| 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 | 46.9 | Very low | 64 | Low | 185 Ų | 185 | 115.9 Ų | 115.9 | 91% | 0.911 | 60% | 0.6 | S | S | * | * | 0 | 144.8 | 0 | -103.7 | 147.8 | 160.9 | 0 | 0 | 108.1 | E190 | M1-E190 PolarHBondContact N-OE1 3.11Š| |||
| 2 | T | 52.3 | Low | 65.5 | Low | 116 Ų | 116 | 106.3 Ų | 106.3 | 71% | 0.712 | 55% | 0.55 | S | S | * | . | trans | -65.8 | 152.4 | -178.4 | 35.8 | 0 | 0 | 0 | 0 | 111.8 | E4 | T2-E4 VanDerWaalsContact C-N 3.3Å; T2-E4 PolarHBondContact O-N 2.89Å | ||
| 3 | C | 57.4 | Low | 66.9 | Low | 42 Ų | 42 | 101.3 Ų | 101.3 | 28% | 0.284 | 53% | 0.527 | S | S | . | . | trans | -57.9 | 89 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | N5 H6 C169 | C3-N5 PolarHBondContact O-N 3.32Å; C3-H6 HydrophobicContact CB-CB 4.5Å; C3-H6 WeakPolarHBondContact CB-O 3.44Å; C3-C169 VanDerWaalsContact CA-SG 3.58Å; C3-C169 HydrophobicContact CB-CB 3.77Å; C3-C169 WeakPolarHBondContact CB-SG 3.37Å; C3-C169 WeakPolarHBondContact SG-CB 3.46Å; C3-C169 CovalentContact SG-SG 2.03Å; C3-C169 PolarHBondContact SG-SG 3.13Å | ||
| 4 | E | 53.4 | Low | 67.9 | Low | 150 Ų | 150 | 94.1 Ų | 94.1 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -74.5 | -0.8 | -165.2 | -94 | -177.6 | 166.5 | 0 | 0 | 114.6 | T2 | T2-E4 VanDerWaalsContact C-N 3.3Å; T2-E4 PolarHBondContact O-N 2.89Å |
| 5 | N | 58.4 | Low | 68.6 | Low | 162 Ų | 162 | 92.5 Ų | 92.5 | 87% | 0.866 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -156.9 | 13.7 | 170.6 | -87.1 | -46 | 0 | 0 | 0 | 114.1 | C3 | C3-N5 PolarHBondContact O-N 3.32Š|
| 6 | H | 55.3 | Low | 69.1 | Low | 123 Ų | 123 | 87.2 Ų | 87.2 | 57% | 0.569 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -131.8 | 134.6 | -174.4 | -76.1 | 46.6 | 0 | 0 | 0 | 110.7 | C3 C169 | C3-H6 HydrophobicContact CB-CB 4.5Å; C3-H6 WeakPolarHBondContact CB-O 3.44Å; H6-C169 HydrophobicContact CB-CB 4.22Å; H6-C169 VanDerWaalsContact CB-O 3.29Å; H6-C169 WeakPolarHBondContact CB-O 3.36Å; H6-C169 PolarHBondContact CD2-O 3.32Å |
| 7 | T | 66.3 | Low | 69.2 | Low | 136 Ų | 136 | 84.9 Ų | 84.9 | 83% | 0.834 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 134.6 | 173 | 36.2 | 0 | 0 | 0 | 0 | 110.8 | I9 | T7-I9 PolarHBondContact O-N 3.25Š|
| 8 | R | 71.3 | Confident | 69.5 | Low | 148 Ų | 148 | 81.8 Ų | 81.8 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -57 | 133.5 | 174.8 | -169.7 | 177.4 | -175.8 | -179.7 | 2.9 | 110 | T10 M164 | R8-T10 PolarHBondContact O-N 2.97Å; R8-M164 PolarHBondContact NH2-O 3.46Å |
| 9 | I | 77.8 | Confident | 69.8 | Low | 16 Ų | 16 | 84.5 Ų | 84.5 | 8% | 0.082 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -63 | 126.8 | 179.3 | -61.1 | 178.2 | 0 | 0 | 0 | 110.1 | T7 E11 F12 F168 G170 N172 | T7-I9 PolarHBondContact O-N 3.25Å; I9-E11 WeakPolarHBondContact CG2-O 3.44Å; I9-F12 HydrophobicContact CD1-CE1 4.44Å; I9-F12 HydrophobicContact CG2-CD1 4.21Å; I9-F12 HydrophobicContact CG2-CE1 4.05Å; I9-F12 HydrophobicContact CG2-CZ 4.44Å; I9-F168 HydrophobicContact CB-CB 4.18Å; I9-F168 HydrophobicContact CD1-CB 3.94Å; I9-F168 HydrophobicContact CG1-CB 4.22Å; I9-F168 WeakPolarHBondContact CG1-O 3.49Å; I9-F168 PolarHBondContact N-O 3.17Å; I9-G170 WeakPolarHBondContact CD1-O 3.42Å; I9-N172 HydrophobicContact CD1-CB 4Å; I9-N172 HydrophobicContact CG1-CB 4.41Å; I9-N172 HydrophobicContact CG2-CB 3.75Å |
| 10 | T | 80.1 | Confident | 70.5 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 66% | 0.656 | 44% | 0.441 | S | S | * | . | trans | -103 | -21.4 | 176.4 | 52.5 | 0 | 0 | 0 | 0 | 113 | R8 F94 | R8-T10 PolarHBondContact O-N 2.97Å; T10-F94 WeakPolarHBondContact O-CB 3.42Å; T10-F94 PolarHBondContact O-N 3.07Å | ||
| 11 | E | 84.7 | Confident | 71 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 143.1 | -177.5 | -61.1 | -176.3 | 165.2 | 0 | 0 | 111.1 | I9 I92 N172 | I9-E11 WeakPolarHBondContact CG2-O 3.44Å; E11-I92 CarbonylContact C-O 3.17Å; E11-I92 WeakPolarHBondContact CA-O 3.49Å; E11-N172 VanDerWaalsContact O-CB 3.25Å; E11-N172 WeakPolarHBondContact O-CB 3.32Å; E11-N172 PolarHBondContact O-ND2 2.84Å |
| 12 | F | 82.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.2 | 172 | -63.3 | -74.3 | 0 | 0 | 0 | 111.2 | I9 V91 I92 F94 C97 F168 N172 V174 V184 L187 | I9-F12 HydrophobicContact CD1-CE1 4.44Å; I9-F12 HydrophobicContact CG2-CD1 4.21Å; I9-F12 HydrophobicContact CG2-CE1 4.05Å; I9-F12 HydrophobicContact CG2-CZ 4.44Å; F12-V91 CarbonylContact O-C 3.55Å; F12-V91 VanDerWaalsContact O-CA 3.25Å; F12-V91 WeakPolarHBondContact O-CA 3.42Å; F12-I92 HydrophobicContact CB-CG2 3.87Å; F12-I92 PolarHBondContact N-O 3.15Å; F12-I92 PolarHBondContact O-N 3.43Å; F12-F94 HydrophobicContact CE2-CB 4.5Å; F12-F94 AromaticContact CE2-CD2 3.52Å; F12-F94 HydrophobicContact CE2-CD2 3.52Å; F12-F94 HydrophobicContact CE2-CE2 4.18Å; F12-F94 HydrophobicContact CE2-CG 4.44Å; F12-F94 AromaticContact CZ-CD2 3.77Å; F12-F94 HydrophobicContact CZ-CD2 3.77Å; F12-F94 HydrophobicContact CZ-CE2 4.11Å; F12-C97 HydrophobicContact CD2-CB 3.76Å; F12-C97 HydrophobicContact CE2-CB 3.98Å; F12-F168 HydrophobicContact CE1-CD1 4.23Å; F12-F168 HydrophobicContact CZ-CD1 4.14Å; F12-F168 HydrophobicContact CZ-CE1 4.3Å; F12-F168 HydrophobicContact CZ-CG 4.37Å; F12-N172 CarbonylContact C-O 3.49Å; F12-N172 VanDerWaalsContact CA-O 3.26Å; F12-N172 WeakPolarHBondContact CA-O 3.45Å; F12-V174 HydrophobicContact CB-CG2 4.01Å; F12-V174 HydrophobicContact CD1-CG2 3.9Å; F12-V174 HydrophobicContact CG-CG2 4.14Å; F12-V184 HydrophobicContact CZ-CG1 4.38Å; F12-L187 HydrophobicContact CD1-CD1 3.88Å; F12-L187 HydrophobicContact CE1-CD1 3.89Å |
| 13 | V | 82.9 | Confident | 74.1 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 26% | 0.255 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | K90 V91 N172 S173 V174 | V13-K90 CarbonylContact C-O 3.49Å; V13-K90 WeakPolarHBondContact CA-O 3.39Å; V13-V91 HydrophobicContact CG2-CG1 4.16Å; V13-N172 PolarHBondContact N-O 3.1Å; V13-S173 CarbonylContact O-C 3.53Å; V13-S173 WeakPolarHBondContact O-CA 3.38Å; V13-V174 PolarHBondContact O-N 3.5Å |
| 14 | L | 81.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.4 | 177.2 | -66.7 | 168.7 | 0 | 0 | 0 | 109.9 | G16 K80 D84 K90 I92 V174 | L14-G16 VanDerWaalsContact C-N 3.3Å; L14-G16 PolarHBondContact O-N 3.03Å; L14-K80 HydrophobicContact CD1-CG 4.44Å; L14-D84 VanDerWaalsContact CD1-OD2 3.26Å; L14-D84 WeakPolarHBondContact CD1-OD2 3.33Å; L14-K90 PolarHBondContact N-O 3.49Å; L14-K90 WeakPolarHBondContact O-CB 3.46Å; L14-K90 WeakPolarHBondContact O-CD 3.37Å; L14-I92 HydrophobicContact CD1-CB 4.28Å; L14-I92 HydrophobicContact CD1-CG2 3.99Å; L14-I92 HydrophobicContact CG-CG2 4.14Å; L14-V174 HydrophobicContact CD2-CB 4.01Å; L14-V174 HydrophobicContact CD2-CG1 4.02Å |
| 15 | L | 78.4 | Confident | 77 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | trans | -72.8 | -22.6 | -177.6 | -64.6 | 178.4 | 0 | 0 | 0 | 113 | V174 D175 H176 | L15-V174 PolarHBondContact N-O 3.13Å; L15-D175 HydrophobicContact CD1-CB 3.94Å; L15-H176 PolarHBondContact N-O 3.45Å | ||
| 16 | G | 76.1 | Confident | 78.3 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 8% | 0.082 | 40% | 0.395 | C | S | . | . | trans | 67.9 | -151.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L14 H176 K272 | L14-G16 VanDerWaalsContact C-N 3.3Å; L14-G16 PolarHBondContact O-N 3.03Å; G16-H176 PolarHBondContact N-O 3.03Å; G16-K272 WeakPolarHBondContact O-CE 3.45Å; G16-K272 PolarHBondContact O-NZ 2.91Å | ||
| 17 | F | 70.8 | Confident | 79.8 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -93.8 | -37.5 | -172.6 | -67.7 | -79.1 | 0 | 0 | 0 | 115.1 | L27 F31 M81 L85 F177 K272 L276 | F17-L27 HydrophobicContact CB-CD1 3.72Å; F17-L27 HydrophobicContact CG-CD1 4.3Å; F17-F31 HydrophobicContact CD2-CE2 4.07Å; F17-F31 AromaticContact CE2-CE2 3.72Å; F17-F31 HydrophobicContact CE2-CE2 3.72Å; F17-F31 HydrophobicContact CE2-CZ 4.06Å; F17-F31 HydrophobicContact CZ-CE2 4.21Å; F17-F31 HydrophobicContact CZ-CZ 4.06Å; F17-M81 HydrophobicContact CE2-CG 4.05Å; F17-M81 HydrophobicContact CE2-SD 3.66Å; F17-M81 HydrophobicContact CZ-SD 4.08Å; F17-L85 HydrophobicContact CD2-CD2 4.43Å; F17-F177 HydrophobicContact CD2-CB 4.13Å; F17-F177 AromaticContact CE1-CD1 3.65Å; F17-F177 HydrophobicContact CE1-CD1 3.65Å; F17-F177 AromaticContact CE1-CE1 3.92Å; F17-F177 HydrophobicContact CE1-CE1 3.92Å; F17-F177 HydrophobicContact CE1-CG 4.13Å; F17-F177 HydrophobicContact CE2-CB 3.54Å; F17-F177 AromaticContact CE2-CD1 3.95Å; F17-F177 HydrophobicContact CE2-CD1 3.95Å; F17-F177 AromaticContact CE2-CD2 3.9Å; F17-F177 HydrophobicContact CE2-CD2 3.9Å; F17-F177 AromaticContact CE2-CG 3.53Å; F17-F177 HydrophobicContact CE2-CG 3.53Å; F17-F177 HydrophobicContact CZ-CB 3.81Å; F17-F177 AromaticContact CZ-CD1 3.26Å; F17-F177 HydrophobicContact CZ-CD1 3.26Å; F17-F177 AromaticContact CZ-CD2 3.68Å; F17-F177 HydrophobicContact CZ-CD2 3.68Å; F17-F177 AromaticContact CZ-CE1 3.62Å; F17-F177 HydrophobicContact CZ-CE1 3.62Å; F17-F177 AromaticContact CZ-CE2 3.98Å; F17-F177 HydrophobicContact CZ-CE2 3.98Å; F17-F177 AromaticContact CZ-CG 3.3Å; F17-F177 HydrophobicContact CZ-CG 3.3Å; F17-F177 AromaticContact CZ-CZ 3.97Å; F17-F177 HydrophobicContact CZ-CZ 3.97Å; F17-K272 HydrophobicContact CD1-CB 4.38Å; F17-K272 HydrophobicContact CE1-CB 4.07Å; F17-L276 HydrophobicContact CD1-CD1 4.41Å; F17-L276 HydrophobicContact CE1-CD1 3.45Å; F17-L276 VanDerWaalsContact CE1-CD1 3.45Å; F17-L276 HydrophobicContact CE1-CD2 4.25Å; F17-L276 HydrophobicContact CE1-CG 3.84Å; F17-L276 HydrophobicContact CZ-CD1 3.79Å; F17-L276 HydrophobicContact CZ-CD2 3.7Å; F17-L276 HydrophobicContact CZ-CG 3.79Å |
| 18 | T | 74.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | trans | -158.3 | 153.5 | -173.1 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | N20 M23 Q24 L27 | T18-N20 PolarHBondContact OG1-N 3.43Å; T18-M23 HydrophobicContact CG2-CB 3.77Å; T18-M23 HydrophobicContact CG2-CG 3.79Å; T18-M23 HydrophobicContact CG2-SD 3.78Å; T18-Q24 HydrophobicContact CG2-CG 3.83Å; T18-Q24 PolarHBondContact O-NE2 2.94Å; T18-L27 HydrophobicContact CG2-CD1 3.97Å | ||
| 19 | N | 76.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 62 Ų | 62 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -96.7 | -4.3 | 172.5 | -68.5 | -25.3 | 0 | 0 | 0 | 112.7 | P21 | N19-P21 WeakPolarHBondContact O-CD 3.48Š|
| 20 | N | 82.2 | Confident | 82.3 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | trans | -77.3 | 118.8 | 176.4 | -177.3 | -29.6 | 0 | 0 | 0 | 110.3 | T18 D22 M23 Q24 | T18-N20 PolarHBondContact OG1-N 3.43Å; N20-D22 PolarHBondContact O-N 3.33Å; N20-D22 PolarHBondContact OD1-N 3.46Å; N20-M23 HydrophobicContact CB-CB 4.03Å; N20-M23 PolarHBondContact O-N 2.93Å; N20-Q24 WeakPolarHBondContact O-CG 3.43Å; N20-Q24 PolarHBondContact O-N 3.43Å | ||
| 21 | P | 81.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | -178.3 | -24.4 | 34.7 | 0 | 0 | 0 | 114.3 | N19 M23 Q24 V25 | N19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-M23 VanDerWaalsContact C-N 3.29Å; P21-M23 PolarHBondContact O-N 3.48Å; P21-Q24 WeakPolarHBondContact O-CB 3.33Å; P21-Q24 PolarHBondContact O-N 2.88Å; P21-Q24 VanDerWaalsContact O-N 3.17Å; P21-V25 WeakPolarHBondContact O-CG2 3.34Å; P21-V25 PolarHBondContact O-N 3.23Å |
| 22 | D | 82.7 | Confident | 82.9 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 67% | 0.674 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.4 | -36.6 | -178.1 | -62.8 | -33.6 | 0 | 0 | 0 | 111.4 | N20 S26 | N20-D22 PolarHBondContact O-N 3.33Å; N20-D22 PolarHBondContact OD1-N 3.46Å; D22-S26 PolarHBondContact O-N 3.39Å; D22-S26 VanDerWaalsContact O-N 3.14Å; D22-S26 PolarHBondContact O-OG 2.97Å |
| 23 | M | 82.9 | Confident | 83.2 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 175.8 | -166 | -177.7 | 179.8 | 0 | 0 | 111.5 | T18 N20 P21 S26 L27 | T18-M23 HydrophobicContact CG2-CB 3.77Å; T18-M23 HydrophobicContact CG2-CG 3.79Å; T18-M23 HydrophobicContact CG2-SD 3.78Å; N20-M23 HydrophobicContact CB-CB 4.03Å; N20-M23 PolarHBondContact O-N 2.93Å; P21-M23 VanDerWaalsContact C-N 3.29Å; P21-M23 PolarHBondContact O-N 3.48Å; M23-S26 PolarHBondContact O-N 3.43Å; M23-L27 HydrophobicContact CG-CD1 4.32Å; M23-L27 WeakPolarHBondContact O-CB 3.31Å; M23-L27 VanDerWaalsContact O-CG 3.25Å; M23-L27 WeakPolarHBondContact O-CG 3.39Å; M23-L27 PolarHBondContact O-N 3.16Å |
| 24 | Q | 84.9 | Confident | 83.4 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174.2 | -75.8 | 174.5 | -5.9 | 0 | 0 | 112 | T18 N20 P21 L27 F28 L85 | T18-Q24 HydrophobicContact CG2-CG 3.83Å; T18-Q24 PolarHBondContact O-NE2 2.94Å; N20-Q24 WeakPolarHBondContact O-CG 3.43Å; N20-Q24 PolarHBondContact O-N 3.43Å; P21-Q24 WeakPolarHBondContact O-CB 3.33Å; P21-Q24 PolarHBondContact O-N 2.88Å; P21-Q24 VanDerWaalsContact O-N 3.17Å; Q24-L27 PolarHBondContact O-N 2.87Å; Q24-F28 WeakPolarHBondContact O-CB 3.22Å; Q24-F28 PolarHBondContact O-N 2.96Å; Q24-L85 WeakPolarHBondContact CB-O 3.24Å; Q24-L85 HydrophobicContact CG-CD2 4.45Å |
| 25 | V | 86 | Confident | 83.8 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | P21 L27 F28 V29 | P21-V25 WeakPolarHBondContact O-CG2 3.34Å; P21-V25 PolarHBondContact O-N 3.23Å; V25-L27 PolarHBondContact O-N 3.41Å; V25-F28 WeakPolarHBondContact O-CB 3.46Å; V25-F28 PolarHBondContact O-N 2.96Å; V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 2.94Å |
| 26 | S | 86.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | D22 M23 V29 L30 | D22-S26 PolarHBondContact O-N 3.39Å; D22-S26 VanDerWaalsContact O-N 3.14Å; D22-S26 PolarHBondContact O-OG 2.97Å; M23-S26 PolarHBondContact O-N 3.43Å; S26-V29 PolarHBondContact O-N 2.75Å; S26-L30 WeakPolarHBondContact O-CB 3.34Å; S26-L30 PolarHBondContact O-N 3Å |
| 27 | L | 86.1 | Confident | 85 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66 | -38 | 176 | -72.6 | 172.4 | 0 | 0 | 0 | 112.2 | F17 T18 M23 Q24 V25 L30 F31 L85 | F17-L27 HydrophobicContact CB-CD1 3.72Å; F17-L27 HydrophobicContact CG-CD1 4.3Å; T18-L27 HydrophobicContact CG2-CD1 3.97Å; M23-L27 HydrophobicContact CG-CD1 4.32Å; M23-L27 WeakPolarHBondContact O-CB 3.31Å; M23-L27 VanDerWaalsContact O-CG 3.25Å; M23-L27 WeakPolarHBondContact O-CG 3.39Å; M23-L27 PolarHBondContact O-N 3.16Å; Q24-L27 PolarHBondContact O-N 2.87Å; V25-L27 PolarHBondContact O-N 3.41Å; L27-L30 PolarHBondContact O-N 2.84Å; L27-F31 HydrophobicContact CB-CD2 4.25Å; L27-F31 HydrophobicContact CB-CE2 4.11Å; L27-F31 HydrophobicContact CD2-CE2 4.03Å; L27-F31 HydrophobicContact CD2-CZ 4.37Å; L27-F31 WeakPolarHBondContact O-CB 3.47Å; L27-F31 WeakPolarHBondContact O-CD2 3.31Å; L27-F31 WeakPolarHBondContact O-CG 3.2Å; L27-F31 PolarHBondContact O-N 3.06Å; L27-L85 HydrophobicContact CB-CD1 4.28Å; L27-L85 HydrophobicContact CB-CD2 3.99Å; L27-L85 HydrophobicContact CD1-CD2 4.36Å |
| 28 | F | 88.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 175.8 | 175.5 | -95.3 | 0 | 0 | 0 | 111 | Q24 V25 L30 F31 L32 L82 L85 V86 | Q24-F28 WeakPolarHBondContact O-CB 3.22Å; Q24-F28 PolarHBondContact O-N 2.96Å; V25-F28 WeakPolarHBondContact O-CB 3.46Å; V25-F28 PolarHBondContact O-N 2.96Å; F28-L30 VanDerWaalsContact C-N 3.33Å; F28-L30 PolarHBondContact O-N 3.21Å; F28-F31 PolarHBondContact O-N 3.36Å; F28-L32 HydrophobicContact CE1-CD2 3.9Å; F28-L32 HydrophobicContact CZ-CD2 4.17Å; F28-L32 WeakPolarHBondContact O-CB 3.33Å; F28-L32 PolarHBondContact O-N 3.18Å; F28-L82 HydrophobicContact CD2-CB 4.35Å; F28-L82 HydrophobicContact CD2-CD2 4.1Å; F28-L82 WeakPolarHBondContact CD2-O 3.41Å; F28-L82 HydrophobicContact CE2-CB 4.1Å; F28-L82 HydrophobicContact CE2-CD2 4.32Å; F28-L85 HydrophobicContact CB-CB 4.08Å; F28-L85 HydrophobicContact CB-CD1 4.41Å; F28-L85 HydrophobicContact CD2-CB 4.31Å; F28-V86 HydrophobicContact CB-CG1 4.25Å; F28-V86 HydrophobicContact CD1-CG1 4.25Å; F28-V86 HydrophobicContact CD2-CG1 3.47Å; F28-V86 VanDerWaalsContact CD2-CG1 3.47Å; F28-V86 HydrophobicContact CE2-CG1 3.77Å; F28-V86 HydrophobicContact CE2-CG2 4.34Å; F28-V86 HydrophobicContact CG-CG1 3.72Å; F28-V86 HydrophobicContact CZ-CG1 4.29Å |
| 29 | V | 90.6 | Very high | 86.7 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | V25 S26 L32 A33 | V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 2.94Å; S26-V29 PolarHBondContact O-N 2.75Å; V29-L32 PolarHBondContact O-N 2.86Å; V29-A33 WeakPolarHBondContact O-CB 3.35Å; V29-A33 PolarHBondContact O-N 3.36Å |
| 30 | L | 88.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 64 Ų | 64 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -52.3 | 178.5 | 177.8 | 63.4 | 0 | 0 | 0 | 112.1 | S26 L27 F28 L32 A33 I34 | S26-L30 WeakPolarHBondContact O-CB 3.34Å; S26-L30 PolarHBondContact O-N 3Å; L27-L30 PolarHBondContact O-N 2.84Å; F28-L30 VanDerWaalsContact C-N 3.33Å; F28-L30 PolarHBondContact O-N 3.21Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.99Å; L30-A33 PolarHBondContact O-N 3.46Å; L30-I34 HydrophobicContact CD1-CD1 4.1Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.27Å; L30-I34 PolarHBondContact O-N 3.06Å |
| 31 | F | 87.3 | Confident | 87.7 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.5 | -32.2 | -178.5 | -69.4 | -49.4 | 0 | 0 | 0 | 112.6 | F17 L27 F28 A33 I34 Y35 M81 L82 L85 L276 V280 | F17-F31 HydrophobicContact CD2-CE2 4.07Å; F17-F31 AromaticContact CE2-CE2 3.72Å; F17-F31 HydrophobicContact CE2-CE2 3.72Å; F17-F31 HydrophobicContact CE2-CZ 4.06Å; F17-F31 HydrophobicContact CZ-CE2 4.21Å; F17-F31 HydrophobicContact CZ-CZ 4.06Å; L27-F31 HydrophobicContact CB-CD2 4.25Å; L27-F31 HydrophobicContact CB-CE2 4.11Å; L27-F31 HydrophobicContact CD2-CE2 4.03Å; L27-F31 HydrophobicContact CD2-CZ 4.37Å; L27-F31 WeakPolarHBondContact O-CB 3.47Å; L27-F31 WeakPolarHBondContact O-CD2 3.31Å; L27-F31 WeakPolarHBondContact O-CG 3.2Å; L27-F31 PolarHBondContact O-N 3.06Å; F28-F31 PolarHBondContact O-N 3.36Å; F31-A33 VanDerWaalsContact C-N 3.35Å; F31-I34 HydrophobicContact CD1-CD1 4.23Å; F31-I34 PolarHBondContact O-N 3.34Å; F31-Y35 WeakPolarHBondContact O-CB 3.4Å; F31-Y35 PolarHBondContact O-N 3.25Å; F31-M81 HydrophobicContact CB-CE 3.8Å; F31-M81 HydrophobicContact CD1-CE 3.86Å; F31-M81 HydrophobicContact CD2-CE 3.84Å; F31-M81 HydrophobicContact CD2-SD 4.2Å; F31-M81 HydrophobicContact CE1-CE 4.41Å; F31-M81 HydrophobicContact CE2-CE 4.36Å; F31-M81 HydrophobicContact CE2-SD 4.2Å; F31-M81 HydrophobicContact CG-CE 3.56Å; F31-M81 HydrophobicContact CG-SD 4.44Å; F31-M81 HydrophobicContact CZ-SD 4.48Å; F31-L82 HydrophobicContact CB-CD2 3.65Å; F31-L85 HydrophobicContact CD2-CD1 3.64Å; F31-L85 HydrophobicContact CE2-CD1 4.26Å; F31-L276 HydrophobicContact CD1-CD2 4.49Å; F31-L276 HydrophobicContact CE1-CD1 4.38Å; F31-L276 HydrophobicContact CE1-CD2 3.47Å; F31-L276 VanDerWaalsContact CE1-CD2 3.47Å; F31-L276 HydrophobicContact CZ-CD1 3.99Å; F31-L276 HydrophobicContact CZ-CD2 3.56Å; F31-L276 HydrophobicContact CZ-CG 4.43Å; F31-V280 HydrophobicContact CD1-CG1 4.28Å |
| 32 | L | 90.7 | Very high | 88.2 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.7 | -178.5 | 65.3 | 0 | 0 | 0 | 111.2 | F28 V29 L30 Y35 S36 L82 | F28-L32 HydrophobicContact CE1-CD2 3.9Å; F28-L32 HydrophobicContact CZ-CD2 4.17Å; F28-L32 WeakPolarHBondContact O-CB 3.33Å; F28-L32 PolarHBondContact O-N 3.18Å; V29-L32 PolarHBondContact O-N 2.86Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.99Å; L32-Y35 HydrophobicContact CD1-CD1 4.41Å; L32-S36 WeakPolarHBondContact O-CB 3.31Å; L32-S36 PolarHBondContact O-N 3.01Å; L32-S36 PolarHBondContact O-OG 2.87Å; L32-L82 HydrophobicContact CB-CD2 4.21Å; L32-L82 HydrophobicContact CD1-CD1 4.09Å |
| 33 | A | 89.3 | Confident | 88.6 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V29 L30 F31 Y35 S36 V37 | V29-A33 WeakPolarHBondContact O-CB 3.35Å; V29-A33 PolarHBondContact O-N 3.36Å; L30-A33 PolarHBondContact O-N 3.46Å; F31-A33 VanDerWaalsContact C-N 3.35Å; A33-Y35 PolarHBondContact O-N 3.3Å; A33-S36 PolarHBondContact O-N 3.37Å; A33-V37 WeakPolarHBondContact O-CG2 3.25Å; A33-V37 PolarHBondContact O-N 2.74Å |
| 34 | I | 87.3 | Confident | 89 | Confident | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 177.1 | -66.3 | 165.6 | 0 | 0 | 0 | 110.6 | L30 F31 S36 V37 T38 V280 M284 | L30-I34 HydrophobicContact CD1-CD1 4.1Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.27Å; L30-I34 PolarHBondContact O-N 3.06Å; F31-I34 HydrophobicContact CD1-CD1 4.23Å; F31-I34 PolarHBondContact O-N 3.34Å; I34-S36 VanDerWaalsContact C-N 3.31Å; I34-S36 PolarHBondContact O-N 3.02Å; I34-V37 PolarHBondContact O-N 3.48Å; I34-T38 WeakPolarHBondContact O-CB 3.32Å; I34-T38 PolarHBondContact O-N 3.18Å; I34-T38 PolarHBondContact O-OG1 3.36Å; I34-V280 HydrophobicContact CB-CG1 4.37Å; I34-V280 HydrophobicContact CD1-CG1 4.28Å; I34-V280 HydrophobicContact CG2-CG1 3.52Å; I34-M284 HydrophobicContact CB-SD 4.42Å; I34-M284 HydrophobicContact CG1-SD 4.11Å; I34-M284 HydrophobicContact CG2-CB 4.13Å; I34-M284 HydrophobicContact CG2-CG 4.06Å; I34-M284 HydrophobicContact CG2-SD 3.77Å |
| 35 | Y | 89.4 | Confident | 89.2 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 176.7 | 173.9 | -107.3 | 0 | 0 | 0 | 112.2 | F31 L32 A33 T38 L39 T74 L75 V78 P79 L82 | F31-Y35 WeakPolarHBondContact O-CB 3.4Å; F31-Y35 PolarHBondContact O-N 3.25Å; L32-Y35 HydrophobicContact CD1-CD1 4.41Å; A33-Y35 PolarHBondContact O-N 3.3Å; Y35-T38 PolarHBondContact O-N 2.99Å; Y35-L39 HydrophobicContact CD1-CD1 4.24Å; Y35-L39 HydrophobicContact CD2-CD1 4.28Å; Y35-L39 HydrophobicContact CD2-CG 4.45Å; Y35-L39 HydrophobicContact CE1-CD1 3.63Å; Y35-L39 HydrophobicContact CE2-CD1 3.68Å; Y35-L39 HydrophobicContact CE2-CG 4.17Å; Y35-L39 WeakPolarHBondContact O-CG 3.34Å; Y35-L39 PolarHBondContact O-N 2.92Å; Y35-L39 WeakPolarHBondContact OH-CD1 3.48Å; Y35-T74 HydrophobicContact CD2-CG2 3.49Å; Y35-T74 VanDerWaalsContact CD2-CG2 3.49Å; Y35-T74 HydrophobicContact CE2-CG2 3.76Å; Y35-L75 HydrophobicContact CE2-CD2 4.5Å; Y35-L75 VanDerWaalsContact OH-CD2 3.24Å; Y35-L75 WeakPolarHBondContact OH-CD2 3.33Å; Y35-V78 HydrophobicContact CD2-CB 3.72Å; Y35-V78 HydrophobicContact CD2-CG1 3.54Å; Y35-V78 HydrophobicContact CD2-CG2 4.37Å; Y35-V78 HydrophobicContact CE2-CB 4.2Å; Y35-V78 HydrophobicContact CE2-CG1 4.35Å; Y35-V78 HydrophobicContact CG-CG1 3.96Å; Y35-P79 HydrophobicContact CE2-CG 4.27Å; Y35-L82 HydrophobicContact CD1-CD1 4.32Å; Y35-L82 HydrophobicContact CG-CD1 4.3Å |
| 36 | S | 90.9 | Very high | 89.5 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | L32 A33 I34 L40 | L32-S36 WeakPolarHBondContact O-CB 3.31Å; L32-S36 PolarHBondContact O-N 3.01Å; L32-S36 PolarHBondContact O-OG 2.87Å; A33-S36 PolarHBondContact O-N 3.37Å; I34-S36 VanDerWaalsContact C-N 3.31Å; I34-S36 PolarHBondContact O-N 3.02Å; S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 PolarHBondContact O-N 3.39Å |
| 37 | V | 88.8 | Confident | 89.7 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 177.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | A33 I34 L40 G41 | A33-V37 WeakPolarHBondContact O-CG2 3.25Å; A33-V37 PolarHBondContact O-N 2.74Å; I34-V37 PolarHBondContact O-N 3.48Å; V37-L40 PolarHBondContact O-N 3.23Å; V37-G41 PolarHBondContact O-N 2.92Å |
| 38 | T | 88.1 | Confident | 89.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | I34 Y35 N42 T74 P283 M284 | I34-T38 WeakPolarHBondContact O-CB 3.32Å; I34-T38 PolarHBondContact O-N 3.18Å; I34-T38 PolarHBondContact O-OG1 3.36Å; Y35-T38 PolarHBondContact O-N 2.99Å; T38-N42 WeakPolarHBondContact O-CB 3.12Å; T38-N42 PolarHBondContact O-N 2.78Å; T38-N42 PolarHBondContact O-ND2 3.39Å; T38-T74 HydrophobicContact CG2-CG2 4.3Å; T38-P283 HydrophobicContact CG2-CB 4Å; T38-M284 VanDerWaalsContact OG1-CA 3.3Å; T38-M284 WeakPolarHBondContact OG1-CA 3.29Å; T38-M284 VanDerWaalsContact OG1-CB 3.31Å; T38-M284 WeakPolarHBondContact OG1-CB 3.3Å |
