.27Å; Q983-A985 PolarHBondContact O-N 3.2Å |
| 986 | I | 81.4 | Confident | 77.9 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114 | 178.8 | -60.6 | 166.3 | 0 | 0 | 0 | 109.3 | I850 F851 I937 L973 D984 | I850-I986 HydrophobicContact CG2-CG2 4.44Å; F851-I986 HydrophobicContact CZ-CG2 4.48Å; I937-I986 HydrophobicContact CB-CG1 4.43Å; I937-I986 CarbonylContact O-C 3.56Å; I937-I986 WeakPolarHBondContact O-CA 3.31Å; L973-I986 HydrophobicContact CB-CD1 4.03Å; L973-I986 HydrophobicContact CD1-CG2 4.48Å; L973-I986 HydrophobicContact CD2-CD1 4.49Å; D984-I986 VanDerWaalsContact C-N 3.32Å; D984-I986 PolarHBondContact O-N 3.14Å |
| 987 | K | 80.8 | Confident | 77.3 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.4 | 178.3 | -66.4 | -174.6 | 178.6 | -178 | 0 | 110.6 | I937 S938 V939 V989 | I937-K987 PolarHBondContact O-N 3.48Å; S938-K987 WeakPolarHBondContact CA-O 3.18Å; V939-K987 PolarHBondContact N-O 3.47Å; K987-V989 HydrophobicContact CB-CG2 4.39Å |
| 988 | V | 81.7 | Confident | 76.5 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.7 | 170.5 | -173 | 0 | 0 | 0 | 0 | 107.6 | F851 K854 V939 N941 | F851-V988 HydrophobicContact CD1-CG2 4.5Å; K854-V988 HydrophobicContact CB-CG2 4.34Å; V939-V988 HydrophobicContact CG2-CB 4.4Å; V939-V988 HydrophobicContact CG2-CG1 4.5Å; V939-V988 HydrophobicContact CG2-CG2 3.86Å; V939-V988 CarbonylContact O-C 3.42Å; V939-V988 VanDerWaalsContact O-CA 3.29Å; V939-V988 WeakPolarHBondContact O-CA 3.44Å; N941-V988 HydrophobicContact CB-CG1 3.96Å |
| 989 | V | 79.9 | Confident | 75.5 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.4 | -172.9 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | V939 S940 N941 K987 I993 | V939-V989 PolarHBondContact O-N 3.32Å; S940-V989 CarbonylContact C-O 3.52Å; S940-V989 WeakPolarHBondContact CA-O 3.36Å; N941-V989 PolarHBondContact N-O 3.25Å; N941-V989 VanDerWaalsContact N-O 3.14Å; K987-V989 HydrophobicContact CB-CG2 4.39Å; V989-I993 HydrophobicContact CB-CG1 4.34Å; V989-I993 HydrophobicContact CG1-CG1 4.49Å |
| 990 | Q | 75.6 | Confident | 74.5 | Confident | 156 Ų | 156 | 71.6 Ų | 71.6 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -104.2 | 134.9 | 173.4 | -62.1 | -174.3 | -14.8 | 0 | 0 | 109.3 | N941 | N941-Q990 HydrophobicContact CB-CG 4.14Š|
| 991 | G | 75.4 | Confident | 73.9 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 86.9 | -131.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1007 | G991-F1007 WeakPolarHBondContact O-CD2 3.32Š|
| 992 | S | 78.7 | Confident | 73.6 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | trans | -96.5 | 144 | -171.9 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | V1005 D1006 | S992-V1005 CarbonylContact C-O 3.59Å; S992-V1005 VanDerWaalsContact CA-O 3.24Å; S992-V1005 WeakPolarHBondContact CA-O 3.49Å; S992-D1006 WeakPolarHBondContact CB-OD1 3.23Å | ||
