| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.7 | Low | 69.2 | Low | 207 Ų | 207 | 80.1 Ų | 80.1 | 100% | 1.02 | 55% | 0.553 | S | S | * | * | 0 | -37.3 | 0 | -64 | -55.5 | -94.8 | 0 | 0 | 113.7 | A3 V4 G5 | M1-A3 PolarHBondContact O-N 3.41Å; M1-V4 PolarHBondContact O-N 3.43Å; M1-G5 PolarHBondContact O-N 3.39Å | |||
| 2 | A | 67.1 | Low | 70.7 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 77% | 0.769 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -38.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V4 G5 A6 | A2-V4 PolarHBondContact O-N 3.09Å; A2-G5 PolarHBondContact O-N 3.4Å; A2-A6 PolarHBondContact O-N 3.48Å; A2-A6 VanDerWaalsContact O-N 3.09Å |
| 3 | A | 62.7 | Low | 72.1 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 A6 V7 | M1-A3 PolarHBondContact O-N 3.41Å; A3-A6 PolarHBondContact O-N 3.34Å; A3-V7 WeakPolarHBondContact O-CG2 3.42Å; A3-V7 PolarHBondContact O-N 3.01Å; A3-V7 VanDerWaalsContact O-N 3.07Å |
| 4 | V | 65.9 | Low | 73.4 | Confident | 107 Ų | 107 | 77.9 Ų | 77.9 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -39.5 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | M1 A2 V7 A8 | M1-V4 PolarHBondContact O-N 3.43Å; A2-V4 PolarHBondContact O-N 3.09Å; V4-V7 PolarHBondContact O-N 3.49Å; V4-A8 PolarHBondContact O-N 3.34Å |
| 5 | G | 70.4 | Confident | 74.6 | Confident | 45 Ų | 45 | 73 Ų | 73 | 46% | 0.464 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 A2 A8 S9 | M1-G5 PolarHBondContact O-N 3.39Å; A2-G5 PolarHBondContact O-N 3.4Å; G5-A8 PolarHBondContact O-N 3.36Å; G5-S9 PolarHBondContact O-N 2.99Å; G5-S9 PolarHBondContact O-OG 3.31Å |
| 6 | A | 69.4 | Low | 75.7 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A2 A3 S9 S10 | A2-A6 PolarHBondContact O-N 3.48Å; A2-A6 VanDerWaalsContact O-N 3.09Å; A3-A6 PolarHBondContact O-N 3.34Å; A6-S9 PolarHBondContact O-OG 3.25Å; A6-S9 VanDerWaalsContact O-OG 3.12Å; A6-S10 WeakPolarHBondContact O-CB 3.37Å; A6-S10 PolarHBondContact O-N 3.04Å; A6-S10 VanDerWaalsContact O-N 3.12Å; A6-S10 PolarHBondContact O-OG 3.07Å |
| 7 | V | 69.6 | Low | 76.6 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 53% | 0.527 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | A3 V4 S10 A11 P44 | A3-V7 WeakPolarHBondContact O-CG2 3.42Å; A3-V7 PolarHBondContact O-N 3.01Å; A3-V7 VanDerWaalsContact O-N 3.07Å; V4-V7 PolarHBondContact O-N 3.49Å; V7-S10 WeakPolarHBondContact CA-OG 3.4Å; V7-S10 PolarHBondContact O-N 3Å; V7-S10 PolarHBondContact O-OG 3.39Å; V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 3.12Å; V7-P44 HydrophobicContact CG1-CG 4.44Å |
| 8 | A | 70.2 | Confident | 77.4 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 G5 S10 A11 | V4-A8 PolarHBondContact O-N 3.34Å; G5-A8 PolarHBondContact O-N 3.36Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 2.83Å; A8-A11 PolarHBondContact O-N 3.12Å |
| 9 | S | 72.4 | Confident | 78.3 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.6 | -33.1 | 177.9 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | G5 A6 A11 | G5-S9 PolarHBondContact O-N 2.99Å; G5-S9 PolarHBondContact O-OG 3.31Å; A6-S9 PolarHBondContact O-OG 3.25Å; A6-S9 VanDerWaalsContact O-OG 3.12Å; S9-A11 VanDerWaalsContact C-N 3.29Å |
| 10 | S | 77.3 | Confident | 79.1 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -77.2 | -15 | 175.2 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | A6 V7 A8 | A6-S10 WeakPolarHBondContact O-CB 3.37Å; A6-S10 PolarHBondContact O-N 3.04Å; A6-S10 VanDerWaalsContact O-N 3.12Å; A6-S10 PolarHBondContact O-OG 3.07Å; V7-S10 WeakPolarHBondContact CA-OG 3.4Å; V7-S10 PolarHBondContact O-N 3Å; V7-S10 PolarHBondContact O-OG 3.39Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 2.83Å |
| 11 | A | 82.7 | Confident | 79.7 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -12.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V7 A8 S9 F41 L42 P44 | V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 3.12Å; A8-A11 PolarHBondContact O-N 3.12Å; S9-A11 VanDerWaalsContact C-N 3.29Å; A11-F41 CarbonylContact O-C 3.5Å; A11-F41 VanDerWaalsContact O-CA 3.31Å; A11-F41 WeakPolarHBondContact O-CA 3.42Å; A11-L42 WeakPolarHBondContact CA-O 3.36Å; A11-L42 WeakPolarHBondContact CB-O 3.38Å; A11-L42 PolarHBondContact O-N 2.78Å; A11-P44 HydrophobicContact CB-CG 3.85Å |
| 12 | L | 87.2 | Confident | 81.6 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.3 | 178.2 | -71 | 170.9 | 0 | 0 | 0 | 110.5 | T39 F41 | L12-T39 HydrophobicContact CD2-CG2 3.86Å; L12-F41 HydrophobicContact CD2-CD1 3.52Å; L12-F41 HydrophobicContact CD2-CD2 4.41Å; L12-F41 HydrophobicContact CD2-CE1 3.26Å; L12-F41 HydrophobicContact CD2-CE2 4.18Å; L12-F41 HydrophobicContact CD2-CG 4.11Å; L12-F41 HydrophobicContact CD2-CZ 3.62Å; L12-F41 HydrophobicContact CG-CD1 4.32Å; L12-F41 HydrophobicContact CG-CE1 4.09Å |
| 13 | Y | 88.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.8 | 168 | 75.1 | -76.9 | 0 | 0 | 0 | 110.2 | V15 A21 V35 H40 L42 P49 | Y13-V15 HydrophobicContact CD2-CG2 4.03Å; Y13-V15 HydrophobicContact CE2-CG2 3.57Å; Y13-A21 HydrophobicContact CE2-CB 3.96Å; Y13-V35 WeakPolarHBondContact OH-CG1 3.29Å; Y13-H40 HydrophobicContact CD1-CB 4.13Å; Y13-H40 VanDerWaalsContact CD1-O 3.29Å; Y13-H40 WeakPolarHBondContact CD1-O 3.46Å; Y13-H40 HydrophobicContact CE1-CB 3.44Å; Y13-H40 VanDerWaalsContact CE1-CB 3.44Å; Y13-H40 HydrophobicContact CE2-CB 4.17Å; Y13-H40 VanDerWaalsContact CZ-CB 3.45Å; Y13-H40 PolarHBondContact N-O 3.05Å; Y13-H40 PolarHBondContact O-N 2.76Å; Y13-H40 WeakPolarHBondContact OH-CB 3.42Å; Y13-L42 HydrophobicContact CD1-CB 3.93Å; Y13-L42 HydrophobicContact CD1-CD2 3.42Å; Y13-L42 VanDerWaalsContact CD1-CD2 3.42Å; Y13-L42 HydrophobicContact CD1-CG 3.75Å; Y13-L42 HydrophobicContact CE1-CB 3.92Å; Y13-L42 HydrophobicContact CE1-CD2 4.02Å; Y13-L42 HydrophobicContact CE1-CG 4.26Å; Y13-L42 HydrophobicContact CG-CD2 3.89Å; Y13-P49 HydrophobicContact CD2-CB 3.87Å; Y13-P49 HydrophobicContact CD2-CG 4.1Å; Y13-P49 HydrophobicContact CE2-CB 3.9Å; Y13-P49 HydrophobicContact CG-CB 4.34Å; Y13-P49 HydrophobicContact CG-CG 4.17Å |
| 14 | N | 90.5 | Very high | 84.2 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139.1 | 179.7 | -71 | -9 | 0 | 0 | 0 | 109.9 | T39 | N14-T39 WeakPolarHBondContact OD1-CA 3.28Å; N14-T39 VanDerWaalsContact OD1-CB 3.25Å; N14-T39 WeakPolarHBondContact OD1-CB 3.45Å; N14-T39 VanDerWaalsContact OD1-CG2 3.25Å; N14-T39 WeakPolarHBondContact OD1-CG2 3.28Å; N14-T39 PolarHBondContact OD1-OG1 2.83Å |
| 15 | V | 91.9 | Very high | 85.3 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.6 | 168.7 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | Y13 Q19 A21 G36 E37 G38 | Y13-V15 HydrophobicContact CD2-CG2 4.03Å; Y13-V15 HydrophobicContact CE2-CG2 3.57Å; V15-Q19 HydrophobicContact CG1-CB 3.98Å; V15-Q19 WeakPolarHBondContact CG1-O 3.29Å; V15-A21 HydrophobicContact CG2-CB 3.7Å; V15-G36 VanDerWaalsContact CB-O 3.28Å; V15-G36 WeakPolarHBondContact CB-O 3.31Å; V15-G36 WeakPolarHBondContact CG1-O 3.25Å; V15-E37 WeakPolarHBondContact O-CA 3.41Å; V15-G38 PolarHBondContact N-O 2.92Å; V15-G38 PolarHBondContact O-N 2.81Å |
| 16 | D | 91.7 | Very high | 86.1 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | trans | -75.2 | 164.2 | -179.1 | -166.8 | 21.8 | 0 | 0 | 0 | 111.9 | G18 Q19 | D16-G18 PolarHBondContact O-N 3.08Å; D16-Q19 WeakPolarHBondContact O-CB 3.42Å; D16-Q19 PolarHBondContact O-N 2.86Å | ||
| 17 | G | 91 | Very high | 87 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 132.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q19 R55 | G17-Q19 VanDerWaalsContact C-N 3.27Å; G17-Q19 PolarHBondContact O-N 2.66Å; G17-R55 PolarHBondContact O-NH2 2.99Å |
| 18 | G | 91.5 | Very high | 87.8 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 13.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D16 I54 | D16-G18 PolarHBondContact O-N 3.08Å; G18-I54 WeakPolarHBondContact O-CG1 3.25Å; G18-I54 PolarHBondContact O-N 3.41Å |
| 19 | Q | 94.1 | Very high | 88.8 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 161.5 | 167.2 | -63.8 | 178.9 | -12.4 | 0 | 0 | 110.9 | V15 D16 G17 I51 F52 | V15-Q19 HydrophobicContact CG1-CB 3.98Å; V15-Q19 WeakPolarHBondContact CG1-O 3.29Å; D16-Q19 WeakPolarHBondContact O-CB 3.42Å; D16-Q19 PolarHBondContact O-N 2.86Å; G17-Q19 VanDerWaalsContact C-N 3.27Å; G17-Q19 PolarHBondContact O-N 2.66Å; Q19-I51 HydrophobicContact CB-CG2 3.85Å; Q19-I51 HydrophobicContact CG-CG2 4.21Å; Q19-I51 VanDerWaalsContact OE1-CG2 3.28Å; Q19-F52 CarbonylContact C-O 3.28Å; Q19-F52 VanDerWaalsContact CA-O 3.25Å; Q19-F52 WeakPolarHBondContact CA-O 3.25Å; Q19-F52 WeakPolarHBondContact CB-O 3.31Å |
| 20 | R | 93.8 | Very high | 89.6 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.1 | 174 | -69.7 | -63.9 | 180 | -102.2 | 5 | 109.8 | V34 V35 E37 F52 I54 P93 L96 | R20-V34 HydrophobicContact CB-CG1 3.69Å; R20-V34 HydrophobicContact CG-CG1 4.13Å; R20-V35 WeakPolarHBondContact CA-O 3.17Å; R20-V35 WeakPolarHBondContact CD-O 3.49Å; R20-E37 IonicContact NH1-OE2 3.11Å; R20-F52 PolarHBondContact N-O 2.99Å; R20-F52 PolarHBondContact O-N 3.49Å; R20-I54 HydrophobicContact CB-CG2 3.98Å; R20-I54 HydrophobicContact CG-CD1 3.9Å; R20-I54 HydrophobicContact CG-CG1 4.26Å; R20-I54 HydrophobicContact CG-CG2 3.67Å; R20-P93 HydrophobicContact CG-CB 4.39Å; R20-L96 HydrophobicContact CB-CD1 3.55Å; R20-L96 HydrophobicContact CG-CD1 4.28Å |
| 21 | A | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y13 V15 V35 V50 I51 | Y13-A21 HydrophobicContact CE2-CB 3.96Å; V15-A21 HydrophobicContact CG2-CB 3.7Å; A21-V35 HydrophobicContact CB-CB 4.27Å; A21-V35 PolarHBondContact N-O 3.43Å; A21-V35 PolarHBondContact O-N 3.23Å; A21-V50 CarbonylContact C-O 3.54Å; A21-V50 WeakPolarHBondContact CA-O 3.44Å; A21-I51 HydrophobicContact CB-CG1 4.38Å |
| 22 | V | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.7 | 167.8 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V30 V50 F52 L96 P97 Y100 | V22-V30 HydrophobicContact CG1-CG1 3.47Å; V22-V30 VanDerWaalsContact CG1-CG1 3.47Å; V22-V50 PolarHBondContact N-O 2.84Å; V22-V50 PolarHBondContact O-N 2.77Å; V22-F52 HydrophobicContact CB-CD2 4.45Å; V22-F52 HydrophobicContact CB-CE2 4.17Å; V22-F52 HydrophobicContact CG2-CD2 3.91Å; V22-F52 HydrophobicContact CG2-CE2 3.86Å; V22-L96 HydrophobicContact CG2-CB 3.65Å; V22-P97 HydrophobicContact CG1-CB 4.36Å; V22-P97 HydrophobicContact CG1-CG 4.46Å; V22-P97 HydrophobicContact CG2-CG 4.38Å; V22-Y100 HydrophobicContact CG1-CD1 4.23Å |
| 23 | I | 92.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.9 | -179.1 | -56.7 | -52.4 | 0 | 0 | 0 | 110.1 | K31 V35 Q47 P49 | I23-K31 HydrophobicContact CB-CD 4.49Å; I23-K31 HydrophobicContact CG2-CD 4.43Å; I23-K31 PolarHBondContact O-N 3.01Å; I23-V35 HydrophobicContact CG1-CG2 4.05Å; I23-Q47 HydrophobicContact CG2-CB 4.04Å; I23-Q47 HydrophobicContact CG2-CG 4.46Å; I23-P49 HydrophobicContact CD1-CB 3.8Å |
| 24 | F | 91.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.4 | 169.4 | 179.9 | -94.6 | 0 | 0 | 0 | 110 | V30 Q47 R48 Y100 | F24-V30 HydrophobicContact CD2-CG2 3.85Å; F24-V30 HydrophobicContact CE2-CG2 4.48Å; F24-Q47 CarbonylContact O-C 3.56Å; F24-Q47 WeakPolarHBondContact O-CA 3.4Å; F24-R48 PolarHBondContact N-O 2.8Å; F24-R48 PolarHBondContact O-N 3.37Å; F24-Y100 HydrophobicContact CB-CE1 4.45Å; F24-Y100 HydrophobicContact CD2-CE1 4.27Å |
| 25 | D | 90.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.8 | 171.3 | -75.4 | 2.7 | 0 | 0 | 0 | 109.8 | F27 T28 G29 K31 Q47 | D25-F27 PolarHBondContact O-N 2.92Å; D25-T28 WeakPolarHBondContact CB-OG1 3.37Å; D25-T28 PolarHBondContact OD2-OG1 3.17Å; D25-G29 WeakPolarHBondContact CB-O 2.73Å; D25-G29 PolarHBondContact N-O 2.82Å; D25-G29 VanDerWaalsContact O-CA 3.29Å; D25-G29 WeakPolarHBondContact O-CA 3.3Å; D25-G29 PolarHBondContact O-N 2.87Å; D25-K31 VanDerWaalsContact OD1-CE 3.3Å; D25-K31 WeakPolarHBondContact OD1-CE 3.01Å; D25-K31 WeakPolarHBondContact OD2-CE 3.47Å; D25-K31 IonicContact OD2-NZ 3.43Å; D25-K31 PolarHBondContact OD2-NZ 2.95Å; D25-Q47 WeakPolarHBondContact OD1-CG 3.39Å; D25-Q47 PolarHBondContact OD1-NE2 2.88Å |
| 26 | R | 87.2 | Confident | 90.7 | Very high | 140 Ų | 140 | 57.4 Ų | 57.4 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.3 | 179.4 | -177.9 | 176.3 | -81.7 | -168.3 | -5.5 | 113.9 | V46 | R26-V46 WeakPolarHBondContact CB-O 3.45Å; R26-V46 PolarHBondContact N-O 3.02Å |
| 27 | F | 88 | Confident | 90.7 | Very high | 167 Ų | 167 | 58 Ų | 58 | 73% | 0.732 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -38.8 | -176.2 | -60.5 | -69.2 | 0 | 0 | 0 | 114.1 | D25 V46 | D25-F27 PolarHBondContact O-N 2.92Å; F27-V46 HydrophobicContact CD2-CG1 3.79Å; F27-V46 HydrophobicContact CE2-CG1 3.94Å; F27-V46 HydrophobicContact CE2-CG2 4.18Å |
| 28 | T | 86.5 | Confident | 90.8 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.7 | -173.9 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | D25 | D25-T28 WeakPolarHBondContact CB-OG1 3.37Å; D25-T28 PolarHBondContact OD2-OG1 3.17Å |
| 29 | G | 89.7 | Confident | 90.9 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.8 | -150 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D25 K31 | D25-G29 WeakPolarHBondContact CB-O 2.73Å; D25-G29 PolarHBondContact N-O 2.82Å; D25-G29 VanDerWaalsContact O-CA 3.29Å; D25-G29 WeakPolarHBondContact O-CA 3.3Å; D25-G29 PolarHBondContact O-N 2.87Å; G29-K31 PolarHBondContact O-N 2.97Å |
| 30 | V | 89.7 | Confident | 90.7 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.8 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V22 F24 P97 Y100 | V22-V30 HydrophobicContact CG1-CG1 3.47Å; V22-V30 VanDerWaalsContact CG1-CG1 3.47Å; F24-V30 HydrophobicContact CD2-CG2 3.85Å; F24-V30 HydrophobicContact CE2-CG2 4.48Å; V30-P97 HydrophobicContact CG1-CB 3.97Å; V30-Y100 HydrophobicContact CG1-CD1 4.1Å; V30-Y100 HydrophobicContact CG2-CD1 3.56Å; V30-Y100 HydrophobicContact CG2-CE1 3.71Å |
| 31 | K | 89.3 | Confident | 90.5 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.1 | 173.8 | -67.7 | -162.1 | -176.5 | -171.8 | 0 | 111.1 | I23 D25 G29 T33 Q47 | I23-K31 HydrophobicContact CB-CD 4.49Å; I23-K31 HydrophobicContact CG2-CD 4.43Å; I23-K31 PolarHBondContact O-N 3.01Å; D25-K31 VanDerWaalsContact OD1-CE 3.3Å; D25-K31 WeakPolarHBondContact OD1-CE 3.01Å; D25-K31 WeakPolarHBondContact OD2-CE 3.47Å; D25-K31 IonicContact OD2-NZ 3.43Å; D25-K31 PolarHBondContact OD2-NZ 2.95Å; G29-K31 PolarHBondContact O-N 2.97Å; K31-T33 PolarHBondContact O-N 2.85Å; K31-Q47 VanDerWaalsContact NZ-NE2 3.14Å |
| 32 | P | 87.4 | Confident | 90.3 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -17.1 | 178 | 30.2 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 33 | T | 88.5 | Confident | 90.1 | Very high | 98 Ų | 98 | 72.4 Ų | 72.4 | 60% | 0.601 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.7 | -179.1 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | K31 | K31-T33 PolarHBondContact O-N 2.85Å |
| 34 | V | 91.8 | Very high | 89.6 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.218 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.9 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 109 | R20 P93 L96 P97 | R20-V34 HydrophobicContact CB-CG1 3.69Å; R20-V34 HydrophobicContact CG-CG1 4.13Å; V34-P93 WeakPolarHBondContact CG2-O 3.26Å; V34-L96 HydrophobicContact CG1-CD1 4.13Å; V34-L96 HydrophobicContact CG2-CB 4.33Å; V34-P97 VanDerWaalsContact CG2-CD 3.42Å; V34-P97 HydrophobicContact CG2-CG 3.48Å; V34-P97 VanDerWaalsContact CG2-CG 3.48Å |
| 35 | V | 92.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.5 | -178.2 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | Y13 R20 A21 I23 H40 | Y13-V35 WeakPolarHBondContact OH-CG1 3.29Å; R20-V35 WeakPolarHBondContact CA-O 3.17Å; R20-V35 WeakPolarHBondContact CD-O 3.49Å; A21-V35 HydrophobicContact CB-CB 4.27Å; A21-V35 PolarHBondContact N-O 3.43Å; A21-V35 PolarHBondContact O-N 3.23Å; I23-V35 HydrophobicContact CG1-CG2 4.05Å; V35-H40 HydrophobicContact CG1-CB 4.28Å; V35-H40 WeakPolarHBondContact CG1-CD2 3.46Å; V35-H40 VanDerWaalsContact CG1-CE1 3.41Å; V35-H40 WeakPolarHBondContact CG1-CE1 3.45Å; V35-H40 VanDerWaalsContact CG1-CG 3.46Å; V35-H40 WeakPolarHBondContact CG1-NE2 3.25Å |
| 36 | G | 92.2 | Very high | 89.1 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | trans | -74.5 | -173.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V15 H40 | V15-G36 VanDerWaalsContact CB-O 3.28Å; V15-G36 WeakPolarHBondContact CB-O 3.31Å; V15-G36 WeakPolarHBondContact CG1-O 3.25Å; G36-H40 PolarHBondContact O-CE1 3.49Å; G36-H40 VanDerWaalsContact O-CE1 3.23Å | ||
| 37 | E | 92 | Very high | 89.2 | Confident | 116 Ų | 116 | 76.1 Ų | 76.1 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -66.1 | 150.3 | 173.7 | 62.9 | -163.6 | -153.4 | 0 | 0 | 112.2 | V15 R20 | V15-E37 WeakPolarHBondContact O-CA 3.41Å; R20-E37 IonicContact NH1-OE2 3.11Å |
| 38 | G | 93.2 | Very high | 89.3 | Confident | 36 Ų | 36 | 75 Ų | 75 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.7 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V15 H40 | V15-G38 PolarHBondContact N-O 2.92Å; V15-G38 PolarHBondContact O-N 2.81Å; G38-H40 PolarHBondContact O-ND1 2.9Å |
| 39 | T | 91.8 | Very high | 89.5 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.7 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | L12 N14 | L12-T39 HydrophobicContact CD2-CG2 3.86Å; N14-T39 WeakPolarHBondContact OD1-CA 3.28Å; N14-T39 VanDerWaalsContact OD1-CB 3.25Å; N14-T39 WeakPolarHBondContact OD1-CB 3.45Å; N14-T39 VanDerWaalsContact OD1-CG2 3.25Å; N14-T39 WeakPolarHBondContact OD1-CG2 3.28Å; N14-T39 PolarHBondContact OD1-OG1 2.83Å |