| 39 | L | 91.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -51 | 177.3 | -73.2 | -174.7 | 0 | 0 | 0 | 111.3 | Y35 G41 N42 F43 V71 T74 L75 | Y35-L39 HydrophobicContact CD1-CD1 4.24Å; Y35-L39 HydrophobicContact CD2-CD1 4.28Å; Y35-L39 HydrophobicContact CD2-CG 4.45Å; Y35-L39 HydrophobicContact CE1-CD1 3.63Å; Y35-L39 HydrophobicContact CE2-CD1 3.68Å; Y35-L39 HydrophobicContact CE2-CG 4.17Å; Y35-L39 WeakPolarHBondContact O-CG 3.34Å; Y35-L39 PolarHBondContact O-N 2.92Å; Y35-L39 WeakPolarHBondContact OH-CD1 3.48Å; L39-G41 VanDerWaalsContact C-N 3.31Å; L39-G41 PolarHBondContact O-N 3.42Å; L39-N42 PolarHBondContact O-N 3.36Å; L39-F43 HydrophobicContact CB-CD2 4.22Å; L39-F43 HydrophobicContact CB-CE2 4.21Å; L39-F43 HydrophobicContact CD2-CE2 4.33Å; L39-F43 WeakPolarHBondContact O-CB 3.09Å; L39-F43 WeakPolarHBondContact O-CD2 3.01Å; L39-F43 PolarHBondContact O-N 3.48Å; L39-V71 HydrophobicContact CD2-CB 4.33Å; L39-V71 HydrophobicContact CD2-CG1 4.02Å; L39-V71 HydrophobicContact CD2-CG2 4.2Å; L39-T74 HydrophobicContact CD2-CG2 4.15Å; L39-T74 HydrophobicContact CG-CG2 4.37Å; L39-L75 HydrophobicContact CD1-CD2 4.25Å; L39-L75 HydrophobicContact CD2-CD2 4.47Å; L39-L75 HydrophobicContact CD2-CG 4.3Å |
| 40 | L | 90.7 | Very high | 89.6 | Confident | 126 Ų | 126 | 42.9 Ų | 42.9 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.4 | -44.4 | -179.4 | -178.8 | 62.7 | 0 | 0 | 0 | 111.6 | S36 V37 L44 | S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 PolarHBondContact O-N 3.39Å; V37-L40 PolarHBondContact O-N 3.23Å; L40-L44 VanDerWaalsContact O-CB 3.27Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.03Å |
| 41 | G | 89.1 | Confident | 89.5 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V37 L39 L44 I45 | V37-G41 PolarHBondContact O-N 2.92Å; L39-G41 VanDerWaalsContact C-N 3.31Å; L39-G41 PolarHBondContact O-N 3.42Å; G41-L44 WeakPolarHBondContact O-CB 3.4Å; G41-L44 PolarHBondContact O-N 3.43Å; G41-I45 WeakPolarHBondContact O-CG1 3.36Å; G41-I45 PolarHBondContact O-N 3.03Å |
| 42 | N | 92 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 178.9 | -78.8 | -65.4 | 0 | 0 | 0 | 112.4 | T38 L39 L44 I45 V46 S67 V71 P287 | T38-N42 WeakPolarHBondContact O-CB 3.12Å; T38-N42 PolarHBondContact O-N 2.78Å; T38-N42 PolarHBondContact O-ND2 3.39Å; L39-N42 PolarHBondContact O-N 3.36Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 2.98Å; N42-I45 PolarHBondContact O-N 3.35Å; N42-V46 WeakPolarHBondContact O-CG2 3.38Å; N42-V46 PolarHBondContact O-N 3.15Å; N42-S67 WeakPolarHBondContact OD1-CA 3.47Å; N42-S67 VanDerWaalsContact OD1-CB 3.32Å; N42-S67 WeakPolarHBondContact OD1-CB 3.07Å; N42-S67 PolarHBondContact OD1-OG 3.07Å; N42-V71 HydrophobicContact CB-CG2 3.56Å; N42-P287 HydrophobicContact CB-CG 4.42Å; N42-P287 VanDerWaalsContact ND2-CG 3.27Å; N42-P287 WeakPolarHBondContact ND2-CG 3.35Å |
| 43 | F | 91.9 | Very high | 89 | Confident | 100 Ų | 100 | 43 Ų | 43 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 173.4 | -80.3 | -58.2 | 0 | 0 | 0 | 112.3 | L39 V46 T47 V71 | L39-F43 HydrophobicContact CB-CD2 4.22Å; L39-F43 HydrophobicContact CB-CE2 4.21Å; L39-F43 HydrophobicContact CD2-CE2 4.33Å; L39-F43 WeakPolarHBondContact O-CB 3.09Å; L39-F43 WeakPolarHBondContact O-CD2 3.01Å; L39-F43 PolarHBondContact O-N 3.48Å; F43-V46 PolarHBondContact O-N 2.85Å; F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 PolarHBondContact O-N 3.37Å; F43-T47 PolarHBondContact O-OG1 3.2Å; F43-V71 HydrophobicContact CE1-CG1 4.1Å; F43-V71 HydrophobicContact CE1-CG2 4.43Å; F43-V71 HydrophobicContact CE2-CG1 4.13Å; F43-V71 HydrophobicContact CE2-CG2 4.37Å; F43-V71 HydrophobicContact CZ-CG1 3.62Å; F43-V71 HydrophobicContact CZ-CG2 4.33Å |
| 44 | L | 90.4 | Very high | 88.7 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.8 | 180 | 64.3 | 0 | 0 | 0 | 110.9 | L40 G41 N42 T47 V48 V301 F305 | L40-L44 VanDerWaalsContact O-CB 3.27Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.03Å; G41-L44 WeakPolarHBondContact O-CB 3.4Å; G41-L44 PolarHBondContact O-N 3.43Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 2.98Å; L44-T47 PolarHBondContact O-N 2.67Å; L44-V48 HydrophobicContact CD1-CG2 3.79Å; L44-V48 HydrophobicContact CG-CG2 4.23Å; L44-V48 VanDerWaalsContact O-CB 3.32Å; L44-V48 WeakPolarHBondContact O-CB 3.32Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.4Å; L44-V48 PolarHBondContact O-N 3.09Å; L44-V301 HydrophobicContact CD2-CG2 4.28Å; L44-V301 HydrophobicContact CG-CG2 4.5Å; L44-F305 HydrophobicContact CD1-CE2 4.45Å |
| 45 | I | 90.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 176.6 | -71.1 | 173.6 | 0 | 0 | 0 | 110.9 | G41 N42 T47 V48 T49 L63 S67 P287 | G41-I45 WeakPolarHBondContact O-CG1 3.36Å; G41-I45 PolarHBondContact O-N 3.03Å; N42-I45 PolarHBondContact O-N 3.35Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 2.92Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-T49 HydrophobicContact CG2-CG2 4.15Å; I45-T49 WeakPolarHBondContact O-CB 3.31Å; I45-T49 VanDerWaalsContact O-CG2 3.3Å; I45-T49 WeakPolarHBondContact O-CG2 3.46Å; I45-T49 PolarHBondContact O-N 2.98Å; I45-T49 PolarHBondContact O-OG1 3.23Å; I45-L63 HydrophobicContact CG2-CD2 3.96Å; I45-L63 HydrophobicContact CG2-CG 3.85Å; I45-S67 WeakPolarHBondContact CG2-OG 3.46Å; I45-P287 HydrophobicContact CD1-CB 3.84Å; I45-P287 HydrophobicContact CD1-CG 4.43Å |
| 46 | V | 92.1 | Very high | 88.3 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -44.9 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | N42 F43 T49 S50 R64 L68 | N42-V46 WeakPolarHBondContact O-CG2 3.38Å; N42-V46 PolarHBondContact O-N 3.15Å; F43-V46 PolarHBondContact O-N 2.85Å; V46-T49 PolarHBondContact O-OG1 3.25Å; V46-S50 VanDerWaalsContact O-CB 3.22Å; V46-S50 WeakPolarHBondContact O-CB 3.31Å; V46-S50 PolarHBondContact O-N 2.68Å; V46-S50 VanDerWaalsContact O-N 3.15Å; V46-S50 PolarHBondContact O-OG 3.26Å; V46-R64 HydrophobicContact CB-CG 4.43Å; V46-R64 HydrophobicContact CG1-CG 4.17Å; V46-R64 HydrophobicContact CG2-CG 4.23Å; V46-L68 HydrophobicContact CG1-CD2 4.07Å; V46-L68 HydrophobicContact CG1-CG 4.43Å; V46-L68 HydrophobicContact CG2-CD2 3.89Å; V46-L68 HydrophobicContact CG2-CG 3.83Å |
| 47 | T | 89.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -55.3 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | F43 L44 I45 T49 S50 V51 | F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 PolarHBondContact O-N 3.37Å; F43-T47 PolarHBondContact O-OG1 3.2Å; L44-T47 PolarHBondContact O-N 2.67Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 2.92Å; T47-T49 PolarHBondContact O-N 2.99Å; T47-S50 PolarHBondContact O-N 2.55Å; T47-V51 HydrophobicContact CG2-CG1 4.44Å; T47-V51 WeakPolarHBondContact O-CG1 3.13Å; T47-V51 WeakPolarHBondContact O-CG2 3.36Å; T47-V51 PolarHBondContact O-N 2.96Å |
| 48 | V | 87.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | -173.3 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L44 I45 S50 V51 D52 L55 A300 V301 | L44-V48 HydrophobicContact CD1-CG2 3.79Å; L44-V48 HydrophobicContact CG-CG2 4.23Å; L44-V48 VanDerWaalsContact O-CB 3.32Å; L44-V48 WeakPolarHBondContact O-CB 3.32Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.4Å; L44-V48 PolarHBondContact O-N 3.09Å; I45-V48 PolarHBondContact O-N 3.26Å; V48-S50 PolarHBondContact O-N 2.64Å; V48-V51 PolarHBondContact O-N 3.33Å; V48-D52 WeakPolarHBondContact O-CB 3.29Å; V48-D52 PolarHBondContact O-N 3.33Å; V48-L55 HydrophobicContact CG1-CD1 3.53Å; V48-A300 HydrophobicContact CG1-CB 3.41Å; V48-A300 VanDerWaalsContact CG1-CB 3.41Å; V48-V301 HydrophobicContact CG1-CG2 4.43Å; V48-V301 HydrophobicContact CG2-CG2 3.98Å |
| 49 | T | 88.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -19 | 175.5 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | I45 V46 T47 L55 Q56 Y60 | I45-T49 HydrophobicContact CG2-CG2 4.15Å; I45-T49 WeakPolarHBondContact O-CB 3.31Å; I45-T49 VanDerWaalsContact O-CG2 3.3Å; I45-T49 WeakPolarHBondContact O-CG2 3.46Å; I45-T49 PolarHBondContact O-N 2.98Å; I45-T49 PolarHBondContact O-OG1 3.23Å; V46-T49 PolarHBondContact O-OG1 3.25Å; T47-T49 PolarHBondContact O-N 2.99Å; T49-L55 HydrophobicContact CG2-CD1 4.35Å; T49-Q56 PolarHBondContact O-NE2 3.5Å; T49-Y60 HydrophobicContact CG2-CD1 4.03Å; T49-Y60 HydrophobicContact CG2-CG 4.37Å |
| 50 | S | 87.9 | Confident | 88.7 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -90.6 | -28.8 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | V46 T47 V48 Q56 R64 | V46-S50 VanDerWaalsContact O-CB 3.22Å; V46-S50 WeakPolarHBondContact O-CB 3.31Å; V46-S50 PolarHBondContact O-N 2.68Å; V46-S50 VanDerWaalsContact O-N 3.15Å; V46-S50 PolarHBondContact O-OG 3.26Å; T47-S50 PolarHBondContact O-N 2.55Å; V48-S50 PolarHBondContact O-N 2.64Å; S50-Q56 PolarHBondContact O-NE2 2.85Å; S50-R64 WeakPolarHBondContact OG-CD 3.43Å; S50-R64 PolarHBondContact OG-NH1 3.43Å |
| 51 | V | 86.3 | Confident | 88.8 | Confident | 77 Ų | 77 | 37.7 Ų | 37.7 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -101.9 | -26.7 | -174.1 | -56.9 | 0 | 0 | 0 | 0 | 114.4 | T47 V48 P53 T304 | T47-V51 HydrophobicContact CG2-CG1 4.44Å; T47-V51 WeakPolarHBondContact O-CG1 3.13Å; T47-V51 WeakPolarHBondContact O-CG2 3.36Å; T47-V51 PolarHBondContact O-N 2.96Å; V48-V51 PolarHBondContact O-N 3.33Å; V51-P53 WeakPolarHBondContact O-CD 3.4Å; V51-T304 HydrophobicContact CG2-CG2 3.99Å |
| 52 | D | 83.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | trans | -87.4 | 116.8 | -179.6 | -164.6 | -39.8 | 0 | 0 | 0 | 110.1 | V48 A54 L55 A300 R303 | V48-D52 WeakPolarHBondContact O-CB 3.29Å; V48-D52 PolarHBondContact O-N 3.33Å; D52-A54 PolarHBondContact O-N 2.94Å; D52-A54 VanDerWaalsContact OD1-CB 3.22Å; D52-A54 WeakPolarHBondContact OD1-CB 3.27Å; D52-A54 PolarHBondContact OD1-N 2.89Å; D52-L55 HydrophobicContact CB-CB 4.46Å; D52-L55 HydrophobicContact CB-CD1 4.22Å; D52-L55 HydrophobicContact CB-CG 4.18Å; D52-L55 PolarHBondContact O-N 3.44Å; D52-A300 HydrophobicContact CB-CB 4.05Å; D52-A300 VanDerWaalsContact OD2-CA 3.31Å; D52-A300 WeakPolarHBondContact OD2-CA 3.08Å; D52-A300 WeakPolarHBondContact OD2-CB 3.27Å; D52-R303 IonicContact OD1-NH2 2.72Å; D52-R303 IonicContact OD2-CZ 3.7Å; D52-R303 VanDerWaalsContact OD2-CZ 3.28Å; D52-R303 IonicContact OD2-NE 2.94Å; D52-R303 PolarHBondContact OD2-NE 2.8Å; D52-R303 IonicContact OD2-NH2 2.59Å; D52-R303 PolarHBondContact OD2-NH2 3.32Å | ||
| 53 | P | 83.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 37 Ų | 37 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -59.4 | -30.1 | 177.5 | -24.3 | 35.7 | 0 | 0 | 0 | 113.5 | V51 L55 Q56 | V51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-L55 PolarHBondContact O-N 3.18Å; P53-Q56 PolarHBondContact O-N 3.39Å |
| 54 | A | 82.2 | Confident | 89.2 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -67.8 | -16.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D52 | D52-A54 PolarHBondContact O-N 2.94Å; D52-A54 VanDerWaalsContact OD1-CB 3.22Å; D52-A54 WeakPolarHBondContact OD1-CB 3.27Å; D52-A54 PolarHBondContact OD1-N 2.89Å |
| 55 | L | 83.1 | Confident | 89.5 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -104.1 | 13.1 | 177.7 | -58.2 | -177.8 | 0 | 0 | 0 | 112.8 | V48 T49 D52 P53 T57 Y60 E296 A300 | V48-L55 HydrophobicContact CG1-CD1 3.53Å; T49-L55 HydrophobicContact CG2-CD1 4.35Å; D52-L55 HydrophobicContact CB-CB 4.46Å; D52-L55 HydrophobicContact CB-CD1 4.22Å; D52-L55 HydrophobicContact CB-CG 4.18Å; D52-L55 PolarHBondContact O-N 3.44Å; P53-L55 PolarHBondContact O-N 3.18Å; L55-T57 PolarHBondContact O-N 3.04Å; L55-Y60 HydrophobicContact CB-CD2 3.88Å; L55-Y60 HydrophobicContact CB-CE2 4.39Å; L55-Y60 HydrophobicContact CB-CG 4.07Å; L55-Y60 HydrophobicContact CD2-CD1 4.35Å; L55-Y60 HydrophobicContact CD2-CD2 3.75Å; L55-Y60 HydrophobicContact CD2-CE1 4Å; L55-Y60 HydrophobicContact CD2-CE2 3.36Å; L55-Y60 HydrophobicContact CD2-CG 4.27Å; L55-Y60 HydrophobicContact CG-CD2 4.4Å; L55-Y60 HydrophobicContact CG-CE2 4.45Å; L55-Y60 WeakPolarHBondContact O-CB 3.5Å; L55-Y60 WeakPolarHBondContact O-CD2 3.07Å; L55-E296 HydrophobicContact CD2-CB 4.06Å; L55-A300 HydrophobicContact CD1-CB 3.39Å; L55-A300 HydrophobicContact CG-CB 4.02Å |
| 56 | Q | 86.4 | Confident | 89.7 | Confident | 109 Ų | 109 | 33 Ų | 33 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | trans | -82.1 | 44.5 | 176.8 | -62 | -60.6 | -40.3 | 0 | 0 | 112.5 | T49 S50 P53 | T49-Q56 PolarHBondContact O-NE2 3.5Å; S50-Q56 PolarHBondContact O-NE2 2.85Å; P53-Q56 PolarHBondContact O-N 3.39Å | ||
| 57 | T | 90 | Very high | 89.7 | Confident | 53 Ų | 53 | 32 Ų | 32 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -99.6 | 156.7 | 176.3 | 72.6 | 0 | 0 | 0 | 0 | 111 | L55 M59 Y60 F61 | L55-T57 PolarHBondContact O-N 3.04Å; T57-M59 VanDerWaalsContact C-N 3.28Å; T57-M59 PolarHBondContact O-N 3.28Å; T57-Y60 HydrophobicContact CG2-CD2 4.4Å; T57-Y60 PolarHBondContact O-N 2.92Å; T57-Y60 VanDerWaalsContact O-N 3.09Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.35Å; T57-F61 PolarHBondContact O-N 3.16Å |
| 58 | P | 92.9 | Very high | 90 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51 | -42.5 | 175.8 | -31.2 | 36.9 | 0 | 0 | 0 | 114.3 | Y60 F61 F62 D121 Y132 M136 | P58-Y60 PolarHBondContact O-N 2.97Å; P58-F61 WeakPolarHBondContact O-CB 3.34Å; P58-F61 PolarHBondContact O-N 3.03Å; P58-F62 WeakPolarHBondContact O-CD2 3.42Å; P58-F62 PolarHBondContact O-N 3.32Å; P58-D121 WeakPolarHBondContact CB-OD1 3.4Å; P58-Y132 WeakPolarHBondContact CD-OH 3.21Å; P58-Y132 HydrophobicContact CG-CE1 4.47Å; P58-Y132 WeakPolarHBondContact CG-OH 3.34Å; P58-M136 HydrophobicContact CB-CB 4.26Å; P58-M136 HydrophobicContact CB-CE 4.02Å; P58-M136 HydrophobicContact CG-CB 3.92Å |
| 59 | M | 92.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.3 | -48.7 | 175.3 | -179 | 69.2 | -179.4 | 0 | 0 | 112.6 | T57 F61 F62 L63 M118 D121 R122 H244 Y290 | T57-M59 VanDerWaalsContact C-N 3.28Å; T57-M59 PolarHBondContact O-N 3.28Å; M59-F61 VanDerWaalsContact C-N 3.32Å; M59-F62 PolarHBondContact O-N 2.81Å; M59-L63 PolarHBondContact O-N 2.91Å; M59-M118 HydrophobicContact CE-CE 3.35Å; M59-M118 HydrophobicContact SD-CB 4.32Å; M59-M118 HydrophobicContact SD-CE 4.04Å; M59-M118 HydrophobicContact SD-CG 4.46Å; M59-D121 WeakPolarHBondContact CB-OD2 3.46Å; M59-R122 HydrophobicContact SD-CG 4.43Å; M59-R122 PolarHBondContact SD-NE 3.39Å; M59-R122 VanDerWaalsContact SD-NE 3.42Å; M59-H244 HydrophobicContact CE-CB 4.36Å; M59-Y290 HydrophobicContact CE-CE1 4.21Å |
| 60 | Y | 91.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.9 | -27.2 | -179 | -71 | -58.3 | 0 | 0 | 0 | 112.3 | T49 L55 T57 P58 L63 R64 N294 E296 V297 | T49-Y60 HydrophobicContact CG2-CD1 4.03Å; T49-Y60 HydrophobicContact CG2-CG 4.37Å; L55-Y60 HydrophobicContact CB-CD2 3.88Å; L55-Y60 HydrophobicContact CB-CE2 4.39Å; L55-Y60 HydrophobicContact CB-CG 4.07Å; L55-Y60 HydrophobicContact CD2-CD1 4.35Å; L55-Y60 HydrophobicContact CD2-CD2 3.75Å; L55-Y60 HydrophobicContact CD2-CE1 4Å; L55-Y60 HydrophobicContact CD2-CE2 3.36Å; L55-Y60 HydrophobicContact CD2-CG 4.27Å; L55-Y60 HydrophobicContact CG-CD2 4.4Å; L55-Y60 HydrophobicContact CG-CE2 4.45Å; L55-Y60 WeakPolarHBondContact O-CB 3.5Å; L55-Y60 WeakPolarHBondContact O-CD2 3.07Å; T57-Y60 HydrophobicContact CG2-CD2 4.4Å; T57-Y60 PolarHBondContact O-N 2.92Å; T57-Y60 VanDerWaalsContact O-N 3.09Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.35Å; P58-Y60 PolarHBondContact O-N 2.97Å; Y60-L63 HydrophobicContact CD1-CD2 3.98Å; Y60-L63 HydrophobicContact CE1-CD2 4.36Å; Y60-L63 PolarHBondContact O-N 3.37Å; Y60-R64 WeakPolarHBondContact O-CB 3.44Å; Y60-R64 PolarHBondContact O-N 2.89Å; Y60-N294 PolarHBondContact OH-ND2 2.78Å; Y60-E296 WeakPolarHBondContact CE2-OE2 3.34Å; Y60-E296 WeakPolarHBondContact OH-CB 3.44Å; Y60-E296 PolarHBondContact OH-OE2 3.27Å; Y60-V297 HydrophobicContact CE1-CG2 3.77Å |
| 61 | F | 94.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 30.3 Ų | 30.3 | 18% | 0.18 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -45 | 168.7 | 170.1 | -94.7 | 0 | 0 | 0 | 111.8 | T57 P58 M59 R64 N65 C141 L142 A145 | T57-F61 PolarHBondContact O-N 3.16Å; P58-F61 WeakPolarHBondContact O-CB 3.34Å; P58-F61 PolarHBondContact O-N 3.03Å; M59-F61 VanDerWaalsContact C-N 3.32Å; F61-R64 PolarHBondContact O-N 2.87Å; F61-N65 PolarHBondContact O-N 3.3Å; F61-N65 PolarHBondContact O-ND2 3.19Å; F61-C141 HydrophobicContact CD1-CB 4.01Å; F61-C141 HydrophobicContact CE1-CB 4.03Å; F61-C141 WeakPolarHBondContact CE1-O 3.45Å; F61-L142 HydrophobicContact CE2-CD2 4.24Å; F61-L142 HydrophobicContact CZ-CD2 3.92Å; F61-A145 HydrophobicContact CE1-CB 3.66Å; F61-A145 HydrophobicContact CZ-CB 3.88Å |
| 62 | F | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 174.1 | -67.9 | -63.6 | 0 | 0 | 0 | 112.2 | P58 M59 R64 N65 L66 L114 M117 M118 M136 C141 M144 A145 | P58-F62 WeakPolarHBondContact O-CD2 3.42Å; P58-F62 PolarHBondContact O-N 3.32Å; M59-F62 PolarHBondContact O-N 2.81Å; F62-R64 VanDerWaalsContact C-N 3.26Å; F62-R64 PolarHBondContact O-N 3.06Å; F62-N65 WeakPolarHBondContact O-CB 3.34Å; F62-N65 PolarHBondContact O-N 3.15Å; F62-L66 PolarHBondContact O-N 3Å; F62-L114 HydrophobicContact CD1-CD2 4.28Å; F62-M117 HydrophobicContact CD1-CB 4.19Å; F62-M117 HydrophobicContact CE1-CB 3.92Å; F62-M117 HydrophobicContact CZ-CB 4.16Å; F62-M118 HydrophobicContact CB-CG 3.48Å; F62-M118 VanDerWaalsContact CB-CG 3.48Å; F62-M118 HydrophobicContact CB-SD 4.21Å; F62-M118 HydrophobicContact CG-CG 4.23Å; F62-M136 HydrophobicContact CE2-CE 3.73Å; F62-M136 HydrophobicContact CZ-CE 4.34Å; F62-C141 HydrophobicContact CZ-CB 4.27Å; F62-M144 HydrophobicContact CE1-CB 3.77Å; F62-M144 HydrophobicContact CZ-CB 3.8Å; F62-M144 HydrophobicContact CZ-SD 3.92Å; F62-A145 HydrophobicContact CE1-CB 4.43Å |
| 63 | L | 92.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 175.1 | -179.1 | 61.5 | 0 | 0 | 0 | 111.8 | I45 M59 Y60 L66 S67 M118 Y290 | I45-L63 HydrophobicContact CG2-CD2 3.96Å; I45-L63 HydrophobicContact CG2-CG 3.85Å; M59-L63 PolarHBondContact O-N 2.91Å; Y60-L63 HydrophobicContact CD1-CD2 3.98Å; Y60-L63 HydrophobicContact CE1-CD2 4.36Å; Y60-L63 PolarHBondContact O-N 3.37Å; L63-L66 HydrophobicContact CD1-CD2 4.44Å; L63-L66 PolarHBondContact O-N 3.39Å; L63-S67 PolarHBondContact O-N 3.43Å; L63-S67 PolarHBondContact O-OG 2.97Å; L63-M118 HydrophobicContact CB-CE 4.33Å; L63-M118 HydrophobicContact CD1-CE 4.34Å; L63-Y290 HydrophobicContact CD1-CD1 3.83Å; L63-Y290 HydrophobicContact CD1-CD2 3.37Å; L63-Y290 HydrophobicContact CD1-CE1 4.03Å; L63-Y290 HydrophobicContact CD1-CE2 3.59Å; L63-Y290 HydrophobicContact CD1-CG 3.51Å; L63-Y290 HydrophobicContact CD2-CD1 4.1Å; L63-Y290 HydrophobicContact CD2-CG 4.07Å; L63-Y290 HydrophobicContact CG-CG 4.46Å |
| 64 | R | 93.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 24.8 Ų | 24.8 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 174.3 | -178.3 | 173.7 | 66.1 | -169 | -1.9 | 112 | V46 S50 Y60 F61 F62 S67 L68 | V46-R64 HydrophobicContact CB-CG 4.43Å; V46-R64 HydrophobicContact CG1-CG 4.17Å; V46-R64 HydrophobicContact CG2-CG 4.23Å; S50-R64 WeakPolarHBondContact OG-CD 3.43Å; S50-R64 PolarHBondContact OG-NH1 3.43Å; Y60-R64 WeakPolarHBondContact O-CB 3.44Å; Y60-R64 PolarHBondContact O-N 2.89Å; F61-R64 PolarHBondContact O-N 2.87Å; F62-R64 VanDerWaalsContact C-N 3.26Å; F62-R64 PolarHBondContact O-N 3.06Å; R64-S67 PolarHBondContact O-N 3.18Å; R64-L68 HydrophobicContact CG-CD1 4.36Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 3.23Å |
| 65 | N | 96.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.9 | -79.7 | -86.5 | 0 | 0 | 0 | 111.4 | F61 F62 L68 L69 L114 W149 | F61-N65 PolarHBondContact O-N 3.3Å; F61-N65 PolarHBondContact O-ND2 3.19Å; F62-N65 WeakPolarHBondContact O-CB 3.34Å; F62-N65 PolarHBondContact O-N 3.15Å; N65-L68 PolarHBondContact O-N 2.92Å; N65-L69 WeakPolarHBondContact O-CB 3.41Å; N65-L69 PolarHBondContact O-N 3.47Å; N65-L114 HydrophobicContact CB-CD1 4.19Å; N65-L114 HydrophobicContact CB-CD2 3.99Å; N65-W149 PolarHBondContact OD1-NE1 2.9Å; N65-W149 VanDerWaalsContact OD1-NE1 3.08Å |
| 66 | L | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.1 | -177.1 | 65.9 | 0 | 0 | 0 | 110.9 | F62 L63 L68 L69 E70 E111 L115 M118 Y290 | F62-L66 PolarHBondContact O-N 3Å; L63-L66 HydrophobicContact CD1-CD2 4.44Å; L63-L66 PolarHBondContact O-N 3.39Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 2.84Å; L66-L69 WeakPolarHBondContact O-CB 3.38Å; L66-L69 PolarHBondContact O-N 3.16Å; L66-L69 VanDerWaalsContact O-N 3.16Å; L66-E70 VanDerWaalsContact O-CG 3.26Å; L66-E70 WeakPolarHBondContact O-CG 3.4Å; L66-E70 PolarHBondContact O-N 3.42Å; L66-E111 HydrophobicContact CD1-CG 3.82Å; L66-L115 HydrophobicContact CD2-CD2 4.08Å; L66-M118 HydrophobicContact CD2-SD 4.06Å; L66-Y290 HydrophobicContact CD2-CE2 4.1Å |
| 67 | S | 93.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.2 | -33.7 | 177.3 | -73.4 | 0 | 0 | 0 | 0 | 113.8 | N42 I45 L63 R64 V71 | N42-S67 WeakPolarHBondContact OD1-CA 3.47Å; N42-S67 VanDerWaalsContact OD1-CB 3.32Å; N42-S67 WeakPolarHBondContact OD1-CB 3.07Å; N42-S67 PolarHBondContact OD1-OG 3.07Å; I45-S67 WeakPolarHBondContact CG2-OG 3.46Å; L63-S67 PolarHBondContact O-N 3.43Å; L63-S67 PolarHBondContact O-OG 2.97Å; R64-S67 PolarHBondContact O-N 3.18Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.01Å; S67-V71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 94.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 20.3 Ų | 20.3 | 34% | 0.34 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 172.4 | -74.6 | 170.7 | 0 | 0 | 0 | 111.5 | V46 R64 N65 L66 E70 V71 C72 W149 | V46-L68 HydrophobicContact CG1-CD2 4.07Å; V46-L68 HydrophobicContact CG1-CG 4.43Å; V46-L68 HydrophobicContact CG2-CD2 3.89Å; V46-L68 HydrophobicContact CG2-CG 3.83Å; R64-L68 HydrophobicContact CG-CD1 4.36Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 3.23Å; N65-L68 PolarHBondContact O-N 2.92Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 2.84Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 2.77Å; L68-V71 PolarHBondContact O-N 3.44Å; L68-C72 PolarHBondContact O-N 3.05Å; L68-C72 PolarHBondContact O-SG 3.32Å; L68-W149 HydrophobicContact CB-CZ2 4.35Å |
| 69 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.8 | -176.4 | 154.8 | 0 | 0 | 0 | 111 | N65 L66 V71 C72 F73 F107 S110 E111 L114 W149 | N65-L69 WeakPolarHBondContact O-CB 3.41Å; N65-L69 PolarHBondContact O-N 3.47Å; L66-L69 WeakPolarHBondContact O-CB 3.38Å; L66-L69 PolarHBondContact O-N 3.16Å; L66-L69 VanDerWaalsContact O-N 3.16Å; L69-V71 PolarHBondContact O-N 2.97Å; L69-C72 PolarHBondContact O-N 3.24Å; L69-F73 WeakPolarHBondContact O-CB 3.27Å; L69-F73 PolarHBondContact O-N 3.15Å; L69-F107 HydrophobicContact CD2-CB 4Å; L69-F107 HydrophobicContact CD2-CD1 4.41Å; L69-F107 HydrophobicContact CG-CB 4.32Å; L69-F107 HydrophobicContact CG-CD1 3.89Å; L69-S110 VanDerWaalsContact CD1-CB 3.45Å; L69-E111 HydrophobicContact CD1-CB 4.29Å; L69-E111 HydrophobicContact CD2-CB 4.02Å; L69-L114 HydrophobicContact CB-CD1 4.48Å; L69-L114 HydrophobicContact CD1-CD1 3.85Å; L69-W149 HydrophobicContact CB-CH2 3.83Å; L69-W149 HydrophobicContact CB-CZ2 3.93Å; L69-W149 HydrophobicContact CG-CH2 4.35Å |