| 993 | I | 82.7 | Confident | 73.9 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.8 | 174.9 | -59.6 | 174.4 | 0 | 0 | 0 | 108.5 | V948 V989 A1004 V1005 F1007 | V948-I993 HydrophobicContact CB-CG2 4.05Å; V948-I993 HydrophobicContact CG1-CG2 4.08Å; V948-I993 HydrophobicContact CG2-CB 4.5Å; V948-I993 HydrophobicContact CG2-CD1 4.22Å; V948-I993 HydrophobicContact CG2-CG2 3.97Å; V989-I993 HydrophobicContact CB-CG1 4.34Å; V989-I993 HydrophobicContact CG1-CG1 4.49Å; I993-A1004 CarbonylContact O-C 3.54Å; I993-A1004 VanDerWaalsContact O-CA 3.29Å; I993-A1004 WeakPolarHBondContact O-CA 3.33Å; I993-V1005 PolarHBondContact N-O 3.2Å; I993-V1005 PolarHBondContact O-N 2.88Å; I993-F1007 HydrophobicContact CB-CE2 4.23Å; I993-F1007 HydrophobicContact CD1-CE2 3.5Å; I993-F1007 HydrophobicContact CD1-CZ 3.78Å; I993-F1007 HydrophobicContact CG1-CD2 4.48Å; I993-F1007 HydrophobicContact CG1-CE2 3.69Å; I993-F1007 HydrophobicContact CG1-CZ 4.46Å |
| 994 | K | 79.8 | Confident | 74.5 | Confident | 154 Ų | 154 | 72 Ų | 72 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 143.6 | 175.5 | -63.2 | -172.9 | 179 | -171.7 | 0 | 111.2 | H950 | H950-K994 PolarHBondContact CE1-O 3.44Å |
| 995 | L | 77.4 | Confident | 75 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141 | -175.3 | -60.5 | 164.2 | 0 | 0 | 0 | 110.6 | V948 D961 I963 E1002 S1003 V1005 | V948-L995 HydrophobicContact CB-CD2 4.37Å; V948-L995 HydrophobicContact CG1-CD2 3.34Å; V948-L995 HydrophobicContact CG2-CD2 4.07Å; D961-L995 HydrophobicContact CB-CD2 4.36Å; I963-L995 HydrophobicContact CD1-CD1 3.42Å; I963-L995 VanDerWaalsContact CD1-CD1 3.42Å; I963-L995 HydrophobicContact CD1-CD2 4Å; I963-L995 HydrophobicContact CD1-CG 4.35Å; I963-L995 HydrophobicContact CG1-CD1 4.17Å; I963-L995 HydrophobicContact CG1-CD2 3.76Å; L995-E1002 CarbonylContact O-C 3.38Å; L995-E1002 VanDerWaalsContact O-CA 3.3Å; L995-E1002 WeakPolarHBondContact O-CA 3.33Å; L995-S1003 WeakPolarHBondContact CA-O 3.3Å; L995-S1003 VanDerWaalsContact CB-O 3.3Å; L995-S1003 WeakPolarHBondContact CB-O 3.26Å; L995-S1003 PolarHBondContact N-O 2.9Å; L995-S1003 PolarHBondContact O-N 3.48Å; L995-V1005 HydrophobicContact CD1-CG2 3.47Å; L995-V1005 VanDerWaalsContact CD1-CG2 3.47Å; L995-V1005 HydrophobicContact CD2-CG2 4.21Å; L995-V1005 HydrophobicContact CG-CG2 4.03Å |
| 996 | E | 74.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.4 | 167.8 | -164.5 | 175.3 | 179.8 | 0 | 0 | 110.1 | G960 D961 | G960-E996 CarbonylContact C-O 3.52Å; G960-E996 WeakPolarHBondContact CA-O 3.14Å; D961-E996 PolarHBondContact N-O 3.04Å; D961-E996 PolarHBondContact OD2-N 3.46Å |
| 997 | I | 69.9 | Low | 75.5 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -43.3 | -175 | -63.8 | -179.1 | 0 | 0 | 0 | 111.2 | R900 F903 G960 K1001 S1003 | R900-I997 HydrophobicContact CB-CG2 3.81Å; R900-I997 HydrophobicContact CG-CG2 4.02Å; R900-I997 PolarHBondContact NH1-O 2.85Å; F903-I997 HydrophobicContact CZ-CD1 4.41Å; G960-I997 PolarHBondContact N-O 3.35Å; I997-K1001 PolarHBondContact N-O 3.35Å; I997-S1003 VanDerWaalsContact CD1-CB 3.42Å |