| 40 | H | 90.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 72 Ų | 72 | 27% | 0.269 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 157.8 | -176.6 | -66.6 | 86.3 | 0 | 0 | 0 | 111.1 | Y13 V35 G36 G38 | Y13-H40 HydrophobicContact CD1-CB 4.13Å; Y13-H40 VanDerWaalsContact CD1-O 3.29Å; Y13-H40 WeakPolarHBondContact CD1-O 3.46Å; Y13-H40 HydrophobicContact CE1-CB 3.44Å; Y13-H40 VanDerWaalsContact CE1-CB 3.44Å; Y13-H40 HydrophobicContact CE2-CB 4.17Å; Y13-H40 VanDerWaalsContact CZ-CB 3.45Å; Y13-H40 PolarHBondContact N-O 3.05Å; Y13-H40 PolarHBondContact O-N 2.76Å; Y13-H40 WeakPolarHBondContact OH-CB 3.42Å; V35-H40 HydrophobicContact CG1-CB 4.28Å; V35-H40 WeakPolarHBondContact CG1-CD2 3.46Å; V35-H40 VanDerWaalsContact CG1-CE1 3.41Å; V35-H40 WeakPolarHBondContact CG1-CE1 3.45Å; V35-H40 VanDerWaalsContact CG1-CG 3.46Å; V35-H40 WeakPolarHBondContact CG1-NE2 3.25Å; G36-H40 PolarHBondContact O-CE1 3.49Å; G36-H40 VanDerWaalsContact O-CE1 3.23Å; G38-H40 PolarHBondContact O-ND1 2.9Å |
| 41 | F | 89.8 | Confident | 89.7 | Confident | 163 Ų | 163 | 74 Ų | 74 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.6 | 176.8 | -66.4 | -90.4 | 0 | 0 | 0 | 110.6 | A11 L12 | A11-F41 CarbonylContact O-C 3.5Å; A11-F41 VanDerWaalsContact O-CA 3.31Å; A11-F41 WeakPolarHBondContact O-CA 3.42Å; L12-F41 HydrophobicContact CD2-CD1 3.52Å; L12-F41 HydrophobicContact CD2-CD2 4.41Å; L12-F41 HydrophobicContact CD2-CE1 3.26Å; L12-F41 HydrophobicContact CD2-CE2 4.18Å; L12-F41 HydrophobicContact CD2-CG 4.11Å; L12-F41 HydrophobicContact CD2-CZ 3.62Å; L12-F41 HydrophobicContact CG-CD1 4.32Å; L12-F41 HydrophobicContact CG-CE1 4.09Å |
| 42 | L | 89.4 | Confident | 89.9 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -130.1 | 160.5 | 170.2 | 64.1 | 77 | 0 | 0 | 0 | 110.2 | A11 Y13 P44 Q47 P49 | A11-L42 WeakPolarHBondContact CA-O 3.36Å; A11-L42 WeakPolarHBondContact CB-O 3.38Å; A11-L42 PolarHBondContact O-N 2.78Å; Y13-L42 HydrophobicContact CD1-CB 3.93Å; Y13-L42 HydrophobicContact CD1-CD2 3.42Å; Y13-L42 VanDerWaalsContact CD1-CD2 3.42Å; Y13-L42 HydrophobicContact CD1-CG 3.75Å; Y13-L42 HydrophobicContact CE1-CB 3.92Å; Y13-L42 HydrophobicContact CE1-CD2 4.02Å; Y13-L42 HydrophobicContact CE1-CG 4.26Å; Y13-L42 HydrophobicContact CG-CD2 3.89Å; L42-P44 HydrophobicContact CD1-CG 4.42Å; L42-P44 VanDerWaalsContact O-CD 3.31Å; L42-P44 WeakPolarHBondContact O-CD 3.49Å; L42-Q47 HydrophobicContact CB-CB 4.38Å; L42-P49 HydrophobicContact CD2-CB 4.4Å; L42-P49 HydrophobicContact CD2-CG 3.64Å | ||
| 43 | I | 88.1 | Confident | 90.2 | Very high | 99 Ų | 99 | 68.7 Ų | 68.7 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | trans | -86 | 113.2 | 171.4 | -56 | 171 | 0 | 0 | 0 | 108.3 | V46 Q47 | I43-V46 HydrophobicContact CB-CB 4.33Å; I43-V46 HydrophobicContact CG2-CB 4.02Å; I43-V46 HydrophobicContact CG2-CG2 3.96Å; I43-V46 PolarHBondContact O-N 3.06Å; I43-Q47 HydrophobicContact CB-CG 4.11Å; I43-Q47 PolarHBondContact O-N 3.44Å; I43-Q47 VanDerWaalsContact O-N 3.08Å | ||
| 44 | P | 82.1 | Confident | 90.4 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 144.3 | 176.9 | -22.8 | 34.3 | 0 | 0 | 0 | 110.2 | V7 A11 L42 V46 | V7-P44 HydrophobicContact CG1-CG 4.44Å; A11-P44 HydrophobicContact CB-CG 3.85Å; L42-P44 HydrophobicContact CD1-CG 4.42Å; L42-P44 VanDerWaalsContact O-CD 3.31Å; L42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-V46 PolarHBondContact O-N 2.89Å |
| 45 | W | 83 | Confident | 90.5 | Very high | 218 Ų | 218 | 70 Ų | 70 | 83% | 0.826 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -36.7 | -177.7 | -54.6 | 84.5 | 0 | 0 | 0 | 117.3 | ||
| 46 | V | 87.7 | Confident | 90.5 | Very high | 43 Ų | 43 | 71 Ų | 71 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -41.7 | -178 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | R26 F27 I43 P44 | R26-V46 WeakPolarHBondContact CB-O 3.45Å; R26-V46 PolarHBondContact N-O 3.02Å; F27-V46 HydrophobicContact CD2-CG1 3.79Å; F27-V46 HydrophobicContact CE2-CG1 3.94Å; F27-V46 HydrophobicContact CE2-CG2 4.18Å; I43-V46 HydrophobicContact CB-CB 4.33Å; I43-V46 HydrophobicContact CG2-CB 4.02Å; I43-V46 HydrophobicContact CG2-CG2 3.96Å; I43-V46 PolarHBondContact O-N 3.06Å; P44-V46 PolarHBondContact O-N 2.89Å |
| 47 | Q | 90.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 72 Ų | 72 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142 | -174.7 | -51 | -168.7 | -64.8 | 0 | 0 | 110.6 | I23 F24 D25 K31 L42 I43 | I23-Q47 HydrophobicContact CG2-CB 4.04Å; I23-Q47 HydrophobicContact CG2-CG 4.46Å; F24-Q47 CarbonylContact O-C 3.56Å; F24-Q47 WeakPolarHBondContact O-CA 3.4Å; D25-Q47 WeakPolarHBondContact OD1-CG 3.39Å; D25-Q47 PolarHBondContact OD1-NE2 2.88Å; K31-Q47 VanDerWaalsContact NZ-NE2 3.14Å; L42-Q47 HydrophobicContact CB-CB 4.38Å; I43-Q47 HydrophobicContact CB-CG 4.11Å; I43-Q47 PolarHBondContact O-N 3.44Å; I43-Q47 VanDerWaalsContact O-N 3.08Å |
| 48 | R | 90 | Very high | 90.5 | Very high | 144 Ų | 144 | 70.2 Ų | 70.2 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.6 | 173.2 | -68.2 | -176.5 | -179.6 | 168 | -4.4 | 109.5 | F24 | F24-R48 PolarHBondContact N-O 2.8Å; F24-R48 PolarHBondContact O-N 3.37Å |
| 49 | P | 91.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 29% | 0.286 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.1 | 175 | 33.2 | -27.5 | 0 | 0 | 0 | 108.8 | Y13 I23 L42 | Y13-P49 HydrophobicContact CD2-CB 3.87Å; Y13-P49 HydrophobicContact CD2-CG 4.1Å; Y13-P49 HydrophobicContact CE2-CB 3.9Å; Y13-P49 HydrophobicContact CG-CB 4.34Å; Y13-P49 HydrophobicContact CG-CG 4.17Å; I23-P49 HydrophobicContact CD1-CB 3.8Å; L42-P49 HydrophobicContact CD2-CB 4.4Å; L42-P49 HydrophobicContact CD2-CG 3.64Å |
| 50 | V | 91.7 | Very high | 89.8 | Confident | 24 Ų | 24 | 72 Ų | 72 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110.4 | 169.9 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | A21 V22 F52 Y100 T105 | A21-V50 CarbonylContact C-O 3.54Å; A21-V50 WeakPolarHBondContact CA-O 3.44Å; V22-V50 PolarHBondContact N-O 2.84Å; V22-V50 PolarHBondContact O-N 2.77Å; V50-F52 HydrophobicContact CB-CE2 4.18Å; V50-F52 HydrophobicContact CG1-CD2 4.2Å; V50-F52 HydrophobicContact CG1-CE2 3.54Å; V50-F52 HydrophobicContact CG1-CZ 3.96Å; V50-Y100 HydrophobicContact CG1-CD2 4.28Å; V50-Y100 HydrophobicContact CG1-CE2 4.07Å; V50-Y100 HydrophobicContact CG2-CE1 4.25Å; V50-Y100 HydrophobicContact CG2-CE2 4.13Å; V50-T105 HydrophobicContact CG1-CG2 3.7Å |
| 51 | I | 92.5 | Very high | 89.2 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 42% | 0.415 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.7 | -176.1 | -56.5 | 174.1 | 0 | 0 | 0 | 108.6 | Q19 A21 | Q19-I51 HydrophobicContact CB-CG2 3.85Å; Q19-I51 HydrophobicContact CG-CG2 4.21Å; Q19-I51 VanDerWaalsContact OE1-CG2 3.28Å; A21-I51 HydrophobicContact CB-CG1 4.38Å |
| 52 | F | 92.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.9 | 174.3 | -73.2 | -89.9 | 0 | 0 | 0 | 109.9 | Q19 R20 V22 V50 L96 Y100 T105 Y107 | Q19-F52 CarbonylContact C-O 3.28Å; Q19-F52 VanDerWaalsContact CA-O 3.25Å; Q19-F52 WeakPolarHBondContact CA-O 3.25Å; Q19-F52 WeakPolarHBondContact CB-O 3.31Å; R20-F52 PolarHBondContact N-O 2.99Å; R20-F52 PolarHBondContact O-N 3.49Å; V22-F52 HydrophobicContact CB-CD2 4.45Å; V22-F52 HydrophobicContact CB-CE2 4.17Å; V22-F52 HydrophobicContact CG2-CD2 3.91Å; V22-F52 HydrophobicContact CG2-CE2 3.86Å; V50-F52 HydrophobicContact CB-CE2 4.18Å; V50-F52 HydrophobicContact CG1-CD2 4.2Å; V50-F52 HydrophobicContact CG1-CE2 3.54Å; V50-F52 HydrophobicContact CG1-CZ 3.96Å; F52-L96 HydrophobicContact CB-CD1 4.13Å; F52-L96 HydrophobicContact CB-CD2 3.99Å; F52-L96 HydrophobicContact CD1-CD2 4.14Å; F52-L96 HydrophobicContact CD2-CD2 4.39Å; F52-L96 HydrophobicContact CG-CD2 3.92Å; F52-Y100 HydrophobicContact CE2-CD2 4.32Å; F52-Y100 HydrophobicContact CE2-CG 4.38Å; F52-Y100 AromaticContact CZ-CD2 3.84Å; F52-Y100 HydrophobicContact CZ-CD2 3.84Å; F52-Y100 HydrophobicContact CZ-CG 4.17Å; F52-T105 HydrophobicContact CZ-CG2 4.19Å; F52-Y107 HydrophobicContact CD1-CD1 4.43Å; F52-Y107 HydrophobicContact CD1-CE1 4.06Å; F52-Y107 HydrophobicContact CE1-CD1 4.1Å; F52-Y107 HydrophobicContact CE1-CE1 4.19Å |
| 53 | D | 92.5 | Very high | 87.4 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.4 | 166.3 | -161.4 | -19.9 | 0 | 0 | 0 | 109.2 | R55 P91 | D53-R55 WeakPolarHBondContact OD1-CB 2.99Å; D53-R55 WeakPolarHBondContact OD1-CG 3.17Å; D53-R55 PolarHBondContact OD1-N 2.7Å; D53-P91 WeakPolarHBondContact O-CG 3.44Å |
| 54 | I | 92.7 | Very high | 86.4 | Confident | 31 Ų | 31 | 66.1 Ų | 66.1 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | trans | -106.4 | 6.6 | 175.9 | 60.9 | 157.3 | 0 | 0 | 0 | 112.2 | G18 R20 P91 P93 L96 | G18-I54 WeakPolarHBondContact O-CG1 3.25Å; G18-I54 PolarHBondContact O-N 3.41Å; R20-I54 HydrophobicContact CB-CG2 3.98Å; R20-I54 HydrophobicContact CG-CD1 3.9Å; R20-I54 HydrophobicContact CG-CG1 4.26Å; R20-I54 HydrophobicContact CG-CG2 3.67Å; I54-P91 HydrophobicContact CG2-CG 4.25Å; I54-P93 HydrophobicContact CD1-CG 4.32Å; I54-P93 HydrophobicContact CG2-CG 4.35Å; I54-L96 HydrophobicContact CG2-CD1 4.07Å | ||
| 55 | R | 93.9 | Very high | 85.5 | Confident | 130 Ų | 130 | 65 Ų | 65 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -73.8 | 155.4 | 174.4 | -62.4 | 170.7 | -177.1 | -172.3 | 4.5 | 110.5 | G17 D53 T57 | G17-R55 PolarHBondContact O-NH2 2.99Å; D53-R55 WeakPolarHBondContact OD1-CB 2.99Å; D53-R55 WeakPolarHBondContact OD1-CG 3.17Å; D53-R55 PolarHBondContact OD1-N 2.7Å; R55-T57 PolarHBondContact O-N 3.34Å |
| 56 | A | 93.6 | Very high | 84.3 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | trans | -69.2 | 115.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | L88 F89 D159 | A56-L88 HydrophobicContact CB-CD1 3.76Å; A56-L88 HydrophobicContact CB-CD2 4.16Å; A56-L88 HydrophobicContact CB-CG 3.87Å; A56-F89 WeakPolarHBondContact CA-O 3.17Å; A56-D159 WeakPolarHBondContact CB-OD2 3.4Å | ||
| 57 | T | 91.8 | Very high | 82.9 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.9 | -179.6 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | R55 F89 | R55-T57 PolarHBondContact O-N 3.34Å; T57-F89 PolarHBondContact N-O 2.86Å; T57-F89 WeakPolarHBondContact O-CD1 3.33Å; T57-F89 WeakPolarHBondContact O-CE1 3.4Å; T57-F89 PolarHBondContact O-N 3.4Å; T57-F89 VanDerWaalsContact OG1-CE1 3.31Å; T57-F89 WeakPolarHBondContact OG1-CE1 3.41Å; T57-F89 WeakPolarHBondContact OG1-CE2 3.33Å; T57-F89 WeakPolarHBondContact OG1-CZ 3.33Å; T57-F89 PolarHBondContact OG1-O 3.31Å |
| 58 | P | 92.1 | Very high | 81.1 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.4 | 176.5 | 31.6 | -33.5 | 0 | 0 | 0 | 110.6 | I87 L88 | P58-I87 CarbonylContact C-O 3.55Å; P58-I87 WeakPolarHBondContact CA-O 3.37Å; P58-L88 HydrophobicContact CB-CD1 4.32Å |
| 59 | R | 86.6 | Confident | 78.6 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.3 | 171.8 | -177.2 | 169.7 | -175.7 | -151.5 | -1 | 111.7 | I87 F89 D108 P113 | R59-I87 PolarHBondContact N-O 3.43Å; R59-I87 PolarHBondContact O-N 2.9Å; R59-F89 HydrophobicContact CB-CD1 4.29Å; R59-F89 HydrophobicContact CB-CE1 3.7Å; R59-D108 PolarHBondContact NH1-O 3.4Å; R59-P113 VanDerWaalsContact NH2-CG 3.35Å |
| 60 | N | 83.3 | Confident | 76.1 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.5 | 173.9 | -62 | -34.8 | 0 | 0 | 0 | 109.2 | L85 R86 | N60-L85 CarbonylContact C-O 3.57Å; N60-L85 VanDerWaalsContact CA-O 3.31Å; N60-L85 WeakPolarHBondContact CA-O 3.25Å; N60-R86 WeakPolarHBondContact OD1-CB 3.42Å; N60-R86 WeakPolarHBondContact OD1-CG 3.33Å |
| 61 | V | 79.1 | Confident | 73.5 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.9 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | L85 I87 P113 T116 | V61-L85 PolarHBondContact N-O 3.24Å; V61-L85 PolarHBondContact O-N 3.33Å; V61-I87 HydrophobicContact CG2-CD1 4.1Å; V61-P113 HydrophobicContact CG1-CB 4.48Å; V61-T116 HydrophobicContact CB-CG2 4.1Å; V61-T116 HydrophobicContact CG1-CG2 3.93Å |
| 62 | V | 72.8 | Confident | 70.3 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.3 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | T84 | V62-T84 HydrophobicContact CG2-CG2 4.16Å |
| 63 | S | 68.5 | Low | 67.3 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.9 | 174.6 | 75.2 | 0 | 0 | 0 | 0 | 109.8 | I83 N117 L120 | S63-I83 PolarHBondContact N-O 3.04Å; S63-I83 PolarHBondContact O-N 2.98Å; S63-I83 VanDerWaalsContact O-O 3.13Å; S63-I83 PolarHBondContact OG-O 3.36Å; S63-N117 WeakPolarHBondContact CB-OD1 3.27Å; S63-L120 WeakPolarHBondContact OG-CD1 2.96Å |
| 64 | I | 66 | Low | 64.6 | Low | 106 Ų | 106 | 79.5 Ų | 79.5 | 54% | 0.544 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.3 | 169.6 | -51 | 177.4 | 0 | 0 | 0 | 105.5 | ||
| 65 | T | 64.2 | Low | 61.9 | Low | 5 Ų | 5 | 88.2 Ų | 88.2 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.6 | -178.4 | -178.3 | 0 | 0 | 0 | 0 | 110 | V81 I83 K121 V124 | T65-V81 PolarHBondContact N-O 3.39Å; T65-V81 CarbonylContact O-C 3.6Å; T65-V81 WeakPolarHBondContact O-CA 3.35Å; T65-V81 PolarHBondContact O-N 3Å; T65-I83 HydrophobicContact CG2-CD1 3.68Å; T65-I83 HydrophobicContact CG2-CG1 4.3Å; T65-K121 WeakPolarHBondContact OG1-CG 3.45Å; T65-V124 HydrophobicContact CG2-CB 3.99Å; T65-V124 HydrophobicContact CG2-CG1 3.8Å; T65-V124 HydrophobicContact CG2-CG2 3.95Å |
| 66 | G | 56.2 | Low | 59.6 | Low | 4 Ų | 4 | 87 Ų | 87 | 4% | 0.041 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 145.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q79 V124 | G66-Q79 WeakPolarHBondContact CA-O 3.48Å; G66-V124 WeakPolarHBondContact O-CG1 3.33Å |
| 67 | S | 58.3 | Low | 57.2 | Low | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.007 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -62.8 | -178.2 | 160.5 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | G69 L78 Q79 | S67-G69 PolarHBondContact O-N 2.9Å; S67-L78 WeakPolarHBondContact O-CD1 3.48Å; S67-Q79 PolarHBondContact N-O 3.35Å |
| 68 | K | 54.4 | Low | 55.2 | Low | 108 Ų | 108 | 92 Ų | 92 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -19.8 | -9.9 | 179.5 | -100.4 | 171.7 | 173.6 | 145.4 | 0 | 122.1 | V124 A125 Q126 E131 | K68-V124 PolarHBondContact N-O 2.85Å; K68-A125 WeakPolarHBondContact CA-O 3.41Å; K68-A125 WeakPolarHBondContact CG-O 3.08Å; K68-Q126 WeakPolarHBondContact CE-O 3.41Å; K68-Q126 PolarHBondContact NZ-O 3.48Å; K68-E131 IonicContact NZ-OE2 3.02Å; K68-E131 PolarHBondContact NZ-OE2 3.11Å |
| 69 | G | 35.8 | Very low | 53.9 | Low | 32 Ų | 32 | 90.6 Ų | 90.6 | 33% | 0.33 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 15.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | S67 | S67-G69 PolarHBondContact O-N 2.9Š|
| 70 | E | 39.6 | Very low | 53.2 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | trans | -119.9 | 78 | 177.4 | -158.9 | -179.8 | 175.3 | 0 | 0 | 114.4 | L78 | E70-L78 HydrophobicContact CB-CD1 4.2Š| ||
| 71 | Y | 35.8 | Very low | 52.8 | Low | 212 Ų | 212 | 87.7 Ų | 87.7 | 83% | 0.831 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -159.4 | 108.4 | 138.5 | -155.1 | -105.9 | 0 | 0 | 0 | 107.9 | ||
| 72 | L | 27 | Very low | 52.8 | Low | 140 Ų | 140 | 90.7 Ų | 90.7 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 60.1 | 95.6 | 177.5 | -58.8 | 170 | 0 | 0 | 0 | 115.9 | ||
| 73 | I | 28.9 | Very low | 53.3 | Low | 142 Ų | 142 | 86.2 Ų | 86.2 | 73% | 0.728 | 42% | 0.422 | S | S | * | . | trans | 68.9 | 110.8 | 160.7 | -40.6 | 165.7 | 0 | 0 | 0 | 113.6 | ||||
| 74 | R | 36.5 | Very low | 54 | Low | 209 Ų | 209 | 87.3 Ų | 87.3 | 79% | 0.789 | 43% | 0.429 | S | S | * | . | 169 | 127.7 | 128.8 | -75.5 | -112.8 | 178.2 | -104 | -6.7 | 112.2 | |||||
| 75 | F | 36.4 | Very low | 55 | Low | 214 Ų | 214 | 82.5 Ų | 82.5 | 94% | 0.939 | 40% | 0.404 | S | S | * | . | trans | -74.3 | 116.2 | 168.7 | -63.9 | -99.4 | 0 | 0 | 0 | 109.8 | ||||
| 76 | S | 45 | Very low | 56.3 | Low | 104 Ų | 104 | 88 Ų | 88 | 73% | 0.727 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 174.1 | -22.5 | 134.1 | 80.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 77 | N | 41.9 | Very low | 58 | Low | 119 Ų | 119 | 87.8 Ų | 87.8 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | trans | -126.4 | 10.8 | -171.4 | -59.9 | -20.1 | 0 | 0 | 0 | 114.6 | Q79 | N77-Q79 PolarHBondContact O-N 3.25Š| ||
| 78 | L | 51.1 | Low | 59.7 | Low | 81 Ų | 81 | 90.2 Ų | 90.2 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | trans | -74.7 | 110.2 | 178.2 | -172.1 | 64.6 | 0 | 0 | 0 | 109.6 | S67 E70 | S67-L78 WeakPolarHBondContact O-CD1 3.48Å; E70-L78 HydrophobicContact CB-CD1 4.2Å | ||
| 79 | Q | 64.3 | Low | 61.6 | Low | 48 Ų | 48 | 85.2 Ų | 85.2 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | trans | -106.9 | 135.4 | 171.5 | -68.1 | 177.1 | 7.7 | 0 | 0 | 109.7 | G66 S67 N77 V81 F172 | G66-Q79 WeakPolarHBondContact CA-O 3.48Å; S67-Q79 PolarHBondContact N-O 3.35Å; N77-Q79 PolarHBondContact O-N 3.25Å; Q79-V81 PolarHBondContact O-N 2.95Å; Q79-F172 VanDerWaalsContact CD-CD2 3.42Å; Q79-F172 VanDerWaalsContact NE2-CE2 3.34Å; Q79-F172 VanDerWaalsContact NE2-CG 3.33Å; Q79-F172 VanDerWaalsContact OE1-CD2 3.24Å | ||
| 80 | N | 71.8 | Confident | 64.4 | Low | 97 Ų | 97 | 87.8 Ų | 87.8 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116.1 | 170.7 | -66.8 | -25.7 | 0 | 0 | 0 | 108.4 | G169 | N80-G169 PolarHBondContact O-N 3.4Å |
| 81 | V | 74.3 | Confident | 67 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.5 | 172.8 | -165.9 | 0 | 0 | 0 | 0 | 107.8 | T65 Q79 I83 M132 L166 F168 | T65-V81 PolarHBondContact N-O 3.39Å; T65-V81 CarbonylContact O-C 3.6Å; T65-V81 WeakPolarHBondContact O-CA 3.35Å; T65-V81 PolarHBondContact O-N 3Å; Q79-V81 PolarHBondContact O-N 2.95Å; V81-I83 HydrophobicContact CB-CD1 4.41Å; V81-I83 HydrophobicContact CB-CG1 4.27Å; V81-I83 HydrophobicContact CG1-CD1 3.9Å; V81-I83 HydrophobicContact CG1-CG1 3.58Å; V81-M132 HydrophobicContact CG1-CE 4.5Å; V81-M132 HydrophobicContact CG1-SD 4.41Å; V81-M132 HydrophobicContact CG2-SD 4.35Å; V81-L166 HydrophobicContact CG1-CD1 4.47Å; V81-L166 HydrophobicContact CG1-CD2 4.05Å; V81-L166 HydrophobicContact CG1-CG 3.98Å; V81-F168 HydrophobicContact CG1-CD1 4.25Å; V81-F168 HydrophobicContact CG1-CE1 4.13Å; V81-F168 HydrophobicContact CG2-CD1 3.91Å; V81-F168 HydrophobicContact CG2-CE1 4Å |