| 70 | E | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 178.6 | -72.2 | -73.5 | -167.2 | 0 | 0 | 113.2 | L66 L68 T74 P283 N286 | L66-E70 VanDerWaalsContact O-CG 3.26Å; L66-E70 WeakPolarHBondContact O-CG 3.4Å; L66-E70 PolarHBondContact O-N 3.42Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 2.77Å; E70-T74 WeakPolarHBondContact O-CB 3.19Å; E70-T74 PolarHBondContact O-N 3.44Å; E70-T74 PolarHBondContact O-OG1 2.87Å; E70-P283 WeakPolarHBondContact OE2-CA 3.3Å; E70-P283 WeakPolarHBondContact OE2-CB 3.34Å; E70-P283 VanDerWaalsContact OE2-CG 3.28Å; E70-P283 WeakPolarHBondContact OE2-CG 3.39Å; E70-N286 PolarHBondContact OE1-ND2 3.21Å |
| 71 | V | 92.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 172.9 | 165.6 | 0 | 0 | 0 | 0 | 110 | L39 N42 F43 S67 L68 L69 F73 T74 L75 | L39-V71 HydrophobicContact CD2-CB 4.33Å; L39-V71 HydrophobicContact CD2-CG1 4.02Å; L39-V71 HydrophobicContact CD2-CG2 4.2Å; N42-V71 HydrophobicContact CB-CG2 3.56Å; F43-V71 HydrophobicContact CE1-CG1 4.1Å; F43-V71 HydrophobicContact CE1-CG2 4.43Å; F43-V71 HydrophobicContact CE2-CG1 4.13Å; F43-V71 HydrophobicContact CE2-CG2 4.37Å; F43-V71 HydrophobicContact CZ-CG1 3.62Å; F43-V71 HydrophobicContact CZ-CG2 4.33Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.01Å; S67-V71 VanDerWaalsContact O-N 3.08Å; L68-V71 PolarHBondContact O-N 3.44Å; L69-V71 PolarHBondContact O-N 2.97Å; V71-F73 PolarHBondContact O-N 3.37Å; V71-T74 PolarHBondContact O-N 3.29Å; V71-L75 HydrophobicContact CG1-CD1 3.76Å; V71-L75 HydrophobicContact CG1-CG 4.4Å; V71-L75 WeakPolarHBondContact O-CB 3.24Å; V71-L75 WeakPolarHBondContact O-CG 2.84Å; V71-L75 PolarHBondContact O-N 3.43Å |
| 72 | C | 94.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 21.7 Ų | 21.7 | 32% | 0.324 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | -179.4 | -65.6 | 0 | 0 | 0 | 0 | 112 | L68 L69 L75 V76 F107 | L68-C72 PolarHBondContact O-N 3.05Å; L68-C72 PolarHBondContact O-SG 3.32Å; L69-C72 PolarHBondContact O-N 3.24Å; C72-L75 PolarHBondContact O-N 3.44Å; C72-V76 WeakPolarHBondContact O-CG2 3.48Å; C72-V76 PolarHBondContact O-N 2.87Å; C72-V76 VanDerWaalsContact O-N 3.12Å; C72-F107 HydrophobicContact CB-CD1 4.47Å; C72-F107 HydrophobicContact CB-CE1 3.54Å; C72-F107 HydrophobicContact CB-CE2 4.15Å; C72-F107 HydrophobicContact CB-CZ 3.37Å |
| 73 | F | 90.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 176.4 | 178.7 | -103.7 | 0 | 0 | 0 | 111.6 | L69 V71 L75 V76 M77 F104 F107 T279 P283 | L69-F73 WeakPolarHBondContact O-CB 3.27Å; L69-F73 PolarHBondContact O-N 3.15Å; V71-F73 PolarHBondContact O-N 3.37Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 PolarHBondContact O-N 2.91Å; F73-V76 PolarHBondContact O-N 2.86Å; F73-V76 VanDerWaalsContact O-N 3.11Å; F73-M77 HydrophobicContact CD1-CG 4.5Å; F73-M77 HydrophobicContact CD2-CG 4.03Å; F73-M77 HydrophobicContact CE1-CG 4.2Å; F73-M77 HydrophobicContact CE2-CG 3.74Å; F73-M77 HydrophobicContact CG-CG 4.43Å; F73-M77 HydrophobicContact CZ-CG 3.82Å; F73-M77 WeakPolarHBondContact O-CG 3.33Å; F73-M77 PolarHBondContact O-N 3.4Å; F73-F104 AromaticContact CE2-CD2 3.68Å; F73-F104 HydrophobicContact CE2-CD2 3.68Å; F73-F104 HydrophobicContact CE2-CE2 4.13Å; F73-F104 HydrophobicContact CZ-CD2 4Å; F73-F104 HydrophobicContact CZ-CE2 4.07Å; F73-F107 HydrophobicContact CB-CB 4.02Å; F73-F107 HydrophobicContact CB-CD2 3.84Å; F73-F107 HydrophobicContact CB-CG 3.97Å; F73-F107 HydrophobicContact CD2-CB 3.64Å; F73-F107 AromaticContact CD2-CD2 3.85Å; F73-F107 HydrophobicContact CD2-CD2 3.85Å; F73-F107 HydrophobicContact CD2-CG 4.14Å; F73-F107 HydrophobicContact CG-CB 4.23Å; F73-F107 HydrophobicContact CG-CD2 4.35Å; F73-T279 HydrophobicContact CZ-CG2 4.32Å; F73-P283 HydrophobicContact CD1-CG 4.2Å; F73-P283 HydrophobicContact CE1-CG 4.16Å |
| 74 | T | 89.8 | Confident | 90.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | Y35 T38 L39 E70 V71 V76 V78 P79 | Y35-T74 HydrophobicContact CD2-CG2 3.49Å; Y35-T74 VanDerWaalsContact CD2-CG2 3.49Å; Y35-T74 HydrophobicContact CE2-CG2 3.76Å; T38-T74 HydrophobicContact CG2-CG2 4.3Å; L39-T74 HydrophobicContact CD2-CG2 4.15Å; L39-T74 HydrophobicContact CG-CG2 4.37Å; E70-T74 WeakPolarHBondContact O-CB 3.19Å; E70-T74 PolarHBondContact O-N 3.44Å; E70-T74 PolarHBondContact O-OG1 2.87Å; V71-T74 PolarHBondContact O-N 3.29Å; T74-V76 VanDerWaalsContact C-N 3.3Å; T74-V76 PolarHBondContact O-N 2.89Å; T74-V78 HydrophobicContact CG2-CB 4.41Å; T74-V78 HydrophobicContact CG2-CG2 3.95Å; T74-V78 WeakPolarHBondContact O-CB 3.23Å; T74-V78 PolarHBondContact O-N 3.33Å; T74-P79 WeakPolarHBondContact O-CD 3.27Å |
| 75 | L | 91.6 | Very high | 90.1 | Very high | 79 Ų | 79 | 23.5 Ų | 23.5 | 41% | 0.414 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.7 | -28.2 | 177.2 | -73.6 | 170.9 | 0 | 0 | 0 | 113.5 | Y35 L39 V71 C72 F73 P79 | Y35-L75 HydrophobicContact CE2-CD2 4.5Å; Y35-L75 VanDerWaalsContact OH-CD2 3.24Å; Y35-L75 WeakPolarHBondContact OH-CD2 3.33Å; L39-L75 HydrophobicContact CD1-CD2 4.25Å; L39-L75 HydrophobicContact CD2-CD2 4.47Å; L39-L75 HydrophobicContact CD2-CG 4.3Å; V71-L75 HydrophobicContact CG1-CD1 3.76Å; V71-L75 HydrophobicContact CG1-CG 4.4Å; V71-L75 WeakPolarHBondContact O-CB 3.24Å; V71-L75 WeakPolarHBondContact O-CG 2.84Å; V71-L75 PolarHBondContact O-N 3.43Å; C72-L75 PolarHBondContact O-N 3.44Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 PolarHBondContact O-N 2.91Å; L75-P79 WeakPolarHBondContact O-CD 3.12Å; L75-P79 WeakPolarHBondContact O-CG 3.5Å |
| 76 | V | 90.1 | Very high | 89.6 | Confident | 42 Ų | 42 | 26.9 Ų | 26.9 | 26% | 0.255 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -85 | -39.3 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 112 | C72 F73 T74 Q100 F103 F107 | C72-V76 WeakPolarHBondContact O-CG2 3.48Å; C72-V76 PolarHBondContact O-N 2.87Å; C72-V76 VanDerWaalsContact O-N 3.12Å; F73-V76 PolarHBondContact O-N 2.86Å; F73-V76 VanDerWaalsContact O-N 3.11Å; T74-V76 VanDerWaalsContact C-N 3.3Å; T74-V76 PolarHBondContact O-N 2.89Å; V76-Q100 HydrophobicContact CG1-CG 4.34Å; V76-Q100 PolarHBondContact O-NE2 3.5Å; V76-F103 HydrophobicContact CB-CB 4.28Å; V76-F103 HydrophobicContact CG1-CB 3.68Å; V76-F103 HydrophobicContact CG1-CD2 4.05Å; V76-F103 HydrophobicContact CG1-CG 4.15Å; V76-F103 HydrophobicContact CG2-CB 4.2Å; V76-F103 HydrophobicContact CG2-CD2 4.1Å; V76-F103 HydrophobicContact CG2-CG 4.04Å; V76-F107 HydrophobicContact CG2-CE2 4.05Å |
| 77 | M | 85.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -86.1 | -43.2 | -171.4 | -61.2 | -51.5 | -65.4 | 0 | 0 | 113.2 | F73 Q100 F104 F178 | F73-M77 HydrophobicContact CD1-CG 4.5Å; F73-M77 HydrophobicContact CD2-CG 4.03Å; F73-M77 HydrophobicContact CE1-CG 4.2Å; F73-M77 HydrophobicContact CE2-CG 3.74Å; F73-M77 HydrophobicContact CG-CG 4.43Å; F73-M77 HydrophobicContact CZ-CG 3.82Å; F73-M77 WeakPolarHBondContact O-CG 3.33Å; F73-M77 PolarHBondContact O-N 3.4Å; M77-Q100 HydrophobicContact CE-CG 4.03Å; M77-Q100 HydrophobicContact SD-CG 3.68Å; M77-F104 HydrophobicContact CE-CB 4.46Å; M77-F104 HydrophobicContact CE-CD2 3.92Å; M77-F104 HydrophobicContact SD-CB 4.15Å; M77-F104 HydrophobicContact SD-CD2 4.22Å; M77-F178 HydrophobicContact CE-CB 4.07Å; M77-F178 HydrophobicContact CE-CD1 4.08Å; M77-F178 HydrophobicContact CE-CD2 3.23Å; M77-F178 HydrophobicContact CE-CE1 4.27Å; M77-F178 HydrophobicContact CE-CE2 3.51Å; M77-F178 HydrophobicContact CE-CG 3.55Å; M77-F178 HydrophobicContact CE-CZ 4.04Å |
| 78 | V | 87 | Confident | 88.3 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -82.9 | -39.9 | -165.3 | -179.6 | 0 | 0 | 0 | 0 | 114.4 | Y35 T74 K80 M81 L82 V280 | Y35-V78 HydrophobicContact CD2-CB 3.72Å; Y35-V78 HydrophobicContact CD2-CG1 3.54Å; Y35-V78 HydrophobicContact CD2-CG2 4.37Å; Y35-V78 HydrophobicContact CE2-CB 4.2Å; Y35-V78 HydrophobicContact CE2-CG1 4.35Å; Y35-V78 HydrophobicContact CG-CG1 3.96Å; T74-V78 HydrophobicContact CG2-CB 4.41Å; T74-V78 HydrophobicContact CG2-CG2 3.95Å; T74-V78 WeakPolarHBondContact O-CB 3.23Å; T74-V78 PolarHBondContact O-N 3.33Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 3.3Å; V78-M81 HydrophobicContact CG1-CE 3.98Å; V78-M81 WeakPolarHBondContact O-CB 3.42Å; V78-M81 PolarHBondContact O-N 3.5Å; V78-M81 VanDerWaalsContact O-N 3.14Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 3.99Å; V78-L82 PolarHBondContact O-N 3.01Å; V78-V280 HydrophobicContact CG2-CG2 4.47Å |
| 79 | P | 88.5 | Confident | 87.6 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 28% | 0.279 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.8 | -39.5 | -175.6 | -30.8 | 39.2 | 0 | 0 | 0 | 113.9 | Y35 T74 L75 M81 L82 V83 | Y35-P79 HydrophobicContact CE2-CG 4.27Å; T74-P79 WeakPolarHBondContact O-CD 3.27Å; L75-P79 WeakPolarHBondContact O-CD 3.12Å; L75-P79 WeakPolarHBondContact O-CG 3.5Å; P79-M81 PolarHBondContact O-N 3.42Å; P79-L82 PolarHBondContact O-N 3.33Å; P79-V83 WeakPolarHBondContact O-CG2 3.4Å; P79-V83 PolarHBondContact O-N 3.23Å |
| 80 | K | 87.2 | Confident | 87 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.4 | -174.5 | 57.7 | 169.8 | 76.2 | 0 | 111.9 | L14 V78 L82 V83 D84 V91 I92 | L14-K80 HydrophobicContact CD1-CG 4.44Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 3.3Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 3.12Å; K80-V83 PolarHBondContact O-N 2.89Å; K80-D84 IonicContact NZ-OD1 2.7Å; K80-D84 PolarHBondContact NZ-OD1 3.37Å; K80-D84 IonicContact NZ-OD2 3.28Å; K80-D84 PolarHBondContact NZ-OD2 3.08Å; K80-D84 PolarHBondContact O-N 2.9Å; K80-V91 WeakPolarHBondContact CE-O 3.27Å; K80-V91 PolarHBondContact NZ-O 2.92Å; K80-I92 HydrophobicContact CG-CD1 4.41Å |
| 81 | M | 85.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 174.4 | 178.9 | -174.3 | 67.9 | 0 | 0 | 111.4 | F17 F31 V78 P79 D84 L85 F177 L276 V280 | F17-M81 HydrophobicContact CE2-CG 4.05Å; F17-M81 HydrophobicContact CE2-SD 3.66Å; F17-M81 HydrophobicContact CZ-SD 4.08Å; F31-M81 HydrophobicContact CB-CE 3.8Å; F31-M81 HydrophobicContact CD1-CE 3.86Å; F31-M81 HydrophobicContact CD2-CE 3.84Å; F31-M81 HydrophobicContact CD2-SD 4.2Å; F31-M81 HydrophobicContact CE1-CE 4.41Å; F31-M81 HydrophobicContact CE2-CE 4.36Å; F31-M81 HydrophobicContact CE2-SD 4.2Å; F31-M81 HydrophobicContact CG-CE 3.56Å; F31-M81 HydrophobicContact CG-SD 4.44Å; F31-M81 HydrophobicContact CZ-SD 4.48Å; V78-M81 HydrophobicContact CG1-CE 3.98Å; V78-M81 WeakPolarHBondContact O-CB 3.42Å; V78-M81 PolarHBondContact O-N 3.5Å; V78-M81 VanDerWaalsContact O-N 3.14Å; P79-M81 PolarHBondContact O-N 3.42Å; M81-D84 PolarHBondContact O-N 3.06Å; M81-L85 HydrophobicContact CG-CD1 4.49Å; M81-L85 WeakPolarHBondContact O-CG 3.29Å; M81-L85 PolarHBondContact O-N 3.39Å; M81-F177 HydrophobicContact CB-CD2 4.38Å; M81-F177 HydrophobicContact CG-CB 4.37Å; M81-F177 HydrophobicContact CG-CD2 3.88Å; M81-F177 HydrophobicContact SD-CD2 3.36Å; M81-F177 WeakPolarHBondContact SD-CD2 3.19Å; M81-F177 HydrophobicContact SD-CE2 3.71Å; M81-F177 HydrophobicContact SD-CG 4.28Å; M81-L276 HydrophobicContact SD-CD2 4.44Å; M81-V280 HydrophobicContact CE-CG2 4.29Å |
| 82 | L | 88.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.9 | -70 | 174.8 | 0 | 0 | 0 | 111.9 | F28 F31 L32 Y35 V78 P79 K80 D84 L85 | F28-L82 HydrophobicContact CD2-CB 4.35Å; F28-L82 HydrophobicContact CD2-CD2 4.1Å; F28-L82 WeakPolarHBondContact CD2-O 3.41Å; F28-L82 HydrophobicContact CE2-CB 4.1Å; F28-L82 HydrophobicContact CE2-CD2 4.32Å; F31-L82 HydrophobicContact CB-CD2 3.65Å; L32-L82 HydrophobicContact CB-CD2 4.21Å; L32-L82 HydrophobicContact CD1-CD1 4.09Å; Y35-L82 HydrophobicContact CD1-CD1 4.32Å; Y35-L82 HydrophobicContact CG-CD1 4.3Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 3.99Å; V78-L82 PolarHBondContact O-N 3.01Å; P79-L82 PolarHBondContact O-N 3.33Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 3.12Å; L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 3.36Å |
| 83 | V | 87.9 | Confident | 86.2 | Confident | 78 Ų | 78 | 46 Ų | 46 | 47% | 0.473 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | P79 K80 L85 V86 S87 | P79-V83 WeakPolarHBondContact O-CG2 3.4Å; P79-V83 PolarHBondContact O-N 3.23Å; K80-V83 PolarHBondContact O-N 2.89Å; V83-L85 PolarHBondContact O-N 3.41Å; V83-V86 WeakPolarHBondContact O-CG2 3.35Å; V83-V86 PolarHBondContact O-N 3.48Å; V83-V86 VanDerWaalsContact O-N 3.16Å; V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 3.44Å |
| 84 | D | 85.9 | Confident | 85.9 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -20.6 | -179.3 | -72.9 | -19.7 | 0 | 0 | 0 | 114.1 | L14 K80 M81 L82 V86 K90 | L14-D84 VanDerWaalsContact CD1-OD2 3.26Å; L14-D84 WeakPolarHBondContact CD1-OD2 3.33Å; K80-D84 IonicContact NZ-OD1 2.7Å; K80-D84 PolarHBondContact NZ-OD1 3.37Å; K80-D84 IonicContact NZ-OD2 3.28Å; K80-D84 PolarHBondContact NZ-OD2 3.08Å; K80-D84 PolarHBondContact O-N 2.9Å; M81-D84 PolarHBondContact O-N 3.06Å; L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 3.41Å; D84-V86 VanDerWaalsContact C-N 3.34Å; D84-K90 HydrophobicContact CB-CB 4.37Å; D84-K90 HydrophobicContact CB-CG 4.23Å; D84-K90 WeakPolarHBondContact O-CE 3.34Å; D84-K90 WeakPolarHBondContact OD1-CA 3.32Å |
| 85 | L | 84.5 | Confident | 85.8 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.1 | -22.9 | 174.3 | -72.7 | 163.9 | 0 | 0 | 0 | 112.9 | F17 Q24 L27 F28 F31 M81 L82 V83 | F17-L85 HydrophobicContact CD2-CD2 4.43Å; Q24-L85 WeakPolarHBondContact CB-O 3.24Å; Q24-L85 HydrophobicContact CG-CD2 4.45Å; L27-L85 HydrophobicContact CB-CD1 4.28Å; L27-L85 HydrophobicContact CB-CD2 3.99Å; L27-L85 HydrophobicContact CD1-CD2 4.36Å; F28-L85 HydrophobicContact CB-CB 4.08Å; F28-L85 HydrophobicContact CB-CD1 4.41Å; F28-L85 HydrophobicContact CD2-CB 4.31Å; F31-L85 HydrophobicContact CD2-CD1 3.64Å; F31-L85 HydrophobicContact CE2-CD1 4.26Å; M81-L85 HydrophobicContact CG-CD1 4.49Å; M81-L85 WeakPolarHBondContact O-CG 3.29Å; M81-L85 PolarHBondContact O-N 3.39Å; L82-L85 PolarHBondContact O-N 3.36Å; V83-L85 PolarHBondContact O-N 3.41Å |
| 86 | V | 85.4 | Confident | 85.6 | Confident | 92 Ų | 92 | 50 Ų | 50 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -113 | -9.9 | -179.4 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | F28 V83 D84 | F28-V86 HydrophobicContact CB-CG1 4.25Å; F28-V86 HydrophobicContact CD1-CG1 4.25Å; F28-V86 HydrophobicContact CD2-CG1 3.47Å; F28-V86 VanDerWaalsContact CD2-CG1 3.47Å; F28-V86 HydrophobicContact CE2-CG1 3.77Å; F28-V86 HydrophobicContact CE2-CG2 4.34Å; F28-V86 HydrophobicContact CG-CG1 3.72Å; F28-V86 HydrophobicContact CZ-CG1 4.29Å; V83-V86 WeakPolarHBondContact O-CG2 3.35Å; V83-V86 PolarHBondContact O-N 3.48Å; V83-V86 VanDerWaalsContact O-N 3.16Å; D84-V86 VanDerWaalsContact C-N 3.34Å |
| 87 | S | 84.1 | Confident | 85.4 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | trans | -89.2 | 139 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | V83 R89 | V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 3.44Å; S87-R89 PolarHBondContact OG-N 2.84Å; S87-R89 VanDerWaalsContact OG-N 3.15Å; S87-R89 PolarHBondContact OG-O 3.22Å | ||
| 88 | T | 76.6 | Confident | 85.6 | Confident | 146 Ų | 146 | 48.1 Ų | 48.1 | 90% | 0.896 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -74.1 | -27.7 | 169.3 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 89 | R | 78.8 | Confident | 85.7 | Confident | 191 Ų | 191 | 51 Ų | 51 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | trans | -108 | 103.9 | 173.2 | -75 | -167.7 | 178.8 | -156.2 | 1.8 | 110.1 | S87 V91 | S87-R89 PolarHBondContact OG-N 2.84Å; S87-R89 VanDerWaalsContact OG-N 3.15Å; S87-R89 PolarHBondContact OG-O 3.22Å; R89-V91 VanDerWaalsContact C-N 3.26Å; R89-V91 HydrophobicContact CB-CG2 4.49Å; R89-V91 PolarHBondContact O-N 3.35Å | ||
| 90 | K | 82.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | trans | -91.2 | 52.7 | -179.3 | -56.4 | 178 | -174.9 | 177.3 | 0 | 111.4 | V13 L14 D84 | V13-K90 CarbonylContact C-O 3.49Å; V13-K90 WeakPolarHBondContact CA-O 3.39Å; L14-K90 PolarHBondContact N-O 3.49Å; L14-K90 WeakPolarHBondContact O-CB 3.46Å; L14-K90 WeakPolarHBondContact O-CD 3.37Å; D84-K90 HydrophobicContact CB-CB 4.37Å; D84-K90 HydrophobicContact CB-CG 4.23Å; D84-K90 WeakPolarHBondContact O-CE 3.34Å; D84-K90 WeakPolarHBondContact OD1-CA 3.32Å | ||
| 91 | V | 85.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 30% | 0.297 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 149.2 | -175.5 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | F12 V13 K80 R89 | F12-V91 CarbonylContact O-C 3.55Å; F12-V91 VanDerWaalsContact O-CA 3.25Å; F12-V91 WeakPolarHBondContact O-CA 3.42Å; V13-V91 HydrophobicContact CG2-CG1 4.16Å; K80-V91 WeakPolarHBondContact CE-O 3.27Å; K80-V91 PolarHBondContact NZ-O 2.92Å; R89-V91 VanDerWaalsContact C-N 3.26Å; R89-V91 HydrophobicContact CB-CG2 4.49Å; R89-V91 PolarHBondContact O-N 3.35Å |
| 92 | I | 86.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.3 | 168.7 | -170.6 | 170.6 | 0 | 0 | 0 | 108.3 | E11 F12 L14 K80 C97 | E11-I92 CarbonylContact C-O 3.17Å; E11-I92 WeakPolarHBondContact CA-O 3.49Å; F12-I92 HydrophobicContact CB-CG2 3.87Å; F12-I92 PolarHBondContact N-O 3.15Å; F12-I92 PolarHBondContact O-N 3.43Å; L14-I92 HydrophobicContact CD1-CB 4.28Å; L14-I92 HydrophobicContact CD1-CG2 3.99Å; L14-I92 HydrophobicContact CG-CG2 4.14Å; K80-I92 HydrophobicContact CG-CD1 4.41Å; I92-C97 HydrophobicContact CD1-CB 4.46Å; I92-C97 HydrophobicContact CG2-CB 4.33Å |
| 93 | S | 89.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 153.9 | 176.8 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | I95 G96 C97 | S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.94Å; S93-G96 PolarHBondContact O-N 2.83Å; S93-G96 VanDerWaalsContact O-N 3.07Å; S93-G96 PolarHBondContact OG-N 2.95Å; S93-C97 WeakPolarHBondContact O-CB 3.48Å; S93-C97 PolarHBondContact O-N 3.44Å |
| 94 | F | 83.7 | Confident | 86.4 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.7 | -49.2 | 174.4 | -177.7 | -105.8 | 0 | 0 | 0 | 111 | T10 F12 G96 C97 G98 M164 F168 | T10-F94 WeakPolarHBondContact O-CB 3.42Å; T10-F94 PolarHBondContact O-N 3.07Å; F12-F94 HydrophobicContact CE2-CB 4.5Å; F12-F94 AromaticContact CE2-CD2 3.52Å; F12-F94 HydrophobicContact CE2-CD2 3.52Å; F12-F94 HydrophobicContact CE2-CE2 4.18Å; F12-F94 HydrophobicContact CE2-CG 4.44Å; F12-F94 AromaticContact CZ-CD2 3.77Å; F12-F94 HydrophobicContact CZ-CD2 3.77Å; F12-F94 HydrophobicContact CZ-CE2 4.11Å; F94-G96 PolarHBondContact O-N 2.85Å; F94-C97 WeakPolarHBondContact O-CB 3.31Å; F94-C97 PolarHBondContact O-N 2.69Å; F94-G98 PolarHBondContact O-N 2.71Å; F94-M164 HydrophobicContact CD1-CE 3.3Å; F94-M164 HydrophobicContact CD2-CE 3.95Å; F94-M164 HydrophobicContact CE1-CB 4.3Å; F94-M164 HydrophobicContact CE1-CE 3.12Å; F94-M164 HydrophobicContact CE1-SD 4.12Å; F94-M164 HydrophobicContact CE2-CE 3.75Å; F94-M164 HydrophobicContact CE2-SD 3.97Å; F94-M164 HydrophobicContact CG-CE 3.72Å; F94-M164 HydrophobicContact CZ-CB 4.08Å; F94-M164 HydrophobicContact CZ-CE 3.34Å; F94-M164 WeakPolarHBondContact CZ-O 3.41Å; F94-M164 HydrophobicContact CZ-SD 3.73Å; F94-M164 WeakPolarHBondContact O-CE 3.41Å; F94-F168 AromaticContact CE2-CD2 3.55Å; F94-F168 HydrophobicContact CE2-CD2 3.55Å; F94-F168 AromaticContact CE2-CE2 3.75Å; F94-F168 HydrophobicContact CE2-CE2 3.75Å; F94-F168 HydrophobicContact CE2-CG 4.34Å; F94-F168 HydrophobicContact CZ-CD2 4.1Å; F94-F168 HydrophobicContact CZ-CE2 4.18Å |
| 95 | I | 87.6 | Confident | 86.4 | Confident | 125 Ų | 125 | 51.6 Ų | 51.6 | 64% | 0.641 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 177.7 | -59.9 | 175.3 | 0 | 0 | 0 | 111.1 | S93 C97 G98 T99 | S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.94Å; I95-C97 VanDerWaalsContact C-N 3.27Å; I95-C97 PolarHBondContact O-N 2.92Å; I95-G98 PolarHBondContact O-N 2.95Å; I95-T99 PolarHBondContact O-N 2.82Å; I95-T99 PolarHBondContact O-OG1 2.97Å |
| 96 | G | 87.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S93 F94 T99 Q100 | S93-G96 PolarHBondContact O-N 2.83Å; S93-G96 VanDerWaalsContact O-N 3.07Å; S93-G96 PolarHBondContact OG-N 2.95Å; F94-G96 PolarHBondContact O-N 2.85Å; G96-T99 PolarHBondContact O-N 3.05Å; G96-Q100 WeakPolarHBondContact O-CB 3.44Å; G96-Q100 PolarHBondContact O-N 2.62Å |
| 97 | C | 86.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 174.4 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | F12 I92 S93 F94 I95 T99 Q100 M101 C179 | F12-C97 HydrophobicContact CD2-CB 3.76Å; F12-C97 HydrophobicContact CE2-CB 3.98Å; I92-C97 HydrophobicContact CD1-CB 4.46Å; I92-C97 HydrophobicContact CG2-CB 4.33Å; S93-C97 WeakPolarHBondContact O-CB 3.48Å; S93-C97 PolarHBondContact O-N 3.44Å; F94-C97 WeakPolarHBondContact O-CB 3.31Å; F94-C97 PolarHBondContact O-N 2.69Å; I95-C97 VanDerWaalsContact C-N 3.27Å; I95-C97 PolarHBondContact O-N 2.92Å; C97-T99 PolarHBondContact O-N 3.35Å; C97-Q100 PolarHBondContact O-N 2.87Å; C97-M101 WeakPolarHBondContact O-CB 3.36Å; C97-M101 PolarHBondContact O-N 3.08Å; C97-C179 WeakPolarHBondContact CA-SG 3.43Å; C97-C179 HydrophobicContact CB-CB 3.93Å; C97-C179 WeakPolarHBondContact CB-SG 3.34Å; C97-C179 WeakPolarHBondContact SG-CB 3.48Å; C97-C179 CovalentContact SG-SG 2.02Å; C97-C179 PolarHBondContact SG-SG 3.45Å |
| 98 | G | 88.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F94 I95 M101 Y102 T160 | F94-G98 PolarHBondContact O-N 2.71Å; I95-G98 PolarHBondContact O-N 2.95Å; G98-M101 PolarHBondContact O-N 2.99Å; G98-Y102 WeakPolarHBondContact O-CB 3.41Å; G98-Y102 PolarHBondContact O-N 3.32Å; G98-T160 WeakPolarHBondContact O-CG2 3.31Å |
| 99 | T | 90.6 | Very high | 88.1 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 41% | 0.405 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -44.7 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | I95 G96 C97 M101 Y102 F103 | I95-T99 PolarHBondContact O-N 2.82Å; I95-T99 PolarHBondContact O-OG1 2.97Å; G96-T99 PolarHBondContact O-N 3.05Å; C97-T99 PolarHBondContact O-N 3.35Å; T99-M101 VanDerWaalsContact C-N 3.33Å; T99-M101 PolarHBondContact O-N 3.39Å; T99-Y102 PolarHBondContact O-N 3.45Å; T99-F103 HydrophobicContact CG2-CD2 3.76Å; T99-F103 HydrophobicContact CG2-CE2 3.59Å; T99-F103 WeakPolarHBondContact O-CD2 3.27Å; T99-F103 PolarHBondContact O-N 3.42Å; T99-F103 VanDerWaalsContact O-N 3.12Å |
| 100 | Q | 89.6 | Confident | 88.8 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 177 | -172.9 | 173.6 | 56.4 | 0 | 0 | 111.3 | V76 M77 G96 C97 F103 F104 | V76-Q100 HydrophobicContact CG1-CG 4.34Å; V76-Q100 PolarHBondContact O-NE2 3.5Å; M77-Q100 HydrophobicContact CE-CG 4.03Å; M77-Q100 HydrophobicContact SD-CG 3.68Å; G96-Q100 WeakPolarHBondContact O-CB 3.44Å; G96-Q100 PolarHBondContact O-N 2.62Å; C97-Q100 PolarHBondContact O-N 2.87Å; Q100-F103 PolarHBondContact O-N 3.37Å; Q100-F104 WeakPolarHBondContact O-CB 3.5Å; Q100-F104 PolarHBondContact O-N 2.84Å |
| 101 | M | 87.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 178.5 | -163.4 | 177.7 | 71.9 | 0 | 0 | 112.7 | C97 G98 T99 F103 F104 F105 T160 M163 | C97-M101 WeakPolarHBondContact O-CB 3.36Å; C97-M101 PolarHBondContact O-N 3.08Å; G98-M101 PolarHBondContact O-N 2.99Å; T99-M101 VanDerWaalsContact C-N 3.33Å; T99-M101 PolarHBondContact O-N 3.39Å; M101-F103 PolarHBondContact O-N 3.29Å; M101-F104 WeakPolarHBondContact O-CB 3.44Å; M101-F104 PolarHBondContact O-N 3.49Å; M101-F105 HydrophobicContact CE-CE2 3.77Å; M101-F105 HydrophobicContact CG-CD2 3.99Å; M101-F105 HydrophobicContact CG-CE2 3.4Å; M101-F105 VanDerWaalsContact CG-CE2 3.4Å; M101-F105 HydrophobicContact CG-CZ 3.86Å; M101-F105 VanDerWaalsContact O-CD2 3.27Å; M101-F105 WeakPolarHBondContact O-CD2 3.48Å; M101-F105 PolarHBondContact O-N 2.94Å; M101-F105 VanDerWaalsContact O-N 3.08Å; M101-F105 HydrophobicContact SD-CE2 3.72Å; M101-F105 HydrophobicContact SD-CZ 4.02Å; M101-T160 HydrophobicContact CE-CG2 4.2Å; M101-M163 HydrophobicContact CE-CB 3.63Å; M101-M163 HydrophobicContact CE-CE 4.38Å; M101-M163 HydrophobicContact CE-CG 3.94Å; M101-M163 HydrophobicContact CE-SD 3.33Å; M101-M163 WeakPolarHBondContact CE-SD 3.23Å; M101-M163 HydrophobicContact SD-CE 4.12Å; M101-M163 HydrophobicContact SD-SD 3.26Å |