| 998 | Q | 65.8 | Low | 75.5 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 159.3 | 174.6 | -84.1 | 177.6 | -24.7 | 0 | 0 | 107.5 | G1000 K1001 | Q998-G1000 PolarHBondContact O-N 2.88Å; Q998-K1001 PolarHBondContact O-N 2.98Å |
| 999 | S | 61 | Low | 75.3 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 111.6 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1000 | G | 60.7 | Low | 74.9 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 74% | 0.742 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -1.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q998 | Q998-G1000 PolarHBondContact O-N 2.88Š|
| 1001 | K | 64.7 | Low | 74.6 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 61% | 0.609 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 103.2 | 173.5 | -79.6 | -174.1 | 180 | 177 | 0 | 111.3 | I997 Q998 | I997-K1001 PolarHBondContact N-O 3.35Å; Q998-K1001 PolarHBondContact O-N 2.98Å |
| 1002 | E | 71.9 | Confident | 74.5 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 147 | 175.7 | -62.1 | -171 | 172.2 | 0 | 0 | 112.1 | L995 | L995-E1002 CarbonylContact O-C 3.38Å; L995-E1002 VanDerWaalsContact O-CA 3.3Å; L995-E1002 WeakPolarHBondContact O-CA 3.33Å |
| 1003 | S | 78.2 | Confident | 74.3 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 169.5 | 170 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | L995 I997 | L995-S1003 WeakPolarHBondContact CA-O 3.3Å; L995-S1003 VanDerWaalsContact CB-O 3.3Å; L995-S1003 WeakPolarHBondContact CB-O 3.26Å; L995-S1003 PolarHBondContact N-O 2.9Å; L995-S1003 PolarHBondContact O-N 3.48Å; I997-S1003 VanDerWaalsContact CD1-CB 3.42Å |
| 1004 | A | 80 | Confident | 74.1 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 158.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | I993 H1022 L1023 | I993-A1004 CarbonylContact O-C 3.54Å; I993-A1004 VanDerWaalsContact O-CA 3.29Å; I993-A1004 WeakPolarHBondContact O-CA 3.33Å; A1004-H1022 WeakPolarHBondContact O-CB 3.35Å; A1004-L1023 PolarHBondContact O-N 3.35Å |
| 1005 | V | 82.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.2 | 161.5 | -169.6 | 0 | 0 | 0 | 0 | 107.7 | V948 I963 S992 I993 L995 F1007 L1023 V1025 | V948-V1005 HydrophobicContact CG2-CG2 4.29Å; I963-V1005 HydrophobicContact CD1-CG2 4.23Å; S992-V1005 CarbonylContact C-O 3.59Å; S992-V1005 VanDerWaalsContact CA-O 3.24Å; S992-V1005 WeakPolarHBondContact CA-O 3.49Å; I993-V1005 PolarHBondContact N-O 3.2Å; I993-V1005 PolarHBondContact O-N 2.88Å; L995-V1005 HydrophobicContact CD1-CG2 3.47Å; L995-V1005 VanDerWaalsContact CD1-CG2 3.47Å; L995-V1005 HydrophobicContact CD2-CG2 4.21Å; L995-V1005 HydrophobicContact CG-CG2 4.03Å; V1005-F1007 HydrophobicContact CB-CE2 3.83Å; V1005-F1007 HydrophobicContact CB-CZ 4.21Å; V1005-F1007 HydrophobicContact CG1-CD2 4.26Å; V1005-F1007 HydrophobicContact CG1-CE1 4.27Å; V1005-F1007 HydrophobicContact CG1-CE2 3.59Å; V1005-F1007 HydrophobicContact CG1-CZ 3.6Å; V1005-F1007 WeakPolarHBondContact O-CD2 3.36Å; V1005-F1007 WeakPolarHBondContact O-CE2 3.48Å; V1005-L1023 CarbonylContact C-O 3.48Å; V1005-L1023 VanDerWaalsContact CA-O 3.32Å; V1005-L1023 WeakPolarHBondContact CA-O 3.32Å; V1005-L1023 HydrophobicContact CG1-CB 4.35Å; V1005-L1023 HydrophobicContact CG1-CD2 4.37Å; V1005-L1023 HydrophobicContact CG1-CG 4.41Å; V1005-L1023 HydrophobicContact CG2-CB 4.44Å; V1005-L1023 HydrophobicContact CG2-CD2 4.46Å; V1005-V1025 HydrophobicContact CG1-CG2 3.67Å |