| 82 | H | 80.8 | Confident | 69.8 | Low | 71 Ų | 71 | 73.6 Ų | 73.6 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.6 | 171.3 | -67.2 | -92 | 0 | 0 | 0 | 108.1 | L166 S167 | H82-L166 WeakPolarHBondContact O-CA 3.24Å; H82-S167 VanDerWaalsContact CB-OG 3.31Å; H82-S167 WeakPolarHBondContact CB-OG 3.44Å; H82-S167 PolarHBondContact N-O 3.43Å; H82-S167 PolarHBondContact O-N 3.31Å |
| 83 | I | 82.4 | Confident | 72.9 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.6 | -174.2 | -58.4 | -177.3 | 0 | 0 | 0 | 108 | S63 T65 V81 L85 L120 V124 M132 L163 | S63-I83 PolarHBondContact N-O 3.04Å; S63-I83 PolarHBondContact O-N 2.98Å; S63-I83 VanDerWaalsContact O-O 3.13Å; S63-I83 PolarHBondContact OG-O 3.36Å; T65-I83 HydrophobicContact CG2-CD1 3.68Å; T65-I83 HydrophobicContact CG2-CG1 4.3Å; V81-I83 HydrophobicContact CB-CD1 4.41Å; V81-I83 HydrophobicContact CB-CG1 4.27Å; V81-I83 HydrophobicContact CG1-CD1 3.9Å; V81-I83 HydrophobicContact CG1-CG1 3.58Å; I83-L85 HydrophobicContact CG2-CD2 4.31Å; I83-L85 HydrophobicContact CG2-CG 4.31Å; I83-L120 HydrophobicContact CG2-CD1 4.15Å; I83-L120 HydrophobicContact CG2-CD2 3.99Å; I83-V124 HydrophobicContact CD1-CB 4.47Å; I83-V124 HydrophobicContact CD1-CG1 4.33Å; I83-V124 HydrophobicContact CD1-CG2 3.35Å; I83-M132 HydrophobicContact CD1-CE 3.94Å; I83-L163 HydrophobicContact CG2-CD1 3.33Å |
| 84 | T | 83.7 | Confident | 75.9 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.6 | 171.1 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | V62 T164 H165 | V62-T84 HydrophobicContact CG2-CG2 4.16Å; T84-T164 WeakPolarHBondContact CB-OG1 3.43Å; T84-T164 WeakPolarHBondContact CG2-OG1 3.43Å; T84-T164 PolarHBondContact O-N 3.21Å; T84-T164 PolarHBondContact O-OG1 2.77Å; T84-H165 PolarHBondContact N-O 3.15Å; T84-H165 PolarHBondContact O-N 3.27Å |
| 85 | L | 87.4 | Confident | 78.6 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.1 | 171.8 | -70.7 | -172.2 | 0 | 0 | 0 | 110.5 | N60 V61 I83 I87 T116 L120 V143 I161 L163 | N60-L85 CarbonylContact C-O 3.57Å; N60-L85 VanDerWaalsContact CA-O 3.31Å; N60-L85 WeakPolarHBondContact CA-O 3.25Å; V61-L85 PolarHBondContact N-O 3.24Å; V61-L85 PolarHBondContact O-N 3.33Å; I83-L85 HydrophobicContact CG2-CD2 4.31Å; I83-L85 HydrophobicContact CG2-CG 4.31Å; L85-I87 HydrophobicContact CB-CG1 4.39Å; L85-T116 HydrophobicContact CD1-CG2 3.67Å; L85-L120 HydrophobicContact CD1-CD1 3.57Å; L85-L120 HydrophobicContact CD1-CD2 3.6Å; L85-L120 HydrophobicContact CD1-CG 3.68Å; L85-L120 HydrophobicContact CD2-CD2 4.29Å; L85-L120 HydrophobicContact CG-CD1 3.81Å; L85-L120 HydrophobicContact CG-CD2 4Å; L85-L120 HydrophobicContact CG-CG 4.3Å; L85-V143 HydrophobicContact CD1-CG1 3.86Å; L85-I161 HydrophobicContact CD1-CG2 4.4Å; L85-L163 HydrophobicContact CD2-CB 3.97Å; L85-L163 HydrophobicContact CD2-CD1 3.85Å |
| 86 | R | 90.9 | Very high | 81.3 | Confident | 120 Ų | 120 | 51.9 Ų | 51.9 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125 | 164.2 | 176.1 | 178.4 | -179.5 | 139.2 | 1 | 108 | N60 S162 T164 | N60-R86 WeakPolarHBondContact OD1-CB 3.42Å; N60-R86 WeakPolarHBondContact OD1-CG 3.33Å; R86-S162 PolarHBondContact N-O 2.99Å; R86-S162 PolarHBondContact O-N 3.25Å; R86-S162 PolarHBondContact O-OG 3.02Å; R86-T164 HydrophobicContact CB-CG2 3.59Å |
| 87 | I | 92.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.7 | -177 | -58.8 | 167.1 | 0 | 0 | 0 | 107.6 | P58 R59 V61 L85 F89 T116 L147 L158 I161 | P58-I87 CarbonylContact C-O 3.55Å; P58-I87 WeakPolarHBondContact CA-O 3.37Å; R59-I87 PolarHBondContact N-O 3.43Å; R59-I87 PolarHBondContact O-N 2.9Å; V61-I87 HydrophobicContact CG2-CD1 4.1Å; L85-I87 HydrophobicContact CB-CG1 4.39Å; I87-F89 HydrophobicContact CG2-CB 4.26Å; I87-T116 HydrophobicContact CD1-CG2 3.95Å; I87-T116 VanDerWaalsContact CD1-OG1 3.31Å; I87-T116 WeakPolarHBondContact CD1-OG1 3.38Å; I87-L147 HydrophobicContact CD1-CD2 3.88Å; I87-L147 HydrophobicContact CG1-CD2 4.37Å; I87-L158 HydrophobicContact CG2-CD2 3.7Å; I87-I161 HydrophobicContact CG1-CG2 4.38Å; I87-I161 HydrophobicContact CG2-CG1 4.37Å |
| 88 | L | 93.9 | Very high | 86 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.7 | 168.3 | -174.2 | 66.3 | 0 | 0 | 0 | 107.9 | A56 P58 L158 D159 D160 | A56-L88 HydrophobicContact CB-CD1 3.76Å; A56-L88 HydrophobicContact CB-CD2 4.16Å; A56-L88 HydrophobicContact CB-CG 3.87Å; P58-L88 HydrophobicContact CB-CD1 4.32Å; L88-L158 CarbonylContact O-C 3.59Å; L88-L158 WeakPolarHBondContact O-CA 3.31Å; L88-D159 HydrophobicContact CD2-CB 4.05Å; L88-D159 HydrophobicContact CG-CB 4.23Å; L88-D159 PolarHBondContact O-N 3.23Å; L88-D160 HydrophobicContact CB-CB 4.07Å; L88-D160 HydrophobicContact CD2-CB 4.39Å; L88-D160 PolarHBondContact N-O 3.42Å; L88-D160 PolarHBondContact O-N 2.88Å |
| 89 | F | 94.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.8 | -173.6 | 72.2 | -82.2 | 0 | 0 | 0 | 112.2 | A56 T57 R59 I87 Y107 D108 L112 I156 I157 L158 | A56-F89 WeakPolarHBondContact CA-O 3.17Å; T57-F89 PolarHBondContact N-O 2.86Å; T57-F89 WeakPolarHBondContact O-CD1 3.33Å; T57-F89 WeakPolarHBondContact O-CE1 3.4Å; T57-F89 PolarHBondContact O-N 3.4Å; T57-F89 VanDerWaalsContact OG1-CE1 3.31Å; T57-F89 WeakPolarHBondContact OG1-CE1 3.41Å; T57-F89 WeakPolarHBondContact OG1-CE2 3.33Å; T57-F89 WeakPolarHBondContact OG1-CZ 3.33Å; T57-F89 PolarHBondContact OG1-O 3.31Å; R59-F89 HydrophobicContact CB-CD1 4.29Å; R59-F89 HydrophobicContact CB-CE1 3.7Å; I87-F89 HydrophobicContact CG2-CB 4.26Å; F89-Y107 HydrophobicContact CE2-CE2 4.23Å; F89-D108 HydrophobicContact CE2-CB 3.58Å; F89-D108 HydrophobicContact CZ-CB 3.54Å; F89-L112 HydrophobicContact CD1-CD1 3.55Å; F89-L112 HydrophobicContact CD2-CD1 3.92Å; F89-L112 HydrophobicContact CE1-CD1 3.54Å; F89-L112 HydrophobicContact CE2-CD1 3.9Å; F89-L112 HydrophobicContact CG-CD1 3.75Å; F89-L112 HydrophobicContact CZ-CD1 3.71Å; F89-I156 HydrophobicContact CB-CG2 4Å; F89-I156 HydrophobicContact CD2-CG2 4.23Å; F89-I157 CarbonylContact C-O 3.56Å; F89-I157 VanDerWaalsContact CA-O 3.3Å; F89-I157 WeakPolarHBondContact CA-O 3.47Å; F89-L158 HydrophobicContact CB-CD2 3.56Å |
| 90 | R | 94.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 45.5 Ų | 45.5 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.4 | 170.5 | 61.1 | -173.9 | 174 | 100.4 | 0.4 | 110.7 | I157 D159 | R90-I157 HydrophobicContact CG-CB 3.96Å; R90-I157 HydrophobicContact CG-CG2 4.36Å; R90-I157 PolarHBondContact N-O 3.17Å; R90-I157 PolarHBondContact O-N 3.15Å; R90-D159 VanDerWaalsContact CD-OD2 3.25Å; R90-D159 WeakPolarHBondContact CD-OD2 3.13Å; R90-D159 IonicContact CZ-OD1 3.9Å; R90-D159 IonicContact NE-OD1 4Å; R90-D159 PolarHBondContact NE-OD1 3.22Å; R90-D159 IonicContact NE-OD2 3.25Å; R90-D159 PolarHBondContact NE-OD2 2.55Å; R90-D159 IonicContact NH2-OD1 3.6Å; R90-D159 PolarHBondContact NH2-OD1 3.27Å |
| 91 | P | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 150 | 176.4 | 31.6 | -33.3 | 0 | 0 | 0 | 111.3 | D53 I54 P93 L96 I99 Y107 | D53-P91 WeakPolarHBondContact O-CG 3.44Å; I54-P91 HydrophobicContact CG2-CG 4.25Å; P91-P93 WeakPolarHBondContact O-CD 3.17Å; P91-L96 HydrophobicContact CB-CD2 3.69Å; P91-L96 HydrophobicContact CG-CD2 3.92Å; P91-I99 HydrophobicContact CB-CD1 4.34Å; P91-Y107 HydrophobicContact CB-CE2 4.29Å; P91-Y107 WeakPolarHBondContact CD-OH 3.31Å; P91-Y107 WeakPolarHBondContact CG-OH 3.09Å |
| 92 | V | 94 | Very high | 90.9 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | trans | -72.5 | 117 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | E94 K95 L96 G155 I157 | V92-E94 HydrophobicContact CG1-CB 4.39Å; V92-E94 WeakPolarHBondContact CG1-OE2 3.47Å; V92-E94 PolarHBondContact O-N 3.17Å; V92-E94 VanDerWaalsContact O-N 3.15Å; V92-K95 HydrophobicContact CB-CB 4.21Å; V92-K95 HydrophobicContact CB-CD 4.3Å; V92-K95 HydrophobicContact CB-CG 4.36Å; V92-K95 HydrophobicContact CG1-CB 4.35Å; V92-K95 HydrophobicContact CG1-CD 4.29Å; V92-K95 HydrophobicContact CG1-CG 4.1Å; V92-K95 PolarHBondContact O-N 3.03Å; V92-L96 PolarHBondContact O-N 2.88Å; V92-G155 WeakPolarHBondContact CB-O 3.35Å; V92-G155 VanDerWaalsContact CG2-O 3.28Å; V92-G155 WeakPolarHBondContact CG2-O 3.27Å; V92-G155 PolarHBondContact N-O 2.8Å; V92-I157 HydrophobicContact CG2-CD1 3.73Å; V92-I157 HydrophobicContact CG2-CG1 3.6Å | ||
| 93 | P | 92.1 | Very high | 91.3 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -52.9 | -40.6 | -175.9 | -29 | 36.8 | 0 | 0 | 0 | 113.3 | R20 V34 I54 P91 K95 L96 | R20-P93 HydrophobicContact CG-CB 4.39Å; V34-P93 WeakPolarHBondContact CG2-O 3.26Å; I54-P93 HydrophobicContact CD1-CG 4.32Å; I54-P93 HydrophobicContact CG2-CG 4.35Å; P91-P93 WeakPolarHBondContact O-CD 3.17Å; P93-K95 VanDerWaalsContact C-N 3.28Å; P93-K95 PolarHBondContact O-N 2.87Å; P93-L96 WeakPolarHBondContact O-CG 3.3Å; P93-L96 PolarHBondContact O-N 3.37Å |
| 94 | E | 92.4 | Very high | 91.6 | Very high | 144 Ų | 144 | 49.9 Ų | 49.9 | 67% | 0.673 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -70.7 | -22.5 | -176 | -58.7 | 71.1 | -151.8 | 0 | 0 | 113 | V92 | V92-E94 HydrophobicContact CG1-CB 4.39Å; V92-E94 WeakPolarHBondContact CG1-OE2 3.47Å; V92-E94 PolarHBondContact O-N 3.17Å; V92-E94 VanDerWaalsContact O-N 3.15Å |
| 95 | K | 92.3 | Very high | 91.8 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -98.3 | -3.7 | -178 | -67.5 | -180 | 177.5 | 178.9 | 0 | 113.1 | V92 P93 P97 K98 I99 S152 G155 | V92-K95 HydrophobicContact CB-CB 4.21Å; V92-K95 HydrophobicContact CB-CD 4.3Å; V92-K95 HydrophobicContact CB-CG 4.36Å; V92-K95 HydrophobicContact CG1-CB 4.35Å; V92-K95 HydrophobicContact CG1-CD 4.29Å; V92-K95 HydrophobicContact CG1-CG 4.1Å; V92-K95 PolarHBondContact O-N 3.03Å; P93-K95 VanDerWaalsContact C-N 3.28Å; P93-K95 PolarHBondContact O-N 2.87Å; K95-P97 VanDerWaalsContact C-CD 3.41Å; K95-P97 VanDerWaalsContact C-N 3.34Å; K95-K98 WeakPolarHBondContact O-CB 3.28Å; K95-K98 PolarHBondContact O-N 3.2Å; K95-I99 HydrophobicContact CB-CD1 4.39Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 2.86Å; K95-S152 PolarHBondContact NZ-O 2.88Å; K95-G155 VanDerWaalsContact CD-CA 3.48Å |
| 96 | L | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.1 | -42 | -179.8 | -71.5 | 174.5 | 0 | 0 | 0 | 114.5 | R20 V22 V34 F52 I54 P91 V92 P93 K98 I99 Y100 | R20-L96 HydrophobicContact CB-CD1 3.55Å; R20-L96 HydrophobicContact CG-CD1 4.28Å; V22-L96 HydrophobicContact CG2-CB 3.65Å; V34-L96 HydrophobicContact CG1-CD1 4.13Å; V34-L96 HydrophobicContact CG2-CB 4.33Å; F52-L96 HydrophobicContact CB-CD1 4.13Å; F52-L96 HydrophobicContact CB-CD2 3.99Å; F52-L96 HydrophobicContact CD1-CD2 4.14Å; F52-L96 HydrophobicContact CD2-CD2 4.39Å; F52-L96 HydrophobicContact CG-CD2 3.92Å; I54-L96 HydrophobicContact CG2-CD1 4.07Å; P91-L96 HydrophobicContact CB-CD2 3.69Å; P91-L96 HydrophobicContact CG-CD2 3.92Å; V92-L96 PolarHBondContact O-N 2.88Å; P93-L96 WeakPolarHBondContact O-CG 3.3Å; P93-L96 PolarHBondContact O-N 3.37Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 2.97Å; L96-I99 PolarHBondContact O-N 2.64Å; L96-Y100 WeakPolarHBondContact O-CB 3.38Å; L96-Y100 PolarHBondContact O-N 2.8Å |
| 97 | P | 92.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.9 | -24.4 | 36.2 | 0 | 0 | 0 | 112.7 | V22 V30 V34 K95 T101 | V22-P97 HydrophobicContact CG1-CB 4.36Å; V22-P97 HydrophobicContact CG1-CG 4.46Å; V22-P97 HydrophobicContact CG2-CG 4.38Å; V30-P97 HydrophobicContact CG1-CB 3.97Å; V34-P97 VanDerWaalsContact CG2-CD 3.42Å; V34-P97 HydrophobicContact CG2-CG 3.48Å; V34-P97 VanDerWaalsContact CG2-CG 3.48Å; K95-P97 VanDerWaalsContact C-CD 3.41Å; K95-P97 VanDerWaalsContact C-N 3.34Å; P97-T101 WeakPolarHBondContact O-CB 3.23Å; P97-T101 PolarHBondContact O-N 3.07Å; P97-T101 PolarHBondContact O-OG1 3.11Å |
| 98 | K | 92.4 | Very high | 91.4 | Very high | 147 Ų | 147 | 52.5 Ų | 52.5 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71.2 | -40.4 | 176.9 | -67.7 | -176.7 | 177 | -179.6 | 0 | 111.3 | K95 L96 T101 N102 | K95-K98 WeakPolarHBondContact O-CB 3.28Å; K95-K98 PolarHBondContact O-N 3.2Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 2.97Å; K98-T101 PolarHBondContact O-N 3.41Å; K98-N102 WeakPolarHBondContact O-CB 3.48Å; K98-N102 PolarHBondContact O-N 3.22Å |
| 99 | I | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.3 | -66.8 | 170.4 | 0 | 0 | 0 | 110 | P91 K95 L96 T101 N102 I103 G104 Y107 | P91-I99 HydrophobicContact CB-CD1 4.34Å; K95-I99 HydrophobicContact CB-CD1 4.39Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 2.86Å; L96-I99 PolarHBondContact O-N 2.64Å; I99-T101 VanDerWaalsContact C-N 3.35Å; I99-T101 PolarHBondContact O-N 2.86Å; I99-N102 PolarHBondContact O-N 3.18Å; I99-I103 HydrophobicContact CG2-CD1 4.24Å; I99-I103 PolarHBondContact O-N 2.8Å; I99-G104 PolarHBondContact O-N 3.12Å; I99-Y107 VanDerWaalsContact CG2-CB 3.45Å; I99-Y107 HydrophobicContact CG2-CD1 3.89Å; I99-Y107 HydrophobicContact CG2-CD2 4.15Å; I99-Y107 HydrophobicContact CG2-CG 3.54Å |
| 100 | Y | 92 | Very high | 90.7 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.4 | -179.7 | -117.7 | 0 | 0 | 0 | 112.6 | V22 F24 V30 V50 F52 L96 G104 T105 | V22-Y100 HydrophobicContact CG1-CD1 4.23Å; F24-Y100 HydrophobicContact CB-CE1 4.45Å; F24-Y100 HydrophobicContact CD2-CE1 4.27Å; V30-Y100 HydrophobicContact CG1-CD1 4.1Å; V30-Y100 HydrophobicContact CG2-CD1 3.56Å; V30-Y100 HydrophobicContact CG2-CE1 3.71Å; V50-Y100 HydrophobicContact CG1-CD2 4.28Å; V50-Y100 HydrophobicContact CG1-CE2 4.07Å; V50-Y100 HydrophobicContact CG2-CE1 4.25Å; V50-Y100 HydrophobicContact CG2-CE2 4.13Å; F52-Y100 HydrophobicContact CE2-CD2 4.32Å; F52-Y100 HydrophobicContact CE2-CG 4.38Å; F52-Y100 AromaticContact CZ-CD2 3.84Å; F52-Y100 HydrophobicContact CZ-CD2 3.84Å; F52-Y100 HydrophobicContact CZ-CG 4.17Å; L96-Y100 WeakPolarHBondContact O-CB 3.38Å; L96-Y100 PolarHBondContact O-N 2.8Å; Y100-G104 PolarHBondContact O-N 3.48Å; Y100-T105 HydrophobicContact CD2-CG2 4.04Å; Y100-T105 HydrophobicContact CE2-CG2 3.85Å |
| 101 | T | 90.7 | Very high | 90.5 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.1 | -40.7 | -179.4 | -55 | 0 | 0 | 0 | 0 | 112.5 | P97 K98 I99 | P97-T101 WeakPolarHBondContact O-CB 3.23Å; P97-T101 PolarHBondContact O-N 3.07Å; P97-T101 PolarHBondContact O-OG1 3.11Å; K98-T101 PolarHBondContact O-N 3.41Å; I99-T101 VanDerWaalsContact C-N 3.35Å; I99-T101 PolarHBondContact O-N 2.86Å |
| 102 | N | 90.8 | Very high | 90.2 | Very high | 128 Ų | 128 | 60.2 Ų | 60.2 | 68% | 0.684 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -89.5 | -34.6 | -172.4 | -69.1 | -13.8 | 0 | 0 | 0 | 113.5 | K98 I99 | K98-N102 WeakPolarHBondContact O-CB 3.48Å; K98-N102 PolarHBondContact O-N 3.22Å; I99-N102 PolarHBondContact O-N 3.18Å |
| 103 | I | 88.8 | Confident | 89.9 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -48.9 | -171.8 | -55.6 | 116.2 | 0 | 0 | 0 | 111.2 | I99 R110 I111 | I99-I103 HydrophobicContact CG2-CD1 4.24Å; I99-I103 PolarHBondContact O-N 2.8Å; I103-R110 HydrophobicContact CG2-CB 4.09Å; I103-R110 HydrophobicContact CG2-CG 4.43Å; I103-I111 HydrophobicContact CB-CD1 4.26Å; I103-I111 HydrophobicContact CD1-CD1 3.34Å; I103-I111 HydrophobicContact CD1-CG1 4.4Å; I103-I111 HydrophobicContact CG1-CD1 3.55Å; I103-I111 HydrophobicContact CG1-CG1 4.11Å; I103-I111 HydrophobicContact CG2-CD1 4.05Å; I103-I111 HydrophobicContact CG2-CG1 4.07Å |
| 104 | G | 89.4 | Confident | 89.7 | Confident | 15 Ų | 15 | 63 Ų | 63 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | trans | 123 | -166.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I99 Y100 | I99-G104 PolarHBondContact O-N 3.12Å; Y100-G104 PolarHBondContact O-N 3.48Å | ||
| 105 | T | 87.3 | Confident | 89.6 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -76.8 | -29.7 | 174.2 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | V50 F52 Y100 Y107 | V50-T105 HydrophobicContact CG1-CG2 3.7Å; F52-T105 HydrophobicContact CZ-CG2 4.19Å; Y100-T105 HydrophobicContact CD2-CG2 4.04Å; Y100-T105 HydrophobicContact CE2-CG2 3.85Å; T105-Y107 WeakPolarHBondContact O-CD1 3.45Å; T105-Y107 PolarHBondContact O-N 3.4Å; T105-Y107 VanDerWaalsContact O-N 3.15Å |
| 106 | D | 88.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | trans | -83.1 | 36.3 | 177.8 | 61.2 | -42.8 | 0 | 0 | 0 | 112.2 | D108 E109 R110 | D106-D108 VanDerWaalsContact C-N 3.28Å; D106-D108 PolarHBondContact O-N 3.25Å; D106-E109 HydrophobicContact CB-CB 4.43Å; D106-E109 PolarHBondContact O-N 2.82Å; D106-R110 PolarHBondContact O-N 3.23Å; D106-R110 VanDerWaalsContact O-N 3.17Å | ||
| 107 | Y | 88 | Confident | 89.1 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -35.6 | -173.3 | 72 | -90 | 0 | 0 | 0 | 112.4 | F52 F89 P91 I99 T105 I111 I156 | F52-Y107 HydrophobicContact CD1-CD1 4.43Å; F52-Y107 HydrophobicContact CD1-CE1 4.06Å; F52-Y107 HydrophobicContact CE1-CD1 4.1Å; F52-Y107 HydrophobicContact CE1-CE1 4.19Å; F89-Y107 HydrophobicContact CE2-CE2 4.23Å; P91-Y107 HydrophobicContact CB-CE2 4.29Å; P91-Y107 WeakPolarHBondContact CD-OH 3.31Å; P91-Y107 WeakPolarHBondContact CG-OH 3.09Å; I99-Y107 VanDerWaalsContact CG2-CB 3.45Å; I99-Y107 HydrophobicContact CG2-CD1 3.89Å; I99-Y107 HydrophobicContact CG2-CD2 4.15Å; I99-Y107 HydrophobicContact CG2-CG 3.54Å; T105-Y107 WeakPolarHBondContact O-CD1 3.45Å; T105-Y107 PolarHBondContact O-N 3.4Å; T105-Y107 VanDerWaalsContact O-N 3.15Å; Y107-I111 VanDerWaalsContact O-CB 3.27Å; Y107-I111 WeakPolarHBondContact O-CB 3.36Å; Y107-I111 WeakPolarHBondContact O-CG1 3.31Å; Y107-I111 PolarHBondContact O-N 3.01Å; Y107-I156 HydrophobicContact CD2-CD1 4.05Å; Y107-I156 HydrophobicContact CD2-CG1 4.16Å; Y107-I156 HydrophobicContact CE2-CD1 4.35Å; Y107-I156 HydrophobicContact CE2-CG1 4.13Å |