| 102 | Y | 92.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.9 | -52.6 | 173.6 | 172.4 | -92 | 0 | 0 | 0 | 111.4 | G98 T99 F104 F105 F106 S156 M157 T160 | G98-Y102 WeakPolarHBondContact O-CB 3.41Å; G98-Y102 PolarHBondContact O-N 3.32Å; T99-Y102 PolarHBondContact O-N 3.45Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 2.79Å; Y102-F105 PolarHBondContact O-N 3.35Å; Y102-F106 HydrophobicContact CE1-CB 4.38Å; Y102-F106 VanDerWaalsContact O-CB 3.26Å; Y102-F106 WeakPolarHBondContact O-CB 3.47Å; Y102-F106 PolarHBondContact O-N 3.08Å; Y102-S156 WeakPolarHBondContact O-CB 3.46Å; Y102-S156 PolarHBondContact O-OG 2.98Å; Y102-M157 HydrophobicContact CE2-CG 3.71Å; Y102-T160 VanDerWaalsContact CA-OG1 3.28Å; Y102-T160 WeakPolarHBondContact CA-OG1 3.31Å; Y102-T160 PolarHBondContact N-OG1 3.36Å |
| 103 | F | 93.1 | Very high | 90 | Very high | 65 Ų | 65 | 29.9 Ų | 29.9 | 29% | 0.285 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.3 | -35 | -179 | -81.2 | -61.3 | 0 | 0 | 0 | 112.3 | V76 T99 Q100 M101 F106 F107 | V76-F103 HydrophobicContact CB-CB 4.28Å; V76-F103 HydrophobicContact CG1-CB 3.68Å; V76-F103 HydrophobicContact CG1-CD2 4.05Å; V76-F103 HydrophobicContact CG1-CG 4.15Å; V76-F103 HydrophobicContact CG2-CB 4.2Å; V76-F103 HydrophobicContact CG2-CD2 4.1Å; V76-F103 HydrophobicContact CG2-CG 4.04Å; T99-F103 HydrophobicContact CG2-CD2 3.76Å; T99-F103 HydrophobicContact CG2-CE2 3.59Å; T99-F103 WeakPolarHBondContact O-CD2 3.27Å; T99-F103 PolarHBondContact O-N 3.42Å; T99-F103 VanDerWaalsContact O-N 3.12Å; Q100-F103 PolarHBondContact O-N 3.37Å; M101-F103 PolarHBondContact O-N 3.29Å; F103-F106 PolarHBondContact O-N 3.06Å; F103-F107 HydrophobicContact CB-CD2 4.03Å; F103-F107 HydrophobicContact CB-CE2 3.77Å; F103-F107 HydrophobicContact CD1-CD2 4.37Å; F103-F107 AromaticContact CD1-CE2 3.55Å; F103-F107 HydrophobicContact CD1-CE2 3.55Å; F103-F107 AromaticContact CD1-CZ 3.73Å; F103-F107 HydrophobicContact CD1-CZ 3.73Å; F103-F107 HydrophobicContact CE1-CE2 4.49Å; F103-F107 HydrophobicContact CE1-CZ 4.3Å; F103-F107 AromaticContact CG-CE2 3.97Å; F103-F107 HydrophobicContact CG-CE2 3.97Å; F103-F107 WeakPolarHBondContact O-CB 3.49Å; F103-F107 WeakPolarHBondContact O-CD2 3.35Å; F103-F107 WeakPolarHBondContact O-CG 3.43Å; F103-F107 PolarHBondContact O-N 3.47Å |
| 104 | F | 87.5 | Confident | 90.3 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 13% | 0.127 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.9 | -52.3 | 174 | 178.6 | -100.4 | 0 | 0 | 0 | 111.6 | F73 M77 Q100 M101 Y102 F106 G108 Y278 T279 | F73-F104 AromaticContact CE2-CD2 3.68Å; F73-F104 HydrophobicContact CE2-CD2 3.68Å; F73-F104 HydrophobicContact CE2-CE2 4.13Å; F73-F104 HydrophobicContact CZ-CD2 4Å; F73-F104 HydrophobicContact CZ-CE2 4.07Å; M77-F104 HydrophobicContact CE-CB 4.46Å; M77-F104 HydrophobicContact CE-CD2 3.92Å; M77-F104 HydrophobicContact SD-CB 4.15Å; M77-F104 HydrophobicContact SD-CD2 4.22Å; Q100-F104 WeakPolarHBondContact O-CB 3.5Å; Q100-F104 PolarHBondContact O-N 2.84Å; M101-F104 WeakPolarHBondContact O-CB 3.44Å; M101-F104 PolarHBondContact O-N 3.49Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 2.79Å; F104-F106 VanDerWaalsContact C-N 3.32Å; F104-F106 PolarHBondContact O-N 3.27Å; F104-G108 PolarHBondContact O-N 3.41Å; F104-G108 VanDerWaalsContact O-N 3.1Å; F104-Y278 HydrophobicContact CE2-CD2 4.02Å; F104-Y278 AromaticContact CE2-CE2 3.49Å; F104-Y278 HydrophobicContact CE2-CE2 3.49Å; F104-Y278 VanDerWaalsContact CE2-CE2 3.49Å; F104-Y278 HydrophobicContact CZ-CD2 4.13Å; F104-Y278 AromaticContact CZ-CE2 3.45Å; F104-Y278 HydrophobicContact CZ-CE2 3.45Å; F104-Y278 VanDerWaalsContact CZ-CE2 3.45Å; F104-T279 HydrophobicContact CE2-CG2 4.13Å |
| 105 | F | 87.6 | Confident | 90.8 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 17% | 0.171 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | 177 | -64.9 | -43.3 | 0 | 0 | 0 | 112.8 | M101 Y102 S109 S156 Q159 | M101-F105 HydrophobicContact CE-CE2 3.77Å; M101-F105 HydrophobicContact CG-CD2 3.99Å; M101-F105 HydrophobicContact CG-CE2 3.4Å; M101-F105 VanDerWaalsContact CG-CE2 3.4Å; M101-F105 HydrophobicContact CG-CZ 3.86Å; M101-F105 VanDerWaalsContact O-CD2 3.27Å; M101-F105 WeakPolarHBondContact O-CD2 3.48Å; M101-F105 PolarHBondContact O-N 2.94Å; M101-F105 VanDerWaalsContact O-N 3.08Å; M101-F105 HydrophobicContact SD-CE2 3.72Å; M101-F105 HydrophobicContact SD-CZ 4.02Å; Y102-F105 PolarHBondContact O-N 3.35Å; F105-S109 VanDerWaalsContact O-CB 3.28Å; F105-S109 WeakPolarHBondContact O-CB 3.38Å; F105-S109 PolarHBondContact O-N 3.48Å; F105-S109 PolarHBondContact O-OG 3.42Å; F105-S156 WeakPolarHBondContact CB-OG 3.47Å; F105-Q159 HydrophobicContact CD2-CB 3.84Å; F105-Q159 HydrophobicContact CE2-CB 3.65Å; F105-Q159 HydrophobicContact CE2-CG 4.48Å; F105-Q159 HydrophobicContact CZ-CB 4.42Å |
| 106 | F | 93.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 20 Ų | 20 | 11% | 0.105 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -55.1 | -175.8 | 172.9 | -96.4 | 0 | 0 | 0 | 110.4 | Y102 F103 F104 S109 S110 W149 V153 S156 | Y102-F106 HydrophobicContact CE1-CB 4.38Å; Y102-F106 VanDerWaalsContact O-CB 3.26Å; Y102-F106 WeakPolarHBondContact O-CB 3.47Å; Y102-F106 PolarHBondContact O-N 3.08Å; F103-F106 PolarHBondContact O-N 3.06Å; F104-F106 VanDerWaalsContact C-N 3.32Å; F104-F106 PolarHBondContact O-N 3.27Å; F106-S109 PolarHBondContact O-N 2.98Å; F106-S110 WeakPolarHBondContact O-CB 3.42Å; F106-S110 PolarHBondContact O-N 2.95Å; F106-S110 PolarHBondContact O-OG 3.43Å; F106-W149 AromaticContact CE1-CE3 3.87Å; F106-W149 HydrophobicContact CE1-CE3 3.87Å; F106-W149 AromaticContact CE1-CZ3 3.98Å; F106-W149 HydrophobicContact CE1-CZ3 3.98Å; F106-W149 WeakPolarHBondContact CE2-O 3.21Å; F106-W149 AromaticContact CZ-CE3 3.93Å; F106-W149 HydrophobicContact CZ-CE3 3.93Å; F106-W149 HydrophobicContact CZ-CZ3 4.47Å; F106-W149 VanDerWaalsContact CZ-O 3.27Å; F106-W149 WeakPolarHBondContact CZ-O 3.31Å; F106-V153 HydrophobicContact CD2-CG2 4.11Å; F106-V153 HydrophobicContact CE2-CG2 3.68Å; F106-S156 WeakPolarHBondContact CA-OG 3.14Å; F106-S156 WeakPolarHBondContact CB-OG 3.21Å; F106-S156 PolarHBondContact N-OG 3.31Å |
| 107 | F | 92.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 4% | 0.039 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | -179.4 | -66.2 | -50.9 | 0 | 0 | 0 | 111.8 | L69 C72 F73 V76 F103 S109 S110 E111 W149 | L69-F107 HydrophobicContact CD2-CB 4Å; L69-F107 HydrophobicContact CD2-CD1 4.41Å; L69-F107 HydrophobicContact CG-CB 4.32Å; L69-F107 HydrophobicContact CG-CD1 3.89Å; C72-F107 HydrophobicContact CB-CD1 4.47Å; C72-F107 HydrophobicContact CB-CE1 3.54Å; C72-F107 HydrophobicContact CB-CE2 4.15Å; C72-F107 HydrophobicContact CB-CZ 3.37Å; F73-F107 HydrophobicContact CB-CB 4.02Å; F73-F107 HydrophobicContact CB-CD2 3.84Å; F73-F107 HydrophobicContact CB-CG 3.97Å; F73-F107 HydrophobicContact CD2-CB 3.64Å; F73-F107 AromaticContact CD2-CD2 3.85Å; F73-F107 HydrophobicContact CD2-CD2 3.85Å; F73-F107 HydrophobicContact CD2-CG 4.14Å; F73-F107 HydrophobicContact CG-CB 4.23Å; F73-F107 HydrophobicContact CG-CD2 4.35Å; V76-F107 HydrophobicContact CG2-CE2 4.05Å; F103-F107 HydrophobicContact CB-CD2 4.03Å; F103-F107 HydrophobicContact CB-CE2 3.77Å; F103-F107 HydrophobicContact CD1-CD2 4.37Å; F103-F107 AromaticContact CD1-CE2 3.55Å; F103-F107 HydrophobicContact CD1-CE2 3.55Å; F103-F107 AromaticContact CD1-CZ 3.73Å; F103-F107 HydrophobicContact CD1-CZ 3.73Å; F103-F107 HydrophobicContact CE1-CE2 4.49Å; F103-F107 HydrophobicContact CE1-CZ 4.3Å; F103-F107 AromaticContact CG-CE2 3.97Å; F103-F107 HydrophobicContact CG-CE2 3.97Å; F103-F107 WeakPolarHBondContact O-CB 3.49Å; F103-F107 WeakPolarHBondContact O-CD2 3.35Å; F103-F107 WeakPolarHBondContact O-CG 3.43Å; F103-F107 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-S109 PolarHBondContact O-N 3.02Å; F107-S110 PolarHBondContact O-N 3.24Å; F107-E111 VanDerWaalsContact O-CB 3.3Å; F107-E111 WeakPolarHBondContact O-CB 3.31Å; F107-E111 PolarHBondContact O-N 3.25Å; F107-W149 HydrophobicContact CD1-CZ3 4.32Å; F107-W149 AromaticContact CE1-CZ3 3.96Å; F107-W149 HydrophobicContact CE1-CZ3 3.96Å |
| 108 | G | 88.4 | Confident | 92 | Very high | 23 Ų | 23 | 20.1 Ų | 20.1 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F104 C112 | F104-G108 PolarHBondContact O-N 3.41Å; F104-G108 VanDerWaalsContact O-N 3.1Å; G108-C112 PolarHBondContact O-N 3.49Å; G108-C112 PolarHBondContact O-SG 3.42Å |
| 109 | S | 90.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 19.8 Ų | 19.8 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.3 | -45.8 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F105 F106 F107 E111 C112 F113 V155 | F105-S109 VanDerWaalsContact O-CB 3.28Å; F105-S109 WeakPolarHBondContact O-CB 3.38Å; F105-S109 PolarHBondContact O-N 3.48Å; F105-S109 PolarHBondContact O-OG 3.42Å; F106-S109 PolarHBondContact O-N 2.98Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-S109 PolarHBondContact O-N 3.02Å; S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.18Å; S109-C112 WeakPolarHBondContact O-CB 3.36Å; S109-C112 PolarHBondContact O-N 2.9Å; S109-F113 WeakPolarHBondContact O-CD2 3.33Å; S109-F113 PolarHBondContact O-N 2.96Å; S109-V155 VanDerWaalsContact OG-CG1 3.29Å; S109-V155 WeakPolarHBondContact OG-CG1 3.24Å |
| 110 | S | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 178.6 | -71.8 | 0 | 0 | 0 | 0 | 113 | L69 F106 F107 F113 L114 S148 W149 | L69-S110 VanDerWaalsContact CD1-CB 3.45Å; F106-S110 WeakPolarHBondContact O-CB 3.42Å; F106-S110 PolarHBondContact O-N 2.95Å; F106-S110 PolarHBondContact O-OG 3.43Å; F107-S110 PolarHBondContact O-N 3.24Å; S110-F113 PolarHBondContact O-N 3.25Å; S110-L114 WeakPolarHBondContact O-CG 3.2Å; S110-L114 PolarHBondContact O-N 3.47Å; S110-S148 WeakPolarHBondContact CA-O 3.49Å; S110-S148 WeakPolarHBondContact CB-O 3.3Å; S110-S148 PolarHBondContact OG-O 3.11Å; S110-W149 WeakPolarHBondContact OG-CA 3.38Å; S110-W149 PolarHBondContact OG-O 2.79Å |
| 111 | E | 92.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 174.6 | -177.8 | 172.2 | -179.5 | 0 | 0 | 111.6 | L66 L69 F107 S109 F113 L114 L115 F251 | L66-E111 HydrophobicContact CD1-CG 3.82Å; L69-E111 HydrophobicContact CD1-CB 4.29Å; L69-E111 HydrophobicContact CD2-CB 4.02Å; F107-E111 VanDerWaalsContact O-CB 3.3Å; F107-E111 WeakPolarHBondContact O-CB 3.31Å; F107-E111 PolarHBondContact O-N 3.25Å; S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.18Å; E111-F113 VanDerWaalsContact C-N 3.28Å; E111-F113 PolarHBondContact O-N 3.04Å; E111-L114 PolarHBondContact O-N 3.24Å; E111-L114 VanDerWaalsContact O-N 3.14Å; E111-L115 HydrophobicContact CG-CD1 4.18Å; E111-L115 HydrophobicContact CG-CG 4.4Å; E111-L115 WeakPolarHBondContact O-CG 3.48Å; E111-L115 PolarHBondContact O-N 2.81Å; E111-F251 HydrophobicContact CB-CE2 4.38Å; E111-F251 HydrophobicContact CB-CZ 4.45Å; E111-F251 VanDerWaalsContact CD-CD2 3.46Å; E111-F251 HydrophobicContact CG-CD2 4.23Å; E111-F251 HydrophobicContact CG-CE2 3.87Å; E111-F251 HydrophobicContact CG-CZ 4.23Å; E111-F251 WeakPolarHBondContact OE1-CD2 3.06Å; E111-F251 WeakPolarHBondContact OE1-CE2 3.4Å; E111-F251 WeakPolarHBondContact OE2-CE2 3.26Å |
| 112 | C | 92 | Very high | 93.4 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -51 | -48.2 | 176.4 | -70.4 | 0 | 0 | 0 | 0 | 112 | G108 S109 L115 S116 P210 F251 | G108-C112 PolarHBondContact O-N 3.49Å; G108-C112 PolarHBondContact O-SG 3.42Å; S109-C112 WeakPolarHBondContact O-CB 3.36Å; S109-C112 PolarHBondContact O-N 2.9Å; C112-L115 PolarHBondContact O-N 3.18Å; C112-S116 PolarHBondContact O-N 3.14Å; C112-S116 PolarHBondContact O-OG 3.16Å; C112-S116 VanDerWaalsContact O-OG 3.13Å; C112-P210 HydrophobicContact CB-CB 4.07Å; C112-P210 HydrophobicContact CB-CG 3.65Å; C112-F251 WeakPolarHBondContact SG-CE1 3.25Å |
| 113 | F | 94.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 15% | 0.145 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.6 | -38.4 | -179.1 | -81.8 | -92.3 | 0 | 0 | 0 | 112.5 | S109 S110 E111 L115 S116 M117 S151 F206 F209 P210 | S109-F113 WeakPolarHBondContact O-CD2 3.33Å; S109-F113 PolarHBondContact O-N 2.96Å; S110-F113 PolarHBondContact O-N 3.25Å; E111-F113 VanDerWaalsContact C-N 3.28Å; E111-F113 PolarHBondContact O-N 3.04Å; F113-L115 VanDerWaalsContact C-N 3.34Å; F113-L115 PolarHBondContact O-N 2.81Å; F113-S116 WeakPolarHBondContact O-CB 3.18Å; F113-S116 PolarHBondContact O-N 2.96Å; F113-M117 WeakPolarHBondContact O-CG 3.38Å; F113-M117 PolarHBondContact O-N 2.91Å; F113-S151 VanDerWaalsContact CD2-OG 3.22Å; F113-S151 WeakPolarHBondContact CD2-OG 3.26Å; F113-F206 HydrophobicContact CE2-CD1 4.03Å; F113-F209 AromaticContact CE1-CD1 3.86Å; F113-F209 HydrophobicContact CE1-CD1 3.86Å; F113-F209 AromaticContact CE1-CE1 3.85Å; F113-F209 HydrophobicContact CE1-CE1 3.85Å; F113-F209 AromaticContact CZ-CD1 3.86Å; F113-F209 HydrophobicContact CZ-CD1 3.86Å; F113-F209 HydrophobicContact CZ-CE1 4.27Å; F113-P210 HydrophobicContact CD2-CG 4.46Å; F113-P210 HydrophobicContact CE2-CG 4.32Å |
| 114 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 173.8 | -79 | 174.3 | 0 | 0 | 0 | 111.5 | F62 N65 L69 S110 E111 S116 M117 M118 | F62-L114 HydrophobicContact CD1-CD2 4.28Å; N65-L114 HydrophobicContact CB-CD1 4.19Å; N65-L114 HydrophobicContact CB-CD2 3.99Å; L69-L114 HydrophobicContact CB-CD1 4.48Å; L69-L114 HydrophobicContact CD1-CD1 3.85Å; S110-L114 WeakPolarHBondContact O-CG 3.2Å; S110-L114 PolarHBondContact O-N 3.47Å; E111-L114 PolarHBondContact O-N 3.24Å; E111-L114 VanDerWaalsContact O-N 3.14Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.98Å; L114-M117 PolarHBondContact O-N 3Å; L114-M117 VanDerWaalsContact O-N 3.16Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.09Å; L114-M118 PolarHBondContact O-N 3.48Å |
| 115 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -39 | 174.5 | -67.1 | 176.5 | 0 | 0 | 0 | 111.6 | L66 E111 C112 F113 M118 A119 I214 H244 V247 V248 F251 Y252 | L66-L115 HydrophobicContact CD2-CD2 4.08Å; E111-L115 HydrophobicContact CG-CD1 4.18Å; E111-L115 HydrophobicContact CG-CG 4.4Å; E111-L115 WeakPolarHBondContact O-CG 3.48Å; E111-L115 PolarHBondContact O-N 2.81Å; C112-L115 PolarHBondContact O-N 3.18Å; F113-L115 VanDerWaalsContact C-N 3.34Å; F113-L115 PolarHBondContact O-N 2.81Å; L115-M118 HydrophobicContact CD2-SD 4.48Å; L115-M118 PolarHBondContact O-N 3.29Å; L115-A119 PolarHBondContact O-N 2.9Å; L115-I214 HydrophobicContact CB-CD1 4.17Å; L115-H244 PolarHBondContact O-CE1 2.76Å; L115-H244 VanDerWaalsContact O-CE1 3.23Å; L115-H244 PolarHBondContact O-NE2 3.12Å; L115-H244 VanDerWaalsContact O-NE2 3.07Å; L115-V247 HydrophobicContact CD2-CG1 3.73Å; L115-V248 HydrophobicContact CB-CG2 4.42Å; L115-F251 HydrophobicContact CD1-CB 4.19Å; L115-F251 HydrophobicContact CD1-CD1 3.98Å; L115-F251 HydrophobicContact CD1-CG 4Å; L115-Y252 HydrophobicContact CD1-CE2 4.48Å |
| 116 | S | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 172.6 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | C112 F113 L114 M118 A119 Y120 P210 | C112-S116 PolarHBondContact O-N 3.14Å; C112-S116 PolarHBondContact O-OG 3.16Å; C112-S116 VanDerWaalsContact O-OG 3.13Å; F113-S116 WeakPolarHBondContact O-CB 3.18Å; F113-S116 PolarHBondContact O-N 2.96Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.98Å; S116-M118 VanDerWaalsContact C-N 3.31Å; S116-M118 PolarHBondContact O-N 3.42Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 2.94Å; S116-Y120 PolarHBondContact O-N 2.92Å; S116-P210 VanDerWaalsContact OG-C 3.23Å; S116-P210 WeakPolarHBondContact OG-CA 3.49Å; S116-P210 WeakPolarHBondContact OG-CB 3.46Å; S116-P210 PolarHBondContact OG-O 3Å |
| 117 | M | 96.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 16.9 Ų | 16.9 | 15% | 0.148 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.9 | -34.9 | 177.6 | -64.5 | -54.4 | 103 | 0 | 0 | 111.6 | F62 F113 L114 Y120 D121 M144 S148 | F62-M117 HydrophobicContact CD1-CB 4.19Å; F62-M117 HydrophobicContact CE1-CB 3.92Å; F62-M117 HydrophobicContact CZ-CB 4.16Å; F113-M117 WeakPolarHBondContact O-CG 3.38Å; F113-M117 PolarHBondContact O-N 2.91Å; L114-M117 PolarHBondContact O-N 3Å; L114-M117 VanDerWaalsContact O-N 3.16Å; M117-Y120 WeakPolarHBondContact O-CB 3.34Å; M117-Y120 PolarHBondContact O-N 3.39Å; M117-D121 PolarHBondContact O-N 3.14Å; M117-M144 HydrophobicContact CG-CB 3.98Å; M117-M144 HydrophobicContact CG-CG 4.39Å; M117-M144 HydrophobicContact SD-CB 3.89Å; M117-M144 HydrophobicContact SD-CE 4.33Å; M117-M144 HydrophobicContact SD-CG 3.65Å; M117-M144 HydrophobicContact SD-SD 3.92Å; M117-S148 WeakPolarHBondContact CG-OG 3.31Å |
| 118 | M | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 171.2 | -69 | 173.5 | 74.5 | 0 | 0 | 111.9 | M59 F62 L63 L66 L114 L115 S116 Y120 D121 R122 H244 Y290 | M59-M118 HydrophobicContact CE-CE 3.35Å; M59-M118 HydrophobicContact SD-CB 4.32Å; M59-M118 HydrophobicContact SD-CE 4.04Å; M59-M118 HydrophobicContact SD-CG 4.46Å; F62-M118 HydrophobicContact CB-CG 3.48Å; F62-M118 VanDerWaalsContact CB-CG 3.48Å; F62-M118 HydrophobicContact CB-SD 4.21Å; F62-M118 HydrophobicContact CG-CG 4.23Å; L63-M118 HydrophobicContact CB-CE 4.33Å; L63-M118 HydrophobicContact CD1-CE 4.34Å; L66-M118 HydrophobicContact CD2-SD 4.06Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.09Å; L114-M118 PolarHBondContact O-N 3.48Å; L115-M118 HydrophobicContact CD2-SD 4.48Å; L115-M118 PolarHBondContact O-N 3.29Å; S116-M118 VanDerWaalsContact C-N 3.31Å; S116-M118 PolarHBondContact O-N 3.42Å; M118-Y120 VanDerWaalsContact C-N 3.32Å; M118-Y120 PolarHBondContact O-N 3.16Å; M118-D121 PolarHBondContact O-N 3.43Å; M118-R122 WeakPolarHBondContact O-CG 3.2Å; M118-R122 PolarHBondContact O-N 3.47Å; M118-R122 VanDerWaalsContact O-N 3.12Å; M118-H244 WeakPolarHBondContact CB-NE2 3.19Å; M118-Y290 HydrophobicContact CE-CE1 4.03Å; M118-Y290 VanDerWaalsContact CE-OH 3.27Å; M118-Y290 WeakPolarHBondContact CE-OH 3.35Å |
| 119 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L115 S116 R122 F123 I214 Y218 | L115-A119 PolarHBondContact O-N 2.9Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 2.94Å; A119-R122 PolarHBondContact O-N 3.28Å; A119-F123 WeakPolarHBondContact O-CB 3.28Å; A119-F123 PolarHBondContact O-N 3.22Å; A119-I214 HydrophobicContact CB-CB 4.29Å; A119-I214 HydrophobicContact CB-CG1 3.94Å; A119-I214 HydrophobicContact CB-CG2 4.24Å; A119-Y218 HydrophobicContact CB-CD2 4.31Å; A119-Y218 HydrophobicContact CB-CE2 3.89Å |
| 120 | Y | 96.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 29.9 Ų | 29.9 | 31% | 0.31 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 177 | -176.4 | -99 | 0 | 0 | 0 | 111.9 | S116 M117 M118 R122 F123 V124 M136 M144 | S116-Y120 PolarHBondContact O-N 2.92Å; M117-Y120 WeakPolarHBondContact O-CB 3.34Å; M117-Y120 PolarHBondContact O-N 3.39Å; M118-Y120 VanDerWaalsContact C-N 3.32Å; M118-Y120 PolarHBondContact O-N 3.16Å; Y120-R122 VanDerWaalsContact C-N 3.33Å; Y120-R122 PolarHBondContact O-N 3.17Å; Y120-F123 HydrophobicContact CD2-CD1 4.19Å; Y120-F123 HydrophobicContact CE2-CD1 4.15Å; Y120-F123 HydrophobicContact CE2-CE1 4.44Å; Y120-F123 WeakPolarHBondContact O-CB 3.26Å; Y120-F123 PolarHBondContact O-N 2.92Å; Y120-F123 VanDerWaalsContact O-N 3.14Å; Y120-V124 HydrophobicContact CD1-CG2 4.08Å; Y120-V124 HydrophobicContact CE1-CG2 3.59Å; Y120-V124 HydrophobicContact CE2-CG2 4.2Å; Y120-V124 WeakPolarHBondContact O-CG2 3.44Å; Y120-V124 PolarHBondContact O-N 3.49Å; Y120-M136 HydrophobicContact CD1-SD 4Å; Y120-M136 HydrophobicContact CE1-SD 3.91Å; Y120-M144 HydrophobicContact CD1-CE 3.55Å; Y120-M144 HydrophobicContact CD1-SD 4.33Å; Y120-M144 HydrophobicContact CE1-CE 3.51Å |
| 121 | D | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.1 | -50.9 | 172 | 170.3 | 79.9 | 0 | 0 | 0 | 111.4 | P58 M59 M117 M118 F123 V124 A125 Y132 M136 | P58-D121 WeakPolarHBondContact CB-OD1 3.4Å; M59-D121 WeakPolarHBondContact CB-OD2 3.46Å; M117-D121 PolarHBondContact O-N 3.14Å; M118-D121 PolarHBondContact O-N 3.43Å; D121-F123 VanDerWaalsContact C-N 3.28Å; D121-F123 PolarHBondContact O-N 2.87Å; D121-V124 PolarHBondContact O-N 3.16Å; D121-A125 WeakPolarHBondContact O-CB 3.35Å; D121-A125 PolarHBondContact O-N 3.17Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.49Å; D121-Y132 PolarHBondContact OD1-OH 2.98Å; D121-M136 HydrophobicContact CB-CE 3.83Å |
| 122 | R | 95.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 178.4 | -65.6 | -46.5 | -167.2 | -172.4 | 8.3 | 112.3 | M59 M118 A119 Y120 A125 I126 I221 T240 | M59-R122 HydrophobicContact SD-CG 4.43Å; M59-R122 PolarHBondContact SD-NE 3.39Å; M59-R122 VanDerWaalsContact SD-NE 3.42Å; M118-R122 WeakPolarHBondContact O-CG 3.2Å; M118-R122 PolarHBondContact O-N 3.47Å; M118-R122 VanDerWaalsContact O-N 3.12Å; A119-R122 PolarHBondContact O-N 3.28Å; Y120-R122 VanDerWaalsContact C-N 3.33Å; Y120-R122 PolarHBondContact O-N 3.17Å; R122-A125 PolarHBondContact O-N 3.47Å; R122-I126 WeakPolarHBondContact O-CB 3.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.17Å; R122-I126 PolarHBondContact O-N 2.87Å; R122-I221 HydrophobicContact CB-CD1 3.99Å; R122-T240 PolarHBondContact NH2-O 3.35Å |
| 123 | F | 96.1 | Very high | 94.7 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -51.1 | 175.1 | 163 | -100.5 | 0 | 0 | 0 | 111.2 | A119 Y120 D121 A125 I126 C127 R220 I221 | A119-F123 WeakPolarHBondContact O-CB 3.28Å; A119-F123 PolarHBondContact O-N 3.22Å; Y120-F123 HydrophobicContact CD2-CD1 4.19Å; Y120-F123 HydrophobicContact CE2-CD1 4.15Å; Y120-F123 HydrophobicContact CE2-CE1 4.44Å; Y120-F123 WeakPolarHBondContact O-CB 3.26Å; Y120-F123 PolarHBondContact O-N 2.92Å; Y120-F123 VanDerWaalsContact O-N 3.14Å; D121-F123 VanDerWaalsContact C-N 3.28Å; D121-F123 PolarHBondContact O-N 2.87Å; F123-A125 VanDerWaalsContact C-N 3.34Å; F123-A125 PolarHBondContact O-N 2.8Å; F123-I126 PolarHBondContact O-N 3.22Å; F123-C127 HydrophobicContact CD2-CB 3.92Å; F123-C127 VanDerWaalsContact CD2-SG 3.5Å; F123-C127 HydrophobicContact CE2-CB 3.67Å; F123-C127 HydrophobicContact CZ-CB 4.25Å; F123-C127 WeakPolarHBondContact O-CB 3.43Å; F123-C127 PolarHBondContact O-N 3.45Å; F123-R220 HydrophobicContact CD2-CB 3.83Å; F123-R220 HydrophobicContact CE2-CB 3.64Å; F123-R220 HydrophobicContact CE2-CG 4.13Å; F123-I221 HydrophobicContact CB-CD1 4.11Å; F123-I221 HydrophobicContact CB-CG1 4.17Å; F123-I221 HydrophobicContact CD2-CG1 4.49Å |
| 124 | V | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | Y120 D121 I126 N128 Y132 I135 M136 | Y120-V124 HydrophobicContact CD1-CG2 4.08Å; Y120-V124 HydrophobicContact CE1-CG2 3.59Å; Y120-V124 HydrophobicContact CE2-CG2 4.2Å; Y120-V124 WeakPolarHBondContact O-CG2 3.44Å; Y120-V124 PolarHBondContact O-N 3.49Å; D121-V124 PolarHBondContact O-N 3.16Å; V124-I126 VanDerWaalsContact C-N 3.33Å; V124-I126 PolarHBondContact O-N 2.89Å; V124-N128 HydrophobicContact CG1-CB 4.42Å; V124-N128 CarbonylContact O-C 3.6Å; V124-N128 WeakPolarHBondContact O-CA 3.41Å; V124-N128 PolarHBondContact O-N 3.03Å; V124-Y132 HydrophobicContact CB-CD2 4.23Å; V124-Y132 HydrophobicContact CG1-CD2 3.95Å; V124-I135 HydrophobicContact CG1-CB 3.92Å; V124-I135 HydrophobicContact CG1-CD1 3.8Å; V124-I135 HydrophobicContact CG1-CG1 4.47Å; V124-I135 HydrophobicContact CG1-CG2 3.86Å; V124-I135 HydrophobicContact CG2-CG2 4.09Å; V124-M136 HydrophobicContact CB-CG 4.18Å; V124-M136 HydrophobicContact CG1-CG 4.15Å; V124-M136 HydrophobicContact CG2-SD 4.38Å |