| 1006 | D | 82.3 | Confident | 74.2 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.9 | -177.6 | -67.8 | -32 | 0 | 0 | 0 | 109 | S992 H1022 L1023 M1024 V1025 | S992-D1006 WeakPolarHBondContact CB-OD1 3.23Å; D1006-H1022 IonicContact OD1-ND1 2.75Å; D1006-H1022 IonicContact OD2-CG 2.74Å; D1006-H1022 IonicContact OD2-ND1 3.13Å; D1006-H1022 PolarHBondContact OD2-ND1 3.41Å; D1006-L1023 PolarHBondContact N-O 2.92Å; D1006-M1024 HydrophobicContact CB-CE 3.91Å; D1006-M1024 HydrophobicContact CB-SD 3.41Å; D1006-M1024 WeakPolarHBondContact CB-SD 3.42Å; D1006-M1024 WeakPolarHBondContact O-CA 3.35Å; D1006-V1025 PolarHBondContact O-N 3.18Å |
| 1007 | F | 83 | Confident | 74.5 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.3 | -175 | -64.3 | -97.8 | 0 | 0 | 0 | 111.1 | L942 I946 G991 I993 V1005 V1025 | L942-F1007 HydrophobicContact CD1-CB 4.08Å; I946-F1007 HydrophobicContact CB-CE1 3.99Å; I946-F1007 HydrophobicContact CB-CZ 4.29Å; I946-F1007 HydrophobicContact CG1-CE1 4.48Å; I946-F1007 HydrophobicContact CG2-CE1 4.18Å; I946-F1007 HydrophobicContact CG2-CZ 3.98Å; G991-F1007 WeakPolarHBondContact O-CD2 3.32Å; I993-F1007 HydrophobicContact CB-CE2 4.23Å; I993-F1007 HydrophobicContact CD1-CE2 3.5Å; I993-F1007 HydrophobicContact CD1-CZ 3.78Å; I993-F1007 HydrophobicContact CG1-CD2 4.48Å; I993-F1007 HydrophobicContact CG1-CE2 3.69Å; I993-F1007 HydrophobicContact CG1-CZ 4.46Å; V1005-F1007 HydrophobicContact CB-CE2 3.83Å; V1005-F1007 HydrophobicContact CB-CZ 4.21Å; V1005-F1007 HydrophobicContact CG1-CD2 4.26Å; V1005-F1007 HydrophobicContact CG1-CE1 4.27Å; V1005-F1007 HydrophobicContact CG1-CE2 3.59Å; V1005-F1007 HydrophobicContact CG1-CZ 3.6Å; V1005-F1007 WeakPolarHBondContact O-CD2 3.36Å; V1005-F1007 WeakPolarHBondContact O-CE2 3.48Å; F1007-V1025 WeakPolarHBondContact CA-O 3.45Å; F1007-V1025 HydrophobicContact CD1-CB 3.71Å; F1007-V1025 HydrophobicContact CD1-CG1 3.88Å; F1007-V1025 HydrophobicContact CD1-CG2 4.32Å; F1007-V1025 HydrophobicContact CE1-CB 3.94Å; F1007-V1025 HydrophobicContact CE1-CG1 4.03Å; F1007-V1025 HydrophobicContact CE1-CG2 4.06Å; F1007-V1025 HydrophobicContact CG-CB 4.44Å |
| 1008 | T | 79.8 | Confident | 74.8 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.3 | 177.3 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | M1024 V1025 V1026 A1027 | T1008-M1024 HydrophobicContact CG2-CE 3.67Å; T1008-V1025 PolarHBondContact N-O 3.34Å; T1008-V1026 CarbonylContact O-C 3.54Å; T1008-V1026 VanDerWaalsContact O-CA 3.3Å; T1008-V1026 WeakPolarHBondContact O-CA 3.37Å; T1008-A1027 PolarHBondContact O-N 3.36Å |