| 108 | D | 86 | Confident | 88.8 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -52.2 | 177.1 | 66.7 | -43.6 | 0 | 0 | 0 | 108.9 | R59 F89 D106 R110 L112 P113 | R59-D108 PolarHBondContact NH1-O 3.4Å; F89-D108 HydrophobicContact CE2-CB 3.58Å; F89-D108 HydrophobicContact CZ-CB 3.54Å; D106-D108 VanDerWaalsContact C-N 3.28Å; D106-D108 PolarHBondContact O-N 3.25Å; D108-R110 PolarHBondContact O-N 2.87Å; D108-L112 HydrophobicContact CB-CD1 3.94Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 PolarHBondContact O-N 3.01Å; D108-P113 WeakPolarHBondContact O-CD 3.46Å |
| 109 | E | 86.5 | Confident | 88.6 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.6 | -37.3 | -178.7 | -70.9 | -166.2 | 169.6 | 0 | 0 | 113.3 | D106 P113 | D106-E109 HydrophobicContact CB-CB 4.43Å; D106-E109 PolarHBondContact O-N 2.82Å; E109-P113 WeakPolarHBondContact O-CD 3.08Å; E109-P113 VanDerWaalsContact O-CG 3.26Å; E109-P113 WeakPolarHBondContact O-CG 3.31Å |
| 110 | R | 86.8 | Confident | 88.3 | Confident | 161 Ų | 161 | 52.6 Ų | 52.6 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -87.9 | -43.2 | -176 | -165.3 | 167.6 | -177 | -179.1 | 3.3 | 114 | I103 D106 D108 | I103-R110 HydrophobicContact CG2-CB 4.09Å; I103-R110 HydrophobicContact CG2-CG 4.43Å; D106-R110 PolarHBondContact O-N 3.23Å; D106-R110 VanDerWaalsContact O-N 3.17Å; D108-R110 PolarHBondContact O-N 2.87Å |
| 111 | I | 89 | Confident | 87.9 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -84.3 | -50.7 | -173.2 | -62.4 | 168.1 | 0 | 0 | 0 | 111 | I103 Y107 S114 I115 F154 I156 | I103-I111 HydrophobicContact CB-CD1 4.26Å; I103-I111 HydrophobicContact CD1-CD1 3.34Å; I103-I111 HydrophobicContact CD1-CG1 4.4Å; I103-I111 HydrophobicContact CG1-CD1 3.55Å; I103-I111 HydrophobicContact CG1-CG1 4.11Å; I103-I111 HydrophobicContact CG2-CD1 4.05Å; I103-I111 HydrophobicContact CG2-CG1 4.07Å; Y107-I111 VanDerWaalsContact O-CB 3.27Å; Y107-I111 WeakPolarHBondContact O-CB 3.36Å; Y107-I111 WeakPolarHBondContact O-CG1 3.31Å; Y107-I111 PolarHBondContact O-N 3.01Å; I111-S114 WeakPolarHBondContact O-CB 3.22Å; I111-S114 PolarHBondContact O-N 2.99Å; I111-S114 VanDerWaalsContact O-N 3.09Å; I111-I115 HydrophobicContact CG2-CD1 4.12Å; I111-I115 HydrophobicContact CG2-CG1 4.35Å; I111-I115 HydrophobicContact CG2-CG2 3.94Å; I111-I115 WeakPolarHBondContact O-CG1 3.04Å; I111-I115 PolarHBondContact O-N 2.91Å; I111-F154 HydrophobicContact CD1-CB 4.07Å; I111-F154 HydrophobicContact CD1-CD1 4.08Å; I111-F154 HydrophobicContact CD1-CG 4.25Å; I111-F154 HydrophobicContact CG1-CD1 4.48Å; I111-F154 HydrophobicContact CG2-CB 4.16Å; I111-F154 HydrophobicContact CG2-CD1 4.25Å; I111-F154 HydrophobicContact CG2-CD2 3.9Å; I111-F154 HydrophobicContact CG2-CE2 4.38Å; I111-F154 HydrophobicContact CG2-CG 3.83Å; I111-I156 HydrophobicContact CB-CD1 4.25Å; I111-I156 HydrophobicContact CD1-CD1 4.16Å; I111-I156 HydrophobicContact CG2-CD1 3.99Å |
| 112 | L | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | -168.9 | -66.7 | 174.7 | 0 | 0 | 0 | 112.4 | F89 D108 S114 I115 T116 I156 L158 | F89-L112 HydrophobicContact CD1-CD1 3.55Å; F89-L112 HydrophobicContact CD2-CD1 3.92Å; F89-L112 HydrophobicContact CE1-CD1 3.54Å; F89-L112 HydrophobicContact CE2-CD1 3.9Å; F89-L112 HydrophobicContact CG-CD1 3.75Å; F89-L112 HydrophobicContact CZ-CD1 3.71Å; D108-L112 HydrophobicContact CB-CD1 3.94Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 PolarHBondContact O-N 3.01Å; L112-S114 VanDerWaalsContact C-N 3.28Å; L112-S114 PolarHBondContact O-N 3.35Å; L112-I115 HydrophobicContact CD2-CD1 4.31Å; L112-I115 WeakPolarHBondContact O-CG1 3.41Å; L112-T116 WeakPolarHBondContact O-CB 3.32Å; L112-T116 PolarHBondContact O-N 2.61Å; L112-T116 PolarHBondContact O-OG1 2.85Å; L112-I156 HydrophobicContact CD2-CD1 4.3Å; L112-I156 HydrophobicContact CD2-CG2 4.42Å; L112-L158 HydrophobicContact CD2-CD2 4.31Å |
| 113 | P | 87.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 179.2 | -22.8 | 36.5 | 0 | 0 | 0 | 112.3 | R59 V61 D108 E109 N117 | R59-P113 VanDerWaalsContact NH2-CG 3.35Å; V61-P113 HydrophobicContact CG1-CB 4.48Å; D108-P113 WeakPolarHBondContact O-CD 3.46Å; E109-P113 WeakPolarHBondContact O-CD 3.08Å; E109-P113 VanDerWaalsContact O-CG 3.26Å; E109-P113 WeakPolarHBondContact O-CG 3.31Å; P113-N117 WeakPolarHBondContact O-CB 3.37Å; P113-N117 PolarHBondContact O-N 3.1Å; P113-N117 PolarHBondContact O-ND2 3.04Å |
| 114 | S | 88.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 53% | 0.531 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.7 | -54 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | I111 L112 T116 N117 E118 | I111-S114 WeakPolarHBondContact O-CB 3.22Å; I111-S114 PolarHBondContact O-N 2.99Å; I111-S114 VanDerWaalsContact O-N 3.09Å; L112-S114 VanDerWaalsContact C-N 3.28Å; L112-S114 PolarHBondContact O-N 3.35Å; S114-T116 VanDerWaalsContact C-N 3.32Å; S114-T116 PolarHBondContact O-N 3.45Å; S114-N117 PolarHBondContact O-N 2.87Å; S114-E118 WeakPolarHBondContact O-CB 3.19Å; S114-E118 PolarHBondContact O-N 3.09Å |
| 115 | I | 90.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -34.7 | -178.7 | 64.6 | 170.9 | 0 | 0 | 0 | 111.6 | I111 L112 E118 V119 L147 R150 A151 F154 | I111-I115 HydrophobicContact CG2-CD1 4.12Å; I111-I115 HydrophobicContact CG2-CG1 4.35Å; I111-I115 HydrophobicContact CG2-CG2 3.94Å; I111-I115 WeakPolarHBondContact O-CG1 3.04Å; I111-I115 PolarHBondContact O-N 2.91Å; L112-I115 HydrophobicContact CD2-CD1 4.31Å; L112-I115 WeakPolarHBondContact O-CG1 3.41Å; I115-E118 PolarHBondContact O-N 3.04Å; I115-V119 WeakPolarHBondContact O-CB 3.15Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 3.47Å; I115-L147 HydrophobicContact CB-CD1 4.29Å; I115-L147 HydrophobicContact CD1-CD1 3.99Å; I115-L147 HydrophobicContact CG1-CD1 3.85Å; I115-R150 HydrophobicContact CB-CG 3.86Å; I115-R150 HydrophobicContact CG2-CG 3.8Å; I115-A151 HydrophobicContact CD1-CB 3.9Å; I115-F154 HydrophobicContact CG2-CD2 4.13Å; I115-F154 HydrophobicContact CG2-CE2 3.65Å; I115-F154 HydrophobicContact CG2-CZ 4.4Å |
| 116 | T | 88.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | V61 L85 I87 L112 S114 E118 L120 | V61-T116 HydrophobicContact CB-CG2 4.1Å; V61-T116 HydrophobicContact CG1-CG2 3.93Å; L85-T116 HydrophobicContact CD1-CG2 3.67Å; I87-T116 HydrophobicContact CD1-CG2 3.95Å; I87-T116 VanDerWaalsContact CD1-OG1 3.31Å; I87-T116 WeakPolarHBondContact CD1-OG1 3.38Å; L112-T116 WeakPolarHBondContact O-CB 3.32Å; L112-T116 PolarHBondContact O-N 2.61Å; L112-T116 PolarHBondContact O-OG1 2.85Å; S114-T116 VanDerWaalsContact C-N 3.32Å; S114-T116 PolarHBondContact O-N 3.45Å; T116-E118 VanDerWaalsContact C-N 3.35Å; T116-L120 HydrophobicContact CG2-CD1 3.78Å; T116-L120 HydrophobicContact CG2-CG 4.24Å; T116-L120 WeakPolarHBondContact O-CB 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.5Å |
| 117 | N | 86.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 176 | -74.2 | -28.8 | 0 | 0 | 0 | 112 | S63 P113 S114 K121 | S63-N117 WeakPolarHBondContact CB-OD1 3.27Å; P113-N117 WeakPolarHBondContact O-CB 3.37Å; P113-N117 PolarHBondContact O-N 3.1Å; P113-N117 PolarHBondContact O-ND2 3.04Å; S114-N117 PolarHBondContact O-N 2.87Å; N117-K121 WeakPolarHBondContact O-CB 3.45Å; N117-K121 WeakPolarHBondContact O-CG 3.03Å; N117-K121 PolarHBondContact O-N 3.33Å |
| 118 | E | 86.4 | Confident | 86 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.2 | -53.2 | 176.4 | -175.8 | -176.6 | -175.6 | 0 | 0 | 111.2 | S114 I115 T116 K121 A122 R150 | S114-E118 WeakPolarHBondContact O-CB 3.19Å; S114-E118 PolarHBondContact O-N 3.09Å; I115-E118 PolarHBondContact O-N 3.04Å; T116-E118 VanDerWaalsContact C-N 3.35Å; E118-K121 PolarHBondContact O-N 2.85Å; E118-A122 PolarHBondContact O-N 2.83Å; E118-R150 IonicContact OE1-CZ 3.22Å; E118-R150 IonicContact OE1-NE 2.98Å; E118-R150 IonicContact OE1-NH2 3.58Å; E118-R150 PolarHBondContact OE1-NH2 2.92Å; E118-R150 VanDerWaalsContact OE1-NH2 3.11Å; E118-R150 IonicContact OE2-CZ 3.41Å; E118-R150 IonicContact OE2-NE 3.89Å; E118-R150 PolarHBondContact OE2-NE 3.03Å; E118-R150 IonicContact OE2-NH2 2.86Å; E118-R150 PolarHBondContact OE2-NH2 3.33Å |
| 119 | V | 88.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -43.4 | -178.5 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | I115 K121 A122 V123 E146 L147 R150 | I115-V119 WeakPolarHBondContact O-CB 3.15Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 3.47Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 3.48Å; V119-A122 PolarHBondContact O-N 3.48Å; V119-A122 VanDerWaalsContact O-N 3.14Å; V119-V123 HydrophobicContact CG1-CG2 4.13Å; V119-V123 WeakPolarHBondContact O-CG2 3.4Å; V119-V123 PolarHBondContact O-N 2.92Å; V119-E146 HydrophobicContact CG1-CB 3.61Å; V119-E146 HydrophobicContact CG2-CB 4.48Å; V119-L147 HydrophobicContact CB-CD1 4.18Å; V119-L147 HydrophobicContact CG1-CB 4.14Å; V119-L147 HydrophobicContact CG2-CD1 4.02Å; V119-R150 HydrophobicContact CG2-CB 4.36Å |
| 120 | L | 86.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 176.4 | -80.8 | 176.6 | 0 | 0 | 0 | 111.3 | S63 I83 L85 T116 A122 V123 V124 V143 | S63-L120 WeakPolarHBondContact OG-CD1 2.96Å; I83-L120 HydrophobicContact CG2-CD1 4.15Å; I83-L120 HydrophobicContact CG2-CD2 3.99Å; L85-L120 HydrophobicContact CD1-CD1 3.57Å; L85-L120 HydrophobicContact CD1-CD2 3.6Å; L85-L120 HydrophobicContact CD1-CG 3.68Å; L85-L120 HydrophobicContact CD2-CD2 4.29Å; L85-L120 HydrophobicContact CG-CD1 3.81Å; L85-L120 HydrophobicContact CG-CD2 4Å; L85-L120 HydrophobicContact CG-CG 4.3Å; T116-L120 HydrophobicContact CG2-CD1 3.78Å; T116-L120 HydrophobicContact CG2-CG 4.24Å; T116-L120 WeakPolarHBondContact O-CB 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.5Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.39Å; L120-V123 PolarHBondContact O-N 3.34Å; L120-V124 WeakPolarHBondContact O-CB 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 2.82Å; L120-V143 HydrophobicContact CD2-CG1 4.19Å; L120-V143 HydrophobicContact CD2-CG2 4Å |
| 121 | K | 83 | Confident | 85.1 | Confident | 97 Ų | 97 | 35.5 Ų | 35.5 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 174.8 | -76.2 | 177.2 | 176.9 | -157.2 | 0 | 111.7 | T65 N117 E118 V119 A125 | T65-K121 WeakPolarHBondContact OG1-CG 3.45Å; N117-K121 WeakPolarHBondContact O-CB 3.45Å; N117-K121 WeakPolarHBondContact O-CG 3.03Å; N117-K121 PolarHBondContact O-N 3.33Å; E118-K121 PolarHBondContact O-N 2.85Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 3.48Å; K121-A125 WeakPolarHBondContact O-CB 3.5Å; K121-A125 PolarHBondContact O-N 2.94Å |
| 122 | A | 85.9 | Confident | 84.7 | Confident | 43 Ų | 43 | 35 Ų | 35 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.2 | -40.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E118 V119 L120 Q126 | E118-A122 PolarHBondContact O-N 2.83Å; V119-A122 PolarHBondContact O-N 3.48Å; V119-A122 VanDerWaalsContact O-N 3.14Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.39Å; A122-Q126 WeakPolarHBondContact O-CG 3.31Å; A122-Q126 PolarHBondContact O-NE2 2.97Å |
| 123 | V | 85 | Confident | 84.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.6 | -44.9 | 179.1 | 178 | 0 | 0 | 0 | 0 | 111 | V119 L120 A125 Q126 F127 V139 K142 V143 E146 | V119-V123 HydrophobicContact CG1-CG2 4.13Å; V119-V123 WeakPolarHBondContact O-CG2 3.4Å; V119-V123 PolarHBondContact O-N 2.92Å; L120-V123 PolarHBondContact O-N 3.34Å; V123-A125 PolarHBondContact O-N 3.03Å; V123-Q126 WeakPolarHBondContact O-CB 3.19Å; V123-Q126 PolarHBondContact O-N 3.45Å; V123-F127 HydrophobicContact CG1-CD2 4.22Å; V123-F127 HydrophobicContact CG1-CE2 3.95Å; V123-F127 WeakPolarHBondContact O-CD2 3.34Å; V123-V139 HydrophobicContact CG1-CG1 4.13Å; V123-K142 HydrophobicContact CG1-CB 4.24Å; V123-K142 HydrophobicContact CG1-CD 4.17Å; V123-K142 HydrophobicContact CG1-CG 4.18Å; V123-K142 HydrophobicContact CG2-CG 4.15Å; V123-V143 HydrophobicContact CB-CG2 3.92Å; V123-V143 HydrophobicContact CG1-CG2 3.78Å; V123-V143 HydrophobicContact CG2-CG2 3.99Å; V123-E146 VanDerWaalsContact CG2-OE2 3.28Å; V123-E146 WeakPolarHBondContact CG2-OE2 3.22Å |
| 124 | V | 82.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -28.2 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | T65 G66 K68 I83 L120 Q126 F127 M132 | T65-V124 HydrophobicContact CG2-CB 3.99Å; T65-V124 HydrophobicContact CG2-CG1 3.8Å; T65-V124 HydrophobicContact CG2-CG2 3.95Å; G66-V124 WeakPolarHBondContact O-CG1 3.33Å; K68-V124 PolarHBondContact N-O 2.85Å; I83-V124 HydrophobicContact CD1-CB 4.47Å; I83-V124 HydrophobicContact CD1-CG1 4.33Å; I83-V124 HydrophobicContact CD1-CG2 3.35Å; L120-V124 WeakPolarHBondContact O-CB 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 2.82Å; V124-Q126 PolarHBondContact O-N 2.87Å; V124-Q126 VanDerWaalsContact O-N 3.15Å; V124-F127 PolarHBondContact O-N 2.85Å; V124-F127 VanDerWaalsContact O-O 3.12Å; V124-M132 HydrophobicContact CB-CE 4.25Å; V124-M132 HydrophobicContact CG1-CE 3.85Å; V124-M132 HydrophobicContact CG1-SD 3.79Å; V124-M132 HydrophobicContact CG2-CE 3.67Å |
| 125 | A | 81.3 | Confident | 84.3 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K68 K121 V123 | K68-A125 WeakPolarHBondContact CA-O 3.41Å; K68-A125 WeakPolarHBondContact CG-O 3.08Å; K121-A125 WeakPolarHBondContact O-CB 3.5Å; K121-A125 PolarHBondContact O-N 2.94Å; V123-A125 PolarHBondContact O-N 3.03Å |
| 126 | Q | 85.1 | Confident | 84 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -5 | -179.8 | -59.8 | 173.6 | 42.1 | 0 | 0 | 113.7 | K68 A122 V123 V124 K142 | K68-Q126 WeakPolarHBondContact CE-O 3.41Å; K68-Q126 PolarHBondContact NZ-O 3.48Å; A122-Q126 WeakPolarHBondContact O-CG 3.31Å; A122-Q126 PolarHBondContact O-NE2 2.97Å; V123-Q126 WeakPolarHBondContact O-CB 3.19Å; V123-Q126 PolarHBondContact O-N 3.45Å; V124-Q126 PolarHBondContact O-N 2.87Å; V124-Q126 VanDerWaalsContact O-N 3.15Å; Q126-K142 VanDerWaalsContact OE1-CE 3.26Å |
| 127 | F | 82.9 | Confident | 84.1 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -123.2 | 145.3 | 178.7 | -64.9 | -84.5 | 0 | 0 | 0 | 110.9 | V123 V124 E131 M132 V138 V139 K142 | V123-F127 HydrophobicContact CG1-CD2 4.22Å; V123-F127 HydrophobicContact CG1-CE2 3.95Å; V123-F127 WeakPolarHBondContact O-CD2 3.34Å; V124-F127 PolarHBondContact O-N 2.85Å; V124-F127 VanDerWaalsContact O-O 3.12Å; F127-E131 HydrophobicContact CB-CB 4.43Å; F127-E131 HydrophobicContact CD1-CB 4.33Å; F127-M132 HydrophobicContact CB-CG 3.69Å; F127-V138 HydrophobicContact CZ-CG1 4.32Å; F127-V139 HydrophobicContact CD1-CG2 4.04Å; F127-V139 HydrophobicContact CD2-CG2 3.76Å; F127-V139 HydrophobicContact CE1-CG2 4.14Å; F127-V139 HydrophobicContact CE2-CG2 3.87Å; F127-V139 HydrophobicContact CG-CG2 3.85Å; F127-V139 HydrophobicContact CZ-CG2 4.05Å; F127-K142 HydrophobicContact CE2-CD 4.15Å; F127-K142 HydrophobicContact CZ-CD 4.45Å |
| 128 | D | 81.6 | Confident | 84.2 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -80.5 | 158.9 | 168.2 | -172.5 | 26.2 | 0 | 0 | 0 | 110.7 | A130 E131 M132 | D128-A130 VanDerWaalsContact C-N 3.28Å; D128-A130 PolarHBondContact O-N 3.43Å; D128-E131 HydrophobicContact CB-CB 4.47Å; D128-E131 HydrophobicContact CB-CG 4.1Å; D128-E131 PolarHBondContact N-OE2 3.46Å; D128-E131 WeakPolarHBondContact O-CA 3.47Å; D128-E131 WeakPolarHBondContact O-CB 2.96Å; D128-E131 PolarHBondContact O-N 3.03Å; D128-M132 WeakPolarHBondContact O-CG 3.11Å; D128-M132 PolarHBondContact O-N 3.25Å | ||
| 129 | A | 77.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.7 | -40.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M132 I133 F168 F172 | A129-M132 PolarHBondContact O-N 2.96Å; A129-I133 PolarHBondContact O-N 3.41Å; A129-F168 HydrophobicContact CB-CD1 3.84Å; A129-F168 HydrophobicContact CB-CE1 3.51Å; A129-F168 HydrophobicContact CB-CZ 4.33Å; A129-F168 WeakPolarHBondContact O-CZ 3.35Å; A129-F172 HydrophobicContact CB-CD1 4.32Å; A129-F172 HydrophobicContact CB-CE1 3.63Å; A129-F172 HydrophobicContact CB-CE2 4.25Å; A129-F172 HydrophobicContact CB-CZ 3.55Å |
| 130 | A | 79 | Confident | 84.2 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D128 M132 I133 T134 | D128-A130 VanDerWaalsContact C-N 3.28Å; D128-A130 PolarHBondContact O-N 3.43Å; A130-M132 VanDerWaalsContact C-N 3.35Å; A130-I133 PolarHBondContact O-N 3Å; A130-T134 PolarHBondContact O-N 3.05Å; A130-T134 PolarHBondContact O-OG1 3.43Å |
| 131 | E | 83.4 | Confident | 84.5 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 175.8 | -63.6 | 175.2 | 155.8 | 0 | 0 | 110.7 | K68 F127 D128 I133 T134 Q135 | K68-E131 IonicContact NZ-OE2 3.02Å; K68-E131 PolarHBondContact NZ-OE2 3.11Å; F127-E131 HydrophobicContact CB-CB 4.43Å; F127-E131 HydrophobicContact CD1-CB 4.33Å; D128-E131 HydrophobicContact CB-CB 4.47Å; D128-E131 HydrophobicContact CB-CG 4.1Å; D128-E131 PolarHBondContact N-OE2 3.46Å; D128-E131 WeakPolarHBondContact O-CA 3.47Å; D128-E131 WeakPolarHBondContact O-CB 2.96Å; D128-E131 PolarHBondContact O-N 3.03Å; E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 3.05Å; E131-T134 PolarHBondContact O-N 3.5Å; E131-T134 PolarHBondContact O-OG1 2.98Å; E131-Q135 WeakPolarHBondContact O-CA 3.37Å; E131-Q135 WeakPolarHBondContact O-CB 3.44Å; E131-Q135 PolarHBondContact O-N 2.99Å |
| 132 | M | 81.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -30.5 | 177.9 | -67.9 | -171.9 | 85.3 | 0 | 0 | 113.5 | V81 I83 V124 F127 D128 A129 A130 V139 L166 F168 | V81-M132 HydrophobicContact CG1-CE 4.5Å; V81-M132 HydrophobicContact CG1-SD 4.41Å; V81-M132 HydrophobicContact CG2-SD 4.35Å; I83-M132 HydrophobicContact CD1-CE 3.94Å; V124-M132 HydrophobicContact CB-CE 4.25Å; V124-M132 HydrophobicContact CG1-CE 3.85Å; V124-M132 HydrophobicContact CG1-SD 3.79Å; V124-M132 HydrophobicContact CG2-CE 3.67Å; F127-M132 HydrophobicContact CB-CG 3.69Å; D128-M132 WeakPolarHBondContact O-CG 3.11Å; D128-M132 PolarHBondContact O-N 3.25Å; A129-M132 PolarHBondContact O-N 2.96Å; A130-M132 VanDerWaalsContact C-N 3.35Å; M132-V139 HydrophobicContact CE-CG1 4.25Å; M132-L166 HydrophobicContact CB-CD1 4.18Å; M132-L166 HydrophobicContact CE-CD1 3.74Å; M132-F168 HydrophobicContact CB-CZ 4.13Å |