| 125 | A | 94.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D121 R122 F123 Y132 | D121-A125 WeakPolarHBondContact O-CB 3.35Å; D121-A125 PolarHBondContact O-N 3.17Å; R122-A125 PolarHBondContact O-N 3.47Å; F123-A125 VanDerWaalsContact C-N 3.34Å; F123-A125 PolarHBondContact O-N 2.8Å; A125-Y132 VanDerWaalsContact CA-CD2 3.49Å; A125-Y132 HydrophobicContact CB-CD2 3.78Å; A125-Y132 HydrophobicContact CB-CE2 3.7Å |
| 126 | I | 93.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -93 | -44 | -175.5 | -65 | 171.5 | 0 | 0 | 0 | 111.9 | R122 F123 V124 I221 T224 I225 M228 A237 C241 | R122-I126 WeakPolarHBondContact O-CB 3.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.17Å; R122-I126 PolarHBondContact O-N 2.87Å; F123-I126 PolarHBondContact O-N 3.22Å; V124-I126 VanDerWaalsContact C-N 3.33Å; V124-I126 PolarHBondContact O-N 2.89Å; I126-I221 HydrophobicContact CD1-CG2 3.74Å; I126-I221 HydrophobicContact CG2-CG2 4.29Å; I126-T224 HydrophobicContact CG2-CG2 4.18Å; I126-I225 HydrophobicContact CG2-CG1 4.15Å; I126-M228 HydrophobicContact CG2-CE 3.86Å; I126-A237 HydrophobicContact CD1-CB 4.49Å; I126-C241 WeakPolarHBondContact CD1-SG 3.45Å |
| 127 | C | 93.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -83.6 | -25.4 | -175.2 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | F123 T224 | F123-C127 HydrophobicContact CD2-CB 3.92Å; F123-C127 VanDerWaalsContact CD2-SG 3.5Å; F123-C127 HydrophobicContact CE2-CB 3.67Å; F123-C127 HydrophobicContact CZ-CB 4.25Å; F123-C127 WeakPolarHBondContact O-CB 3.43Å; F123-C127 PolarHBondContact O-N 3.45Å; C127-T224 PolarHBondContact SG-OG1 3.31Å |
| 128 | N | 93 | Very high | 94.6 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 35% | 0.353 | 31% | 0.311 | S | S | . | . | trans | -135.3 | 54 | -178 | -64.6 | -70.3 | 0 | 0 | 0 | 112.8 | V124 L130 R131 Y132 | V124-N128 HydrophobicContact CG1-CB 4.42Å; V124-N128 CarbonylContact O-C 3.6Å; V124-N128 WeakPolarHBondContact O-CA 3.41Å; V124-N128 PolarHBondContact O-N 3.03Å; N128-L130 VanDerWaalsContact C-N 3.31Å; N128-L130 PolarHBondContact O-N 3.28Å; N128-R131 PolarHBondContact O-N 3.11Å; N128-Y132 PolarHBondContact O-N 2.93Å; N128-Y132 VanDerWaalsContact O-N 3.16Å | ||
| 129 | P | 90.9 | Very high | 94.6 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -58.3 | -38.1 | -170 | 22.7 | -33.8 | 0 | 0 | 0 | 113.6 | R131 Y132 | P129-R131 VanDerWaalsContact C-N 3.27Å; P129-R131 PolarHBondContact O-N 2.9Å; P129-Y132 WeakPolarHBondContact O-CB 3.17Å; P129-Y132 PolarHBondContact O-N 3.24Å |
| 130 | L | 93.8 | Very high | 94.6 | Very high | 169 Ų | 169 | 69 Ų | 69 | 89% | 0.885 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -68.4 | -23.7 | -179.4 | -61.2 | 178.5 | 0 | 0 | 0 | 113.6 | N128 | N128-L130 VanDerWaalsContact C-N 3.31Å; N128-L130 PolarHBondContact O-N 3.28Å |
| 131 | R | 93.6 | Very high | 94.6 | Very high | 177 Ų | 177 | 65.6 Ų | 65.6 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -104.7 | 1.6 | -179.9 | -64.7 | -172 | 176.5 | -156.4 | -0.4 | 112.7 | N128 P129 S133 V134 I135 | N128-R131 PolarHBondContact O-N 3.11Å; P129-R131 VanDerWaalsContact C-N 3.27Å; P129-R131 PolarHBondContact O-N 2.9Å; R131-S133 PolarHBondContact O-N 3.23Å; R131-V134 PolarHBondContact O-N 2.76Å; R131-I135 HydrophobicContact CB-CD1 3.69Å; R131-I135 HydrophobicContact CB-CG1 4.21Å; R131-I135 WeakPolarHBondContact O-CG1 3.47Å; R131-I135 PolarHBondContact O-N 2.97Å |
| 132 | Y | 94.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.5 | -49.9 | -172.6 | 175.5 | -104.8 | 0 | 0 | 0 | 112.8 | P58 D121 V124 A125 N128 P129 V134 I135 M136 | P58-Y132 WeakPolarHBondContact CD-OH 3.21Å; P58-Y132 HydrophobicContact CG-CE1 4.47Å; P58-Y132 WeakPolarHBondContact CG-OH 3.34Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.49Å; D121-Y132 PolarHBondContact OD1-OH 2.98Å; V124-Y132 HydrophobicContact CB-CD2 4.23Å; V124-Y132 HydrophobicContact CG1-CD2 3.95Å; A125-Y132 VanDerWaalsContact CA-CD2 3.49Å; A125-Y132 HydrophobicContact CB-CD2 3.78Å; A125-Y132 HydrophobicContact CB-CE2 3.7Å; N128-Y132 PolarHBondContact O-N 2.93Å; N128-Y132 VanDerWaalsContact O-N 3.16Å; P129-Y132 WeakPolarHBondContact O-CB 3.17Å; P129-Y132 PolarHBondContact O-N 3.24Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.3Å; Y132-I135 PolarHBondContact O-N 3.34Å; Y132-M136 HydrophobicContact CD2-CB 4.25Å; Y132-M136 HydrophobicContact CD2-CG 3.87Å; Y132-M136 HydrophobicContact CE2-CB 3.92Å; Y132-M136 HydrophobicContact CE2-CG 3.58Å; Y132-M136 WeakPolarHBondContact O-CB 3.44Å; Y132-M136 PolarHBondContact O-N 3.49Å |
| 133 | S | 91.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.2 | -28.9 | -177.9 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | R131 | R131-S133 PolarHBondContact O-N 3.23Å |
| 134 | V | 94.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 70.7 Ų | 70.7 | 66% | 0.661 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -79.2 | -42.9 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | R131 Y132 N137 | R131-V134 PolarHBondContact O-N 2.76Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.3Å; V134-N137 PolarHBondContact O-ND2 2.86Å |
| 135 | I | 94.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.2 | -58.4 | 179.1 | -64.3 | 167.7 | 0 | 0 | 0 | 109.9 | V124 R131 Y132 N137 L140 | V124-I135 HydrophobicContact CG1-CB 3.92Å; V124-I135 HydrophobicContact CG1-CD1 3.8Å; V124-I135 HydrophobicContact CG1-CG1 4.47Å; V124-I135 HydrophobicContact CG1-CG2 3.86Å; V124-I135 HydrophobicContact CG2-CG2 4.09Å; R131-I135 HydrophobicContact CB-CD1 3.69Å; R131-I135 HydrophobicContact CB-CG1 4.21Å; R131-I135 WeakPolarHBondContact O-CG1 3.47Å; R131-I135 PolarHBondContact O-N 2.97Å; Y132-I135 PolarHBondContact O-N 3.34Å; I135-N137 PolarHBondContact O-N 3.4Å; I135-L140 HydrophobicContact CG2-CD2 4.41Å; I135-L140 WeakPolarHBondContact O-CD2 3.02Å |
| 136 | M | 96.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 74.5 Ų | 74.5 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 51.5 | -178.8 | -61.8 | -59.4 | -66.9 | 0 | 0 | 111.5 | P58 F62 Y120 D121 V124 Y132 M144 | P58-M136 HydrophobicContact CB-CB 4.26Å; P58-M136 HydrophobicContact CB-CE 4.02Å; P58-M136 HydrophobicContact CG-CB 3.92Å; F62-M136 HydrophobicContact CE2-CE 3.73Å; F62-M136 HydrophobicContact CZ-CE 4.34Å; Y120-M136 HydrophobicContact CD1-SD 4Å; Y120-M136 HydrophobicContact CE1-SD 3.91Å; D121-M136 HydrophobicContact CB-CE 3.83Å; V124-M136 HydrophobicContact CB-CG 4.18Å; V124-M136 HydrophobicContact CG1-CG 4.15Å; V124-M136 HydrophobicContact CG2-SD 4.38Å; Y132-M136 HydrophobicContact CD2-CB 4.25Å; Y132-M136 HydrophobicContact CD2-CG 3.87Å; Y132-M136 HydrophobicContact CE2-CB 3.92Å; Y132-M136 HydrophobicContact CE2-CG 3.58Å; Y132-M136 WeakPolarHBondContact O-CB 3.44Å; Y132-M136 PolarHBondContact O-N 3.49Å; M136-M144 HydrophobicContact CE-SD 4.38Å |
| 137 | N | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 35% | 0.353 | 41% | 0.406 | S | S | . | . | trans | -75.4 | 165.6 | 174 | 68.6 | 63.4 | 0 | 0 | 0 | 111.2 | V134 I135 S139 L140 C141 | V134-N137 PolarHBondContact O-ND2 2.86Å; I135-N137 PolarHBondContact O-N 3.4Å; N137-S139 VanDerWaalsContact C-N 3.31Å; N137-S139 PolarHBondContact O-N 3.11Å; N137-S139 WeakPolarHBondContact OD1-CB 3.19Å; N137-S139 PolarHBondContact OD1-N 3.33Å; N137-L140 PolarHBondContact O-N 2.98Å; N137-L140 PolarHBondContact OD1-N 3.38Å; N137-C141 PolarHBondContact O-N 3.05Å; N137-C141 PolarHBondContact O-SG 3.36Å | ||
| 138 | R | 93.7 | Very high | 95.2 | Very high | 211 Ų | 211 | 74.3 Ų | 74.3 | 80% | 0.796 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.5 | -38.4 | -175.6 | -171.9 | 174.5 | -179.3 | 178.5 | -0.6 | 113.2 | C141 L142 | R138-C141 PolarHBondContact O-N 3.2Å; R138-L142 HydrophobicContact CG-CD1 4.09Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 VanDerWaalsContact O-CG 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.3Å; R138-L142 PolarHBondContact O-N 3.25Å |
| 139 | S | 96 | Very high | 95.3 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 56% | 0.559 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | -179.8 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | N137 C141 L142 C143 | N137-S139 VanDerWaalsContact C-N 3.31Å; N137-S139 PolarHBondContact O-N 3.11Å; N137-S139 WeakPolarHBondContact OD1-CB 3.19Å; N137-S139 PolarHBondContact OD1-N 3.33Å; S139-C141 PolarHBondContact O-N 3.1Å; S139-L142 PolarHBondContact O-N 3.04Å; S139-C143 PolarHBondContact O-N 3.17Å; S139-C143 PolarHBondContact O-SG 3.12Å |
| 140 | L | 96.2 | Very high | 95.5 | Very high | 57 Ų | 57 | 75.1 Ų | 75.1 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178 | -175.4 | 62.2 | 0 | 0 | 0 | 111.4 | I135 N137 L142 C143 M144 | I135-L140 HydrophobicContact CG2-CD2 4.41Å; I135-L140 WeakPolarHBondContact O-CD2 3.02Å; N137-L140 PolarHBondContact O-N 2.98Å; N137-L140 PolarHBondContact OD1-N 3.38Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.41Å; L140-C143 PolarHBondContact O-N 3.24Å; L140-M144 HydrophobicContact CD1-CE 3.86Å; L140-M144 HydrophobicContact CD1-CG 4.38Å; L140-M144 HydrophobicContact CD2-CE 3.67Å; L140-M144 HydrophobicContact CD2-SD 4.48Å; L140-M144 HydrophobicContact CG-CE 3.64Å; L140-M144 HydrophobicContact CG-CG 4.36Å; L140-M144 HydrophobicContact CG-SD 4.03Å; L140-M144 WeakPolarHBondContact O-CB 3.4Å; L140-M144 VanDerWaalsContact O-CG 3.31Å; L140-M144 WeakPolarHBondContact O-CG 3.38Å; L140-M144 PolarHBondContact O-N 2.89Å |
| 141 | C | 96.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 68 Ų | 68 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | F61 F62 N137 R138 S139 M144 A145 | F61-C141 HydrophobicContact CD1-CB 4.01Å; F61-C141 HydrophobicContact CE1-CB 4.03Å; F61-C141 WeakPolarHBondContact CE1-O 3.45Å; F62-C141 HydrophobicContact CZ-CB 4.27Å; N137-C141 PolarHBondContact O-N 3.05Å; N137-C141 PolarHBondContact O-SG 3.36Å; R138-C141 PolarHBondContact O-N 3.2Å; S139-C141 PolarHBondContact O-N 3.1Å; C141-M144 PolarHBondContact O-N 3.34Å; C141-A145 WeakPolarHBondContact O-CB 3.34Å; C141-A145 PolarHBondContact O-N 3.33Å |
| 142 | L | 96.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.6 | -74 | 168 | 0 | 0 | 0 | 111.6 | F61 R138 S139 L140 M144 A145 I146 | F61-L142 HydrophobicContact CE2-CD2 4.24Å; F61-L142 HydrophobicContact CZ-CD2 3.92Å; R138-L142 HydrophobicContact CG-CD1 4.09Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 VanDerWaalsContact O-CG 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.3Å; R138-L142 PolarHBondContact O-N 3.25Å; S139-L142 PolarHBondContact O-N 3.04Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.41Å; L142-M144 VanDerWaalsContact C-N 3.33Å; L142-M144 PolarHBondContact O-N 2.74Å; L142-A145 PolarHBondContact O-N 2.89Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.22Å; L142-I146 PolarHBondContact O-N 2.7Å |
| 143 | C | 97.7 | Very high | 95.2 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 53% | 0.527 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 112 | S139 L140 I146 G147 | S139-C143 PolarHBondContact O-N 3.17Å; S139-C143 PolarHBondContact O-SG 3.12Å; L140-C143 PolarHBondContact O-N 3.24Å; C143-I146 PolarHBondContact O-N 3.41Å; C143-G147 PolarHBondContact O-N 3.12Å |
| 144 | M | 97.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 58 Ų | 58 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.3 | -75.3 | 176.6 | 171.9 | 0 | 0 | 112 | F62 M117 Y120 M136 L140 C141 L142 S148 | F62-M144 HydrophobicContact CE1-CB 3.77Å; F62-M144 HydrophobicContact CZ-CB 3.8Å; F62-M144 HydrophobicContact CZ-SD 3.92Å; M117-M144 HydrophobicContact CG-CB 3.98Å; M117-M144 HydrophobicContact CG-CG 4.39Å; M117-M144 HydrophobicContact SD-CB 3.89Å; M117-M144 HydrophobicContact SD-CE 4.33Å; M117-M144 HydrophobicContact SD-CG 3.65Å; M117-M144 HydrophobicContact SD-SD 3.92Å; Y120-M144 HydrophobicContact CD1-CE 3.55Å; Y120-M144 HydrophobicContact CD1-SD 4.33Å; Y120-M144 HydrophobicContact CE1-CE 3.51Å; M136-M144 HydrophobicContact CE-SD 4.38Å; L140-M144 HydrophobicContact CD1-CE 3.86Å; L140-M144 HydrophobicContact CD1-CG 4.38Å; L140-M144 HydrophobicContact CD2-CE 3.67Å; L140-M144 HydrophobicContact CD2-SD 4.48Å; L140-M144 HydrophobicContact CG-CE 3.64Å; L140-M144 HydrophobicContact CG-CG 4.36Å; L140-M144 HydrophobicContact CG-SD 4.03Å; L140-M144 WeakPolarHBondContact O-CB 3.4Å; L140-M144 VanDerWaalsContact O-CG 3.31Å; L140-M144 WeakPolarHBondContact O-CG 3.38Å; L140-M144 PolarHBondContact O-N 2.89Å; C141-M144 PolarHBondContact O-N 3.34Å; L142-M144 VanDerWaalsContact C-N 3.33Å; L142-M144 PolarHBondContact O-N 2.74Å; M144-S148 WeakPolarHBondContact O-CB 3.38Å; M144-S148 PolarHBondContact O-N 3.37Å; M144-S148 PolarHBondContact O-OG 3.01Å |
| 145 | A | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F61 F62 C141 L142 G147 S148 W149 | F61-A145 HydrophobicContact CE1-CB 3.66Å; F61-A145 HydrophobicContact CZ-CB 3.88Å; F62-A145 HydrophobicContact CE1-CB 4.43Å; C141-A145 WeakPolarHBondContact O-CB 3.34Å; C141-A145 PolarHBondContact O-N 3.33Å; L142-A145 PolarHBondContact O-N 2.89Å; A145-G147 VanDerWaalsContact C-N 3.33Å; A145-G147 PolarHBondContact O-N 3.37Å; A145-S148 PolarHBondContact O-N 3.48Å; A145-S148 VanDerWaalsContact O-N 3.15Å; A145-W149 VanDerWaalsContact O-CD1 3.24Å; A145-W149 PolarHBondContact O-N 3.34Å |
| 146 | I | 97.4 | Very high | 94.6 | Very high | 106 Ų | 106 | 51 Ų | 51 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 177.5 | -66.6 | 167 | 0 | 0 | 0 | 110.2 | L142 C143 S148 W149 M150 | L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.22Å; L142-I146 PolarHBondContact O-N 2.7Å; C143-I146 PolarHBondContact O-N 3.41Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å; I146-W149 PolarHBondContact O-N 3.02Å; I146-M150 HydrophobicContact CG2-CG 4.1Å; I146-M150 WeakPolarHBondContact O-CB 3.43Å; I146-M150 VanDerWaalsContact O-CG 3.27Å; I146-M150 WeakPolarHBondContact O-CG 3.43Å; I146-M150 PolarHBondContact O-N 3.2Å |
| 147 | G | 96.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 56 Ų | 56 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C143 A145 M150 S151 | C143-G147 PolarHBondContact O-N 3.12Å; A145-G147 VanDerWaalsContact C-N 3.33Å; A145-G147 PolarHBondContact O-N 3.37Å; G147-M150 PolarHBondContact O-N 3.17Å; G147-S151 WeakPolarHBondContact O-CB 3.4Å; G147-S151 PolarHBondContact O-N 2.94Å |
| 148 | S | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | S110 M117 M144 A145 I146 S151 | S110-S148 WeakPolarHBondContact CA-O 3.49Å; S110-S148 WeakPolarHBondContact CB-O 3.3Å; S110-S148 PolarHBondContact OG-O 3.11Å; M117-S148 WeakPolarHBondContact CG-OG 3.31Å; M144-S148 WeakPolarHBondContact O-CB 3.38Å; M144-S148 PolarHBondContact O-N 3.37Å; M144-S148 PolarHBondContact O-OG 3.01Å; A145-S148 PolarHBondContact O-N 3.48Å; A145-S148 VanDerWaalsContact O-N 3.15Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å; S148-S151 PolarHBondContact O-OG 3.03Å |
| 149 | W | 95.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 174.2 | -82.6 | 100.4 | 0 | 0 | 0 | 112.3 | N65 L68 L69 F106 F107 S110 A145 I146 | N65-W149 PolarHBondContact OD1-NE1 2.9Å; N65-W149 VanDerWaalsContact OD1-NE1 3.08Å; L68-W149 HydrophobicContact CB-CZ2 4.35Å; L69-W149 HydrophobicContact CB-CH2 3.83Å; L69-W149 HydrophobicContact CB-CZ2 3.93Å; L69-W149 HydrophobicContact CG-CH2 4.35Å; F106-W149 AromaticContact CE1-CE3 3.87Å; F106-W149 HydrophobicContact CE1-CE3 3.87Å; F106-W149 AromaticContact CE1-CZ3 3.98Å; F106-W149 HydrophobicContact CE1-CZ3 3.98Å; F106-W149 WeakPolarHBondContact CE2-O 3.21Å; F106-W149 AromaticContact CZ-CE3 3.93Å; F106-W149 HydrophobicContact CZ-CE3 3.93Å; F106-W149 HydrophobicContact CZ-CZ3 4.47Å; F106-W149 VanDerWaalsContact CZ-O 3.27Å; F106-W149 WeakPolarHBondContact CZ-O 3.31Å; F107-W149 HydrophobicContact CD1-CZ3 4.32Å; F107-W149 AromaticContact CE1-CZ3 3.96Å; F107-W149 HydrophobicContact CE1-CZ3 3.96Å; S110-W149 WeakPolarHBondContact OG-CA 3.38Å; S110-W149 PolarHBondContact OG-O 2.79Å; A145-W149 VanDerWaalsContact O-CD1 3.24Å; A145-W149 PolarHBondContact O-N 3.34Å; I146-W149 PolarHBondContact O-N 3.02Å |
| 150 | M | 95.4 | Very high | 93.4 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -80.9 | -19 | -177.8 | -65.9 | -55.7 | -63.2 | 0 | 0 | 113.3 | I146 G147 G152 V153 | I146-M150 HydrophobicContact CG2-CG 4.1Å; I146-M150 WeakPolarHBondContact O-CB 3.43Å; I146-M150 VanDerWaalsContact O-CG 3.27Å; I146-M150 WeakPolarHBondContact O-CG 3.43Å; I146-M150 PolarHBondContact O-N 3.2Å; G147-M150 PolarHBondContact O-N 3.17Å; M150-G152 PolarHBondContact O-N 3.29Å; M150-V153 HydrophobicContact CE-CG2 3.85Å; M150-V153 PolarHBondContact O-N 3.02Å; M150-V153 VanDerWaalsContact O-N 3.11Å; M150-V153 HydrophobicContact SD-CG2 4.32Å |
| 151 | S | 92.3 | Very high | 93 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -28.7 | -179.2 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | F113 G147 S148 V153 P154 F206 | F113-S151 VanDerWaalsContact CD2-OG 3.22Å; F113-S151 WeakPolarHBondContact CD2-OG 3.26Å; G147-S151 WeakPolarHBondContact O-CB 3.4Å; G147-S151 PolarHBondContact O-N 2.94Å; S148-S151 PolarHBondContact O-OG 3.03Å; S151-V153 VanDerWaalsContact C-N 3.34Å; S151-P154 WeakPolarHBondContact O-CD 3.45Å; S151-F206 WeakPolarHBondContact O-CE1 3.39Å |
| 152 | G | 89.6 | Confident | 92.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.9 | -20.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M150 V155 S156 | M150-G152 PolarHBondContact O-N 3.29Å; G152-V155 VanDerWaalsContact O-CG1 3.31Å; G152-V155 WeakPolarHBondContact O-CG1 3.02Å; G152-S156 WeakPolarHBondContact O-CB 3.22Å; G152-S156 PolarHBondContact O-N 2.83Å; G152-S156 VanDerWaalsContact O-N 3.07Å; G152-S156 PolarHBondContact O-OG 3.39Å |
| 153 | V | 93.8 | Very high | 92 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -52.4 | -172.9 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | F106 M150 S151 V155 S156 M157 | F106-V153 HydrophobicContact CD2-CG2 4.11Å; F106-V153 HydrophobicContact CE2-CG2 3.68Å; M150-V153 HydrophobicContact CE-CG2 3.85Å; M150-V153 PolarHBondContact O-N 3.02Å; M150-V153 VanDerWaalsContact O-N 3.11Å; M150-V153 HydrophobicContact SD-CG2 4.32Å; S151-V153 VanDerWaalsContact C-N 3.34Å; V153-V155 PolarHBondContact O-N 3.1Å; V153-S156 PolarHBondContact O-N 3.37Å; V153-M157 HydrophobicContact CG1-CG 4.07Å; V153-M157 HydrophobicContact CG1-SD 3.56Å; V153-M157 VanDerWaalsContact CG1-SD 3.56Å; V153-M157 WeakPolarHBondContact O-CB 2.95Å; V153-M157 VanDerWaalsContact O-CG 3.31Å; V153-M157 WeakPolarHBondContact O-CG 3.15Å; V153-M157 PolarHBondContact O-N 3.27Å |
| 154 | P | 90.5 | Very high | 91.4 | Very high | 79 Ų | 79 | 42.6 Ų | 42.6 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | -172.5 | -21.2 | 34 | 0 | 0 | 0 | 112.5 | S151 L158 | S151-P154 WeakPolarHBondContact O-CD 3.45Å; P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.26Å |
| 155 | V | 87.2 | Confident | 90.8 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 179.6 | 59.6 | 0 | 0 | 0 | 0 | 111 | S109 G152 V153 L158 Q159 F206 | S109-V155 VanDerWaalsContact OG-CG1 3.29Å; S109-V155 WeakPolarHBondContact OG-CG1 3.24Å; G152-V155 VanDerWaalsContact O-CG1 3.31Å; G152-V155 WeakPolarHBondContact O-CG1 3.02Å; V153-V155 PolarHBondContact O-N 3.1Å; V155-L158 PolarHBondContact O-N 2.91Å; V155-Q159 HydrophobicContact CG2-CG 3.99Å; V155-Q159 VanDerWaalsContact O-CB 3.26Å; V155-Q159 WeakPolarHBondContact O-CB 3.37Å; V155-Q159 WeakPolarHBondContact O-CG 3.28Å; V155-Q159 PolarHBondContact O-N 3.43Å; V155-F206 HydrophobicContact CB-CD1 4.5Å; V155-F206 HydrophobicContact CB-CD2 4.18Å; V155-F206 HydrophobicContact CB-CE1 4.25Å; V155-F206 HydrophobicContact CB-CE2 3.9Å; V155-F206 HydrophobicContact CB-CG 4.48Å; V155-F206 HydrophobicContact CB-CZ 3.94Å; V155-F206 HydrophobicContact CG1-CD1 4.12Å; V155-F206 HydrophobicContact CG1-CE1 4.02Å; V155-F206 HydrophobicContact CG1-CG 4.43Å; V155-F206 HydrophobicContact CG1-CZ 4.21Å; V155-F206 HydrophobicContact CG2-CD2 4.28Å; V155-F206 HydrophobicContact CG2-CE2 4.38Å |
| 156 | S | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -43.1 | -178.4 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | Y102 F105 F106 G152 V153 T160 | Y102-S156 WeakPolarHBondContact O-CB 3.46Å; Y102-S156 PolarHBondContact O-OG 2.98Å; F105-S156 WeakPolarHBondContact CB-OG 3.47Å; F106-S156 WeakPolarHBondContact CA-OG 3.14Å; F106-S156 WeakPolarHBondContact CB-OG 3.21Å; F106-S156 PolarHBondContact N-OG 3.31Å; G152-S156 WeakPolarHBondContact O-CB 3.22Å; G152-S156 PolarHBondContact O-N 2.83Å; G152-S156 VanDerWaalsContact O-N 3.07Å; G152-S156 PolarHBondContact O-OG 3.39Å; V153-S156 PolarHBondContact O-N 3.37Å; S156-T160 WeakPolarHBondContact O-CB 3.3Å; S156-T160 PolarHBondContact O-N 3.24Å; S156-T160 PolarHBondContact O-OG1 3.17Å |
| 157 | M | 91.3 | Very high | 89.2 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.4 | -49.8 | 175.7 | -71.5 | -175.1 | 77.4 | 0 | 0 | 110.9 | Y102 V153 A161 | Y102-M157 HydrophobicContact CE2-CG 3.71Å; V153-M157 HydrophobicContact CG1-CG 4.07Å; V153-M157 HydrophobicContact CG1-SD 3.56Å; V153-M157 VanDerWaalsContact CG1-SD 3.56Å; V153-M157 WeakPolarHBondContact O-CB 2.95Å; V153-M157 VanDerWaalsContact O-CG 3.31Å; V153-M157 WeakPolarHBondContact O-CG 3.15Å; V153-M157 PolarHBondContact O-N 3.27Å; M157-A161 WeakPolarHBondContact O-CB 3.31Å; M157-A161 PolarHBondContact O-N 3.23Å |
| 158 | L | 89 | Confident | 88.3 | Confident | 79 Ų | 79 | 39.7 Ų | 39.7 | 41% | 0.414 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.4 | -52 | -177.2 | 179.1 | 62.6 | 0 | 0 | 0 | 111.8 | P154 V155 T160 W162 | P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.26Å; V155-L158 PolarHBondContact O-N 2.91Å; L158-T160 PolarHBondContact O-N 3.07Å; L158-W162 HydrophobicContact CD1-CE3 4.29Å; L158-W162 VanDerWaalsContact O-CB 3.27Å; L158-W162 WeakPolarHBondContact O-CB 3.4Å; L158-W162 PolarHBondContact O-N 3.46Å |
| 159 | Q | 86.6 | Confident | 87 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | -177.9 | -66.9 | -64.5 | -26.9 | 0 | 0 | 111.1 | F105 V155 M163 Y195 S202 | F105-Q159 HydrophobicContact CD2-CB 3.84Å; F105-Q159 HydrophobicContact CE2-CB 3.65Å; F105-Q159 HydrophobicContact CE2-CG 4.48Å; F105-Q159 HydrophobicContact CZ-CB 4.42Å; V155-Q159 HydrophobicContact CG2-CG 3.99Å; V155-Q159 VanDerWaalsContact O-CB 3.26Å; V155-Q159 WeakPolarHBondContact O-CB 3.37Å; V155-Q159 WeakPolarHBondContact O-CG 3.28Å; V155-Q159 PolarHBondContact O-N 3.43Å; Q159-M163 WeakPolarHBondContact O-CB 3.39Å; Q159-M163 PolarHBondContact O-N 3.02Å; Q159-Y195 PolarHBondContact OE1-OH 3.43Å; Q159-S202 PolarHBondContact NE2-OG 3.07Å |
| 160 | T | 88.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -48.3 | -179.6 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | G98 M101 Y102 S156 L158 W162 M163 M164 | G98-T160 WeakPolarHBondContact O-CG2 3.31Å; M101-T160 HydrophobicContact CE-CG2 4.2Å; Y102-T160 VanDerWaalsContact CA-OG1 3.28Å; Y102-T160 WeakPolarHBondContact CA-OG1 3.31Å; Y102-T160 PolarHBondContact N-OG1 3.36Å; S156-T160 WeakPolarHBondContact O-CB 3.3Å; S156-T160 PolarHBondContact O-N 3.24Å; S156-T160 PolarHBondContact O-OG1 3.17Å; L158-T160 PolarHBondContact O-N 3.07Å; T160-W162 VanDerWaalsContact C-N 3.3Å; T160-W162 PolarHBondContact O-N 3.48Å; T160-M163 PolarHBondContact O-N 2.86Å; T160-M164 HydrophobicContact CG2-CG 3.96Å; T160-M164 VanDerWaalsContact O-CB 3.32Å; T160-M164 WeakPolarHBondContact O-CB 3.32Å; T160-M164 WeakPolarHBondContact O-CG 3.45Å; T160-M164 PolarHBondContact O-N 3.48Å |