| 1009 | T | 77 | Confident | 75.1 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.9 | 177.6 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | L942 A1027 | L942-T1009 HydrophobicContact CD1-CG2 3.99Å; L942-T1009 HydrophobicContact CD2-CG2 3.85Å; T1009-A1027 CarbonylContact C-O 3.59Å; T1009-A1027 VanDerWaalsContact CA-O 3.3Å; T1009-A1027 WeakPolarHBondContact CA-O 3.21Å |
| 1010 | G | 72.8 | Confident | 75.7 | Confident | 26 Ų | 26 | 82 Ų | 82 | 27% | 0.268 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1026 A1027 | G1010-V1026 VanDerWaalsContact CA-CG1 3.45Å; G1010-V1026 VanDerWaalsContact N-CG1 3.32Å; G1010-A1027 PolarHBondContact N-O 3.21Å |
| 1011 | Q | 69.4 | Low | 76.1 | Confident | 198 Ų | 198 | 79.8 Ų | 79.8 | 93% | 0.925 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -76.4 | -34.8 | -179 | -71.7 | -174.9 | -9.7 | 0 | 0 | 113 | T1028 | Q1011-T1028 WeakPolarHBondContact O-CG2 3.35Š|
| 1012 | E | 71.4 | Confident | 76.9 | Confident | 131 Ų | 131 | 75.9 Ų | 75.9 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -120.6 | 146.2 | 175.8 | -69.7 | -173.6 | 167.6 | 0 | 0 | 110.6 | M1014 | E1012-M1014 HydrophobicContact CB-CE 4.15Å; E1012-M1014 PolarHBondContact O-N 3.35Å; E1012-M1014 WeakPolarHBondContact OE2-CE 3.21Å |
| 1013 | A | 75.8 | Confident | 77.4 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | trans | -77.9 | 115.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1026 T1028 | A1013-V1026 VanDerWaalsContact CA-O 3.27Å; A1013-V1026 WeakPolarHBondContact CA-O 3.3Å; A1013-T1028 HydrophobicContact CB-CG2 4.21Å | ||
| 1014 | M | 78.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 69 Ų | 69 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142 | -178.1 | -65.4 | -167.6 | 178 | 0 | 0 | 111.6 | E1012 Y1016 V1026 | E1012-M1014 HydrophobicContact CB-CE 4.15Å; E1012-M1014 PolarHBondContact O-N 3.35Å; E1012-M1014 WeakPolarHBondContact OE2-CE 3.21Å; M1014-Y1016 HydrophobicContact CB-CD1 4.38Å; M1014-V1026 PolarHBondContact N-O 2.91Å; M1014-V1026 PolarHBondContact O-N 3.09Å |
| 1015 | V | 80.5 | Confident | 77.6 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.3 | 174 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | Y898 I946 L1023 M1024 V1025 | Y898-V1015 HydrophobicContact CD1-CG1 4.41Å; Y898-V1015 HydrophobicContact CE1-CB 4.31Å; Y898-V1015 HydrophobicContact CE1-CG1 3.61Å; I946-V1015 HydrophobicContact CD1-CG2 4.4Å; V1015-L1023 HydrophobicContact CG1-CD1 3.6Å; V1015-L1023 HydrophobicContact CG1-CD2 4.28Å; V1015-L1023 HydrophobicContact CG1-CG 4.05Å; V1015-M1024 WeakPolarHBondContact CA-O 3.33Å; V1015-V1025 HydrophobicContact CG1-CG2 4.29Å; V1015-V1025 HydrophobicContact CG2-CG1 4.36Å; V1015-V1025 HydrophobicContact CG2-CG2 4.33Å |
| 1016 | Y | 78.8 | Confident | 77.5 | Confident | 119 Ų | 119 | 69.8 Ų | 69.8 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161.3 | -177.7 | 66.3 | -87.7 | 0 | 0 | 0 | 112 | M1014 M1024 V1026 | M1014-Y1016 HydrophobicContact CB-CD1 4.38Å; Y1016-M1024 HydrophobicContact CD1-CB 4.49Å; Y1016-M1024 HydrophobicContact CE1-CB 4.15Å; Y1016-M1024 HydrophobicContact CE2-CB 4.17Å; Y1016-M1024 HydrophobicContact CE2-CG 4.21Å; Y1016-M1024 PolarHBondContact N-O 3.41Å; Y1016-M1024 VanDerWaalsContact N-O 3.11Å; Y1016-M1024 PolarHBondContact O-N 3.34Å; Y1016-V1026 HydrophobicContact CE1-CG2 4.02Å |