| 133 | I | 81.2 | Confident | 85 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 45% | 0.451 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.8 | -48.5 | 174.6 | -63.5 | 171.1 | 0 | 0 | 0 | 110.2 | A129 A130 E131 F168 F172 | A129-I133 PolarHBondContact O-N 3.41Å; A130-I133 PolarHBondContact O-N 3Å; E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 3.05Å; I133-F168 HydrophobicContact CD1-CD2 4.29Å; I133-F168 HydrophobicContact CD1-CE2 3.58Å; I133-F168 HydrophobicContact CD1-CZ 4.05Å; I133-F168 HydrophobicContact CG1-CD2 4.44Å; I133-F168 HydrophobicContact CG1-CE2 3.34Å; I133-F168 HydrophobicContact CG1-CZ 3.6Å; I133-F172 HydrophobicContact CD1-CE1 4.15Å |
| 134 | T | 85.7 | Confident | 85.4 | Confident | 109 Ų | 109 | 57 Ų | 57 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -79.8 | -36 | -171.7 | 52 | 0 | 0 | 0 | 0 | 113.2 | A130 E131 | A130-T134 PolarHBondContact O-N 3.05Å; A130-T134 PolarHBondContact O-OG1 3.43Å; E131-T134 PolarHBondContact O-N 3.5Å; E131-T134 PolarHBondContact O-OG1 2.98Å |
| 135 | Q | 87.2 | Confident | 85.9 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 34.4 | -175.9 | -56.7 | -176.9 | 11.7 | 0 | 0 | 112.4 | E131 E137 V138 V139 | E131-Q135 WeakPolarHBondContact O-CA 3.37Å; E131-Q135 WeakPolarHBondContact O-CB 3.44Å; E131-Q135 PolarHBondContact O-N 2.99Å; Q135-E137 PolarHBondContact O-N 3.49Å; Q135-E137 VanDerWaalsContact O-N 3.11Å; Q135-V138 HydrophobicContact CB-CB 4.35Å; Q135-V138 HydrophobicContact CB-CG2 4.38Å; Q135-V138 PolarHBondContact O-N 2.69Å; Q135-V139 PolarHBondContact O-N 2.95Å; Q135-V139 VanDerWaalsContact O-N 3.13Å |
| 136 | R | 84.7 | Confident | 86.4 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -51.4 | -37.6 | -178.6 | -174 | -179.7 | 176 | 173 | 1.8 | 113.3 | V139 S140 L163 T164 | R136-V139 PolarHBondContact O-N 2.95Å; R136-S140 WeakPolarHBondContact O-CB 3.5Å; R136-S140 PolarHBondContact O-N 2.93Å; R136-L163 HydrophobicContact CG-CD2 3.95Å; R136-L163 PolarHBondContact NH2-O 3.17Å; R136-T164 PolarHBondContact NH2-O 3.45Å |
| 137 | E | 90.1 | Very high | 86.8 | Confident | 145 Ų | 145 | 58.8 Ų | 58.8 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 180 | -169.3 | 58.3 | -151.1 | 0 | 0 | 112.2 | Q135 V139 S140 Q141 | Q135-E137 PolarHBondContact O-N 3.49Å; Q135-E137 VanDerWaalsContact O-N 3.11Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.45Å; E137-S140 WeakPolarHBondContact O-CB 3.44Å; E137-S140 PolarHBondContact O-N 3.42Å; E137-Q141 PolarHBondContact O-N 2.88Å |
| 138 | V | 90.1 | Very high | 87.3 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | F127 Q135 K142 | F127-V138 HydrophobicContact CZ-CG1 4.32Å; Q135-V138 HydrophobicContact CB-CB 4.35Å; Q135-V138 HydrophobicContact CB-CG2 4.38Å; Q135-V138 PolarHBondContact O-N 2.69Å; V138-K142 WeakPolarHBondContact O-CB 3.4Å; V138-K142 PolarHBondContact O-N 2.86Å |
| 139 | V | 86.5 | Confident | 88 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | V123 F127 M132 Q135 R136 E137 Q141 K142 V143 | V123-V139 HydrophobicContact CG1-CG1 4.13Å; F127-V139 HydrophobicContact CD1-CG2 4.04Å; F127-V139 HydrophobicContact CD2-CG2 3.76Å; F127-V139 HydrophobicContact CE1-CG2 4.14Å; F127-V139 HydrophobicContact CE2-CG2 3.87Å; F127-V139 HydrophobicContact CG-CG2 3.85Å; F127-V139 HydrophobicContact CZ-CG2 4.05Å; M132-V139 HydrophobicContact CE-CG1 4.25Å; Q135-V139 PolarHBondContact O-N 2.95Å; Q135-V139 VanDerWaalsContact O-N 3.13Å; R136-V139 PolarHBondContact O-N 2.95Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.45Å; V139-Q141 PolarHBondContact O-N 3.14Å; V139-K142 PolarHBondContact O-N 3.43Å; V139-V143 HydrophobicContact CG1-CG2 4.43Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.47Å; V139-V143 PolarHBondContact O-N 3.05Å |
| 140 | S | 88.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | -180 | -163.4 | 0 | 0 | 0 | 0 | 112 | R136 E137 V143 N144 | R136-S140 WeakPolarHBondContact O-CB 3.5Å; R136-S140 PolarHBondContact O-N 2.93Å; E137-S140 WeakPolarHBondContact O-CB 3.44Å; E137-S140 PolarHBondContact O-N 3.42Å; S140-V143 PolarHBondContact O-N 3.12Å; S140-N144 WeakPolarHBondContact O-CB 3.23Å; S140-N144 PolarHBondContact O-N 3.06Å |
| 141 | Q | 91.6 | Very high | 89.4 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 177.1 | -173.7 | 177.5 | 10 | 0 | 0 | 111.4 | E137 V139 V143 N144 D145 | E137-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 PolarHBondContact O-N 3.14Å; Q141-V143 PolarHBondContact O-N 3.39Å; Q141-N144 WeakPolarHBondContact O-CA 3.31Å; Q141-N144 WeakPolarHBondContact O-CB 3.34Å; Q141-N144 PolarHBondContact O-N 2.92Å; Q141-N144 VanDerWaalsContact O-N 3.09Å; Q141-D145 PolarHBondContact O-N 3.21Å |
| 142 | K | 90.3 | Very high | 89.9 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 179 | -170 | 168 | -167.1 | 159.1 | 0 | 112.9 | V123 Q126 F127 V138 V139 N144 D145 E146 | V123-K142 HydrophobicContact CG1-CB 4.24Å; V123-K142 HydrophobicContact CG1-CD 4.17Å; V123-K142 HydrophobicContact CG1-CG 4.18Å; V123-K142 HydrophobicContact CG2-CG 4.15Å; Q126-K142 VanDerWaalsContact OE1-CE 3.26Å; F127-K142 HydrophobicContact CE2-CD 4.15Å; F127-K142 HydrophobicContact CZ-CD 4.45Å; V138-K142 WeakPolarHBondContact O-CB 3.4Å; V138-K142 PolarHBondContact O-N 2.86Å; V139-K142 PolarHBondContact O-N 3.43Å; K142-N144 VanDerWaalsContact C-N 3.26Å; K142-N144 PolarHBondContact O-N 2.78Å; K142-D145 PolarHBondContact O-N 3.48Å; K142-E146 VanDerWaalsContact CE-OE1 3.23Å; K142-E146 WeakPolarHBondContact CE-OE1 3.28Å; K142-E146 PolarHBondContact O-N 3.09Å; K142-E146 VanDerWaalsContact O-N 3.12Å |
| 143 | V | 90.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 172.2 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L85 L120 V123 V139 S140 Q141 L147 I161 | L85-V143 HydrophobicContact CD1-CG1 3.86Å; L120-V143 HydrophobicContact CD2-CG1 4.19Å; L120-V143 HydrophobicContact CD2-CG2 4Å; V123-V143 HydrophobicContact CB-CG2 3.92Å; V123-V143 HydrophobicContact CG1-CG2 3.78Å; V123-V143 HydrophobicContact CG2-CG2 3.99Å; V139-V143 HydrophobicContact CG1-CG2 4.43Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.47Å; V139-V143 PolarHBondContact O-N 3.05Å; S140-V143 PolarHBondContact O-N 3.12Å; Q141-V143 PolarHBondContact O-N 3.39Å; V143-L147 WeakPolarHBondContact O-CB 3.37Å; V143-L147 PolarHBondContact O-N 3.42Å; V143-I161 HydrophobicContact CG1-CG2 4.31Å |
| 144 | N | 92.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 70 Ų | 70 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -51.1 | 178.7 | -170.1 | -38.1 | 0 | 0 | 0 | 111.6 | S140 Q141 K142 E146 L147 T148 I161 | S140-N144 WeakPolarHBondContact O-CB 3.23Å; S140-N144 PolarHBondContact O-N 3.06Å; Q141-N144 WeakPolarHBondContact O-CA 3.31Å; Q141-N144 WeakPolarHBondContact O-CB 3.34Å; Q141-N144 PolarHBondContact O-N 2.92Å; Q141-N144 VanDerWaalsContact O-N 3.09Å; K142-N144 VanDerWaalsContact C-N 3.26Å; K142-N144 PolarHBondContact O-N 2.78Å; N144-E146 PolarHBondContact O-N 3.03Å; N144-L147 PolarHBondContact O-N 2.82Å; N144-T148 WeakPolarHBondContact O-CB 3.45Å; N144-T148 PolarHBondContact O-N 3.49Å; N144-T148 PolarHBondContact O-OG1 3.44Å; N144-T148 PolarHBondContact OD1-OG1 3.44Å; N144-T148 VanDerWaalsContact OD1-OG1 3.1Å; N144-I161 HydrophobicContact CB-CD1 4.19Å |
| 145 | D | 93.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | -177.9 | -66.8 | -24 | 0 | 0 | 0 | 111.9 | Q141 K142 Q149 | Q141-D145 PolarHBondContact O-N 3.21Å; K142-D145 PolarHBondContact O-N 3.48Å; D145-Q149 WeakPolarHBondContact O-CB 3.35Å; D145-Q149 PolarHBondContact O-N 3.13Å |
| 146 | E | 92.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -42 | -178.9 | -70.5 | -174.5 | -160.3 | 0 | 0 | 111.9 | V119 V123 K142 N144 Q149 R150 | V119-E146 HydrophobicContact CG1-CB 3.61Å; V119-E146 HydrophobicContact CG2-CB 4.48Å; V123-E146 VanDerWaalsContact CG2-OE2 3.28Å; V123-E146 WeakPolarHBondContact CG2-OE2 3.22Å; K142-E146 VanDerWaalsContact CE-OE1 3.23Å; K142-E146 WeakPolarHBondContact CE-OE1 3.28Å; K142-E146 PolarHBondContact O-N 3.09Å; K142-E146 VanDerWaalsContact O-N 3.12Å; N144-E146 PolarHBondContact O-N 3.03Å; E146-Q149 PolarHBondContact O-N 2.95Å; E146-R150 WeakPolarHBondContact O-CB 3.17Å; E146-R150 PolarHBondContact O-N 3.32Å |
| 147 | L | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.2 | -38.6 | -179.1 | -168.8 | 61.1 | 0 | 0 | 0 | 111.7 | I87 I115 V119 V143 N144 R150 A151 L158 I161 | I87-L147 HydrophobicContact CD1-CD2 3.88Å; I87-L147 HydrophobicContact CG1-CD2 4.37Å; I115-L147 HydrophobicContact CB-CD1 4.29Å; I115-L147 HydrophobicContact CD1-CD1 3.99Å; I115-L147 HydrophobicContact CG1-CD1 3.85Å; V119-L147 HydrophobicContact CB-CD1 4.18Å; V119-L147 HydrophobicContact CG1-CB 4.14Å; V119-L147 HydrophobicContact CG2-CD1 4.02Å; V143-L147 WeakPolarHBondContact O-CB 3.37Å; V143-L147 PolarHBondContact O-N 3.42Å; N144-L147 PolarHBondContact O-N 2.82Å; L147-R150 PolarHBondContact O-N 3.11Å; L147-A151 VanDerWaalsContact O-CB 3.23Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 2.91Å; L147-L158 HydrophobicContact CB-CD1 4.22Å; L147-L158 HydrophobicContact CD2-CD1 3.96Å; L147-L158 HydrophobicContact CG-CD1 3.57Å; L147-I161 HydrophobicContact CB-CD1 4.02Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; L147-I161 HydrophobicContact CD2-CG1 4.29Å; L147-I161 HydrophobicContact CD2-CG2 4.34Å; L147-I161 HydrophobicContact CG-CD1 4.25Å |
| 148 | T | 94 | Very high | 92.2 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.6 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | N144 R150 A151 S152 | N144-T148 WeakPolarHBondContact O-CB 3.45Å; N144-T148 PolarHBondContact O-N 3.49Å; N144-T148 PolarHBondContact O-OG1 3.44Å; N144-T148 PolarHBondContact OD1-OG1 3.44Å; N144-T148 VanDerWaalsContact OD1-OG1 3.1Å; T148-R150 PolarHBondContact O-N 3.18Å; T148-A151 PolarHBondContact O-N 2.92Å; T148-S152 WeakPolarHBondContact O-CB 3.35Å; T148-S152 PolarHBondContact O-N 3.42Å |
| 149 | Q | 94.6 | Very high | 92.3 | Very high | 141 Ų | 141 | 51.7 Ų | 51.7 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.1 | -172.2 | -179 | 17.1 | 0 | 0 | 111.4 | D145 E146 | D145-Q149 WeakPolarHBondContact O-CB 3.35Å; D145-Q149 PolarHBondContact O-N 3.13Å; E146-Q149 PolarHBondContact O-N 2.95Å |
| 150 | R | 93.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 30% | 0.302 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 179.6 | -169.7 | 59.7 | 161.7 | 166.2 | -10.9 | 112.2 | I115 E118 V119 E146 L147 T148 S152 Q153 F154 | I115-R150 HydrophobicContact CB-CG 3.86Å; I115-R150 HydrophobicContact CG2-CG 3.8Å; E118-R150 IonicContact OE1-CZ 3.22Å; E118-R150 IonicContact OE1-NE 2.98Å; E118-R150 IonicContact OE1-NH2 3.58Å; E118-R150 PolarHBondContact OE1-NH2 2.92Å; E118-R150 VanDerWaalsContact OE1-NH2 3.11Å; E118-R150 IonicContact OE2-CZ 3.41Å; E118-R150 IonicContact OE2-NE 3.89Å; E118-R150 PolarHBondContact OE2-NE 3.03Å; E118-R150 IonicContact OE2-NH2 2.86Å; E118-R150 PolarHBondContact OE2-NH2 3.33Å; V119-R150 HydrophobicContact CG2-CB 4.36Å; E146-R150 WeakPolarHBondContact O-CB 3.17Å; E146-R150 PolarHBondContact O-N 3.32Å; L147-R150 PolarHBondContact O-N 3.11Å; T148-R150 PolarHBondContact O-N 3.18Å; R150-S152 PolarHBondContact O-N 2.99Å; R150-Q153 WeakPolarHBondContact O-CB 3.47Å; R150-Q153 PolarHBondContact O-N 3.37Å; R150-F154 HydrophobicContact CG-CE2 4.47Å; R150-F154 VanDerWaalsContact O-CD2 3.32Å; R150-F154 WeakPolarHBondContact O-CD2 3.35Å |
| 151 | A | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I115 L147 T148 Q153 F154 G155 I156 L158 | I115-A151 HydrophobicContact CD1-CB 3.9Å; L147-A151 VanDerWaalsContact O-CB 3.23Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 2.91Å; T148-A151 PolarHBondContact O-N 2.92Å; A151-Q153 PolarHBondContact O-N 2.97Å; A151-F154 PolarHBondContact O-N 3.15Å; A151-G155 PolarHBondContact O-N 3.35Å; A151-I156 CarbonylContact C-O 3.6Å; A151-I156 VanDerWaalsContact C-O 3.28Å; A151-I156 HydrophobicContact CB-CB 4.31Å; A151-I156 PolarHBondContact O-N 2.89Å; A151-I156 VanDerWaalsContact O-N 3.11Å; A151-L158 HydrophobicContact CB-CD1 3.64Å; A151-L158 HydrophobicContact CB-CD2 4.16Å; A151-L158 HydrophobicContact CB-CG 3.71Å |
| 152 | S | 92.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 47% | 0.469 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -32.2 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | K95 T148 R150 F154 G155 I156 | K95-S152 PolarHBondContact NZ-O 2.88Å; T148-S152 WeakPolarHBondContact O-CB 3.35Å; T148-S152 PolarHBondContact O-N 3.42Å; R150-S152 PolarHBondContact O-N 2.99Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 3.37Å; S152-G155 PolarHBondContact O-N 3.48Å; S152-G155 VanDerWaalsContact O-N 3.12Å; S152-I156 PolarHBondContact N-O 3.21Å |
| 153 | Q | 92.5 | Very high | 92 | Very high | 122 Ų | 122 | 48 Ų | 48 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62 | -36.3 | 174.8 | -62.5 | 178.8 | -13.9 | 0 | 0 | 111.9 | R150 A151 G155 | R150-Q153 WeakPolarHBondContact O-CB 3.47Å; R150-Q153 PolarHBondContact O-N 3.37Å; A151-Q153 PolarHBondContact O-N 2.97Å; Q153-G155 VanDerWaalsContact C-N 3.33Å |
| 154 | F | 92.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 31% | 0.307 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -86.2 | -2.7 | 177.5 | -63.5 | -78.7 | 0 | 0 | 0 | 113.5 | I111 I115 R150 A151 S152 I156 | I111-F154 HydrophobicContact CD1-CB 4.07Å; I111-F154 HydrophobicContact CD1-CD1 4.08Å; I111-F154 HydrophobicContact CD1-CG 4.25Å; I111-F154 HydrophobicContact CG1-CD1 4.48Å; I111-F154 HydrophobicContact CG2-CB 4.16Å; I111-F154 HydrophobicContact CG2-CD1 4.25Å; I111-F154 HydrophobicContact CG2-CD2 3.9Å; I111-F154 HydrophobicContact CG2-CE2 4.38Å; I111-F154 HydrophobicContact CG2-CG 3.83Å; I115-F154 HydrophobicContact CG2-CD2 4.13Å; I115-F154 HydrophobicContact CG2-CE2 3.65Å; I115-F154 HydrophobicContact CG2-CZ 4.4Å; R150-F154 HydrophobicContact CG-CE2 4.47Å; R150-F154 VanDerWaalsContact O-CD2 3.32Å; R150-F154 WeakPolarHBondContact O-CD2 3.35Å; A151-F154 PolarHBondContact O-N 3.15Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 3.37Å; F154-I156 HydrophobicContact CB-CD1 4.32Å |
| 155 | G | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 28.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V92 K95 A151 S152 Q153 | V92-G155 WeakPolarHBondContact CB-O 3.35Å; V92-G155 VanDerWaalsContact CG2-O 3.28Å; V92-G155 WeakPolarHBondContact CG2-O 3.27Å; V92-G155 PolarHBondContact N-O 2.8Å; K95-G155 VanDerWaalsContact CD-CA 3.48Å; A151-G155 PolarHBondContact O-N 3.35Å; S152-G155 PolarHBondContact O-N 3.48Å; S152-G155 VanDerWaalsContact O-N 3.12Å; Q153-G155 VanDerWaalsContact C-N 3.33Å |
| 156 | I | 93.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.3 | 172 | -59.8 | 159.5 | 0 | 0 | 0 | 108 | F89 Y107 I111 L112 A151 S152 F154 L158 | F89-I156 HydrophobicContact CB-CG2 4Å; F89-I156 HydrophobicContact CD2-CG2 4.23Å; Y107-I156 HydrophobicContact CD2-CD1 4.05Å; Y107-I156 HydrophobicContact CD2-CG1 4.16Å; Y107-I156 HydrophobicContact CE2-CD1 4.35Å; Y107-I156 HydrophobicContact CE2-CG1 4.13Å; I111-I156 HydrophobicContact CB-CD1 4.25Å; I111-I156 HydrophobicContact CD1-CD1 4.16Å; I111-I156 HydrophobicContact CG2-CD1 3.99Å; L112-I156 HydrophobicContact CD2-CD1 4.3Å; L112-I156 HydrophobicContact CD2-CG2 4.42Å; A151-I156 CarbonylContact C-O 3.6Å; A151-I156 VanDerWaalsContact C-O 3.28Å; A151-I156 HydrophobicContact CB-CB 4.31Å; A151-I156 PolarHBondContact O-N 2.89Å; A151-I156 VanDerWaalsContact O-N 3.11Å; S152-I156 PolarHBondContact N-O 3.21Å; F154-I156 HydrophobicContact CB-CD1 4.32Å; I156-L158 HydrophobicContact CG2-CD2 3.89Å |
| 157 | I | 94.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.5 | 170.5 | -62.7 | 163.3 | 0 | 0 | 0 | 107.5 | F89 R90 V92 | F89-I157 CarbonylContact C-O 3.56Å; F89-I157 VanDerWaalsContact CA-O 3.3Å; F89-I157 WeakPolarHBondContact CA-O 3.47Å; R90-I157 HydrophobicContact CG-CB 3.96Å; R90-I157 HydrophobicContact CG-CG2 4.36Å; R90-I157 PolarHBondContact N-O 3.17Å; R90-I157 PolarHBondContact O-N 3.15Å; V92-I157 HydrophobicContact CG2-CD1 3.73Å; V92-I157 HydrophobicContact CG2-CG1 3.6Å |
| 158 | L | 94.1 | Very high | 88.9 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 113.9 | 171.6 | -53.5 | -175.9 | 0 | 0 | 0 | 106.9 | I87 L88 F89 L112 L147 A151 I156 I161 | I87-L158 HydrophobicContact CG2-CD2 3.7Å; L88-L158 CarbonylContact O-C 3.59Å; L88-L158 WeakPolarHBondContact O-CA 3.31Å; F89-L158 HydrophobicContact CB-CD2 3.56Å; L112-L158 HydrophobicContact CD2-CD2 4.31Å; L147-L158 HydrophobicContact CB-CD1 4.22Å; L147-L158 HydrophobicContact CD2-CD1 3.96Å; L147-L158 HydrophobicContact CG-CD1 3.57Å; A151-L158 HydrophobicContact CB-CD1 3.64Å; A151-L158 HydrophobicContact CB-CD2 4.16Å; A151-L158 HydrophobicContact CB-CG 3.71Å; I156-L158 HydrophobicContact CG2-CD2 3.89Å; L158-I161 HydrophobicContact CB-CD1 4.08Å; L158-I161 HydrophobicContact CB-CG1 4.24Å; L158-I161 HydrophobicContact CD1-CD1 3.68Å; L158-I161 HydrophobicContact CD1-CG1 4.24Å |
| 159 | D | 92.2 | Very high | 88.1 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -34.7 | -178.7 | -65.7 | -45.4 | 0 | 0 | 0 | 110.8 | A56 L88 R90 | A56-D159 WeakPolarHBondContact CB-OD2 3.4Å; L88-D159 HydrophobicContact CD2-CB 4.05Å; L88-D159 HydrophobicContact CG-CB 4.23Å; L88-D159 PolarHBondContact O-N 3.23Å; R90-D159 VanDerWaalsContact CD-OD2 3.25Å; R90-D159 WeakPolarHBondContact CD-OD2 3.13Å; R90-D159 IonicContact CZ-OD1 3.9Å; R90-D159 IonicContact NE-OD1 4Å; R90-D159 PolarHBondContact NE-OD1 3.22Å; R90-D159 IonicContact NE-OD2 3.25Å; R90-D159 PolarHBondContact NE-OD2 2.55Å; R90-D159 IonicContact NH2-OD1 3.6Å; R90-D159 PolarHBondContact NH2-OD1 3.27Å |