| 161 | A | 88.1 | Confident | 84.6 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M157 A165 | M157-A161 WeakPolarHBondContact O-CB 3.31Å; M157-A161 PolarHBondContact O-N 3.23Å; A161-A165 WeakPolarHBondContact O-CB 3.4Å; A161-A165 PolarHBondContact O-N 2.91Å |
| 162 | W | 87.3 | Confident | 83.9 | Confident | 93 Ų | 93 | 40 Ų | 40 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -51.4 | 176.5 | -162.4 | -28 | 0 | 0 | 0 | 110.8 | L158 T160 M164 A165 L166 T194 Y195 Q198 | L158-W162 HydrophobicContact CD1-CE3 4.29Å; L158-W162 VanDerWaalsContact O-CB 3.27Å; L158-W162 WeakPolarHBondContact O-CB 3.4Å; L158-W162 PolarHBondContact O-N 3.46Å; T160-W162 VanDerWaalsContact C-N 3.3Å; T160-W162 PolarHBondContact O-N 3.48Å; W162-M164 VanDerWaalsContact C-N 3.29Å; W162-M164 PolarHBondContact O-N 3.32Å; W162-A165 WeakPolarHBondContact O-CB 3.4Å; W162-A165 PolarHBondContact O-N 2.59Å; W162-L166 PolarHBondContact O-N 3.26Å; W162-T194 HydrophobicContact CH2-CG2 4.15Å; W162-T194 HydrophobicContact CZ2-CG2 4.05Å; W162-Y195 HydrophobicContact CB-CD2 4.11Å; W162-Y195 HydrophobicContact CB-CE2 4.2Å; W162-Y195 HydrophobicContact CD2-CD2 4.22Å; W162-Y195 AromaticContact CG-CD2 3.84Å; W162-Y195 HydrophobicContact CG-CD2 3.84Å; W162-Y195 HydrophobicContact CG-CE2 4.43Å; W162-Q198 HydrophobicContact CE3-CG 4.41Å; W162-Q198 HydrophobicContact CZ3-CB 4.33Å; W162-Q198 HydrophobicContact CZ3-CG 3.89Å |
| 163 | M | 84.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -45.5 | 178.8 | 179.3 | 167.5 | -80.4 | 0 | 0 | 111.6 | M101 Q159 T160 A165 L166 F168 G181 V184 L185 Y195 | M101-M163 HydrophobicContact CE-CB 3.63Å; M101-M163 HydrophobicContact CE-CE 4.38Å; M101-M163 HydrophobicContact CE-CG 3.94Å; M101-M163 HydrophobicContact CE-SD 3.33Å; M101-M163 WeakPolarHBondContact CE-SD 3.23Å; M101-M163 HydrophobicContact SD-CE 4.12Å; M101-M163 HydrophobicContact SD-SD 3.26Å; Q159-M163 WeakPolarHBondContact O-CB 3.39Å; Q159-M163 PolarHBondContact O-N 3.02Å; T160-M163 PolarHBondContact O-N 2.86Å; M163-A165 PolarHBondContact O-N 3.07Å; M163-L166 WeakPolarHBondContact O-CB 3.39Å; M163-L166 PolarHBondContact O-N 2.95Å; M163-L166 VanDerWaalsContact O-N 3.11Å; M163-F168 HydrophobicContact CG-CZ 4.15Å; M163-F168 VanDerWaalsContact O-CE2 3.22Å; M163-F168 WeakPolarHBondContact O-CE2 3.14Å; M163-G181 VanDerWaalsContact CE-O 3.32Å; M163-G181 WeakPolarHBondContact CE-O 3.47Å; M163-V184 HydrophobicContact CG-CG1 4.48Å; M163-V184 HydrophobicContact SD-CB 4.1Å; M163-V184 HydrophobicContact SD-CG1 3.78Å; M163-L185 HydrophobicContact CE-CB 4Å; M163-L185 HydrophobicContact CE-CD1 3.96Å; M163-Y195 HydrophobicContact CB-CE2 4.04Å; M163-Y195 HydrophobicContact CE-CE1 3.66Å; M163-Y195 WeakPolarHBondContact CE-OH 3.41Å |
| 164 | M | 85 | Confident | 82.4 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 16% | 0.163 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -14.9 | -178.3 | -61.7 | -61.6 | -77.6 | 0 | 0 | 113.5 | R8 F94 T160 W162 | R8-M164 PolarHBondContact NH2-O 3.46Å; F94-M164 HydrophobicContact CD1-CE 3.3Å; F94-M164 HydrophobicContact CD2-CE 3.95Å; F94-M164 HydrophobicContact CE1-CB 4.3Å; F94-M164 HydrophobicContact CE1-CE 3.12Å; F94-M164 HydrophobicContact CE1-SD 4.12Å; F94-M164 HydrophobicContact CE2-CE 3.75Å; F94-M164 HydrophobicContact CE2-SD 3.97Å; F94-M164 HydrophobicContact CG-CE 3.72Å; F94-M164 HydrophobicContact CZ-CB 4.08Å; F94-M164 HydrophobicContact CZ-CE 3.34Å; F94-M164 WeakPolarHBondContact CZ-O 3.41Å; F94-M164 HydrophobicContact CZ-SD 3.73Å; F94-M164 WeakPolarHBondContact O-CE 3.41Å; T160-M164 HydrophobicContact CG2-CG 3.96Å; T160-M164 VanDerWaalsContact O-CB 3.32Å; T160-M164 WeakPolarHBondContact O-CB 3.32Å; T160-M164 WeakPolarHBondContact O-CG 3.45Å; T160-M164 PolarHBondContact O-N 3.48Å; W162-M164 VanDerWaalsContact C-N 3.29Å; W162-M164 PolarHBondContact O-N 3.32Å |
| 165 | A | 85.4 | Confident | 81.6 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 62% | 0.62 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -84.8 | -16.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | A161 W162 M163 | A161-A165 WeakPolarHBondContact O-CB 3.4Å; A161-A165 PolarHBondContact O-N 2.91Å; W162-A165 WeakPolarHBondContact O-CB 3.4Å; W162-A165 PolarHBondContact O-N 2.59Å; M163-A165 PolarHBondContact O-N 3.07Å |
| 166 | L | 82.6 | Confident | 81 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -66.4 | 149.8 | 178.4 | -65.9 | 172.8 | 0 | 0 | 0 | 111.7 | W162 M163 F168 L185 V188 Y195 | W162-L166 PolarHBondContact O-N 3.26Å; M163-L166 WeakPolarHBondContact O-CB 3.39Å; M163-L166 PolarHBondContact O-N 2.95Å; M163-L166 VanDerWaalsContact O-N 3.11Å; L166-F168 HydrophobicContact CB-CE2 4.28Å; L166-F168 WeakPolarHBondContact O-CD2 3.14Å; L166-F168 PolarHBondContact O-N 3.21Å; L166-L185 HydrophobicContact CD1-CD1 3.77Å; L166-V188 HydrophobicContact CB-CG1 3.98Å; L166-V188 HydrophobicContact CB-CG2 3.93Å; L166-V188 HydrophobicContact CD1-CG1 4.32Å; L166-V188 HydrophobicContact CD1-CG2 3.93Å; L166-Y195 HydrophobicContact CD1-CG 4.49Å |
| 167 | P | 77.9 | Confident | 80 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 16% | 0.156 | 25% | 0.245 | C | C | . | . | trans | -75.3 | 111.9 | 179.3 | 28.7 | -31.7 | 0 | 0 | 0 | 111.1 | T189 E190 | P167-T189 PolarHBondContact O-N 3.31Å; P167-T189 PolarHBondContact O-OG1 3.48Å; P167-E190 HydrophobicContact CG-CB 4.04Å; P167-E190 HydrophobicContact CG-CG 3.62Å | ||
| 168 | F | 77.2 | Confident | 79 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | trans | -100.9 | 93.1 | 169.2 | -63.3 | -84.3 | 0 | 0 | 0 | 109.1 | I9 F12 F94 M163 L166 V184 L187 V188 | I9-F168 HydrophobicContact CB-CB 4.18Å; I9-F168 HydrophobicContact CD1-CB 3.94Å; I9-F168 HydrophobicContact CG1-CB 4.22Å; I9-F168 WeakPolarHBondContact CG1-O 3.49Å; I9-F168 PolarHBondContact N-O 3.17Å; F12-F168 HydrophobicContact CE1-CD1 4.23Å; F12-F168 HydrophobicContact CZ-CD1 4.14Å; F12-F168 HydrophobicContact CZ-CE1 4.3Å; F12-F168 HydrophobicContact CZ-CG 4.37Å; F94-F168 AromaticContact CE2-CD2 3.55Å; F94-F168 HydrophobicContact CE2-CD2 3.55Å; F94-F168 AromaticContact CE2-CE2 3.75Å; F94-F168 HydrophobicContact CE2-CE2 3.75Å; F94-F168 HydrophobicContact CE2-CG 4.34Å; F94-F168 HydrophobicContact CZ-CD2 4.1Å; F94-F168 HydrophobicContact CZ-CE2 4.18Å; M163-F168 HydrophobicContact CG-CZ 4.15Å; M163-F168 VanDerWaalsContact O-CE2 3.22Å; M163-F168 WeakPolarHBondContact O-CE2 3.14Å; L166-F168 HydrophobicContact CB-CE2 4.28Å; L166-F168 WeakPolarHBondContact O-CD2 3.14Å; L166-F168 PolarHBondContact O-N 3.21Å; F168-V184 HydrophobicContact CE1-CG1 3.72Å; F168-V184 HydrophobicContact CZ-CG1 3.84Å; F168-L187 HydrophobicContact CD1-CB 4.2Å; F168-L187 HydrophobicContact CE1-CB 4.49Å; F168-V188 HydrophobicContact CD1-CG2 4.01Å; F168-V188 HydrophobicContact CE1-CG2 3.44Å; F168-V188 VanDerWaalsContact CE1-CG2 3.44Å; F168-V188 HydrophobicContact CZ-CG2 3.74Å | ||
| 169 | C | 68.2 | Low | 78.3 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 10% | 0.095 | 20% | 0.2 | C | C | . | . | trans | -119 | 16.7 | -174.7 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | C3 H6 T189 | C3-C169 VanDerWaalsContact CA-SG 3.58Å; C3-C169 HydrophobicContact CB-CB 3.77Å; C3-C169 WeakPolarHBondContact CB-SG 3.37Å; C3-C169 WeakPolarHBondContact SG-CB 3.46Å; C3-C169 CovalentContact SG-SG 2.03Å; C3-C169 PolarHBondContact SG-SG 3.13Å; H6-C169 HydrophobicContact CB-CB 4.22Å; H6-C169 VanDerWaalsContact CB-O 3.29Å; H6-C169 WeakPolarHBondContact CB-O 3.36Å; H6-C169 PolarHBondContact CD2-O 3.32Å; C169-T189 HydrophobicContact CB-CG2 4.24Å | ||
| 170 | G | 69.5 | Low | 77.5 | Confident | 24 Ų | 24 | 32.7 Ų | 32.7 | 25% | 0.247 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -128.4 | -156.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I9 | I9-G170 WeakPolarHBondContact CD1-O 3.42Š|
| 171 | P | 70.6 | Confident | 76.6 | Confident | 100 Ų | 100 | 32.2 Ų | 32.2 | 65% | 0.649 | 20% | 0.203 | S | C | * | . | trans | -58.4 | 143.9 | 175.2 | 23.3 | -31.3 | 0 | 0 | 0 | 111 | L187 | P171-L187 WeakPolarHBondContact O-CD2 3.43Š| ||
| 172 | N | 78.5 | Confident | 75.6 | Confident | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | trans | -103.4 | 12.7 | -173.8 | 68.4 | -23.7 | 0 | 0 | 0 | 113.8 | I9 E11 F12 V13 | I9-N172 HydrophobicContact CD1-CB 4Å; I9-N172 HydrophobicContact CG1-CB 4.41Å; I9-N172 HydrophobicContact CG2-CB 3.75Å; E11-N172 VanDerWaalsContact O-CB 3.25Å; E11-N172 WeakPolarHBondContact O-CB 3.32Å; E11-N172 PolarHBondContact O-ND2 2.84Å; F12-N172 CarbonylContact C-O 3.49Å; F12-N172 VanDerWaalsContact CA-O 3.26Å; F12-N172 WeakPolarHBondContact CA-O 3.45Å; V13-N172 PolarHBondContact N-O 3.1Å | ||
| 173 | S | 75.3 | Confident | 74.3 | Confident | 56 Ų | 56 | 29.7 Ų | 29.7 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 114.8 | -177.9 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | V13 | V13-S173 CarbonylContact O-C 3.53Å; V13-S173 WeakPolarHBondContact O-CA 3.38Å |
| 174 | V | 76 | Confident | 73.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.5 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | F12 V13 L14 L15 H176 P183 V184 L187 | F12-V174 HydrophobicContact CB-CG2 4.01Å; F12-V174 HydrophobicContact CD1-CG2 3.9Å; F12-V174 HydrophobicContact CG-CG2 4.14Å; V13-V174 PolarHBondContact O-N 3.5Å; L14-V174 HydrophobicContact CD2-CB 4.01Å; L14-V174 HydrophobicContact CD2-CG1 4.02Å; L15-V174 PolarHBondContact N-O 3.13Å; V174-H176 HydrophobicContact CG1-CB 3.86Å; V174-H176 PolarHBondContact O-N 3.24Å; V174-P183 HydrophobicContact CG1-CB 3.69Å; V174-V184 HydrophobicContact CG1-CG2 4.33Å; V174-V184 HydrophobicContact CG2-CG2 4.14Å; V174-L187 HydrophobicContact CG2-CD1 3.61Å |
| 175 | D | 74.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 28.7 Ų | 28.7 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -76.6 | 59.9 | 176.7 | -171.3 | 21.4 | 0 | 0 | 0 | 112.3 | L15 K272 | L15-D175 HydrophobicContact CD1-CB 3.94Å; D175-K272 WeakPolarHBondContact O-CE 3.5Å; D175-K272 WeakPolarHBondContact OD1-CE 3.21Å; D175-K272 IonicContact OD1-NZ 2.75Å; D175-K272 PolarHBondContact OD1-NZ 2.78Å |
| 176 | H | 73.3 | Confident | 72 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -153 | 167.1 | -179.6 | -146.6 | -92.7 | 0 | 0 | 0 | 110.7 | L15 G16 V174 F178 P183 S275 | L15-H176 PolarHBondContact N-O 3.45Å; G16-H176 PolarHBondContact N-O 3.03Å; V174-H176 HydrophobicContact CG1-CB 3.86Å; V174-H176 PolarHBondContact O-N 3.24Å; H176-F178 WeakPolarHBondContact CB-O 3.41Å; H176-F178 AromaticContact CE1-CD1 3.6Å; H176-F178 AromaticContact CE1-CE1 3.28Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.43Å; H176-F178 AromaticContact CE1-CZ 3.7Å; H176-F178 AromaticContact ND1-CD1 3.51Å; H176-F178 AromaticContact ND1-CE1 3.68Å; H176-F178 AromaticContact ND1-CG 3.88Å; H176-F178 PolarHBondContact ND1-O 2.73Å; H176-P183 HydrophobicContact CB-CB 4.03Å; H176-P183 HydrophobicContact CB-CG 3.99Å; H176-S275 PolarHBondContact CE1-OG 3.43Å |
| 177 | F | 70.4 | Confident | 71.2 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -96.6 | -1.2 | 178.5 | 62.6 | -87.4 | 0 | 0 | 0 | 113.5 | F17 M81 K272 L276 | F17-F177 HydrophobicContact CD2-CB 4.13Å; F17-F177 AromaticContact CE1-CD1 3.65Å; F17-F177 HydrophobicContact CE1-CD1 3.65Å; F17-F177 AromaticContact CE1-CE1 3.92Å; F17-F177 HydrophobicContact CE1-CE1 3.92Å; F17-F177 HydrophobicContact CE1-CG 4.13Å; F17-F177 HydrophobicContact CE2-CB 3.54Å; F17-F177 AromaticContact CE2-CD1 3.95Å; F17-F177 HydrophobicContact CE2-CD1 3.95Å; F17-F177 AromaticContact CE2-CD2 3.9Å; F17-F177 HydrophobicContact CE2-CD2 3.9Å; F17-F177 AromaticContact CE2-CG 3.53Å; F17-F177 HydrophobicContact CE2-CG 3.53Å; F17-F177 HydrophobicContact CZ-CB 3.81Å; F17-F177 AromaticContact CZ-CD1 3.26Å; F17-F177 HydrophobicContact CZ-CD1 3.26Å; F17-F177 AromaticContact CZ-CD2 3.68Å; F17-F177 HydrophobicContact CZ-CD2 3.68Å; F17-F177 AromaticContact CZ-CE1 3.62Å; F17-F177 HydrophobicContact CZ-CE1 3.62Å; F17-F177 AromaticContact CZ-CE2 3.98Å; F17-F177 HydrophobicContact CZ-CE2 3.98Å; F17-F177 AromaticContact CZ-CG 3.3Å; F17-F177 HydrophobicContact CZ-CG 3.3Å; F17-F177 AromaticContact CZ-CZ 3.97Å; F17-F177 HydrophobicContact CZ-CZ 3.97Å; M81-F177 HydrophobicContact CB-CD2 4.38Å; M81-F177 HydrophobicContact CG-CB 4.37Å; M81-F177 HydrophobicContact CG-CD2 3.88Å; M81-F177 HydrophobicContact SD-CD2 3.36Å; M81-F177 WeakPolarHBondContact SD-CD2 3.19Å; M81-F177 HydrophobicContact SD-CE2 3.71Å; M81-F177 HydrophobicContact SD-CG 4.28Å; F177-K272 HydrophobicContact CD1-CB 4.33Å; F177-K272 HydrophobicContact CD1-CG 4.27Å; F177-K272 HydrophobicContact CE1-CB 4.24Å; F177-L276 HydrophobicContact CE1-CG 4.29Å; F177-L276 HydrophobicContact CE2-CD2 4.15Å; F177-L276 HydrophobicContact CZ-CD2 3.99Å; F177-L276 HydrophobicContact CZ-CG 3.97Å |
| 178 | F | 70.9 | Confident | 71.1 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -154.9 | 170.7 | 170.2 | 69.5 | -96.4 | 0 | 0 | 0 | 109.4 | M77 H176 D180 S275 Y278 T279 | M77-F178 HydrophobicContact CE-CB 4.07Å; M77-F178 HydrophobicContact CE-CD1 4.08Å; M77-F178 HydrophobicContact CE-CD2 3.23Å; M77-F178 HydrophobicContact CE-CE1 4.27Å; M77-F178 HydrophobicContact CE-CE2 3.51Å; M77-F178 HydrophobicContact CE-CG 3.55Å; M77-F178 HydrophobicContact CE-CZ 4.04Å; H176-F178 WeakPolarHBondContact CB-O 3.41Å; H176-F178 AromaticContact CE1-CD1 3.6Å; H176-F178 AromaticContact CE1-CE1 3.28Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.43Å; H176-F178 AromaticContact CE1-CZ 3.7Å; H176-F178 AromaticContact ND1-CD1 3.51Å; H176-F178 AromaticContact ND1-CE1 3.68Å; H176-F178 AromaticContact ND1-CG 3.88Å; H176-F178 PolarHBondContact ND1-O 2.73Å; F178-D180 VanDerWaalsContact C-N 3.33Å; F178-D180 HydrophobicContact CD2-CB 4Å; F178-D180 HydrophobicContact CE2-CB 3.42Å; F178-D180 VanDerWaalsContact CE2-CB 3.42Å; F178-D180 HydrophobicContact CZ-CB 3.88Å; F178-D180 PolarHBondContact O-N 2.89Å; F178-S275 WeakPolarHBondContact CE1-OG 3.35Å; F178-S275 VanDerWaalsContact CZ-OG 3.26Å; F178-S275 WeakPolarHBondContact CZ-OG 3.34Å; F178-Y278 HydrophobicContact CZ-CE2 4.38Å; F178-T279 HydrophobicContact CE1-CG2 3.65Å; F178-T279 HydrophobicContact CZ-CG2 3.76Å |
| 179 | C | 74 | Confident | 70.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -73.9 | 83 | 174.7 | -79.9 | 0 | 0 | 0 | 0 | 112.4 | C97 V184 | C97-C179 WeakPolarHBondContact CA-SG 3.43Å; C97-C179 HydrophobicContact CB-CB 3.93Å; C97-C179 WeakPolarHBondContact CB-SG 3.34Å; C97-C179 WeakPolarHBondContact SG-CB 3.48Å; C97-C179 CovalentContact SG-SG 2.02Å; C97-C179 PolarHBondContact SG-SG 3.45Å; C179-V184 HydrophobicContact CB-CG2 4.44Å | ||
| 180 | D | 70.8 | Confident | 71 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | trans | -87.7 | 147 | 169.6 | -169 | 13.5 | 0 | 0 | 0 | 110.3 | F178 P182 P183 V184 | F178-D180 VanDerWaalsContact C-N 3.33Å; F178-D180 HydrophobicContact CD2-CB 4Å; F178-D180 HydrophobicContact CE2-CB 3.42Å; F178-D180 VanDerWaalsContact CE2-CB 3.42Å; F178-D180 HydrophobicContact CZ-CB 3.88Å; F178-D180 PolarHBondContact O-N 2.89Å; D180-P182 WeakPolarHBondContact OD1-CD 3.35Å; D180-P183 HydrophobicContact CB-CG 4.03Å; D180-P183 WeakPolarHBondContact O-CD 3.21Å; D180-V184 VanDerWaalsContact O-CG2 3.3Å; D180-V184 WeakPolarHBondContact O-CG2 3.44Å; D180-V184 PolarHBondContact O-N 2.99Å | ||
| 181 | G | 67.8 | Low | 71.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.1 | -54.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M163 V184 L185 | M163-G181 VanDerWaalsContact CE-O 3.32Å; M163-G181 WeakPolarHBondContact CE-O 3.47Å; G181-V184 PolarHBondContact O-N 3.42Å; G181-L185 VanDerWaalsContact O-CB 3.29Å; G181-L185 WeakPolarHBondContact O-CB 3.46Å; G181-L185 PolarHBondContact O-N 3.24Å |
| 182 | P | 67.6 | Low | 71.7 | Confident | 82 Ų | 82 | 41.3 Ų | 41.3 | 53% | 0.532 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | -176.4 | -18.9 | 30 | 0 | 0 | 0 | 114.8 | D180 L185 K186 | D180-P182 WeakPolarHBondContact OD1-CD 3.35Å; P182-L185 PolarHBondContact O-N 3.46Å; P182-K186 PolarHBondContact O-N 3.17Å |
| 183 | P | 60.1 | Low | 71.7 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 172.2 | -28 | 37.3 | 0 | 0 | 0 | 114.5 | V174 H176 D180 | V174-P183 HydrophobicContact CG1-CB 3.69Å; H176-P183 HydrophobicContact CB-CB 4.03Å; H176-P183 HydrophobicContact CB-CG 3.99Å; D180-P183 HydrophobicContact CB-CG 4.03Å; D180-P183 WeakPolarHBondContact O-CD 3.21Å |
| 184 | V | 69.2 | Low | 72 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.5 | -40.5 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | F12 M163 F168 V174 C179 D180 G181 K186 L187 | F12-V184 HydrophobicContact CZ-CG1 4.38Å; M163-V184 HydrophobicContact CG-CG1 4.48Å; M163-V184 HydrophobicContact SD-CB 4.1Å; M163-V184 HydrophobicContact SD-CG1 3.78Å; F168-V184 HydrophobicContact CE1-CG1 3.72Å; F168-V184 HydrophobicContact CZ-CG1 3.84Å; V174-V184 HydrophobicContact CG1-CG2 4.33Å; V174-V184 HydrophobicContact CG2-CG2 4.14Å; C179-V184 HydrophobicContact CB-CG2 4.44Å; D180-V184 VanDerWaalsContact O-CG2 3.3Å; D180-V184 WeakPolarHBondContact O-CG2 3.44Å; D180-V184 PolarHBondContact O-N 2.99Å; G181-V184 PolarHBondContact O-N 3.42Å; V184-K186 PolarHBondContact O-N 2.85Å; V184-L187 WeakPolarHBondContact O-CB 3.27Å; V184-L187 PolarHBondContact O-N 3.48Å |
| 185 | L | 68.8 | Low | 72.3 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -30.9 | -178.7 | -165 | 65.5 | 0 | 0 | 0 | 113.1 | M163 L166 G181 P182 L187 V188 T192 Y195 E196 | M163-L185 HydrophobicContact CE-CB 4Å; M163-L185 HydrophobicContact CE-CD1 3.96Å; L166-L185 HydrophobicContact CD1-CD1 3.77Å; G181-L185 VanDerWaalsContact O-CB 3.29Å; G181-L185 WeakPolarHBondContact O-CB 3.46Å; G181-L185 PolarHBondContact O-N 3.24Å; P182-L185 PolarHBondContact O-N 3.46Å; L185-L187 PolarHBondContact O-N 3.4Å; L185-V188 HydrophobicContact CD1-CG2 4.24Å; L185-V188 WeakPolarHBondContact O-CB 3.45Å; L185-V188 WeakPolarHBondContact O-CG2 3.39Å; L185-V188 PolarHBondContact O-N 2.91Å; L185-V188 VanDerWaalsContact O-N 3.14Å; L185-T192 HydrophobicContact CD1-CG2 3.56Å; L185-T192 HydrophobicContact CD2-CG2 4.49Å; L185-T192 HydrophobicContact CG-CG2 3.78Å; L185-Y195 HydrophobicContact CD1-CD1 3.51Å; L185-Y195 HydrophobicContact CD1-CE1 3.82Å; L185-Y195 HydrophobicContact CD1-CG 4.26Å; L185-Y195 HydrophobicContact CD2-CD1 3.65Å; L185-Y195 HydrophobicContact CD2-CE1 3.93Å; L185-Y195 HydrophobicContact CG-CD1 4.25Å; L185-Y195 HydrophobicContact CG-CE1 4.47Å; L185-E196 HydrophobicContact CD2-CG 3.46Å; L185-E196 VanDerWaalsContact CD2-CG 3.46Å |
| 186 | K | 69.7 | Low | 72.4 | Confident | 163 Ų | 163 | 45.3 Ų | 45.3 | 71% | 0.709 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.6 | 175.3 | -74.8 | -178.6 | 175.8 | -170.7 | 0 | 114.6 | P182 V184 | P182-K186 PolarHBondContact O-N 3.17Å; V184-K186 PolarHBondContact O-N 2.85Å |
| 187 | L | 64.6 | Low | 72.7 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.7 | 179.8 | -55.4 | -178.9 | 0 | 0 | 0 | 112.6 | F12 F168 P171 V174 V184 L185 | F12-L187 HydrophobicContact CD1-CD1 3.88Å; F12-L187 HydrophobicContact CE1-CD1 3.89Å; F168-L187 HydrophobicContact CD1-CB 4.2Å; F168-L187 HydrophobicContact CE1-CB 4.49Å; P171-L187 WeakPolarHBondContact O-CD2 3.43Å; V174-L187 HydrophobicContact CG2-CD1 3.61Å; V184-L187 WeakPolarHBondContact O-CB 3.27Å; V184-L187 PolarHBondContact O-N 3.48Å; L185-L187 PolarHBondContact O-N 3.4Å |
| 188 | V | 75 | Confident | 73.3 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | -74.4 | 134.7 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | L166 F168 L185 E190 T192 | L166-V188 HydrophobicContact CB-CG1 3.98Å; L166-V188 HydrophobicContact CB-CG2 3.93Å; L166-V188 HydrophobicContact CD1-CG1 4.32Å; L166-V188 HydrophobicContact CD1-CG2 3.93Å; F168-V188 HydrophobicContact CD1-CG2 4.01Å; F168-V188 HydrophobicContact CE1-CG2 3.44Å; F168-V188 VanDerWaalsContact CE1-CG2 3.44Å; F168-V188 HydrophobicContact CZ-CG2 3.74Å; L185-V188 HydrophobicContact CD1-CG2 4.24Å; L185-V188 WeakPolarHBondContact O-CB 3.45Å; L185-V188 WeakPolarHBondContact O-CG2 3.39Å; L185-V188 PolarHBondContact O-N 2.91Å; L185-V188 VanDerWaalsContact O-N 3.14Å; V188-E190 HydrophobicContact CG1-CB 4.48Å; V188-T192 HydrophobicContact CB-CG2 3.74Å; V188-T192 HydrophobicContact CG1-CG2 3.75Å; V188-T192 HydrophobicContact CG2-CG2 4.33Å | ||
| 189 | T | 69.5 | Low | 73.8 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 53% | 0.534 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -88.2 | -15.8 | -176 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | P167 C169 | P167-T189 PolarHBondContact O-N 3.31Å; P167-T189 PolarHBondContact O-OG1 3.48Å; C169-T189 HydrophobicContact CB-CG2 4.24Å |
| 190 | E | 73.9 | Confident | 73.9 | Confident | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -97 | 167.3 | 176.4 | -73.2 | -174 | 173.1 | 0 | 0 | 111.9 | M1 P167 V188 T192 | M1-E190 PolarHBondContact N-OE1 3.11Å; P167-E190 HydrophobicContact CG-CB 4.04Å; P167-E190 HydrophobicContact CG-CG 3.62Å; V188-E190 HydrophobicContact CG1-CB 4.48Å; E190-T192 PolarHBondContact O-N 3.44Å |
| 191 | D | 76.1 | Confident | 74.5 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 66% | 0.663 | 34% | 0.337 | S | S | * | . | trans | -61.9 | 120.6 | 175.5 | -179.8 | 17.5 | 0 | 0 | 0 | 111.4 | T193 | D191-T193 VanDerWaalsContact OD1-CB 3.26Å; D191-T193 WeakPolarHBondContact OD1-CB 3.42Å; D191-T193 PolarHBondContact OD1-N 2.86Å; D191-T193 PolarHBondContact OD1-OG1 3.35Å | ||
| 192 | T | 79.7 | Confident | 75.1 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | trans | -95.1 | -0.2 | -177.7 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | L185 V188 E190 T194 Y195 E196 | L185-T192 HydrophobicContact CD1-CG2 3.56Å; L185-T192 HydrophobicContact CD2-CG2 4.49Å; L185-T192 HydrophobicContact CG-CG2 3.78Å; V188-T192 HydrophobicContact CB-CG2 3.74Å; V188-T192 HydrophobicContact CG1-CG2 3.75Å; V188-T192 HydrophobicContact CG2-CG2 4.33Å; E190-T192 PolarHBondContact O-N 3.44Å; T192-T194 VanDerWaalsContact C-N 3.28Å; T192-T194 PolarHBondContact O-N 2.92Å; T192-T194 VanDerWaalsContact O-N 3.16Å; T192-Y195 WeakPolarHBondContact O-CB 3.13Å; T192-Y195 PolarHBondContact O-N 2.98Å; T192-E196 PolarHBondContact O-N 3.49Å; T192-E196 PolarHBondContact OG1-OE1 2.83Å | ||
| 193 | T | 78.8 | Confident | 75.4 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.6 | -41.6 | -171.9 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | D191 E196 M197 | D191-T193 VanDerWaalsContact OD1-CB 3.26Å; D191-T193 WeakPolarHBondContact OD1-CB 3.42Å; D191-T193 PolarHBondContact OD1-N 2.86Å; D191-T193 PolarHBondContact OD1-OG1 3.35Å; T193-E196 PolarHBondContact O-N 2.99Å; T193-M197 HydrophobicContact CG2-CG 4.43Å; T193-M197 WeakPolarHBondContact O-CB 3.29Å; T193-M197 VanDerWaalsContact O-CG 3.3Å; T193-M197 WeakPolarHBondContact O-CG 3.28Å; T193-M197 PolarHBondContact O-N 2.88Å |
| 194 | T | 81.4 | Confident | 76.3 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 178.1 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | W162 T192 Q198 | W162-T194 HydrophobicContact CH2-CG2 4.15Å; W162-T194 HydrophobicContact CZ2-CG2 4.05Å; T192-T194 VanDerWaalsContact C-N 3.28Å; T192-T194 PolarHBondContact O-N 2.92Å; T192-T194 VanDerWaalsContact O-N 3.16Å; T194-Q198 WeakPolarHBondContact O-CB 3.39Å; T194-Q198 PolarHBondContact O-N 2.95Å |