| 1017 | K | 80.2 | Confident | 77.3 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.2 | 176.4 | -173.7 | -179.9 | -179.8 | -172.7 | 0 | 110 | F903 | F903-K1017 HydrophobicContact CD2-CD 4.43Å; F903-K1017 HydrophobicContact CD2-CG 4.27Å |
| 1018 | A | 77.3 | Confident | 76.8 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | trans | -76 | 163.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1020 G1021 H1022 M1024 | A1018-N1020 WeakPolarHBondContact CB-OD1 3.46Å; A1018-N1020 PolarHBondContact O-N 3.48Å; A1018-G1021 PolarHBondContact O-N 3.37Å; A1018-H1022 PolarHBondContact N-O 3.01Å; A1018-M1024 HydrophobicContact CB-CG 3.34Å; A1018-M1024 HydrophobicContact CB-SD 4.08Å | ||
| 1019 | K | 71.7 | Confident | 76 | Confident | 227 Ų | 227 | 77.7 Ų | 77.7 | 99% | 0.987 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.3 | 178.4 | -66.6 | -174.5 | 179.4 | -178.8 | 0 | 113 | G1021 | K1019-G1021 PolarHBondContact O-N 2.79Š|
| 1020 | N | 72.6 | Confident | 75.1 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -1.5 | 174.6 | 65.1 | -3.6 | 0 | 0 | 0 | 113.7 | A1018 H1022 | A1018-N1020 WeakPolarHBondContact CB-OD1 3.46Å; A1018-N1020 PolarHBondContact O-N 3.48Å; N1020-H1022 VanDerWaalsContact C-N 3.32Å; N1020-H1022 PolarHBondContact ND2-ND1 2.91Å; N1020-H1022 PolarHBondContact O-N 3.33Å; N1020-H1022 WeakPolarHBondContact OD1-CB 3.28Å; N1020-H1022 PolarHBondContact OD1-N 2.84Å |
| 1021 | G | 70.4 | Confident | 74 | Confident | 27 Ų | 27 | 86 Ų | 86 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 87.4 | -8.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F903 A1018 K1019 | F903-G1021 WeakPolarHBondContact CE2-O 3.45Å; A1018-G1021 PolarHBondContact O-N 3.37Å; K1019-G1021 PolarHBondContact O-N 2.79Å |
| 1022 | H | 81.3 | Confident | 72.7 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -80.2 | 163.9 | 178.7 | -62.5 | 179.3 | 0 | 0 | 0 | 112.6 | A1004 D1006 A1018 N1020 | A1004-H1022 WeakPolarHBondContact O-CB 3.35Å; D1006-H1022 IonicContact OD1-ND1 2.75Å; D1006-H1022 IonicContact OD2-CG 2.74Å; D1006-H1022 IonicContact OD2-ND1 3.13Å; D1006-H1022 PolarHBondContact OD2-ND1 3.41Å; A1018-H1022 PolarHBondContact N-O 3.01Å; N1020-H1022 VanDerWaalsContact C-N 3.32Å; N1020-H1022 PolarHBondContact ND2-ND1 2.91Å; N1020-H1022 PolarHBondContact O-N 3.33Å; N1020-H1022 WeakPolarHBondContact OD1-CB 3.28Å; N1020-H1022 PolarHBondContact OD1-N 2.84Å |