| 160 | D | 90.6 | Very high | 87.5 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144.9 | 175.9 | -178.1 | 40.9 | 0 | 0 | 0 | 111.4 | L88 | L88-D160 HydrophobicContact CB-CB 4.07Å; L88-D160 HydrophobicContact CD2-CB 4.39Å; L88-D160 PolarHBondContact N-O 3.42Å; L88-D160 PolarHBondContact O-N 2.88Å |
| 161 | I | 89.5 | Confident | 86.8 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 118.7 | 176.3 | -58.9 | 155.6 | 0 | 0 | 0 | 107.4 | L85 I87 V143 N144 L147 L158 | L85-I161 HydrophobicContact CD1-CG2 4.4Å; I87-I161 HydrophobicContact CG1-CG2 4.38Å; I87-I161 HydrophobicContact CG2-CG1 4.37Å; V143-I161 HydrophobicContact CG1-CG2 4.31Å; N144-I161 HydrophobicContact CB-CD1 4.19Å; L147-I161 HydrophobicContact CB-CD1 4.02Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; L147-I161 HydrophobicContact CD2-CG1 4.29Å; L147-I161 HydrophobicContact CD2-CG2 4.34Å; L147-I161 HydrophobicContact CG-CD1 4.25Å; L158-I161 HydrophobicContact CB-CD1 4.08Å; L158-I161 HydrophobicContact CB-CG1 4.24Å; L158-I161 HydrophobicContact CD1-CD1 3.68Å; L158-I161 HydrophobicContact CD1-CG1 4.24Å |
| 162 | S | 87.1 | Confident | 86.1 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.4 | 180 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | R86 T164 | R86-S162 PolarHBondContact N-O 2.99Å; R86-S162 PolarHBondContact O-N 3.25Å; R86-S162 PolarHBondContact O-OG 3.02Å; S162-T164 PolarHBondContact O-N 3.07Å |
| 163 | L | 83.5 | Confident | 85.4 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.7 | 168.3 | 176.3 | 58.5 | 0 | 0 | 0 | 109 | I83 L85 R136 L166 | I83-L163 HydrophobicContact CG2-CD1 3.33Å; L85-L163 HydrophobicContact CD2-CB 3.97Å; L85-L163 HydrophobicContact CD2-CD1 3.85Å; R136-L163 HydrophobicContact CG-CD2 3.95Å; R136-L163 PolarHBondContact NH2-O 3.17Å; L163-L166 HydrophobicContact CD1-CB 4.48Å; L163-L166 HydrophobicContact CD2-CB 4.27Å; L163-L166 HydrophobicContact CD2-CD1 3.84Å |
| 164 | T | 79.7 | Confident | 85.1 | Confident | 49 Ų | 49 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -56.7 | -177.7 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | T84 R86 R136 S162 | T84-T164 WeakPolarHBondContact CB-OG1 3.43Å; T84-T164 WeakPolarHBondContact CG2-OG1 3.43Å; T84-T164 PolarHBondContact O-N 3.21Å; T84-T164 PolarHBondContact O-OG1 2.77Å; R86-T164 HydrophobicContact CB-CG2 3.59Å; R136-T164 PolarHBondContact NH2-O 3.45Å; S162-T164 PolarHBondContact O-N 3.07Å |
| 165 | H | 78.8 | Confident | 84.7 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.8 | -177 | -62 | 78.5 | 0 | 0 | 0 | 109.5 | T84 | T84-H165 PolarHBondContact N-O 3.15Å; T84-H165 PolarHBondContact O-N 3.27Å |
| 166 | L | 80.5 | Confident | 84.1 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 113.7 | 170.1 | -171.3 | 155.5 | 0 | 0 | 0 | 106.5 | V81 H82 M132 L163 F168 | V81-L166 HydrophobicContact CG1-CD1 4.47Å; V81-L166 HydrophobicContact CG1-CD2 4.05Å; V81-L166 HydrophobicContact CG1-CG 3.98Å; H82-L166 WeakPolarHBondContact O-CA 3.24Å; M132-L166 HydrophobicContact CB-CD1 4.18Å; M132-L166 HydrophobicContact CE-CD1 3.74Å; L163-L166 HydrophobicContact CD1-CB 4.48Å; L163-L166 HydrophobicContact CD2-CB 4.27Å; L163-L166 HydrophobicContact CD2-CD1 3.84Å; L166-F168 HydrophobicContact CD2-CD1 4.45Å; L166-F168 HydrophobicContact CD2-CD2 3.78Å; L166-F168 HydrophobicContact CD2-CE1 3.83Å; L166-F168 HydrophobicContact CD2-CE2 3.05Å; L166-F168 HydrophobicContact CD2-CG 4.44Å; L166-F168 HydrophobicContact CD2-CZ 3.11Å; L166-F168 HydrophobicContact CG-CZ 4.46Å |
| 167 | S | 78.5 | Confident | 83.7 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 43% | 0.427 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.6 | 175.8 | 47.2 | 0 | 0 | 0 | 0 | 110.4 | H82 | H82-S167 VanDerWaalsContact CB-OG 3.31Å; H82-S167 WeakPolarHBondContact CB-OG 3.44Å; H82-S167 PolarHBondContact N-O 3.43Å; H82-S167 PolarHBondContact O-N 3.31Å |
| 168 | F | 78.2 | Confident | 83.4 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 10% | 0.101 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 165.1 | 176 | -58.7 | -86.3 | 0 | 0 | 0 | 109.7 | V81 A129 M132 I133 L166 F172 | V81-F168 HydrophobicContact CG1-CD1 4.25Å; V81-F168 HydrophobicContact CG1-CE1 4.13Å; V81-F168 HydrophobicContact CG2-CD1 3.91Å; V81-F168 HydrophobicContact CG2-CE1 4Å; A129-F168 HydrophobicContact CB-CD1 3.84Å; A129-F168 HydrophobicContact CB-CE1 3.51Å; A129-F168 HydrophobicContact CB-CZ 4.33Å; A129-F168 WeakPolarHBondContact O-CZ 3.35Å; M132-F168 HydrophobicContact CB-CZ 4.13Å; I133-F168 HydrophobicContact CD1-CD2 4.29Å; I133-F168 HydrophobicContact CD1-CE2 3.58Å; I133-F168 HydrophobicContact CD1-CZ 4.05Å; I133-F168 HydrophobicContact CG1-CD2 4.44Å; I133-F168 HydrophobicContact CG1-CE2 3.34Å; I133-F168 HydrophobicContact CG1-CZ 3.6Å; L166-F168 HydrophobicContact CD2-CD1 4.45Å; L166-F168 HydrophobicContact CD2-CD2 3.78Å; L166-F168 HydrophobicContact CD2-CE1 3.83Å; L166-F168 HydrophobicContact CD2-CE2 3.05Å; L166-F168 HydrophobicContact CD2-CG 4.44Å; L166-F168 HydrophobicContact CD2-CZ 3.11Å; L166-F168 HydrophobicContact CG-CZ 4.46Å; F168-F172 HydrophobicContact CB-CB 4.31Å; F168-F172 HydrophobicContact CB-CD1 3.63Å; F168-F172 HydrophobicContact CB-CE1 4.47Å; F168-F172 HydrophobicContact CB-CG 4.43Å; F168-F172 AromaticContact CD1-CD1 3.96Å; F168-F172 HydrophobicContact CD1-CD1 3.96Å; F168-F172 HydrophobicContact CD1-CE1 4.07Å; F168-F172 HydrophobicContact CD2-CD1 4.12Å; F168-F172 HydrophobicContact CD2-CE1 4.21Å; F168-F172 HydrophobicContact CE1-CE1 4.35Å; F168-F172 HydrophobicContact CE2-CE1 4.46Å; F168-F172 AromaticContact CG-CD1 3.63Å; F168-F172 HydrophobicContact CG-CD1 3.63Å; F168-F172 AromaticContact CG-CE1 3.99Å; F168-F172 HydrophobicContact CG-CE1 3.99Å; F168-F172 HydrophobicContact CZ-CE1 4.5Å |
| 169 | G | 78.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | trans | -53.6 | 144.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N80 E171 F172 T173 | N80-G169 PolarHBondContact O-N 3.4Å; G169-E171 VanDerWaalsContact C-N 3.26Å; G169-E171 PolarHBondContact O-N 3.35Å; G169-F172 PolarHBondContact O-N 3.39Å; G169-T173 PolarHBondContact O-N 2.86Å | ||
| 170 | K | 81.3 | Confident | 82.9 | Confident | 169 Ų | 169 | 74.2 Ų | 74.2 | 74% | 0.735 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -50.1 | -44.3 | -175.6 | -81.6 | -172.5 | 170.6 | -170.6 | 0 | 113.5 | F172 T173 E174 | K170-F172 PolarHBondContact O-N 3.31Å; K170-T173 PolarHBondContact O-N 2.87Å; K170-E174 WeakPolarHBondContact O-CB 2.92Å; K170-E174 VanDerWaalsContact O-CG 3.31Å; K170-E174 WeakPolarHBondContact O-CG 2.96Å; K170-E174 PolarHBondContact O-N 3.42Å |
| 171 | E | 79.9 | Confident | 83 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 79% | 0.785 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.5 | -36.4 | -179 | -62.2 | 177.6 | 179.2 | 0 | 0 | 112.6 | G169 A175 | G169-E171 VanDerWaalsContact C-N 3.26Å; G169-E171 PolarHBondContact O-N 3.35Å; E171-A175 VanDerWaalsContact O-CB 3.24Å; E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 2.91Å |
| 172 | F | 76.8 | Confident | 83.2 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76 | -43.9 | 177.4 | -179.3 | -113.2 | 0 | 0 | 0 | 112.1 | Q79 A129 I133 F168 G169 K170 E174 A175 V176 | Q79-F172 VanDerWaalsContact CD-CD2 3.42Å; Q79-F172 VanDerWaalsContact NE2-CE2 3.34Å; Q79-F172 VanDerWaalsContact NE2-CG 3.33Å; Q79-F172 VanDerWaalsContact OE1-CD2 3.24Å; A129-F172 HydrophobicContact CB-CD1 4.32Å; A129-F172 HydrophobicContact CB-CE1 3.63Å; A129-F172 HydrophobicContact CB-CE2 4.25Å; A129-F172 HydrophobicContact CB-CZ 3.55Å; I133-F172 HydrophobicContact CD1-CE1 4.15Å; F168-F172 HydrophobicContact CB-CB 4.31Å; F168-F172 HydrophobicContact CB-CD1 3.63Å; F168-F172 HydrophobicContact CB-CE1 4.47Å; F168-F172 HydrophobicContact CB-CG 4.43Å; F168-F172 AromaticContact CD1-CD1 3.96Å; F168-F172 HydrophobicContact CD1-CD1 3.96Å; F168-F172 HydrophobicContact CD1-CE1 4.07Å; F168-F172 HydrophobicContact CD2-CD1 4.12Å; F168-F172 HydrophobicContact CD2-CE1 4.21Å; F168-F172 HydrophobicContact CE1-CE1 4.35Å; F168-F172 HydrophobicContact CE2-CE1 4.46Å; F168-F172 AromaticContact CG-CD1 3.63Å; F168-F172 HydrophobicContact CG-CD1 3.63Å; F168-F172 AromaticContact CG-CE1 3.99Å; F168-F172 HydrophobicContact CG-CE1 3.99Å; F168-F172 HydrophobicContact CZ-CE1 4.5Å; G169-F172 PolarHBondContact O-N 3.39Å; K170-F172 PolarHBondContact O-N 3.31Å; F172-E174 VanDerWaalsContact C-N 3.29Å; F172-E174 PolarHBondContact O-N 3.26Å; F172-A175 PolarHBondContact O-N 3.01Å; F172-V176 HydrophobicContact CD1-CG2 4.02Å; F172-V176 HydrophobicContact CD2-CG2 3.92Å; F172-V176 HydrophobicContact CE1-CG2 3.67Å; F172-V176 HydrophobicContact CE2-CG2 3.6Å; F172-V176 HydrophobicContact CG-CG2 4.19Å; F172-V176 HydrophobicContact CZ-CG2 3.48Å; F172-V176 VanDerWaalsContact CZ-CG2 3.48Å; F172-V176 WeakPolarHBondContact O-CB 3.43Å; F172-V176 WeakPolarHBondContact O-CG2 3.31Å; F172-V176 PolarHBondContact O-N 2.86Å |
| 173 | T | 78.7 | Confident | 83.5 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | G169 K170 A175 V176 E177 | G169-T173 PolarHBondContact O-N 2.86Å; K170-T173 PolarHBondContact O-N 2.87Å; T173-A175 PolarHBondContact O-N 3.5Å; T173-V176 PolarHBondContact O-N 2.87Å; T173-E177 HydrophobicContact CG2-CG 4.47Å; T173-E177 WeakPolarHBondContact CG2-OE1 3.33Å; T173-E177 WeakPolarHBondContact O-CB 3.49Å; T173-E177 VanDerWaalsContact O-CG 3.26Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 3.17Å |
| 174 | E | 85.9 | Confident | 83.9 | Confident | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.3 | -70.8 | 171.4 | -164.9 | 0 | 0 | 111.9 | K170 F172 V176 E177 M178 | K170-E174 WeakPolarHBondContact O-CB 2.92Å; K170-E174 VanDerWaalsContact O-CG 3.31Å; K170-E174 WeakPolarHBondContact O-CG 2.96Å; K170-E174 PolarHBondContact O-N 3.42Å; F172-E174 VanDerWaalsContact C-N 3.29Å; F172-E174 PolarHBondContact O-N 3.26Å; E174-V176 PolarHBondContact O-N 3.44Å; E174-E177 PolarHBondContact O-N 2.84Å; E174-M178 WeakPolarHBondContact O-CB 3.48Å; E174-M178 VanDerWaalsContact O-CG 3.29Å; E174-M178 WeakPolarHBondContact O-CG 3.37Å; E174-M178 PolarHBondContact O-N 3.04Å |
| 175 | A | 83.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E171 F172 T173 K179 | E171-A175 VanDerWaalsContact O-CB 3.24Å; E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 2.91Å; F172-A175 PolarHBondContact O-N 3.01Å; T173-A175 PolarHBondContact O-N 3.5Å; A175-K179 WeakPolarHBondContact O-CG 3.49Å; A175-K179 PolarHBondContact O-N 3.42Å; A175-K179 VanDerWaalsContact O-N 3.07Å |
| 176 | V | 80.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 29% | 0.291 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.4 | -44.3 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | F172 T173 E174 M178 K179 Q180 | F172-V176 HydrophobicContact CD1-CG2 4.02Å; F172-V176 HydrophobicContact CD2-CG2 3.92Å; F172-V176 HydrophobicContact CE1-CG2 3.67Å; F172-V176 HydrophobicContact CE2-CG2 3.6Å; F172-V176 HydrophobicContact CG-CG2 4.19Å; F172-V176 HydrophobicContact CZ-CG2 3.48Å; F172-V176 VanDerWaalsContact CZ-CG2 3.48Å; F172-V176 WeakPolarHBondContact O-CB 3.43Å; F172-V176 WeakPolarHBondContact O-CG2 3.31Å; F172-V176 PolarHBondContact O-N 2.86Å; T173-V176 PolarHBondContact O-N 2.87Å; E174-V176 PolarHBondContact O-N 3.44Å; V176-M178 PolarHBondContact O-N 3.02Å; V176-K179 PolarHBondContact O-N 2.9Å; V176-Q180 WeakPolarHBondContact O-CB 3.43Å; V176-Q180 PolarHBondContact O-N 3.26Å |
| 177 | E | 84.3 | Confident | 86.2 | Confident | 110 Ų | 110 | 88.3 Ų | 88.3 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 175.5 | -75.1 | 177.4 | -177.9 | 0 | 0 | 111.1 | T173 E174 K179 Q180 V181 | T173-E177 HydrophobicContact CG2-CG 4.47Å; T173-E177 WeakPolarHBondContact CG2-OE1 3.33Å; T173-E177 WeakPolarHBondContact O-CB 3.49Å; T173-E177 VanDerWaalsContact O-CG 3.26Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 3.17Å; E174-E177 PolarHBondContact O-N 2.84Å; E177-K179 PolarHBondContact O-N 3.49Å; E177-Q180 PolarHBondContact O-N 3.18Å; E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.31Å; E177-V181 PolarHBondContact O-N 3.43Å |
| 178 | M | 89.5 | Confident | 87 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 175.8 | -76.6 | -170.6 | -70.2 | 0 | 0 | 112.5 | E174 V176 Q180 V181 A182 | E174-M178 WeakPolarHBondContact O-CB 3.48Å; E174-M178 VanDerWaalsContact O-CG 3.29Å; E174-M178 WeakPolarHBondContact O-CG 3.37Å; E174-M178 PolarHBondContact O-N 3.04Å; V176-M178 PolarHBondContact O-N 3.02Å; M178-Q180 VanDerWaalsContact C-N 3.34Å; M178-V181 PolarHBondContact O-N 3.34Å; M178-A182 WeakPolarHBondContact O-CB 3.29Å; M178-A182 PolarHBondContact O-N 2.91Å |
| 179 | K | 88 | Confident | 87.8 | Confident | 146 Ų | 146 | 94.6 Ų | 94.6 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 175.1 | -78.3 | 178.1 | -178.7 | 179.5 | 0 | 111.7 | A175 V176 E177 A182 Q183 | A175-K179 WeakPolarHBondContact O-CG 3.49Å; A175-K179 PolarHBondContact O-N 3.42Å; A175-K179 VanDerWaalsContact O-N 3.07Å; V176-K179 PolarHBondContact O-N 2.9Å; E177-K179 PolarHBondContact O-N 3.49Å; K179-A182 PolarHBondContact O-N 3.07Å; K179-Q183 WeakPolarHBondContact O-CB 3.33Å; K179-Q183 VanDerWaalsContact O-CG 3.31Å; K179-Q183 WeakPolarHBondContact O-CG 3.31Å; K179-Q183 PolarHBondContact O-N 2.92Å |
| 180 | Q | 87.4 | Confident | 88.7 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 179.4 | -171.2 | 172.7 | 3.6 | 0 | 0 | 111.4 | V176 E177 M178 Q183 Q184 | V176-Q180 WeakPolarHBondContact O-CB 3.43Å; V176-Q180 PolarHBondContact O-N 3.26Å; E177-Q180 PolarHBondContact O-N 3.18Å; M178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-Q183 PolarHBondContact O-N 2.82Å; Q180-Q184 WeakPolarHBondContact O-CB 3.23Å; Q180-Q184 VanDerWaalsContact O-CG 3.31Å; Q180-Q184 WeakPolarHBondContact O-CG 3.37Å; Q180-Q184 PolarHBondContact O-N 3.17Å |
| 181 | V | 92.7 | Very high | 89.4 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 173 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | E177 M178 Q183 Q184 E185 | E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.31Å; E177-V181 PolarHBondContact O-N 3.43Å; M178-V181 PolarHBondContact O-N 3.34Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 3.46Å; V181-Q184 PolarHBondContact O-N 3.03Å; V181-Q184 VanDerWaalsContact O-N 3.16Å; V181-E185 HydrophobicContact CG1-CG 4.35Å; V181-E185 WeakPolarHBondContact O-CB 3.5Å; V181-E185 WeakPolarHBondContact O-CG 3.39Å; V181-E185 PolarHBondContact O-N 3.39Å |
| 182 | A | 93.5 | Very high | 90.2 | Very high | 54 Ų | 54 | 97.3 Ų | 97.3 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M178 K179 A186 | M178-A182 WeakPolarHBondContact O-CB 3.29Å; M178-A182 PolarHBondContact O-N 2.91Å; K179-A182 PolarHBondContact O-N 3.07Å; A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.37Å |
| 183 | Q | 92.5 | Very high | 91.1 | Very high | 139 Ų | 139 | 99.7 Ų | 99.7 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 174.3 | -77.7 | 177.5 | -14.1 | 0 | 0 | 112.1 | K179 Q180 V181 A186 E187 | K179-Q183 WeakPolarHBondContact O-CB 3.33Å; K179-Q183 VanDerWaalsContact O-CG 3.31Å; K179-Q183 WeakPolarHBondContact O-CG 3.31Å; K179-Q183 PolarHBondContact O-N 2.92Å; Q180-Q183 PolarHBondContact O-N 2.82Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 3.46Å; Q183-A186 PolarHBondContact O-N 3.35Å; Q183-E187 WeakPolarHBondContact O-CB 3.42Å; Q183-E187 PolarHBondContact O-N 3.4Å |
| 184 | Q | 93.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.8 | -73.8 | 178.2 | 27.3 | 0 | 0 | 112.1 | Q180 V181 E187 R188 | Q180-Q184 WeakPolarHBondContact O-CB 3.23Å; Q180-Q184 VanDerWaalsContact O-CG 3.31Å; Q180-Q184 WeakPolarHBondContact O-CG 3.37Å; Q180-Q184 PolarHBondContact O-N 3.17Å; V181-Q184 PolarHBondContact O-N 3.03Å; V181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-E187 PolarHBondContact O-N 2.82Å; Q184-R188 WeakPolarHBondContact O-CB 3.4Å; Q184-R188 VanDerWaalsContact O-CG 3.23Å; Q184-R188 WeakPolarHBondContact O-CG 3.23Å; Q184-R188 PolarHBondContact O-N 2.9Å |
| 185 | E | 95.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 103.1 Ų | 103.1 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 174.9 | -75.1 | 180 | 175.3 | 0 | 0 | 111.4 | V181 R188 A189 | V181-E185 HydrophobicContact CG1-CG 4.35Å; V181-E185 WeakPolarHBondContact O-CB 3.5Å; V181-E185 WeakPolarHBondContact O-CG 3.39Å; V181-E185 PolarHBondContact O-N 3.39Å; E185-R188 PolarHBondContact O-N 3.16Å; E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.13Å |
| 186 | A | 94.8 | Very high | 93 | Very high | 50 Ų | 50 | 104.1 Ų | 104.1 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A182 Q183 A189 R190 | A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.37Å; Q183-A186 PolarHBondContact O-N 3.35Å; A186-A189 PolarHBondContact O-N 2.92Å; A186-R190 WeakPolarHBondContact O-CG 3.39Å; A186-R190 PolarHBondContact O-N 3.33Å |
| 187 | E | 95.9 | Very high | 93.7 | Very high | 137 Ų | 137 | 107.1 Ų | 107.1 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 176 | -171.4 | 174.1 | -169.7 | 0 | 0 | 111.9 | Q183 Q184 A189 R190 F191 | Q183-E187 WeakPolarHBondContact O-CB 3.42Å; Q183-E187 PolarHBondContact O-N 3.4Å; Q184-E187 PolarHBondContact O-N 2.82Å; E187-A189 PolarHBondContact O-N 3.36Å; E187-R190 WeakPolarHBondContact O-CB 3.31Å; E187-R190 PolarHBondContact O-N 3.35Å; E187-F191 WeakPolarHBondContact O-CB 3.3Å; E187-F191 PolarHBondContact O-N 2.84Å |
| 188 | R | 95.9 | Very high | 94.3 | Very high | 162 Ų | 162 | 106.8 Ų | 106.8 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 173.1 | -74.8 | 174.3 | -174.2 | 176.2 | 5.7 | 111.5 | Q184 E185 R190 F191 V192 | Q184-R188 WeakPolarHBondContact O-CB 3.4Å; Q184-R188 VanDerWaalsContact O-CG 3.23Å; Q184-R188 WeakPolarHBondContact O-CG 3.23Å; Q184-R188 PolarHBondContact O-N 2.9Å; E185-R188 PolarHBondContact O-N 3.16Å; R188-R190 VanDerWaalsContact C-N 3.33Å; R188-R190 PolarHBondContact O-N 3.35Å; R188-F191 PolarHBondContact O-N 2.98Å; R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.5Å; R188-V192 PolarHBondContact O-N 2.89Å |