| 195 | Y | 82.3 | Confident | 77 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.3 | 174.1 | -90.2 | 0 | 0 | 0 | 110.8 | Q159 W162 M163 L166 L185 T192 M197 Q198 A199 | Q159-Y195 PolarHBondContact OE1-OH 3.43Å; W162-Y195 HydrophobicContact CB-CD2 4.11Å; W162-Y195 HydrophobicContact CB-CE2 4.2Å; W162-Y195 HydrophobicContact CD2-CD2 4.22Å; W162-Y195 AromaticContact CG-CD2 3.84Å; W162-Y195 HydrophobicContact CG-CD2 3.84Å; W162-Y195 HydrophobicContact CG-CE2 4.43Å; M163-Y195 HydrophobicContact CB-CE2 4.04Å; M163-Y195 HydrophobicContact CE-CE1 3.66Å; M163-Y195 WeakPolarHBondContact CE-OH 3.41Å; L166-Y195 HydrophobicContact CD1-CG 4.49Å; L185-Y195 HydrophobicContact CD1-CD1 3.51Å; L185-Y195 HydrophobicContact CD1-CE1 3.82Å; L185-Y195 HydrophobicContact CD1-CG 4.26Å; L185-Y195 HydrophobicContact CD2-CD1 3.65Å; L185-Y195 HydrophobicContact CD2-CE1 3.93Å; L185-Y195 HydrophobicContact CG-CD1 4.25Å; L185-Y195 HydrophobicContact CG-CE1 4.47Å; T192-Y195 WeakPolarHBondContact O-CB 3.13Å; T192-Y195 PolarHBondContact O-N 2.98Å; Y195-M197 PolarHBondContact O-N 3.48Å; Y195-Q198 PolarHBondContact O-N 3.43Å; Y195-A199 HydrophobicContact CE1-CB 4.22Å; Y195-A199 WeakPolarHBondContact O-CB 2.92Å; Y195-A199 PolarHBondContact O-N 3.28Å |
| 196 | E | 77.6 | Confident | 77.7 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 178.8 | -69.4 | -171.8 | 178.5 | 0 | 0 | 112.2 | L185 T192 T193 A199 L200 | L185-E196 HydrophobicContact CD2-CG 3.46Å; L185-E196 VanDerWaalsContact CD2-CG 3.46Å; T192-E196 PolarHBondContact O-N 3.49Å; T192-E196 PolarHBondContact OG1-OE1 2.83Å; T193-E196 PolarHBondContact O-N 2.99Å; E196-A199 PolarHBondContact O-N 3.46Å; E196-L200 VanDerWaalsContact O-CB 3.25Å; E196-L200 WeakPolarHBondContact O-CB 3.36Å; E196-L200 PolarHBondContact O-N 3.29Å |
| 197 | M | 79.1 | Confident | 78.3 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 176.7 | -75.3 | -71.2 | -72.6 | 0 | 0 | 111.5 | T193 Y195 L200 A201 | T193-M197 HydrophobicContact CG2-CG 4.43Å; T193-M197 WeakPolarHBondContact O-CB 3.29Å; T193-M197 VanDerWaalsContact O-CG 3.3Å; T193-M197 WeakPolarHBondContact O-CG 3.28Å; T193-M197 PolarHBondContact O-N 2.88Å; Y195-M197 PolarHBondContact O-N 3.48Å; M197-L200 PolarHBondContact O-N 3.24Å; M197-A201 WeakPolarHBondContact O-CB 3.14Å; M197-A201 PolarHBondContact O-N 3.45Å |
| 198 | Q | 83.5 | Confident | 79.4 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.3 | -180 | 62.7 | 18 | 0 | 0 | 112.2 | W162 T194 Y195 A201 S202 | W162-Q198 HydrophobicContact CE3-CG 4.41Å; W162-Q198 HydrophobicContact CZ3-CB 4.33Å; W162-Q198 HydrophobicContact CZ3-CG 3.89Å; T194-Q198 WeakPolarHBondContact O-CB 3.39Å; T194-Q198 PolarHBondContact O-N 2.95Å; Y195-Q198 PolarHBondContact O-N 3.43Å; Q198-A201 PolarHBondContact O-N 3.29Å; Q198-S202 VanDerWaalsContact O-CB 3.3Å; Q198-S202 WeakPolarHBondContact O-CB 3.48Å; Q198-S202 PolarHBondContact O-N 3.14Å; Q198-S202 PolarHBondContact O-OG 2.94Å |
| 199 | A | 79.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y195 E196 S202 T203 | Y195-A199 HydrophobicContact CE1-CB 4.22Å; Y195-A199 WeakPolarHBondContact O-CB 2.92Å; Y195-A199 PolarHBondContact O-N 3.28Å; E196-A199 PolarHBondContact O-N 3.46Å; A199-S202 PolarHBondContact O-N 3.25Å; A199-T203 VanDerWaalsContact O-CB 3.24Å; A199-T203 WeakPolarHBondContact O-CB 3.31Å; A199-T203 PolarHBondContact O-N 3.03Å; A199-T203 PolarHBondContact O-OG1 3.44Å |
| 200 | L | 77.2 | Confident | 81.2 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.1 | -175.9 | 136.3 | 0 | 0 | 0 | 111.6 | E196 M197 S202 T203 L204 | E196-L200 VanDerWaalsContact O-CB 3.25Å; E196-L200 WeakPolarHBondContact O-CB 3.36Å; E196-L200 PolarHBondContact O-N 3.29Å; M197-L200 PolarHBondContact O-N 3.24Å; L200-S202 PolarHBondContact O-N 3.47Å; L200-T203 PolarHBondContact O-N 2.91Å; L200-L204 HydrophobicContact CD2-CD1 3.64Å; L200-L204 HydrophobicContact CD2-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.48Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 2.91Å |
| 201 | A | 82.4 | Confident | 82 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M197 Q198 L204 L205 | M197-A201 WeakPolarHBondContact O-CB 3.14Å; M197-A201 PolarHBondContact O-N 3.45Å; Q198-A201 PolarHBondContact O-N 3.29Å; A201-L204 PolarHBondContact O-N 3Å; A201-L205 WeakPolarHBondContact O-CB 3.16Å; A201-L205 PolarHBondContact O-N 3.5Å |
| 202 | S | 80.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | Q159 Q198 A199 L200 L204 L205 F206 | Q159-S202 PolarHBondContact NE2-OG 3.07Å; Q198-S202 VanDerWaalsContact O-CB 3.3Å; Q198-S202 WeakPolarHBondContact O-CB 3.48Å; Q198-S202 PolarHBondContact O-N 3.14Å; Q198-S202 PolarHBondContact O-OG 2.94Å; A199-S202 PolarHBondContact O-N 3.25Å; L200-S202 PolarHBondContact O-N 3.47Å; S202-L204 PolarHBondContact O-N 3.05Å; S202-L205 PolarHBondContact O-N 2.98Å; S202-F206 WeakPolarHBondContact O-CB 3.15Å; S202-F206 VanDerWaalsContact O-CD2 3.29Å; S202-F206 WeakPolarHBondContact O-CD2 3.26Å; S202-F206 PolarHBondContact O-N 2.9Å |
| 203 | T | 75.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 178.2 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | A199 L200 L205 F206 I207 Y259 | A199-T203 VanDerWaalsContact O-CB 3.24Å; A199-T203 WeakPolarHBondContact O-CB 3.31Å; A199-T203 PolarHBondContact O-N 3.03Å; A199-T203 PolarHBondContact O-OG1 3.44Å; L200-T203 PolarHBondContact O-N 2.91Å; T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 2.88Å; T203-F206 PolarHBondContact O-N 3.27Å; T203-I207 HydrophobicContact CG2-CD1 3.49Å; T203-I207 VanDerWaalsContact CG2-CD1 3.49Å; T203-I207 HydrophobicContact CG2-CG1 4.24Å; T203-I207 VanDerWaalsContact O-CB 3.23Å; T203-I207 WeakPolarHBondContact O-CB 3.29Å; T203-I207 VanDerWaalsContact O-CG1 3.25Å; T203-I207 WeakPolarHBondContact O-CG1 3.47Å; T203-I207 PolarHBondContact O-N 3.3Å; T203-Y259 HydrophobicContact CG2-CE1 4.06Å; T203-Y259 HydrophobicContact CG2-CE2 4.07Å |
| 204 | L | 78.6 | Confident | 84.4 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.2 | -74.5 | 173.7 | 0 | 0 | 0 | 111.1 | L200 A201 S202 M208 | L200-L204 HydrophobicContact CD2-CD1 3.64Å; L200-L204 HydrophobicContact CD2-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.48Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 2.91Å; A201-L204 PolarHBondContact O-N 3Å; S202-L204 PolarHBondContact O-N 3.05Å; L204-M208 HydrophobicContact CD2-CG 4.33Å; L204-M208 WeakPolarHBondContact O-CA 3.13Å; L204-M208 WeakPolarHBondContact O-CB 3.31Å; L204-M208 WeakPolarHBondContact O-CG 3.08Å; L204-M208 PolarHBondContact O-N 2.85Å |
| 205 | L | 83.8 | Confident | 85 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 59% | 0.592 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63 | -50.9 | 179.9 | -175.6 | 65.1 | 0 | 0 | 0 | 112 | A201 S202 T203 I207 F209 | A201-L205 WeakPolarHBondContact O-CB 3.16Å; A201-L205 PolarHBondContact O-N 3.5Å; S202-L205 PolarHBondContact O-N 2.98Å; T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 2.88Å; L205-I207 VanDerWaalsContact C-N 3.33Å; L205-I207 PolarHBondContact O-N 3.43Å; L205-F209 WeakPolarHBondContact O-CB 3.22Å; L205-F209 PolarHBondContact O-N 3.43Å |
| 206 | F | 83.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 20% | 0.197 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.1 | -19.2 | -175 | -81.8 | -93.9 | 0 | 0 | 0 | 114 | F113 S151 V155 S202 T203 P210 | F113-F206 HydrophobicContact CE2-CD1 4.03Å; S151-F206 WeakPolarHBondContact O-CE1 3.39Å; V155-F206 HydrophobicContact CB-CD1 4.5Å; V155-F206 HydrophobicContact CB-CD2 4.18Å; V155-F206 HydrophobicContact CB-CE1 4.25Å; V155-F206 HydrophobicContact CB-CE2 3.9Å; V155-F206 HydrophobicContact CB-CG 4.48Å; V155-F206 HydrophobicContact CB-CZ 3.94Å; V155-F206 HydrophobicContact CG1-CD1 4.12Å; V155-F206 HydrophobicContact CG1-CE1 4.02Å; V155-F206 HydrophobicContact CG1-CG 4.43Å; V155-F206 HydrophobicContact CG1-CZ 4.21Å; V155-F206 HydrophobicContact CG2-CD2 4.28Å; V155-F206 HydrophobicContact CG2-CE2 4.38Å; S202-F206 WeakPolarHBondContact O-CB 3.15Å; S202-F206 VanDerWaalsContact O-CD2 3.29Å; S202-F206 WeakPolarHBondContact O-CD2 3.26Å; S202-F206 PolarHBondContact O-N 2.9Å; T203-F206 PolarHBondContact O-N 3.27Å; F206-P210 WeakPolarHBondContact O-CD 3.12Å; F206-P210 WeakPolarHBondContact O-CG 3.49Å |
| 207 | I | 83.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -92.6 | -49.1 | 172.5 | -65.3 | -178 | 0 | 0 | 0 | 110.4 | T203 L205 P210 F211 Y252 Y259 | T203-I207 HydrophobicContact CG2-CD1 3.49Å; T203-I207 VanDerWaalsContact CG2-CD1 3.49Å; T203-I207 HydrophobicContact CG2-CG1 4.24Å; T203-I207 VanDerWaalsContact O-CB 3.23Å; T203-I207 WeakPolarHBondContact O-CB 3.29Å; T203-I207 VanDerWaalsContact O-CG1 3.25Å; T203-I207 WeakPolarHBondContact O-CG1 3.47Å; T203-I207 PolarHBondContact O-N 3.3Å; L205-I207 VanDerWaalsContact C-N 3.33Å; L205-I207 PolarHBondContact O-N 3.43Å; I207-P210 WeakPolarHBondContact O-CD 3.47Å; I207-P210 WeakPolarHBondContact O-CG 3.4Å; I207-F211 WeakPolarHBondContact O-CB 3.16Å; I207-F211 PolarHBondContact O-N 3.19Å; I207-F211 VanDerWaalsContact O-N 3.07Å; I207-Y252 HydrophobicContact CG2-CD1 3.83Å; I207-Y252 HydrophobicContact CG2-CE1 3.59Å; I207-Y259 HydrophobicContact CD1-CE2 4.19Å |
| 208 | M | 86.6 | Confident | 87.4 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.9 | -35.1 | -171.9 | -63.3 | -60.3 | -64.8 | 0 | 0 | 112.7 | L204 S212 | L204-M208 HydrophobicContact CD2-CG 4.33Å; L204-M208 WeakPolarHBondContact O-CA 3.13Å; L204-M208 WeakPolarHBondContact O-CB 3.31Å; L204-M208 WeakPolarHBondContact O-CG 3.08Å; L204-M208 PolarHBondContact O-N 2.85Å; M208-S212 VanDerWaalsContact O-CB 3.27Å; M208-S212 WeakPolarHBondContact O-CB 3.27Å; M208-S212 PolarHBondContact O-N 3.34Å; M208-S212 PolarHBondContact O-OG 3.45Å |
| 209 | F | 90.8 | Very high | 87.9 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 48% | 0.478 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -58.2 | 176.9 | 177.9 | -100.8 | 0 | 0 | 0 | 112.2 | F113 L205 F211 S212 L213 | F113-F209 AromaticContact CE1-CD1 3.86Å; F113-F209 HydrophobicContact CE1-CD1 3.86Å; F113-F209 AromaticContact CE1-CE1 3.85Å; F113-F209 HydrophobicContact CE1-CE1 3.85Å; F113-F209 AromaticContact CZ-CD1 3.86Å; F113-F209 HydrophobicContact CZ-CD1 3.86Å; F113-F209 HydrophobicContact CZ-CE1 4.27Å; L205-F209 WeakPolarHBondContact O-CB 3.22Å; L205-F209 PolarHBondContact O-N 3.43Å; F209-F211 VanDerWaalsContact C-N 3.3Å; F209-F211 PolarHBondContact O-N 2.83Å; F209-S212 PolarHBondContact O-N 3.31Å; F209-L213 HydrophobicContact CD1-CD1 4.29Å; F209-L213 HydrophobicContact CE1-CD1 3.71Å; F209-L213 HydrophobicContact CE1-CG 4.49Å; F209-L213 HydrophobicContact CZ-CD1 3.93Å; F209-L213 HydrophobicContact CZ-CG 4.44Å; F209-L213 PolarHBondContact O-N 3.34Å; F209-L213 VanDerWaalsContact O-N 3.14Å |
| 210 | P | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 176.9 | 19.8 | -28.4 | 0 | 0 | 0 | 112.8 | C112 F113 S116 F206 I207 S212 L213 I214 | C112-P210 HydrophobicContact CB-CB 4.07Å; C112-P210 HydrophobicContact CB-CG 3.65Å; F113-P210 HydrophobicContact CD2-CG 4.46Å; F113-P210 HydrophobicContact CE2-CG 4.32Å; S116-P210 VanDerWaalsContact OG-C 3.23Å; S116-P210 WeakPolarHBondContact OG-CA 3.49Å; S116-P210 WeakPolarHBondContact OG-CB 3.46Å; S116-P210 PolarHBondContact OG-O 3Å; F206-P210 WeakPolarHBondContact O-CD 3.12Å; F206-P210 WeakPolarHBondContact O-CG 3.49Å; I207-P210 WeakPolarHBondContact O-CD 3.47Å; I207-P210 WeakPolarHBondContact O-CG 3.4Å; P210-S212 VanDerWaalsContact C-N 3.34Å; P210-S212 PolarHBondContact O-N 3.01Å; P210-L213 WeakPolarHBondContact O-CB 3.46Å; P210-L213 PolarHBondContact O-N 3.48Å; P210-I214 WeakPolarHBondContact O-CG1 3.14Å; P210-I214 PolarHBondContact O-N 3.07Å |
| 211 | F | 91.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 25% | 0.254 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.1 | -173.9 | -113.6 | 0 | 0 | 0 | 112.3 | I207 F209 L213 I214 L215 Y252 | I207-F211 WeakPolarHBondContact O-CB 3.16Å; I207-F211 PolarHBondContact O-N 3.19Å; I207-F211 VanDerWaalsContact O-N 3.07Å; F209-F211 VanDerWaalsContact C-N 3.3Å; F209-F211 PolarHBondContact O-N 2.83Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.44Å; F211-I214 WeakPolarHBondContact O-CB 3.41Å; F211-I214 PolarHBondContact O-N 2.89Å; F211-I214 VanDerWaalsContact O-N 3.17Å; F211-L215 HydrophobicContact CD1-CD1 3.81Å; F211-L215 HydrophobicContact CD1-CG 4.23Å; F211-L215 HydrophobicContact CE1-CD1 3.42Å; F211-L215 VanDerWaalsContact CE1-CD1 3.42Å; F211-L215 HydrophobicContact CE1-CD2 4.38Å; F211-L215 HydrophobicContact CE1-CG 3.93Å; F211-L215 HydrophobicContact CZ-CD1 3.99Å; F211-L215 HydrophobicContact CZ-CD2 4.11Å; F211-L215 HydrophobicContact CZ-CG 4.07Å; F211-L215 WeakPolarHBondContact O-CG 3.5Å; F211-L215 PolarHBondContact O-N 3.41Å; F211-Y252 HydrophobicContact CB-CD1 4.14Å; F211-Y252 HydrophobicContact CB-CE1 3.6Å; F211-Y252 AromaticContact CD2-CD1 3.59Å; F211-Y252 HydrophobicContact CD2-CD1 3.59Å; F211-Y252 AromaticContact CD2-CD2 3.89Å; F211-Y252 HydrophobicContact CD2-CD2 3.89Å; F211-Y252 AromaticContact CD2-CE1 3.82Å; F211-Y252 HydrophobicContact CD2-CE1 3.82Å; F211-Y252 HydrophobicContact CD2-CE2 4.1Å; F211-Y252 AromaticContact CD2-CG 3.62Å; F211-Y252 HydrophobicContact CD2-CG 3.62Å; F211-Y252 HydrophobicContact CE2-CD1 4.3Å; F211-Y252 HydrophobicContact CE2-CD2 4.39Å; F211-Y252 HydrophobicContact CE2-CG 4.03Å; F211-Y252 HydrophobicContact CG-CD1 4.09Å; F211-Y252 HydrophobicContact CG-CE1 4.06Å; F211-Y252 PolarHBondContact N-OH 3.37Å |
| 212 | S | 92.9 | Very high | 90 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | M208 F209 P210 I214 L215 V216 | M208-S212 VanDerWaalsContact O-CB 3.27Å; M208-S212 WeakPolarHBondContact O-CB 3.27Å; M208-S212 PolarHBondContact O-N 3.34Å; M208-S212 PolarHBondContact O-OG 3.45Å; F209-S212 PolarHBondContact O-N 3.31Å; P210-S212 VanDerWaalsContact C-N 3.34Å; P210-S212 PolarHBondContact O-N 3.01Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.35Å; S212-L215 PolarHBondContact O-N 3.12Å; S212-V216 WeakPolarHBondContact O-CB 3.19Å; S212-V216 VanDerWaalsContact O-CG2 3.31Å; S212-V216 WeakPolarHBondContact O-CG2 3.37Å; S212-V216 PolarHBondContact O-N 2.93Å |
| 213 | L | 95 | Very high | 90.6 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 174.2 | -64.9 | 178.4 | 0 | 0 | 0 | 112 | F209 P210 F211 S217 | F209-L213 HydrophobicContact CD1-CD1 4.29Å; F209-L213 HydrophobicContact CE1-CD1 3.71Å; F209-L213 HydrophobicContact CE1-CG 4.49Å; F209-L213 HydrophobicContact CZ-CD1 3.93Å; F209-L213 HydrophobicContact CZ-CG 4.44Å; F209-L213 PolarHBondContact O-N 3.34Å; F209-L213 VanDerWaalsContact O-N 3.14Å; P210-L213 WeakPolarHBondContact O-CB 3.46Å; P210-L213 PolarHBondContact O-N 3.48Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.44Å; L213-S217 VanDerWaalsContact O-CB 3.3Å; L213-S217 WeakPolarHBondContact O-CB 3.36Å; L213-S217 PolarHBondContact O-N 3.48Å; L213-S217 PolarHBondContact O-OG 3.47Å |
| 214 | I | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 175.1 | -65.8 | 166.5 | 0 | 0 | 0 | 110 | L115 A119 P210 F211 S212 V216 S217 Y218 V248 Y252 | L115-I214 HydrophobicContact CB-CD1 4.17Å; A119-I214 HydrophobicContact CB-CB 4.29Å; A119-I214 HydrophobicContact CB-CG1 3.94Å; A119-I214 HydrophobicContact CB-CG2 4.24Å; P210-I214 WeakPolarHBondContact O-CG1 3.14Å; P210-I214 PolarHBondContact O-N 3.07Å; F211-I214 WeakPolarHBondContact O-CB 3.41Å; F211-I214 PolarHBondContact O-N 2.89Å; F211-I214 VanDerWaalsContact O-N 3.17Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.35Å; I214-V216 PolarHBondContact O-N 3.26Å; I214-S217 WeakPolarHBondContact O-CB 3.49Å; I214-S217 PolarHBondContact O-N 2.88Å; I214-Y218 HydrophobicContact CG2-CD2 3.69Å; I214-Y218 HydrophobicContact CG2-CE2 4Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.49Å; I214-V248 HydrophobicContact CD1-CG1 4.33Å; I214-V248 HydrophobicContact CD1-CG2 4.19Å; I214-V248 HydrophobicContact CG2-CG1 4.01Å; I214-V248 HydrophobicContact CG2-CG2 4.4Å; I214-Y252 HydrophobicContact CD1-CE2 3.72Å |
| 215 | L | 94.9 | Very high | 92 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 45% | 0.445 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 179.6 | -74.7 | -179.3 | 0 | 0 | 0 | 112.3 | F211 S212 S217 Y218 T219 | F211-L215 HydrophobicContact CD1-CD1 3.81Å; F211-L215 HydrophobicContact CD1-CG 4.23Å; F211-L215 HydrophobicContact CE1-CD1 3.42Å; F211-L215 VanDerWaalsContact CE1-CD1 3.42Å; F211-L215 HydrophobicContact CE1-CD2 4.38Å; F211-L215 HydrophobicContact CE1-CG 3.93Å; F211-L215 HydrophobicContact CZ-CD1 3.99Å; F211-L215 HydrophobicContact CZ-CD2 4.11Å; F211-L215 HydrophobicContact CZ-CG 4.07Å; F211-L215 WeakPolarHBondContact O-CG 3.5Å; F211-L215 PolarHBondContact O-N 3.41Å; S212-L215 PolarHBondContact O-N 3.12Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.43Å; L215-Y218 PolarHBondContact O-N 2.98Å; L215-T219 VanDerWaalsContact O-CB 3.31Å; L215-T219 WeakPolarHBondContact O-CB 3.25Å; L215-T219 PolarHBondContact O-N 3.43Å; L215-T219 PolarHBondContact O-OG1 3.41Å |
| 216 | V | 96.4 | Very high | 92.4 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | S212 I214 Y218 T219 R220 | S212-V216 WeakPolarHBondContact O-CB 3.19Å; S212-V216 VanDerWaalsContact O-CG2 3.31Å; S212-V216 WeakPolarHBondContact O-CG2 3.37Å; S212-V216 PolarHBondContact O-N 2.93Å; I214-V216 PolarHBondContact O-N 3.26Å; V216-Y218 PolarHBondContact O-N 2.95Å; V216-T219 PolarHBondContact O-N 3.02Å; V216-R220 VanDerWaalsContact O-CG 3.31Å; V216-R220 WeakPolarHBondContact O-CG 3.26Å; V216-R220 PolarHBondContact O-N 3.37Å; V216-R220 VanDerWaalsContact O-N 3.11Å |
| 217 | S | 96.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | L213 I214 L215 R220 I221 | L213-S217 VanDerWaalsContact O-CB 3.3Å; L213-S217 WeakPolarHBondContact O-CB 3.36Å; L213-S217 PolarHBondContact O-N 3.48Å; L213-S217 PolarHBondContact O-OG 3.47Å; I214-S217 WeakPolarHBondContact O-CB 3.49Å; I214-S217 PolarHBondContact O-N 2.88Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.43Å; S217-R220 PolarHBondContact O-N 3.08Å; S217-I221 VanDerWaalsContact O-CG1 3.23Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.31Å |
| 218 | Y | 95.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.4 | -33.1 | -178.5 | -86.5 | -75.2 | 0 | 0 | 0 | 114.1 | A119 I214 L215 V216 R220 I221 I222 C241 H244 L245 | A119-Y218 HydrophobicContact CB-CD2 4.31Å; A119-Y218 HydrophobicContact CB-CE2 3.89Å; I214-Y218 HydrophobicContact CG2-CD2 3.69Å; I214-Y218 HydrophobicContact CG2-CE2 4Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.49Å; L215-Y218 PolarHBondContact O-N 2.98Å; V216-Y218 PolarHBondContact O-N 2.95Å; Y218-R220 VanDerWaalsContact C-N 3.3Å; Y218-R220 PolarHBondContact O-N 3.34Å; Y218-I221 HydrophobicContact CD1-CD1 3.97Å; Y218-I221 HydrophobicContact CE1-CD1 4.07Å; Y218-I221 HydrophobicContact CG-CD1 4.36Å; Y218-I221 PolarHBondContact O-N 3.45Å; Y218-I222 WeakPolarHBondContact O-CB 3.41Å; Y218-I222 WeakPolarHBondContact O-CD1 3.4Å; Y218-I222 WeakPolarHBondContact O-CG1 3.22Å; Y218-I222 PolarHBondContact O-N 3.05Å; Y218-C241 HydrophobicContact CE1-CB 3.88Å; Y218-H244 AromaticContact CE2-ND1 3.56Å; Y218-H244 AromaticContact CZ-ND1 3.6Å; Y218-H244 PolarHBondContact OH-ND1 3.28Å; Y218-L245 HydrophobicContact CD1-CD1 4.03Å; Y218-L245 HydrophobicContact CD1-CD2 3.65Å; Y218-L245 HydrophobicContact CD1-CG 4.02Å; Y218-L245 HydrophobicContact CD2-CD2 3.82Å; Y218-L245 HydrophobicContact CE1-CD1 3.74Å; Y218-L245 HydrophobicContact CE1-CD2 3.54Å; Y218-L245 HydrophobicContact CE1-CG 3.49Å; Y218-L245 VanDerWaalsContact CE1-CG 3.49Å; Y218-L245 HydrophobicContact CE2-CD2 3.7Å; Y218-L245 HydrophobicContact CE2-CG 4.29Å; Y218-L245 HydrophobicContact CG-CD2 3.78Å |
| 219 | T | 94.8 | Very high | 93.1 | Very high | 97 Ų | 97 | 67 Ų | 67 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 172.7 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | L215 V216 G223 | L215-T219 VanDerWaalsContact O-CB 3.31Å; L215-T219 WeakPolarHBondContact O-CB 3.25Å; L215-T219 PolarHBondContact O-N 3.43Å; L215-T219 PolarHBondContact O-OG1 3.41Å; V216-T219 PolarHBondContact O-N 3.02Å; T219-G223 PolarHBondContact O-N 2.93Å |
| 220 | R | 95.5 | Very high | 93.1 | Very high | 167 Ų | 167 | 64.6 Ų | 64.6 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 175.8 | -64.9 | -68.2 | -170.6 | 139.6 | 1.7 | 112.1 | F123 V216 S217 Y218 I222 G223 T224 | F123-R220 HydrophobicContact CD2-CB 3.83Å; F123-R220 HydrophobicContact CE2-CB 3.64Å; F123-R220 HydrophobicContact CE2-CG 4.13Å; V216-R220 VanDerWaalsContact O-CG 3.31Å; V216-R220 WeakPolarHBondContact O-CG 3.26Å; V216-R220 PolarHBondContact O-N 3.37Å; V216-R220 VanDerWaalsContact O-N 3.11Å; S217-R220 PolarHBondContact O-N 3.08Å; Y218-R220 VanDerWaalsContact C-N 3.3Å; Y218-R220 PolarHBondContact O-N 3.34Å; R220-I222 PolarHBondContact O-N 3.46Å; R220-G223 PolarHBondContact O-N 2.83Å; R220-T224 PolarHBondContact O-N 2.78Å; R220-T224 PolarHBondContact O-OG1 2.89Å |
| 221 | I | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.5 | -50.9 | 176.2 | -71.3 | 164.9 | 0 | 0 | 0 | 110.6 | R122 F123 I126 S217 Y218 G223 T224 I225 | R122-I221 HydrophobicContact CB-CD1 3.99Å; F123-I221 HydrophobicContact CB-CD1 4.11Å; F123-I221 HydrophobicContact CB-CG1 4.17Å; F123-I221 HydrophobicContact CD2-CG1 4.49Å; I126-I221 HydrophobicContact CD1-CG2 3.74Å; I126-I221 HydrophobicContact CG2-CG2 4.29Å; S217-I221 VanDerWaalsContact O-CG1 3.23Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.31Å; Y218-I221 HydrophobicContact CD1-CD1 3.97Å; Y218-I221 HydrophobicContact CE1-CD1 4.07Å; Y218-I221 HydrophobicContact CG-CD1 4.36Å; Y218-I221 PolarHBondContact O-N 3.45Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 3.29Å; I221-T224 PolarHBondContact O-N 3.46Å; I221-T224 VanDerWaalsContact O-N 3.16Å; I221-I225 HydrophobicContact CG2-CD1 3.62Å; I221-I225 HydrophobicContact CG2-CG1 4.28Å; I221-I225 VanDerWaalsContact O-CG1 3.31Å; I221-I225 WeakPolarHBondContact O-CG1 2.96Å; I221-I225 PolarHBondContact O-N 2.69Å |
| 222 | I | 93.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 179.6 | -69 | 165 | 0 | 0 | 0 | 109.9 | Y218 R220 T224 I225 L226 | Y218-I222 WeakPolarHBondContact O-CB 3.41Å; Y218-I222 WeakPolarHBondContact O-CD1 3.4Å; Y218-I222 WeakPolarHBondContact O-CG1 3.22Å; Y218-I222 PolarHBondContact O-N 3.05Å; R220-I222 PolarHBondContact O-N 3.46Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 2.93Å; I222-I225 PolarHBondContact O-N 3.44Å; I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.23Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.19Å |
| 223 | G | 92.9 | Very high | 92.3 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.6 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T219 R220 I221 R227 | T219-G223 PolarHBondContact O-N 2.93Å; R220-G223 PolarHBondContact O-N 2.83Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 3.29Å; G223-R227 WeakPolarHBondContact O-CG 3.35Å; G223-R227 PolarHBondContact O-N 2.84Å |
| 224 | T | 92.4 | Very high | 91.9 | Very high | 46 Ų | 46 | 70.6 Ų | 70.6 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 112 | I126 C127 R220 I221 I222 L226 R227 M228 | I126-T224 HydrophobicContact CG2-CG2 4.18Å; C127-T224 PolarHBondContact SG-OG1 3.31Å; R220-T224 PolarHBondContact O-N 2.78Å; R220-T224 PolarHBondContact O-OG1 2.89Å; I221-T224 PolarHBondContact O-N 3.46Å; I221-T224 VanDerWaalsContact O-N 3.16Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 2.93Å; T224-L226 PolarHBondContact O-N 3.42Å; T224-R227 PolarHBondContact O-N 3.07Å; T224-R227 VanDerWaalsContact O-N 3.17Å; T224-M228 HydrophobicContact CG2-CE 4.18Å; T224-M228 PolarHBondContact O-N 3.36Å |