| 1023 | L | 81.4 | Confident | 70.9 | Confident | 1 Ų | 1 | 92.2 Ų | 92.2 | 1% | 0.005 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.1 | 172 | -174.5 | 61.1 | 0 | 0 | 0 | 109.5 | Y898 F903 I963 A1004 V1005 D1006 V1015 | Y898-L1023 HydrophobicContact CD1-CD2 4.38Å; Y898-L1023 HydrophobicContact CG-CD2 4.29Å; F903-L1023 HydrophobicContact CB-CD1 3.56Å; F903-L1023 HydrophobicContact CB-CG 4.45Å; F903-L1023 HydrophobicContact CD1-CB 4.1Å; F903-L1023 HydrophobicContact CD1-CD1 4.37Å; F903-L1023 HydrophobicContact CD1-CD2 4.03Å; F903-L1023 HydrophobicContact CD1-CG 4.4Å; F903-L1023 HydrophobicContact CD2-CB 4.09Å; F903-L1023 HydrophobicContact CD2-CD1 4.36Å; F903-L1023 HydrophobicContact CE1-CB 4.24Å; F903-L1023 HydrophobicContact CE2-CB 4.23Å; F903-L1023 HydrophobicContact CG-CB 4.03Å; F903-L1023 HydrophobicContact CG-CD1 3.87Å; F903-L1023 HydrophobicContact CG-CD2 4.37Å; F903-L1023 HydrophobicContact CG-CG 4.32Å; F903-L1023 HydrophobicContact CZ-CB 4.3Å; I963-L1023 HydrophobicContact CG2-CD2 4.27Å; A1004-L1023 PolarHBondContact O-N 3.35Å; V1005-L1023 CarbonylContact C-O 3.48Å; V1005-L1023 VanDerWaalsContact CA-O 3.32Å; V1005-L1023 WeakPolarHBondContact CA-O 3.32Å; V1005-L1023 HydrophobicContact CG1-CB 4.35Å; V1005-L1023 HydrophobicContact CG1-CD2 4.37Å; V1005-L1023 HydrophobicContact CG1-CG 4.41Å; V1005-L1023 HydrophobicContact CG2-CB 4.44Å; V1005-L1023 HydrophobicContact CG2-CD2 4.46Å; D1006-L1023 PolarHBondContact N-O 2.92Å; V1015-L1023 HydrophobicContact CG1-CD1 3.6Å; V1015-L1023 HydrophobicContact CG1-CD2 4.28Å; V1015-L1023 HydrophobicContact CG1-CG 4.05Å |
| 1024 | M | 80.9 | Confident | 70.7 | Confident | 24 Ų | 24 | 93.1 Ų | 93.1 | 12% | 0.118 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.4 | 174.1 | -65.7 | -63.2 | -51.3 | 0 | 0 | 110.3 | D1006 T1008 V1015 Y1016 A1018 | D1006-M1024 HydrophobicContact CB-CE 3.91Å; D1006-M1024 HydrophobicContact CB-SD 3.41Å; D1006-M1024 WeakPolarHBondContact CB-SD 3.42Å; D1006-M1024 WeakPolarHBondContact O-CA 3.35Å; T1008-M1024 HydrophobicContact CG2-CE 3.67Å; V1015-M1024 WeakPolarHBondContact CA-O 3.33Å; Y1016-M1024 HydrophobicContact CD1-CB 4.49Å; Y1016-M1024 HydrophobicContact CE1-CB 4.15Å; Y1016-M1024 HydrophobicContact CE2-CB 4.17Å; Y1016-M1024 HydrophobicContact CE2-CG 4.21Å; Y1016-M1024 PolarHBondContact N-O 3.41Å; Y1016-M1024 VanDerWaalsContact N-O 3.11Å; Y1016-M1024 PolarHBondContact O-N 3.34Å; A1018-M1024 HydrophobicContact CB-CG 3.34Å; A1018-M1024 HydrophobicContact CB-SD 4.08Å |
| 1025 | V | 82.4 | Confident | 70.3 | Confident | 3 Ų | 3 | 92.9 Ų | 92.9 | 2% | 0.018 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.4 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | D944 I946 V1005 D1006 F1007 T1008 V1015 | D944-V1025 HydrophobicContact CB-CG1 3.94Å; I946-V1025 HydrophobicContact CD1-CG2 3.9Å; I946-V1025 HydrophobicContact CG1-CG1 3.96Å; I946-V1025 HydrophobicContact CG1-CG2 3.86Å; V1005-V1025 HydrophobicContact CG1-CG2 3.67Å; D1006-V1025 PolarHBondContact O-N 3.18Å; F1007-V1025 WeakPolarHBondContact CA-O 3.45Å; F1007-V1025 HydrophobicContact CD1-CB 3.71Å; F1007-V1025 HydrophobicContact CD1-CG1 3.88Å; F1007-V1025 HydrophobicContact CD1-CG2 4.32Å; F1007-V1025 HydrophobicContact CE1-CB 3.94Å; F1007-V1025 HydrophobicContact CE1-CG1 4.03Å; F1007-V1025 HydrophobicContact CE1-CG2 4.06Å; F1007-V1025 HydrophobicContact CG-CB 4.44Å; T1008-V1025 PolarHBondContact N-O 3.34Å; V1015-V1025 HydrophobicContact CG1-CG2 4.29Å; V1015-V1025 HydrophobicContact CG2-CG1 4.36Å; V1015-V1025 HydrophobicContact CG2-CG2 4.33Å |