| 189 | A | 95.6 | Very high | 94.6 | Very high | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E185 A186 E187 V192 V193 | E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.13Å; A186-A189 PolarHBondContact O-N 2.92Å; E187-A189 PolarHBondContact O-N 3.36Å; A189-V192 PolarHBondContact O-N 3.16Å; A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 2.88Å |
| 190 | R | 96 | Very high | 95 | Very high | 193 Ų | 193 | 106 Ų | 106 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 173 | -74.4 | 175.7 | 179 | -165.5 | -0.3 | 112 | A186 E187 R188 V192 V193 E194 | A186-R190 WeakPolarHBondContact O-CG 3.39Å; A186-R190 PolarHBondContact O-N 3.33Å; E187-R190 WeakPolarHBondContact O-CB 3.31Å; E187-R190 PolarHBondContact O-N 3.35Å; R188-R190 VanDerWaalsContact C-N 3.33Å; R188-R190 PolarHBondContact O-N 3.35Å; R190-V192 VanDerWaalsContact C-N 3.31Å; R190-V192 PolarHBondContact O-N 3.39Å; R190-V193 PolarHBondContact O-N 3.48Å; R190-E194 WeakPolarHBondContact O-CB 3.33Å; R190-E194 PolarHBondContact O-N 3.4Å |
| 191 | F | 96.5 | Very high | 95.4 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 177.9 | -177.1 | -100.4 | 0 | 0 | 0 | 112.4 | E187 R188 K195 | E187-F191 WeakPolarHBondContact O-CB 3.3Å; E187-F191 PolarHBondContact O-N 2.84Å; R188-F191 PolarHBondContact O-N 2.98Å; F191-K195 WeakPolarHBondContact O-CB 3.37Å; F191-K195 PolarHBondContact O-N 2.87Å |
| 192 | V | 96.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 104.3 Ų | 104.3 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | R188 A189 R190 A196 | R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.5Å; R188-V192 PolarHBondContact O-N 2.89Å; A189-V192 PolarHBondContact O-N 3.16Å; R190-V192 VanDerWaalsContact C-N 3.31Å; R190-V192 PolarHBondContact O-N 3.39Å; V192-A196 WeakPolarHBondContact O-CB 3.21Å; V192-A196 PolarHBondContact O-N 3.49Å |
| 193 | V | 95.5 | Very high | 95.6 | Very high | 83 Ų | 83 | 104.6 Ų | 104.6 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A189 R190 K195 A196 E197 | A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 2.88Å; R190-V193 PolarHBondContact O-N 3.48Å; V193-K195 PolarHBondContact O-N 3.48Å; V193-A196 WeakPolarHBondContact O-CB 3.39Å; V193-A196 PolarHBondContact O-N 3.44Å; V193-A196 VanDerWaalsContact O-N 3.1Å; V193-E197 WeakPolarHBondContact O-CG 3.47Å; V193-E197 PolarHBondContact O-N 3.01Å |
| 194 | E | 96.2 | Very high | 95.8 | Very high | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.7 | -175.3 | 177.7 | -174.5 | 0 | 0 | 111.4 | R190 A196 E197 Q198 | R190-E194 WeakPolarHBondContact O-CB 3.33Å; R190-E194 PolarHBondContact O-N 3.4Å; E194-A196 VanDerWaalsContact C-N 3.29Å; E194-A196 PolarHBondContact O-N 3.33Å; E194-E197 PolarHBondContact O-N 2.89Å; E194-Q198 VanDerWaalsContact O-CG 3.3Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.25Å |
| 195 | K | 97 | Very high | 95.9 | Very high | 121 Ų | 121 | 102.4 Ų | 102.4 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 174.3 | -176 | 178.8 | 179.5 | -179.1 | 0 | 111.7 | F191 V193 Q198 L199 | F191-K195 WeakPolarHBondContact O-CB 3.37Å; F191-K195 PolarHBondContact O-N 2.87Å; V193-K195 PolarHBondContact O-N 3.48Å; K195-Q198 PolarHBondContact O-N 3.27Å; K195-L199 HydrophobicContact CG-CD1 4.26Å; K195-L199 WeakPolarHBondContact O-CB 3.25Å; K195-L199 VanDerWaalsContact O-CG 3.25Å; K195-L199 WeakPolarHBondContact O-CG 3.43Å; K195-L199 PolarHBondContact O-N 2.96Å |
| 196 | A | 96 | Very high | 95.9 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V192 V193 E194 L199 K200 | V192-A196 WeakPolarHBondContact O-CB 3.21Å; V192-A196 PolarHBondContact O-N 3.49Å; V193-A196 WeakPolarHBondContact O-CB 3.39Å; V193-A196 PolarHBondContact O-N 3.44Å; V193-A196 VanDerWaalsContact O-N 3.1Å; E194-A196 VanDerWaalsContact C-N 3.29Å; E194-A196 PolarHBondContact O-N 3.33Å; A196-L199 PolarHBondContact O-N 2.9Å; A196-K200 WeakPolarHBondContact O-CB 3.3Å; A196-K200 PolarHBondContact O-N 3.25Å |
| 197 | E | 96.1 | Very high | 95.9 | Very high | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 173.9 | -72.1 | 179.7 | 171.9 | 0 | 0 | 111.8 | V193 E194 L199 K200 M201 | V193-E197 WeakPolarHBondContact O-CG 3.47Å; V193-E197 PolarHBondContact O-N 3.01Å; E194-E197 PolarHBondContact O-N 2.89Å; E197-L199 PolarHBondContact O-N 3.37Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.37Å; E197-M201 WeakPolarHBondContact O-CG 3.2Å; E197-M201 PolarHBondContact O-N 2.91Å |
| 198 | Q | 95.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.6 | -67.6 | -62.2 | -26.5 | 0 | 0 | 111.7 | E194 K195 K200 M201 A202 | E194-Q198 VanDerWaalsContact O-CG 3.3Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.25Å; K195-Q198 PolarHBondContact O-N 3.27Å; Q198-K200 VanDerWaalsContact C-N 3.34Å; Q198-K200 PolarHBondContact O-N 3.26Å; Q198-M201 VanDerWaalsContact CD-CE 3.42Å; Q198-M201 HydrophobicContact CG-CE 4.33Å; Q198-M201 VanDerWaalsContact NE2-CE 3.34Å; Q198-M201 PolarHBondContact O-N 3.49Å; Q198-A202 WeakPolarHBondContact O-CB 3.2Å; Q198-A202 PolarHBondContact O-N 3.39Å |
| 199 | L | 96 | Very high | 95.9 | Very high | 111 Ų | 111 | 94.6 Ų | 94.6 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 175.1 | -73.5 | 172.8 | 0 | 0 | 0 | 112.1 | K195 A196 E197 A202 A203 | K195-L199 HydrophobicContact CG-CD1 4.26Å; K195-L199 WeakPolarHBondContact O-CB 3.25Å; K195-L199 VanDerWaalsContact O-CG 3.25Å; K195-L199 WeakPolarHBondContact O-CG 3.43Å; K195-L199 PolarHBondContact O-N 2.96Å; A196-L199 PolarHBondContact O-N 2.9Å; E197-L199 PolarHBondContact O-N 3.37Å; L199-A202 PolarHBondContact O-N 2.9Å; L199-A203 WeakPolarHBondContact O-CB 3.49Å; L199-A203 PolarHBondContact O-N 2.95Å |
| 200 | K | 95.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 97 Ų | 97 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 174.7 | -179.5 | -175.8 | 175.1 | -174 | 0 | 111.3 | A196 E197 Q198 A203 I204 | A196-K200 WeakPolarHBondContact O-CB 3.3Å; A196-K200 PolarHBondContact O-N 3.25Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.37Å; Q198-K200 VanDerWaalsContact C-N 3.34Å; Q198-K200 PolarHBondContact O-N 3.26Å; K200-A203 PolarHBondContact O-N 3.48Å; K200-I204 HydrophobicContact CG-CD1 4.17Å; K200-I204 WeakPolarHBondContact O-CG1 3.42Å; K200-I204 PolarHBondContact O-N 2.86Å |
| 201 | M | 95.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 90.4 Ų | 90.4 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 176.5 | -72 | -172.8 | -67.5 | 0 | 0 | 111.1 | E197 Q198 A203 I204 T205 | E197-M201 WeakPolarHBondContact O-CG 3.2Å; E197-M201 PolarHBondContact O-N 2.91Å; Q198-M201 VanDerWaalsContact CD-CE 3.42Å; Q198-M201 HydrophobicContact CG-CE 4.33Å; Q198-M201 VanDerWaalsContact NE2-CE 3.34Å; Q198-M201 PolarHBondContact O-N 3.49Å; M201-A203 VanDerWaalsContact C-N 3.29Å; M201-A203 PolarHBondContact O-N 3.44Å; M201-I204 PolarHBondContact O-N 2.86Å; M201-T205 PolarHBondContact O-N 3.18Å; M201-T205 PolarHBondContact O-OG1 3.1Å; M201-T205 VanDerWaalsContact O-OG1 3.05Å |
| 202 | A | 95.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 88.4 Ų | 88.4 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q198 L199 T206 | Q198-A202 WeakPolarHBondContact O-CB 3.2Å; Q198-A202 PolarHBondContact O-N 3.39Å; L199-A202 PolarHBondContact O-N 2.9Å; A202-T206 WeakPolarHBondContact O-CB 3.47Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 2.96Å |
| 203 | A | 96.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 86 Ų | 86 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L199 K200 M201 T206 A207 | L199-A203 WeakPolarHBondContact O-CB 3.49Å; L199-A203 PolarHBondContact O-N 2.95Å; K200-A203 PolarHBondContact O-N 3.48Å; M201-A203 VanDerWaalsContact C-N 3.29Å; M201-A203 PolarHBondContact O-N 3.44Å; A203-T206 PolarHBondContact O-N 2.91Å; A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.44Å |
| 204 | I | 96.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 85 Ų | 85 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 175.4 | -66.6 | 166.7 | 0 | 0 | 0 | 110.2 | K200 M201 T206 A207 E208 | K200-I204 HydrophobicContact CG-CD1 4.17Å; K200-I204 WeakPolarHBondContact O-CG1 3.42Å; K200-I204 PolarHBondContact O-N 2.86Å; M201-I204 PolarHBondContact O-N 2.86Å; I204-T206 VanDerWaalsContact C-N 3.29Å; I204-T206 PolarHBondContact O-N 3.05Å; I204-A207 PolarHBondContact O-N 3.24Å; I204-E208 HydrophobicContact CG2-CG 4.28Å; I204-E208 WeakPolarHBondContact O-CB 3.18Å; I204-E208 WeakPolarHBondContact O-CG 3.44Å; I204-E208 PolarHBondContact O-N 2.91Å |
| 205 | T | 95.2 | Very high | 95.2 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -37.1 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | M201 G209 | M201-T205 PolarHBondContact O-N 3.18Å; M201-T205 PolarHBondContact O-OG1 3.1Å; M201-T205 VanDerWaalsContact O-OG1 3.05Å; T205-G209 PolarHBondContact O-N 3.36Å |
| 206 | T | 94.8 | Very high | 94.9 | Very high | 85 Ų | 85 | 85 Ų | 85 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 175.4 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | A202 A203 I204 G209 D210 | A202-T206 WeakPolarHBondContact O-CB 3.47Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 2.96Å; A203-T206 PolarHBondContact O-N 2.91Å; I204-T206 VanDerWaalsContact C-N 3.29Å; I204-T206 PolarHBondContact O-N 3.05Å; T206-G209 PolarHBondContact O-N 3.2Å; T206-D210 VanDerWaalsContact O-CG 3.31Å; T206-D210 PolarHBondContact O-N 2.88Å |
| 207 | A | 95.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 86.6 Ų | 86.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A203 I204 D210 A211 | A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.44Å; I204-A207 PolarHBondContact O-N 3.24Å; A207-D210 PolarHBondContact O-N 3.46Å; A207-A211 WeakPolarHBondContact O-CB 3.45Å; A207-A211 PolarHBondContact O-N 3.29Å |
| 208 | E | 95.5 | Very high | 94.1 | Very high | 119 Ų | 119 | 83.6 Ų | 83.6 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 172.1 | -72.7 | 176.2 | 170.3 | 0 | 0 | 111.3 | I204 D210 A211 V212 | I204-E208 HydrophobicContact CG2-CG 4.28Å; I204-E208 WeakPolarHBondContact O-CB 3.18Å; I204-E208 WeakPolarHBondContact O-CG 3.44Å; I204-E208 PolarHBondContact O-N 2.91Å; E208-D210 VanDerWaalsContact C-N 3.33Å; E208-D210 PolarHBondContact O-N 2.96Å; E208-A211 PolarHBondContact O-N 3.44Å; E208-V212 WeakPolarHBondContact O-CB 3.42Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.42Å; E208-V212 PolarHBondContact O-N 2.92Å |
| 209 | G | 96.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 84.6 Ų | 84.6 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T205 T206 A213 | T205-G209 PolarHBondContact O-N 3.36Å; T206-G209 PolarHBondContact O-N 3.2Å; G209-A213 WeakPolarHBondContact O-CB 3.42Å; G209-A213 PolarHBondContact O-N 3.33Å |
| 210 | D | 94.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 80.3 Ų | 80.3 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 176.7 | -71.6 | -20.7 | 0 | 0 | 0 | 111.9 | T206 A207 E208 A213 A214 | T206-D210 VanDerWaalsContact O-CG 3.31Å; T206-D210 PolarHBondContact O-N 2.88Å; A207-D210 PolarHBondContact O-N 3.46Å; E208-D210 VanDerWaalsContact C-N 3.33Å; E208-D210 PolarHBondContact O-N 2.96Å; D210-A213 PolarHBondContact O-N 3.31Å; D210-A214 VanDerWaalsContact O-CB 3.28Å; D210-A214 WeakPolarHBondContact O-CB 3.35Å; D210-A214 PolarHBondContact O-N 2.96Å |
| 211 | A | 94.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 77 Ų | 77 | 45% | 0.446 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A207 E208 A214 E215 | A207-A211 WeakPolarHBondContact O-CB 3.45Å; A207-A211 PolarHBondContact O-N 3.29Å; E208-A211 PolarHBondContact O-N 3.44Å; A211-A214 PolarHBondContact O-N 3.47Å; A211-E215 WeakPolarHBondContact O-CG 3.4Å; A211-E215 PolarHBondContact O-N 2.85Å |
| 212 | V | 94.7 | Very high | 92.1 | Very high | 90 Ų | 90 | 80.6 Ų | 80.6 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | E208 E215 L216 | E208-V212 WeakPolarHBondContact O-CB 3.42Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.42Å; E208-V212 PolarHBondContact O-N 2.92Å; V212-E215 PolarHBondContact O-N 2.72Å; V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 PolarHBondContact O-N 3.34Å |
| 213 | A | 93.3 | Very high | 91.5 | Very high | 46 Ų | 46 | 83.2 Ų | 83.2 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G209 D210 L216 L217 | G209-A213 WeakPolarHBondContact O-CB 3.42Å; G209-A213 PolarHBondContact O-N 3.33Å; D210-A213 PolarHBondContact O-N 3.31Å; A213-L216 PolarHBondContact O-N 2.88Å; A213-L217 WeakPolarHBondContact O-CB 3.48Å; A213-L217 VanDerWaalsContact O-CG 3.29Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3.22Å |
| 214 | A | 92.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 89 Ų | 89 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D210 A211 L217 A218 | D210-A214 VanDerWaalsContact O-CB 3.28Å; D210-A214 WeakPolarHBondContact O-CB 3.35Å; D210-A214 PolarHBondContact O-N 2.96Å; A211-A214 PolarHBondContact O-N 3.47Å; A214-L217 PolarHBondContact O-N 3.49Å; A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 2.65Å |
| 215 | E | 92.7 | Very high | 89.7 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.4 | -75.4 | -171.7 | -174.9 | 0 | 0 | 112.5 | A211 V212 A218 K219 | A211-E215 WeakPolarHBondContact O-CG 3.4Å; A211-E215 PolarHBondContact O-N 2.85Å; V212-E215 PolarHBondContact O-N 2.72Å; E215-A218 PolarHBondContact O-N 3.44Å; E215-K219 WeakPolarHBondContact O-CG 3.43Å; E215-K219 PolarHBondContact O-N 3.38Å |
| 216 | L | 90.7 | Very high | 89.1 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.2 | -42.9 | 179.5 | -165.4 | 155.4 | 0 | 0 | 0 | 110.9 | V212 A213 K219 A220 | V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 PolarHBondContact O-N 3.34Å; A213-L216 PolarHBondContact O-N 2.88Å; L216-K219 PolarHBondContact O-N 3.48Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.94Å |
| 217 | L | 86.9 | Confident | 88.6 | Confident | 89 Ų | 89 | 86 Ų | 86 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 173 | -76.3 | 172.9 | 0 | 0 | 0 | 111.5 | A213 A214 K219 A220 F221 | A213-L217 WeakPolarHBondContact O-CB 3.48Å; A213-L217 VanDerWaalsContact O-CG 3.29Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3.22Å; A214-L217 PolarHBondContact O-N 3.49Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3.49Å; L217-A220 PolarHBondContact O-N 2.96Å; L217-A220 VanDerWaalsContact O-N 3.15Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CB-CE2 4.06Å; L217-F221 HydrophobicContact CD2-CZ 4.46Å; L217-F221 WeakPolarHBondContact O-CD2 3.41Å; L217-F221 WeakPolarHBondContact O-CG 3.35Å; L217-F221 PolarHBondContact O-N 2.95Å |
| 218 | A | 87.2 | Confident | 88 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A214 E215 Q222 | A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 2.65Å; E215-A218 PolarHBondContact O-N 3.44Å; A218-Q222 VanDerWaalsContact O-CG 3.31Å; A218-Q222 WeakPolarHBondContact O-CG 3.48Å; A218-Q222 PolarHBondContact O-N 3.11Å |
| 219 | K | 88.7 | Confident | 87.5 | Confident | 125 Ų | 125 | 84.2 Ų | 84.2 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.5 | -70.7 | 170.2 | -174.4 | 165.4 | 0 | 112.2 | E215 L216 L217 Q222 T223 | E215-K219 WeakPolarHBondContact O-CG 3.43Å; E215-K219 PolarHBondContact O-N 3.38Å; L216-K219 PolarHBondContact O-N 3.48Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3.49Å; K219-Q222 PolarHBondContact O-N 3.15Å; K219-T223 PolarHBondContact O-N 2.98Å; K219-T223 VanDerWaalsContact O-N 3.08Å; K219-T223 PolarHBondContact O-OG1 2.84Å |
| 220 | A | 86.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 87.7 Ų | 87.7 | 17% | 0.165 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L216 L217 Q222 T223 Y224 | L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.94Å; L217-A220 PolarHBondContact O-N 2.96Å; L217-A220 VanDerWaalsContact O-N 3.15Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.03Å; A220-T223 PolarHBondContact O-N 3.39Å; A220-T223 VanDerWaalsContact O-N 3.09Å; A220-Y224 HydrophobicContact CB-CD2 4.31Å; A220-Y224 WeakPolarHBondContact O-CD2 3.41Å; A220-Y224 PolarHBondContact O-N 3.23Å |
| 221 | F | 83.5 | Confident | 86.8 | Confident | 75 Ų | 75 | 87 Ų | 87 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 174.8 | -67.3 | -46.1 | 0 | 0 | 0 | 112.4 | L217 T223 G225 L228 I229 | L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CB-CE2 4.06Å; L217-F221 HydrophobicContact CD2-CZ 4.46Å; L217-F221 WeakPolarHBondContact O-CD2 3.41Å; L217-F221 WeakPolarHBondContact O-CG 3.35Å; L217-F221 PolarHBondContact O-N 2.95Å; F221-T223 VanDerWaalsContact C-N 3.26Å; F221-T223 PolarHBondContact O-N 2.79Å; F221-G225 WeakPolarHBondContact O-CA 3.38Å; F221-G225 PolarHBondContact O-N 2.93Å; F221-L228 HydrophobicContact CD1-CD2 4.04Å; F221-L228 HydrophobicContact CE1-CD2 3.91Å; F221-L228 HydrophobicContact CE1-CG 4.2Å; F221-I229 HydrophobicContact CD1-CD1 4.31Å; F221-I229 HydrophobicContact CD1-CG1 3.82Å; F221-I229 HydrophobicContact CE1-CG1 3.9Å; F221-I229 HydrophobicContact CG-CG1 4.48Å |
| 222 | Q | 83.2 | Confident | 86.4 | Confident | 165 Ų | 165 | 91.8 Ų | 91.8 | 77% | 0.771 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -34.5 | 171.7 | -74.6 | 175 | 2.1 | 0 | 0 | 112.6 | A218 K219 A220 | A218-Q222 VanDerWaalsContact O-CG 3.31Å; A218-Q222 WeakPolarHBondContact O-CG 3.48Å; A218-Q222 PolarHBondContact O-N 3.11Å; K219-Q222 PolarHBondContact O-N 3.15Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.03Å |
| 223 | T | 82.2 | Confident | 86.2 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 66% | 0.656 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -86.7 | -43.7 | -174.2 | -51.9 | 0 | 0 | 0 | 0 | 113.1 | K219 A220 F221 | K219-T223 PolarHBondContact O-N 2.98Å; K219-T223 VanDerWaalsContact O-N 3.08Å; K219-T223 PolarHBondContact O-OG1 2.84Å; A220-T223 PolarHBondContact O-N 3.39Å; A220-T223 VanDerWaalsContact O-N 3.09Å; F221-T223 VanDerWaalsContact C-N 3.26Å; F221-T223 PolarHBondContact O-N 2.79Å |
| 224 | Y | 79.6 | Confident | 86.2 | Confident | 182 Ų | 182 | 98.7 Ų | 98.7 | 71% | 0.714 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -97.7 | -8.7 | -174.6 | -62.8 | -75.1 | 0 | 0 | 0 | 114 | A220 | A220-Y224 HydrophobicContact CB-CD2 4.31Å; A220-Y224 WeakPolarHBondContact O-CD2 3.41Å; A220-Y224 PolarHBondContact O-N 3.23Å |
| 225 | G | 76.5 | Confident | 86.3 | Confident | 31 Ų | 31 | 99.6 Ų | 99.6 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | trans | 78.2 | -178.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | F221 G227 L228 | F221-G225 WeakPolarHBondContact O-CA 3.38Å; F221-G225 PolarHBondContact O-N 2.93Å; G225-G227 PolarHBondContact O-N 3.45Å; G225-L228 PolarHBondContact O-N 3.05Å | ||
| 226 | D | 81.5 | Confident | 86.4 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.5 | -171.6 | -159.3 | 22.3 | 0 | 0 | 0 | 114 | L228 I229 E230 | D226-L228 PolarHBondContact O-N 3.18Å; D226-I229 WeakPolarHBondContact O-CB 3.47Å; D226-I229 PolarHBondContact O-N 3.35Å; D226-E230 PolarHBondContact O-N 2.87Å; D226-E230 VanDerWaalsContact O-N 3.16Å |
| 227 | G | 83.8 | Confident | 86.5 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G225 I229 L231 | G225-G227 PolarHBondContact O-N 3.45Å; G227-I229 VanDerWaalsContact C-N 3.34Å; G227-L231 PolarHBondContact O-N 2.88Å |
| 228 | L | 82.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.1 | -32.6 | 174.8 | -174.6 | 64.2 | 0 | 0 | 0 | 112 | F221 G225 D226 R232 | F221-L228 HydrophobicContact CD1-CD2 4.04Å; F221-L228 HydrophobicContact CE1-CD2 3.91Å; F221-L228 HydrophobicContact CE1-CG 4.2Å; G225-L228 PolarHBondContact O-N 3.05Å; D226-L228 PolarHBondContact O-N 3.18Å; L228-R232 WeakPolarHBondContact O-CB 3.29Å; L228-R232 PolarHBondContact O-N 3.23Å |
| 229 | I | 85.2 | Confident | 87.1 | Confident | 66 Ų | 66 | 99 Ų | 99 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 179.7 | -59.5 | 175.3 | 0 | 0 | 0 | 110 | F221 D226 G227 R232 R233 | F221-I229 HydrophobicContact CD1-CD1 4.31Å; F221-I229 HydrophobicContact CD1-CG1 3.82Å; F221-I229 HydrophobicContact CE1-CG1 3.9Å; F221-I229 HydrophobicContact CG-CG1 4.48Å; D226-I229 WeakPolarHBondContact O-CB 3.47Å; D226-I229 PolarHBondContact O-N 3.35Å; G227-I229 VanDerWaalsContact C-N 3.34Å; I229-R232 PolarHBondContact O-N 3.03Å; I229-R233 WeakPolarHBondContact O-CB 3.49Å; I229-R233 PolarHBondContact O-N 2.93Å |
| 230 | E | 87.5 | Confident | 87.2 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.7 | -70.5 | -166.5 | 148.6 | 0 | 0 | 111.9 | D226 R232 R233 I234 | D226-E230 PolarHBondContact O-N 2.87Å; D226-E230 VanDerWaalsContact O-N 3.16Å; E230-R232 VanDerWaalsContact C-N 3.32Å; E230-R232 PolarHBondContact O-N 3.18Å; E230-R233 WeakPolarHBondContact O-CB 3.47Å; E230-R233 PolarHBondContact O-N 3.41Å; E230-I234 WeakPolarHBondContact O-CG1 3.46Å; E230-I234 PolarHBondContact O-N 3.32Å |
| 231 | L | 88 | Confident | 87.3 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 175.4 | -178.3 | 63.4 | 0 | 0 | 0 | 111.1 | G227 R233 I234 E235 | G227-L231 PolarHBondContact O-N 2.88Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.04Å; L231-I234 PolarHBondContact O-N 3.05Å; L231-I234 VanDerWaalsContact O-N 3.15Å; L231-E235 WeakPolarHBondContact O-CG 3.32Å; L231-E235 PolarHBondContact O-N 2.85Å |
| 232 | R | 86.6 | Confident | 87.6 | Confident | 155 Ų | 155 | 97.6 Ų | 97.6 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -34.8 | 179.7 | -167.6 | 60.7 | 177.9 | 166.7 | 3.5 | 112.9 | L228 I229 E230 I234 E235 A236 | L228-R232 WeakPolarHBondContact O-CB 3.29Å; L228-R232 PolarHBondContact O-N 3.23Å; I229-R232 PolarHBondContact O-N 3.03Å; E230-R232 VanDerWaalsContact C-N 3.32Å; E230-R232 PolarHBondContact O-N 3.18Å; R232-I234 VanDerWaalsContact C-N 3.35Å; R232-E235 WeakPolarHBondContact CD-OE2 3.49Å; R232-E235 IonicContact CZ-OE2 3.8Å; R232-E235 IonicContact NH1-OE2 2.79Å; R232-E235 PolarHBondContact NH1-OE2 3.43Å; R232-A236 WeakPolarHBondContact O-CB 3.16Å; R232-A236 PolarHBondContact O-N 2.96Å |
| 233 | R | 91.6 | Very high | 87.8 | Confident | 176 Ų | 176 | 95 Ų | 95 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.8 | -177.6 | -174.3 | -70.2 | 170.6 | 0.3 | 111 | I229 E230 L231 S237 | I229-R233 WeakPolarHBondContact O-CB 3.49Å; I229-R233 PolarHBondContact O-N 2.93Å; E230-R233 WeakPolarHBondContact O-CB 3.47Å; E230-R233 PolarHBondContact O-N 3.41Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.04Å; R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.16Å; R233-S237 PolarHBondContact O-OG 3.47Å |
| 234 | I | 93.7 | Very high | 88.1 | Confident | 104 Ų | 104 | 92.9 Ų | 92.9 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 177.2 | -65.5 | 166.9 | 0 | 0 | 0 | 110 | E230 L231 R232 A236 S237 E238 | E230-I234 WeakPolarHBondContact O-CG1 3.46Å; E230-I234 PolarHBondContact O-N 3.32Å; L231-I234 PolarHBondContact O-N 3.05Å; L231-I234 VanDerWaalsContact O-N 3.15Å; R232-I234 VanDerWaalsContact C-N 3.35Å; I234-A236 VanDerWaalsContact C-N 3.34Å; I234-A236 PolarHBondContact O-N 3.29Å; I234-S237 WeakPolarHBondContact CA-OG 3.32Å; I234-S237 PolarHBondContact O-N 3.32Å; I234-S237 VanDerWaalsContact O-N 3.11Å; I234-S237 PolarHBondContact O-OG 2.9Å; I234-E238 PolarHBondContact O-N 2.86Å |
| 235 | E | 93.7 | Very high | 88.2 | Confident | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 177 | -70.7 | 177 | 172.5 | 0 | 0 | 112.3 | L231 R232 S237 E238 E239 | L231-E235 WeakPolarHBondContact O-CG 3.32Å; L231-E235 PolarHBondContact O-N 2.85Å; R232-E235 WeakPolarHBondContact CD-OE2 3.49Å; R232-E235 IonicContact CZ-OE2 3.8Å; R232-E235 IonicContact NH1-OE2 2.79Å; R232-E235 PolarHBondContact NH1-OE2 3.43Å; E235-S237 VanDerWaalsContact C-N 3.33Å; E235-S237 PolarHBondContact O-N 2.83Å; E235-E238 WeakPolarHBondContact O-CB 3.39Å; E235-E238 PolarHBondContact O-N 3.2Å; E235-E239 PolarHBondContact O-N 3.21Å |
| 236 | A | 94.5 | Very high | 88.5 | Confident | 39 Ų | 39 | 96.8 Ų | 96.8 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | R232 I234 E238 E239 I240 | R232-A236 WeakPolarHBondContact O-CB 3.16Å; R232-A236 PolarHBondContact O-N 2.96Å; I234-A236 VanDerWaalsContact C-N 3.34Å; I234-A236 PolarHBondContact O-N 3.29Å; A236-E238 VanDerWaalsContact C-N 3.33Å; A236-E239 PolarHBondContact O-N 3.24Å; A236-I240 WeakPolarHBondContact O-CB 3.12Å; A236-I240 WeakPolarHBondContact O-CD1 3.37Å; A236-I240 WeakPolarHBondContact O-CG1 3.35Å; A236-I240 PolarHBondContact O-N 2.98Å |
| 237 | S | 92.8 | Very high | 88.7 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 175.2 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | R233 I234 E235 A241 | R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.16Å; R233-S237 PolarHBondContact O-OG 3.47Å; I234-S237 WeakPolarHBondContact CA-OG 3.32Å; I234-S237 PolarHBondContact O-N 3.32Å; I234-S237 VanDerWaalsContact O-N 3.11Å; I234-S237 PolarHBondContact O-OG 2.9Å; E235-S237 VanDerWaalsContact C-N 3.33Å; E235-S237 PolarHBondContact O-N 2.83Å; S237-A241 WeakPolarHBondContact O-CB 3.32Å; S237-A241 PolarHBondContact O-N 3.43Å |
| 238 | E | 94 | Very high | 88.4 | Confident | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 174.5 | -174.6 | -176.2 | 170.8 | 0 | 0 | 111.1 | I234 E235 A236 A241 A242 | I234-E238 PolarHBondContact O-N 2.86Å; E235-E238 WeakPolarHBondContact O-CB 3.39Å; E235-E238 PolarHBondContact O-N 3.2Å; A236-E238 VanDerWaalsContact C-N 3.33Å; E238-A241 PolarHBondContact O-N 3.41Å; E238-A242 WeakPolarHBondContact O-CB 3.49Å; E238-A242 PolarHBondContact O-N 3.3Å |
| 239 | E | 93.1 | Very high | 88.2 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 178 | -171.3 | -177.9 | 175.2 | 0 | 0 | 111.9 | E235 A236 A241 A242 Q243 | E235-E239 PolarHBondContact O-N 3.21Å; A236-E239 PolarHBondContact O-N 3.24Å; E239-A241 PolarHBondContact O-N 2.81Å; E239-A242 PolarHBondContact O-N 3.42Å; E239-Q243 WeakPolarHBondContact O-CG 3.34Å; E239-Q243 PolarHBondContact O-N 3.42Å; E239-Q243 PolarHBondContact OE1-NE2 2.85Å |
| 240 | I | 91.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 110.3 Ų | 110.3 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.3 | -67.4 | 166.4 | 0 | 0 | 0 | 109.6 | A236 A242 Q243 L244 | A236-I240 WeakPolarHBondContact O-CB 3.12Å; A236-I240 WeakPolarHBondContact O-CD1 3.37Å; A236-I240 WeakPolarHBondContact O-CG1 3.35Å; A236-I240 PolarHBondContact O-N 2.98Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 2.9Å; I240-Q243 PolarHBondContact O-N 3.49Å; I240-L244 HydrophobicContact CG2-CD1 3.58Å; I240-L244 HydrophobicContact CG2-CG 4.02Å; I240-L244 WeakPolarHBondContact O-CB 3.48Å; I240-L244 WeakPolarHBondContact O-CG 3.35Å; I240-L244 PolarHBondContact O-N 3.34Å |
| 241 | A | 88.3 | Confident | 87.1 | Confident | 44 Ų | 44 | 110.7 Ų | 110.7 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S237 E238 E239 L244 A245 | S237-A241 WeakPolarHBondContact O-CB 3.32Å; S237-A241 PolarHBondContact O-N 3.43Å; E238-A241 PolarHBondContact O-N 3.41Å; E239-A241 PolarHBondContact O-N 2.81Å; A241-L244 PolarHBondContact O-N 2.9Å; A241-A245 VanDerWaalsContact O-CB 3.23Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 2.95Å |
| 242 | A | 89 | Confident | 86.4 | Confident | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | E238 E239 I240 R246 | E238-A242 WeakPolarHBondContact O-CB 3.49Å; E238-A242 PolarHBondContact O-N 3.3Å; E239-A242 PolarHBondContact O-N 3.42Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 2.9Å; A242-R246 WeakPolarHBondContact O-CG 3.35Å |
| 243 | Q | 88.6 | Confident | 85.8 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -44.4 | 175 | -71.7 | -174.6 | 9.8 | 0 | 0 | 111.5 | E239 I240 R246 | E239-Q243 WeakPolarHBondContact O-CG 3.34Å; E239-Q243 PolarHBondContact O-N 3.42Å; E239-Q243 PolarHBondContact OE1-NE2 2.85Å; I240-Q243 PolarHBondContact O-N 3.49Å; Q243-R246 PolarHBondContact O-N 2.84Å |
| 244 | L | 86.9 | Confident | 85 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 33% | 0.325 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | -180 | -66.3 | 177 | 0 | 0 | 0 | 111.7 | I240 A241 R246 Q247 I250 | I240-L244 HydrophobicContact CG2-CD1 3.58Å; I240-L244 HydrophobicContact CG2-CG 4.02Å; I240-L244 WeakPolarHBondContact O-CB 3.48Å; I240-L244 WeakPolarHBondContact O-CG 3.35Å; I240-L244 PolarHBondContact O-N 3.34Å; A241-L244 PolarHBondContact O-N 2.9Å; L244-R246 PolarHBondContact O-N 3.39Å; L244-R246 VanDerWaalsContact O-N 3.16Å; L244-Q247 PolarHBondContact O-N 3.06Å; L244-I250 VanDerWaalsContact CA-CD1 3.49Å; L244-I250 HydrophobicContact CB-CD1 3.55Å; L244-I250 HydrophobicContact CB-CG2 4.44Å; L244-I250 HydrophobicContact CD2-CD1 3.21Å; L244-I250 HydrophobicContact CG-CD1 3.88Å; L244-I250 WeakPolarHBondContact O-CD1 3.46Å |
| 245 | A | 83.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 107.5 Ų | 107.5 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -25.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A241 | A241-A245 VanDerWaalsContact O-CB 3.23Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 2.95Å |
| 246 | R | 82.8 | Confident | 82.9 | Confident | 220 Ų | 220 | 108 Ų | 108 | 83% | 0.83 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.2 | -21.8 | 175.5 | -73.6 | 179.3 | -178.4 | 177.1 | 2.9 | 113.6 | A242 Q243 L244 | A242-R246 WeakPolarHBondContact O-CG 3.35Å; Q243-R246 PolarHBondContact O-N 2.84Å; L244-R246 PolarHBondContact O-N 3.39Å; L244-R246 VanDerWaalsContact O-N 3.16Å |
| 247 | Q | 85 | Confident | 81.6 | Confident | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | trans | -83.9 | 130.5 | -178.1 | -58.1 | -174.8 | -2 | 0 | 0 | 110.2 | L244 N249 I250 | L244-Q247 PolarHBondContact O-N 3.06Å; Q247-N249 PolarHBondContact O-N 3.4Å; Q247-I250 HydrophobicContact CB-CD1 3.82Å; Q247-I250 HydrophobicContact CB-CG1 4.16Å; Q247-I250 HydrophobicContact CG-CD1 4.29Å | ||
| 248 | R | 77.6 | Confident | 80.2 | Confident | 260 Ų | 260 | 117.1 Ų | 117.1 | 98% | 0.981 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -13.2 | -178.4 | -68.2 | -177.1 | 176.8 | -174 | -1.4 | 114.4 | ||
| 249 | N | 78.8 | Confident | 78.9 | Confident | 155 Ų | 155 | 113.7 Ų | 113.7 | 83% | 0.829 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 27 | -170 | -156.1 | 32.2 | 0 | 0 | 0 | 113.4 | Q247 | Q247-N249 PolarHBondContact O-N 3.4Š|
| 250 | I | 75.2 | Confident | 77.7 | Confident | 52 Ų | 52 | 116.6 Ų | 116.6 | 27% | 0.267 | 63% | 0.626 | S | S | . | * | trans | -115.1 | 123.1 | -179.6 | -65.6 | 179 | 0 | 0 | 0 | 109.1 | L244 Q247 Y252 | L244-I250 VanDerWaalsContact CA-CD1 3.49Å; L244-I250 HydrophobicContact CB-CD1 3.55Å; L244-I250 HydrophobicContact CB-CG2 4.44Å; L244-I250 HydrophobicContact CD2-CD1 3.21Å; L244-I250 HydrophobicContact CG-CD1 3.88Å; L244-I250 WeakPolarHBondContact O-CD1 3.46Å; Q247-I250 HydrophobicContact CB-CD1 3.82Å; Q247-I250 HydrophobicContact CB-CG1 4.16Å; Q247-I250 HydrophobicContact CG-CD1 4.29Å; I250-Y252 HydrophobicContact CG2-CE2 4.49Å | ||
| 251 | T | 74.9 | Confident | 76.5 | Confident | 122 Ų | 122 | 118.4 Ų | 118.4 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | trans | -118.1 | 123.6 | 176.3 | -58 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 252 | Y | 71.5 | Confident | 75.7 | Confident | 157 Ų | 157 | 123.8 Ų | 123.8 | 62% | 0.616 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 122.7 | 176.3 | -71.3 | -88 | 0 | 0 | 0 | 109.9 | I250 | I250-Y252 HydrophobicContact CG2-CE2 4.49Š|
| 253 | L | 75.4 | Confident | 74.7 | Confident | 92 Ų | 92 | 128 Ų | 128 | 48% | 0.482 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -98.2 | 123.7 | 174.2 | -66.4 | 168.8 | 0 | 0 | 0 | 108.9 | V259 | L253-V259 HydrophobicContact CD2-CB 3.63Å; L253-V259 HydrophobicContact CD2-CG1 4.03Å; L253-V259 HydrophobicContact CD2-CG2 3.51Å |
| 254 | P | 74.7 | Confident | 73.7 | Confident | 69 Ų | 69 | 127.9 Ų | 127.9 | 45% | 0.448 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 143.6 | 172.6 | 27.1 | -31.9 | 0 | 0 | 0 | 110.1 | G256 Q257 | P254-G256 PolarHBondContact O-N 3.08Å; P254-Q257 HydrophobicContact CG-CB 4.12Å; P254-Q257 PolarHBondContact O-N 3.09Å |
| 255 | P | 70.3 | Confident | 72.4 | Confident | 141 Ų | 141 | 129.6 Ų | 129.6 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 127.4 | 180 | 24.5 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 256 | G | 72 | Confident | 70.9 | Confident | 90 Ų | 90 | 135.3 Ų | 135.3 | 93% | 0.928 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.4 | 5.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | P254 | P254-G256 PolarHBondContact O-N 3.08Š|
| 257 | Q | 67.6 | Low | 69.2 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 58% | 0.575 | 74% | 0.738 | S | S | * | * | trans | -102.3 | 111.6 | 174.1 | -163.5 | 171.2 | 7.8 | 0 | 0 | 111 | P254 V259 | P254-Q257 HydrophobicContact CG-CB 4.12Å; P254-Q257 PolarHBondContact O-N 3.09Å; Q257-V259 VanDerWaalsContact C-N 3.29Å; Q257-V259 HydrophobicContact CB-CG2 4.3Å; Q257-V259 HydrophobicContact CG-CG2 3.85Å; Q257-V259 PolarHBondContact O-N 3.47Å | ||
| 258 | D | 64.7 | Low | 68.4 | Low | 172 Ų | 172 | 138.7 Ų | 138.7 | 92% | 0.92 | 75% | 0.748 | S | S | * | * | trans | -68.1 | 85.3 | 169.1 | -92.7 | -28.3 | 0 | 0 | 0 | 109.4 | ||||
| 259 | V | 66.3 | Low | 67.9 | Low | 65 Ų | 65 | 132.3 Ų | 132.3 | 39% | 0.394 | 74% | 0.736 | S | S | . | * | trans | -84.5 | 116.1 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | L253 Q257 L261 | L253-V259 HydrophobicContact CD2-CB 3.63Å; L253-V259 HydrophobicContact CD2-CG1 4.03Å; L253-V259 HydrophobicContact CD2-CG2 3.51Å; Q257-V259 VanDerWaalsContact C-N 3.29Å; Q257-V259 HydrophobicContact CB-CG2 4.3Å; Q257-V259 HydrophobicContact CG-CG2 3.85Å; Q257-V259 PolarHBondContact O-N 3.47Å; V259-L261 PolarHBondContact O-N 3.07Å | ||
| 260 | L | 67.3 | Low | 67.3 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 93% | 0.927 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 96.9 | 173.4 | -73.1 | 161.7 | 0 | 0 | 0 | 110.2 | N262 | L260-N262 PolarHBondContact O-N 3.41Š| ||
| 261 | L | 66.7 | Low | 66.9 | Low | 131 Ų | 131 | 135.7 Ų | 135.7 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -79 | 105.5 | 171.6 | -84.2 | 147.3 | 0 | 0 | 0 | 109.6 | V259 I263 | V259-L261 PolarHBondContact O-N 3.07Å; L261-I263 PolarHBondContact O-N 2.8Å; L261-I263 VanDerWaalsContact O-N 3.13Å | ||
| 262 | N | 70.5 | Confident | 66.4 | Low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -77.3 | 94.3 | 172.9 | -173.6 | 24.3 | 0 | 0 | 0 | 109.7 | L260 | L260-N262 PolarHBondContact O-N 3.41Š| ||
| 263 | I | 69.4 | Low | 66 | Low | 139 Ų | 139 | 135.2 Ų | 135.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 118.6 | 177.4 | -50.7 | 172.2 | 0 | 0 | 0 | 108 | L261 A265 | L261-I263 PolarHBondContact O-N 2.8Å; L261-I263 VanDerWaalsContact O-N 3.13Å; I263-A265 PolarHBondContact O-N 3.15Å |
| 264 | P | 66 | Low | 65.4 | Low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.4 | 176.3 | 25.5 | -31.5 | 0 | 0 | 0 | 110.3 | Q266 | P264-Q266 PolarHBondContact O-N 2.78Š|
| 265 | A | 60.2 | Low | 64.7 | Low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 126.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I263 Q267 | I263-A265 PolarHBondContact O-N 3.15Å; A265-Q267 PolarHBondContact O-N 3.02Å |
| 266 | Q | 53.1 | Low | 64.2 | Low | 195 Ų | 195 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.7 | 173.4 | -78.2 | 178.9 | -35.5 | 0 | 0 | 109.4 | P264 | P264-Q266 PolarHBondContact O-N 2.78Š|
| 267 | Q | 46.7 | Very low | 63.5 | Low | 268 Ų | 268 | 148.7 Ų | 148.7 | 100% | 1.252 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 0 | 171 | -70.3 | -178 | -12.7 | 0 | 0 | 111.3 | A265 | A265-Q267 PolarHBondContact O-N 3.02Š|
Retrieved 267 of 267 residues in 132.4 ms
(Link to these results)