| 1026 | V | 80.3 | Confident | 69.7 | Low | 22 Ų | 22 | 95.4 Ų | 95.4 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.5 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | T1008 G1010 A1013 M1014 Y1016 | T1008-V1026 CarbonylContact O-C 3.54Å; T1008-V1026 VanDerWaalsContact O-CA 3.3Å; T1008-V1026 WeakPolarHBondContact O-CA 3.37Å; G1010-V1026 VanDerWaalsContact CA-CG1 3.45Å; G1010-V1026 VanDerWaalsContact N-CG1 3.32Å; A1013-V1026 VanDerWaalsContact CA-O 3.27Å; A1013-V1026 WeakPolarHBondContact CA-O 3.3Å; M1014-V1026 PolarHBondContact N-O 2.91Å; M1014-V1026 PolarHBondContact O-N 3.09Å; Y1016-V1026 HydrophobicContact CE1-CG2 4.02Å |
| 1027 | A | 77.1 | Confident | 69.2 | Low | 2 Ų | 2 | 94 Ų | 94 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 147.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L942 D944 T1008 T1009 G1010 | L942-A1027 HydrophobicContact CB-CB 3.76Å; L942-A1027 HydrophobicContact CD1-CB 4.01Å; D944-A1027 HydrophobicContact CB-CB 4.23Å; T1008-A1027 PolarHBondContact O-N 3.36Å; T1009-A1027 CarbonylContact C-O 3.59Å; T1009-A1027 VanDerWaalsContact CA-O 3.3Å; T1009-A1027 WeakPolarHBondContact CA-O 3.21Å; G1010-A1027 PolarHBondContact N-O 3.21Å |
| 1028 | T | 73.3 | Confident | 68.5 | Low | 58 Ų | 58 | 92.7 Ų | 92.7 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 138.2 | -179.6 | 45 | 0 | 0 | 0 | 0 | 112 | S943 Q1011 A1013 T1030 | S943-T1028 PolarHBondContact OG-O 3.48Å; Q1011-T1028 WeakPolarHBondContact O-CG2 3.35Å; A1013-T1028 HydrophobicContact CB-CG2 4.21Å; T1028-T1030 PolarHBondContact O-N 2.79Å |
| 1029 | R | 63.1 | Low | 67.9 | Low | 212 Ų | 212 | 97.6 Ų | 97.6 | 80% | 0.8 | 46% | 0.458 | S | S | * | . | trans | -73.7 | 107.5 | -179.1 | -138 | 177.8 | -171.7 | 178.5 | 2.4 | 110.3 | K1031 | R1029-K1031 PolarHBondContact O-N 3.37Š| ||
| 1030 | T | 57.9 | Low | 67.6 | Low | 67 Ų | 67 | 88.4 Ų | 88.4 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | trans | -74.5 | 109.9 | 173.9 | 21.6 | 0 | 0 | 0 | 0 | 110.5 | T1028 T1032 | T1028-T1030 PolarHBondContact O-N 2.79Å; T1030-T1032 PolarHBondContact O-N 3.18Å; T1030-T1032 VanDerWaalsContact O-N 3.08Å | ||
| 1031 | K | 49.3 | Very low | 67.2 | Low | 212 Ų | 212 | 88.1 Ų | 88.1 | 92% | 0.922 | 41% | 0.414 | S | S | * | . | trans | -67.3 | 102.1 | 169.5 | -77.5 | -177.7 | 177.8 | 177.4 | 0 | 109 | R1029 | R1029-K1031 PolarHBondContact O-N 3.37Š| ||
| 1032 | T | 42 | Very low | 67 | Low | 139 Ų | 139 | 93.2 Ų | 93.2 | 85% | 0.853 | 43% | 0.426 | S | S | * | . | trans | -67.3 | 124.5 | 171.5 | 43.4 | 0 | 0 | 0 | 0 | 110 | T1030 | T1030-T1032 PolarHBondContact O-N 3.18Å; T1030-T1032 VanDerWaalsContact O-N 3.08Å | ||
| 1033 | R | 34.6 | Very low | 65.7 | Low | 321 Ų | 321 | 96.5 Ų | 96.5 | 100% | 1.211 | 44% | 0.44 | S | S | * | . | trans | -119.9 | 0 | 170.5 | -138.8 | -175 | -167.4 | -175.5 | 2.9 | 109.5 |
Retrieved 1,033 of 1,033 residues in 2131.6 ms
(Link to these results)