| 225 | I | 91.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | -179.8 | -68.7 | 171.5 | 0 | 0 | 0 | 110.9 | I126 I221 I222 R227 M228 R234 A237 F238 | I126-I225 HydrophobicContact CG2-CG1 4.15Å; I221-I225 HydrophobicContact CG2-CD1 3.62Å; I221-I225 HydrophobicContact CG2-CG1 4.28Å; I221-I225 VanDerWaalsContact O-CG1 3.31Å; I221-I225 WeakPolarHBondContact O-CG1 2.96Å; I221-I225 PolarHBondContact O-N 2.69Å; I222-I225 PolarHBondContact O-N 3.44Å; I225-R227 PolarHBondContact O-N 3.14Å; I225-M228 HydrophobicContact CG1-CE 4.25Å; I225-M228 WeakPolarHBondContact O-CB 2.93Å; I225-M228 PolarHBondContact O-N 2.9Å; I225-R234 HydrophobicContact CG2-CB 3.96Å; I225-R234 HydrophobicContact CG2-CG 3.99Å; I225-R234 WeakPolarHBondContact O-CG 3.05Å; I225-A237 HydrophobicContact CD1-CB 3.67Å; I225-A237 HydrophobicContact CG1-CB 3.74Å; I225-F238 HydrophobicContact CB-CE2 4.49Å; I225-F238 HydrophobicContact CG2-CD2 3.81Å; I225-F238 HydrophobicContact CG2-CE2 3.42Å; I225-F238 VanDerWaalsContact CG2-CE2 3.42Å; I225-F238 HydrophobicContact CG2-CZ 4.04Å |
| 226 | L | 90.9 | Very high | 91 | Very high | 107 Ų | 107 | 80.9 Ų | 80.9 | 56% | 0.56 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.3 | -28.4 | 178.8 | -69.5 | 174.7 | 0 | 0 | 0 | 112.7 | I222 T224 R234 | I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.23Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.19Å; T224-L226 PolarHBondContact O-N 3.42Å; L226-R234 PolarHBondContact O-NH2 3.36Å |
| 227 | R | 91.4 | Very high | 90.5 | Very high | 220 Ų | 220 | 77.1 Ų | 77.1 | 83% | 0.83 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -84.2 | -10.9 | 176.6 | -68.2 | 176.9 | -178.6 | -179.4 | 0.2 | 114.2 | G223 T224 I225 | G223-R227 WeakPolarHBondContact O-CG 3.35Å; G223-R227 PolarHBondContact O-N 2.84Å; T224-R227 PolarHBondContact O-N 3.07Å; T224-R227 VanDerWaalsContact O-N 3.17Å; I225-R227 PolarHBondContact O-N 3.14Å |
| 228 | M | 91.1 | Very high | 89.9 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | trans | -65.8 | 134.5 | 178.5 | -67.4 | -177.9 | -178.8 | 0 | 0 | 110.4 | I126 T224 I225 R234 A237 | I126-M228 HydrophobicContact CG2-CE 3.86Å; T224-M228 HydrophobicContact CG2-CE 4.18Å; T224-M228 PolarHBondContact O-N 3.36Å; I225-M228 HydrophobicContact CG1-CE 4.25Å; I225-M228 WeakPolarHBondContact O-CB 2.93Å; I225-M228 PolarHBondContact O-N 2.9Å; M228-R234 HydrophobicContact CB-CG 3.99Å; M228-R234 PolarHBondContact O-NE 2.92Å; M228-R234 PolarHBondContact O-NH2 2.73Å; M228-A237 HydrophobicContact CE-CB 4.42Å; M228-A237 HydrophobicContact SD-CB 4.49Å | ||
| 229 | P | 85.1 | Confident | 89.3 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 85% | 0.851 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -74.6 | -26.6 | -178.6 | 27 | -33.3 | 0 | 0 | 0 | 113.3 | ||
| 230 | S | 91.9 | Very high | 88.7 | Confident | 60 Ų | 60 | 82.1 Ų | 82.1 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | trans | -91.9 | 122.1 | -176.5 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | T232 G233 R234 | S230-T232 VanDerWaalsContact C-N 3.31Å; S230-T232 PolarHBondContact O-N 3.48Å; S230-T232 PolarHBondContact OG-N 2.83Å; S230-G233 PolarHBondContact O-N 3.04Å; S230-G233 VanDerWaalsContact O-N 3.16Å; S230-G233 PolarHBondContact OG-N 2.68Å; S230-G233 VanDerWaalsContact OG-N 3.15Å; S230-R234 WeakPolarHBondContact O-CG 3.28Å; S230-R234 PolarHBondContact O-N 3.05Å | ||
| 231 | A | 87.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 60% | 0.603 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.1 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G233 R234 Q235 | A231-G233 VanDerWaalsContact C-N 3.33Å; A231-G233 PolarHBondContact O-N 3.48Å; A231-R234 WeakPolarHBondContact O-CB 3.5Å; A231-R234 PolarHBondContact O-N 2.93Å; A231-Q235 PolarHBondContact O-N 3.06Å |
| 232 | T | 86.9 | Confident | 87.8 | Confident | 107 Ų | 107 | 75.5 Ų | 75.5 | 66% | 0.656 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 174.8 | -44.7 | 0 | 0 | 0 | 0 | 111.5 | S230 Q235 K236 | S230-T232 VanDerWaalsContact C-N 3.31Å; S230-T232 PolarHBondContact O-N 3.48Å; S230-T232 PolarHBondContact OG-N 2.83Å; T232-Q235 PolarHBondContact O-N 2.98Å; T232-K236 WeakPolarHBondContact O-CB 3.35Å; T232-K236 PolarHBondContact O-N 2.9Å |
| 233 | G | 83.9 | Confident | 87.4 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S230 A231 K236 A237 | S230-G233 PolarHBondContact O-N 3.04Å; S230-G233 VanDerWaalsContact O-N 3.16Å; S230-G233 PolarHBondContact OG-N 2.68Å; S230-G233 VanDerWaalsContact OG-N 3.15Å; A231-G233 VanDerWaalsContact C-N 3.33Å; A231-G233 PolarHBondContact O-N 3.48Å; G233-K236 PolarHBondContact O-N 3.14Å; G233-A237 PolarHBondContact O-N 3.37Å |
| 234 | R | 87.1 | Confident | 87.3 | Confident | 95 Ų | 95 | 71 Ų | 71 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 175.4 | -66.1 | 177.6 | -173.8 | 176.4 | 0.8 | 111.8 | I225 L226 M228 S230 A231 K236 A237 F238 | I225-R234 HydrophobicContact CG2-CB 3.96Å; I225-R234 HydrophobicContact CG2-CG 3.99Å; I225-R234 WeakPolarHBondContact O-CG 3.05Å; L226-R234 PolarHBondContact O-NH2 3.36Å; M228-R234 HydrophobicContact CB-CG 3.99Å; M228-R234 PolarHBondContact O-NE 2.92Å; M228-R234 PolarHBondContact O-NH2 2.73Å; S230-R234 WeakPolarHBondContact O-CG 3.28Å; S230-R234 PolarHBondContact O-N 3.05Å; A231-R234 WeakPolarHBondContact O-CB 3.5Å; A231-R234 PolarHBondContact O-N 2.93Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.25Å; R234-A237 PolarHBondContact O-N 3.43Å; R234-F238 WeakPolarHBondContact O-CD2 3.26Å; R234-F238 PolarHBondContact O-N 3.46Å |
| 235 | Q | 86.2 | Confident | 87.1 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | -179.3 | -170.5 | 177.5 | 9.2 | 0 | 0 | 111.7 | A231 T232 F238 S239 | A231-Q235 PolarHBondContact O-N 3.06Å; T232-Q235 PolarHBondContact O-N 2.98Å; Q235-F238 PolarHBondContact O-N 3.39Å; Q235-S239 WeakPolarHBondContact O-CB 3.5Å; Q235-S239 PolarHBondContact O-N 3.16Å |
| 236 | K | 85.3 | Confident | 86.9 | Confident | 159 Ų | 159 | 74 Ų | 74 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 176 | -172.7 | 175 | -179.8 | 179.1 | 0 | 112 | T232 G233 R234 S239 T240 | T232-K236 WeakPolarHBondContact O-CB 3.35Å; T232-K236 PolarHBondContact O-N 2.9Å; G233-K236 PolarHBondContact O-N 3.14Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.25Å; K236-S239 PolarHBondContact O-N 2.84Å; K236-T240 PolarHBondContact O-N 3.19Å; K236-T240 PolarHBondContact O-OG1 2.85Å |
| 237 | A | 85.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I126 I225 M228 G233 R234 S239 T240 C241 | I126-A237 HydrophobicContact CD1-CB 4.49Å; I225-A237 HydrophobicContact CD1-CB 3.67Å; I225-A237 HydrophobicContact CG1-CB 3.74Å; M228-A237 HydrophobicContact CE-CB 4.42Å; M228-A237 HydrophobicContact SD-CB 4.49Å; G233-A237 PolarHBondContact O-N 3.37Å; R234-A237 PolarHBondContact O-N 3.43Å; A237-S239 PolarHBondContact O-N 2.79Å; A237-T240 WeakPolarHBondContact O-CB 3.23Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-C241 PolarHBondContact O-N 2.59Å |
| 238 | F | 83.9 | Confident | 86.6 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175 | -87.3 | -65.5 | 0 | 0 | 0 | 112.7 | I225 R234 Q235 T240 C241 S242 | I225-F238 HydrophobicContact CB-CE2 4.49Å; I225-F238 HydrophobicContact CG2-CD2 3.81Å; I225-F238 HydrophobicContact CG2-CE2 3.42Å; I225-F238 VanDerWaalsContact CG2-CE2 3.42Å; I225-F238 HydrophobicContact CG2-CZ 4.04Å; R234-F238 WeakPolarHBondContact O-CD2 3.26Å; R234-F238 PolarHBondContact O-N 3.46Å; Q235-F238 PolarHBondContact O-N 3.39Å; F238-T240 VanDerWaalsContact C-N 3.28Å; F238-T240 PolarHBondContact O-N 2.93Å; F238-C241 PolarHBondContact O-N 2.87Å; F238-S242 PolarHBondContact O-N 2.72Å |
| 239 | S | 82 | Confident | 86.4 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | Q235 K236 A237 C241 S242 | Q235-S239 WeakPolarHBondContact O-CB 3.5Å; Q235-S239 PolarHBondContact O-N 3.16Å; K236-S239 PolarHBondContact O-N 2.84Å; A237-S239 PolarHBondContact O-N 2.79Å; S239-C241 VanDerWaalsContact C-N 3.29Å; S239-C241 PolarHBondContact O-N 3.19Å; S239-S242 PolarHBondContact O-N 3.15Å; S239-S242 PolarHBondContact O-OG 3.29Å |
| 240 | T | 82.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | R122 K236 A237 F238 | R122-T240 PolarHBondContact NH2-O 3.35Å; K236-T240 PolarHBondContact O-N 3.19Å; K236-T240 PolarHBondContact O-OG1 2.85Å; A237-T240 WeakPolarHBondContact O-CB 3.23Å; A237-T240 PolarHBondContact O-N 3.35Å; F238-T240 VanDerWaalsContact C-N 3.28Å; F238-T240 PolarHBondContact O-N 2.93Å |
| 241 | C | 86 | Confident | 85.9 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -85.9 | -20.4 | -179.9 | -77.8 | 0 | 0 | 0 | 0 | 114.3 | I126 Y218 A237 F238 S239 S243 H244 L245 | I126-C241 WeakPolarHBondContact CD1-SG 3.45Å; Y218-C241 HydrophobicContact CE1-CB 3.88Å; A237-C241 PolarHBondContact O-N 2.59Å; F238-C241 PolarHBondContact O-N 2.87Å; S239-C241 VanDerWaalsContact C-N 3.29Å; S239-C241 PolarHBondContact O-N 3.19Å; C241-S243 PolarHBondContact O-N 2.93Å; C241-H244 PolarHBondContact O-N 3.46Å; C241-L245 HydrophobicContact CB-CD1 4.45Å; C241-L245 PolarHBondContact O-N 3.1Å |
| 242 | S | 85.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | -167.6 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | F238 S239 H244 L245 I246 | F238-S242 PolarHBondContact O-N 2.72Å; S239-S242 PolarHBondContact O-N 3.15Å; S239-S242 PolarHBondContact O-OG 3.29Å; S242-H244 PolarHBondContact O-N 3.35Å; S242-L245 PolarHBondContact O-N 2.66Å; S242-I246 WeakPolarHBondContact O-CD1 3.33Å; S242-I246 WeakPolarHBondContact O-CG1 2.98Å; S242-I246 PolarHBondContact O-N 3.37Å |
| 243 | S | 85.5 | Confident | 85.3 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 179.8 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | C241 I246 V247 | C241-S243 PolarHBondContact O-N 2.93Å; S243-I246 PolarHBondContact O-N 2.89Å; S243-V247 WeakPolarHBondContact O-CG2 3.48Å; S243-V247 PolarHBondContact O-N 2.02Å; S243-V247 VanDerWaalsContact O-N 3.12Å |
| 244 | H | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 178.2 | -175.8 | -107.4 | 0 | 0 | 0 | 112 | M59 L115 M118 Y218 C241 S242 I246 V247 V248 Y290 | M59-H244 HydrophobicContact CE-CB 4.36Å; L115-H244 PolarHBondContact O-CE1 2.76Å; L115-H244 VanDerWaalsContact O-CE1 3.23Å; L115-H244 PolarHBondContact O-NE2 3.12Å; L115-H244 VanDerWaalsContact O-NE2 3.07Å; M118-H244 WeakPolarHBondContact CB-NE2 3.19Å; Y218-H244 AromaticContact CE2-ND1 3.56Å; Y218-H244 AromaticContact CZ-ND1 3.6Å; Y218-H244 PolarHBondContact OH-ND1 3.28Å; C241-H244 PolarHBondContact O-N 3.46Å; S242-H244 PolarHBondContact O-N 3.35Å; H244-I246 VanDerWaalsContact C-N 3.3Å; H244-I246 PolarHBondContact O-N 2.6Å; H244-V247 PolarHBondContact O-N 2.94Å; H244-V248 VanDerWaalsContact CE1-CG2 3.49Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.11Å; H244-V248 WeakPolarHBondContact O-CG2 3.38Å; H244-V248 PolarHBondContact O-N 3.49Å; H244-Y290 PolarHBondContact CD2-OH 3.24Å |
| 245 | L | 89.1 | Confident | 84.1 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 176.5 | -78.2 | 173.6 | 0 | 0 | 0 | 112.6 | Y218 C241 S242 V248 S249 | Y218-L245 HydrophobicContact CD1-CD1 4.03Å; Y218-L245 HydrophobicContact CD1-CD2 3.65Å; Y218-L245 HydrophobicContact CD1-CG 4.02Å; Y218-L245 HydrophobicContact CD2-CD2 3.82Å; Y218-L245 HydrophobicContact CE1-CD1 3.74Å; Y218-L245 HydrophobicContact CE1-CD2 3.54Å; Y218-L245 HydrophobicContact CE1-CG 3.49Å; Y218-L245 VanDerWaalsContact CE1-CG 3.49Å; Y218-L245 HydrophobicContact CE2-CD2 3.7Å; Y218-L245 HydrophobicContact CE2-CG 4.29Å; Y218-L245 HydrophobicContact CG-CD2 3.78Å; C241-L245 HydrophobicContact CB-CD1 4.45Å; C241-L245 PolarHBondContact O-N 3.1Å; S242-L245 PolarHBondContact O-N 2.66Å; L245-V248 PolarHBondContact O-N 2.84Å; L245-S249 WeakPolarHBondContact O-CB 3.32Å; L245-S249 PolarHBondContact O-N 3.13Å; L245-S249 PolarHBondContact O-OG 2.71Å |
| 246 | I | 87.6 | Confident | 83.4 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.3 | -67.1 | 160.5 | 0 | 0 | 0 | 110.7 | S242 S243 H244 S249 L250 I289 | S242-I246 WeakPolarHBondContact O-CD1 3.33Å; S242-I246 WeakPolarHBondContact O-CG1 2.98Å; S242-I246 PolarHBondContact O-N 3.37Å; S243-I246 PolarHBondContact O-N 2.89Å; H244-I246 VanDerWaalsContact C-N 3.3Å; H244-I246 PolarHBondContact O-N 2.6Å; I246-S249 PolarHBondContact O-N 2.79Å; I246-L250 HydrophobicContact CG2-CD1 3.95Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CB 3.33Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å; I246-I289 HydrophobicContact CB-CG2 4.38Å; I246-I289 HydrophobicContact CG2-CD1 3.82Å; I246-I289 HydrophobicContact CG2-CG1 4.27Å; I246-I289 HydrophobicContact CG2-CG2 4.35Å |
| 247 | V | 86.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L115 S243 H244 S249 L250 F251 N286 I289 Y290 | L115-V247 HydrophobicContact CD2-CG1 3.73Å; S243-V247 WeakPolarHBondContact O-CG2 3.48Å; S243-V247 PolarHBondContact O-N 2.02Å; S243-V247 VanDerWaalsContact O-N 3.12Å; H244-V247 PolarHBondContact O-N 2.94Å; V247-S249 PolarHBondContact O-N 3.02Å; V247-L250 PolarHBondContact O-N 3.02Å; V247-F251 WeakPolarHBondContact O-CB 3.33Å; V247-F251 PolarHBondContact O-N 3.46Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.17Å; V247-I289 HydrophobicContact CG2-CB 4.21Å; V247-I289 HydrophobicContact CG2-CD1 4.06Å; V247-I289 HydrophobicContact CG2-CG2 3.83Å; V247-Y290 HydrophobicContact CB-CE2 4.28Å; V247-Y290 HydrophobicContact CG1-CE2 4.27Å; V247-Y290 HydrophobicContact CG2-CD2 4.16Å; V247-Y290 HydrophobicContact CG2-CE2 3.43Å; V247-Y290 VanDerWaalsContact CG2-CE2 3.43Å |
| 248 | V | 88.2 | Confident | 81.5 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 175.4 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | L115 I214 H244 L245 F251 Y252 | L115-V248 HydrophobicContact CB-CG2 4.42Å; I214-V248 HydrophobicContact CD1-CG1 4.33Å; I214-V248 HydrophobicContact CD1-CG2 4.19Å; I214-V248 HydrophobicContact CG2-CG1 4.01Å; I214-V248 HydrophobicContact CG2-CG2 4.4Å; H244-V248 VanDerWaalsContact CE1-CG2 3.49Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.11Å; H244-V248 WeakPolarHBondContact O-CG2 3.38Å; H244-V248 PolarHBondContact O-N 3.49Å; L245-V248 PolarHBondContact O-N 2.84Å; V248-F251 PolarHBondContact O-N 2.9Å; V248-Y252 HydrophobicContact CG1-CD2 3.84Å; V248-Y252 HydrophobicContact CG1-CE2 4.34Å; V248-Y252 WeakPolarHBondContact O-CB 3.49Å; V248-Y252 WeakPolarHBondContact O-CD2 3.29Å; V248-Y252 PolarHBondContact O-N 3.04Å |
| 249 | S | 86.7 | Confident | 80.2 | Confident | 82 Ų | 82 | 41.7 Ų | 41.7 | 57% | 0.573 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.3 | -39.8 | 179.5 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | L245 I246 V247 G253 | L245-S249 WeakPolarHBondContact O-CB 3.32Å; L245-S249 PolarHBondContact O-N 3.13Å; L245-S249 PolarHBondContact O-OG 2.71Å; I246-S249 PolarHBondContact O-N 2.79Å; V247-S249 PolarHBondContact O-N 3.02Å; S249-G253 VanDerWaalsContact O-CA 3.23Å; S249-G253 WeakPolarHBondContact O-CA 3.43Å; S249-G253 PolarHBondContact O-N 2.7Å |
| 250 | L | 84.3 | Confident | 79.1 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 175.8 | -73.2 | 171.3 | 0 | 0 | 0 | 111 | I246 V247 T254 L285 I289 | I246-L250 HydrophobicContact CG2-CD1 3.95Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CB 3.33Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å; V247-L250 PolarHBondContact O-N 3.02Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 VanDerWaalsContact O-CG2 3.22Å; L250-T254 WeakPolarHBondContact O-CG2 3.32Å; L250-T254 PolarHBondContact O-N 3.44Å; L250-T254 PolarHBondContact O-OG1 3.49Å; L250-L285 HydrophobicContact CD1-CB 4.38Å; L250-L285 HydrophobicContact CD1-CD1 3.98Å; L250-I289 HydrophobicContact CD1-CD1 3.47Å; L250-I289 VanDerWaalsContact CD1-CD1 3.47Å |
| 251 | F | 82.5 | Confident | 78.1 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -58.3 | -179 | -178 | -92.9 | 0 | 0 | 0 | 112.1 | E111 C112 L115 V247 V248 G253 T254 A255 T282 | E111-F251 HydrophobicContact CB-CE2 4.38Å; E111-F251 HydrophobicContact CB-CZ 4.45Å; E111-F251 VanDerWaalsContact CD-CD2 3.46Å; E111-F251 HydrophobicContact CG-CD2 4.23Å; E111-F251 HydrophobicContact CG-CE2 3.87Å; E111-F251 HydrophobicContact CG-CZ 4.23Å; E111-F251 WeakPolarHBondContact OE1-CD2 3.06Å; E111-F251 WeakPolarHBondContact OE1-CE2 3.4Å; E111-F251 WeakPolarHBondContact OE2-CE2 3.26Å; C112-F251 WeakPolarHBondContact SG-CE1 3.25Å; L115-F251 HydrophobicContact CD1-CB 4.19Å; L115-F251 HydrophobicContact CD1-CD1 3.98Å; L115-F251 HydrophobicContact CD1-CG 4Å; V247-F251 WeakPolarHBondContact O-CB 3.33Å; V247-F251 PolarHBondContact O-N 3.46Å; V248-F251 PolarHBondContact O-N 2.9Å; F251-G253 PolarHBondContact O-N 2.87Å; F251-T254 PolarHBondContact O-OG1 3.05Å; F251-A255 WeakPolarHBondContact O-CB 3.24Å; F251-A255 PolarHBondContact O-N 3.05Å; F251-A255 VanDerWaalsContact O-N 3.13Å; F251-T282 HydrophobicContact CB-CG2 4.43Å; F251-T282 HydrophobicContact CD2-CG2 4.41Å |
| 252 | Y | 81.9 | Confident | 76.4 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.6 | -29.3 | -178.3 | -76.5 | -83.6 | 0 | 0 | 0 | 113.1 | L115 I207 F211 I214 V248 S256 | L115-Y252 HydrophobicContact CD1-CE2 4.48Å; I207-Y252 HydrophobicContact CG2-CD1 3.83Å; I207-Y252 HydrophobicContact CG2-CE1 3.59Å; F211-Y252 HydrophobicContact CB-CD1 4.14Å; F211-Y252 HydrophobicContact CB-CE1 3.6Å; F211-Y252 AromaticContact CD2-CD1 3.59Å; F211-Y252 HydrophobicContact CD2-CD1 3.59Å; F211-Y252 AromaticContact CD2-CD2 3.89Å; F211-Y252 HydrophobicContact CD2-CD2 3.89Å; F211-Y252 AromaticContact CD2-CE1 3.82Å; F211-Y252 HydrophobicContact CD2-CE1 3.82Å; F211-Y252 HydrophobicContact CD2-CE2 4.1Å; F211-Y252 AromaticContact CD2-CG 3.62Å; F211-Y252 HydrophobicContact CD2-CG 3.62Å; F211-Y252 HydrophobicContact CE2-CD1 4.3Å; F211-Y252 HydrophobicContact CE2-CD2 4.39Å; F211-Y252 HydrophobicContact CE2-CG 4.03Å; F211-Y252 HydrophobicContact CG-CD1 4.09Å; F211-Y252 HydrophobicContact CG-CE1 4.06Å; F211-Y252 PolarHBondContact N-OH 3.37Å; I214-Y252 HydrophobicContact CD1-CE2 3.72Å; V248-Y252 HydrophobicContact CG1-CD2 3.84Å; V248-Y252 HydrophobicContact CG1-CE2 4.34Å; V248-Y252 WeakPolarHBondContact O-CB 3.49Å; V248-Y252 WeakPolarHBondContact O-CD2 3.29Å; V248-Y252 PolarHBondContact O-N 3.04Å; Y252-S256 VanDerWaalsContact O-CB 3.29Å; Y252-S256 WeakPolarHBondContact O-CB 3.23Å; Y252-S256 PolarHBondContact O-N 2.78Å; Y252-S256 PolarHBondContact O-OG 2.91Å |
| 253 | G | 81.1 | Confident | 74.9 | Confident | 32 Ų | 32 | 58 Ų | 58 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S249 F251 S256 L257 | S249-G253 VanDerWaalsContact O-CA 3.23Å; S249-G253 WeakPolarHBondContact O-CA 3.43Å; S249-G253 PolarHBondContact O-N 2.7Å; F251-G253 PolarHBondContact O-N 2.87Å; G253-S256 PolarHBondContact O-N 2.81Å; G253-L257 WeakPolarHBondContact O-CG 3.46Å; G253-L257 PolarHBondContact O-N 3.3Å |
| 254 | T | 74.8 | Confident | 73.1 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | L250 F251 S256 L257 T258 | L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 VanDerWaalsContact O-CG2 3.22Å; L250-T254 WeakPolarHBondContact O-CG2 3.32Å; L250-T254 PolarHBondContact O-N 3.44Å; L250-T254 PolarHBondContact O-OG1 3.49Å; F251-T254 PolarHBondContact O-OG1 3.05Å; T254-S256 PolarHBondContact O-N 3.46Å; T254-L257 PolarHBondContact O-N 2.89Å; T254-T258 PolarHBondContact O-N 2.99Å; T254-T258 PolarHBondContact O-OG1 3Å |
| 255 | A | 70.4 | Confident | 71.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | F251 L257 T258 Y259 | F251-A255 WeakPolarHBondContact O-CB 3.24Å; F251-A255 PolarHBondContact O-N 3.05Å; F251-A255 VanDerWaalsContact O-N 3.13Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.32Å; A255-T258 WeakPolarHBondContact O-CA 3.05Å; A255-T258 WeakPolarHBondContact O-CB 2.99Å; A255-T258 PolarHBondContact O-N 3.3Å; A255-Y259 WeakPolarHBondContact O-CD2 3.43Å; A255-Y259 PolarHBondContact O-N 3.49Å |
| 256 | S | 70.8 | Confident | 69.8 | Low | 54 Ų | 54 | 67.4 Ų | 67.4 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 179.1 | -65 | 0 | 0 | 0 | 0 | 112.8 | Y252 G253 T254 T258 Y259 L260 | Y252-S256 VanDerWaalsContact O-CB 3.29Å; Y252-S256 WeakPolarHBondContact O-CB 3.23Å; Y252-S256 PolarHBondContact O-N 2.78Å; Y252-S256 PolarHBondContact O-OG 2.91Å; G253-S256 PolarHBondContact O-N 2.81Å; T254-S256 PolarHBondContact O-N 3.46Å; S256-T258 PolarHBondContact O-N 3.38Å; S256-Y259 PolarHBondContact O-N 3.23Å; S256-L260 VanDerWaalsContact O-CB 3.3Å; S256-L260 WeakPolarHBondContact O-CB 3.27Å; S256-L260 WeakPolarHBondContact O-CG 3.3Å; S256-L260 PolarHBondContact O-N 3.29Å |
| 257 | L | 68.6 | Low | 68.6 | Low | 113 Ų | 113 | 67.6 Ų | 67.6 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.7 | -23.5 | 173.2 | -71.9 | 173 | 0 | 0 | 0 | 113.1 | G253 T254 A255 R261 | G253-L257 WeakPolarHBondContact O-CG 3.46Å; G253-L257 PolarHBondContact O-N 3.3Å; T254-L257 PolarHBondContact O-N 2.89Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.32Å; L257-R261 WeakPolarHBondContact O-CB 3.25Å |
| 258 | T | 62.6 | Low | 67.5 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -76.9 | -44.8 | 175.9 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | T254 A255 S256 V274 Y278 | T254-T258 PolarHBondContact O-N 2.99Å; T254-T258 PolarHBondContact O-OG1 3Å; A255-T258 WeakPolarHBondContact O-CA 3.05Å; A255-T258 WeakPolarHBondContact O-CB 2.99Å; A255-T258 PolarHBondContact O-N 3.3Å; S256-T258 PolarHBondContact O-N 3.38Å; T258-V274 HydrophobicContact CG2-CG1 4.07Å; T258-V274 WeakPolarHBondContact OG1-CG1 3.27Å; T258-Y278 HydrophobicContact CG2-CE1 4.19Å |
| 259 | Y | 57.1 | Low | 66.3 | Low | 140 Ų | 140 | 78.3 Ų | 78.3 | 55% | 0.549 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -92.2 | -31.1 | -171.8 | -66.7 | -72.6 | 0 | 0 | 0 | 114.9 | T203 I207 A255 S256 | T203-Y259 HydrophobicContact CG2-CE1 4.06Å; T203-Y259 HydrophobicContact CG2-CE2 4.07Å; I207-Y259 HydrophobicContact CD1-CE2 4.19Å; A255-Y259 WeakPolarHBondContact O-CD2 3.43Å; A255-Y259 PolarHBondContact O-N 3.49Å; S256-Y259 PolarHBondContact O-N 3.23Å |
| 260 | L | 59.9 | Low | 65 | Low | 143 Ų | 143 | 75.2 Ų | 75.2 | 75% | 0.749 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -90.5 | -6.1 | -175.8 | -61.4 | 176 | 0 | 0 | 0 | 113.6 | S256 P262 | S256-L260 VanDerWaalsContact O-CB 3.3Å; S256-L260 WeakPolarHBondContact O-CB 3.27Å; S256-L260 WeakPolarHBondContact O-CG 3.3Å; S256-L260 PolarHBondContact O-N 3.29Å; L260-P262 WeakPolarHBondContact O-CD 3.43Å |
| 261 | R | 60.2 | Low | 64.1 | Low | 105 Ų | 105 | 76.7 Ų | 76.7 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.9 | 122.7 | -176.7 | -158.2 | 174.3 | -173.9 | -179.4 | 1.4 | 110.1 | L257 K263 Q266 | L257-R261 WeakPolarHBondContact O-CB 3.25Å; R261-K263 PolarHBondContact O-N 2.77Å; R261-Q266 PolarHBondContact O-NE2 3.45Å |
| 262 | P | 51.4 | Low | 63.4 | Low | 72 Ų | 72 | 76.5 Ų | 76.5 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | trans | -57 | 136.3 | -177.4 | -22.8 | 31 | 0 | 0 | 0 | 111.9 | L260 S264 N265 | L260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-S264 PolarHBondContact O-N 3.34Å; P262-N265 PolarHBondContact O-N 2.86Å | ||
| 263 | K | 54.2 | Low | 62.5 | Low | 181 Ų | 181 | 81.4 Ų | 81.4 | 79% | 0.787 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -54.1 | -28.4 | -179.9 | -70.3 | -173.8 | 179.1 | -178.7 | 0 | 113 | R261 N265 | R261-K263 PolarHBondContact O-N 2.77Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 3.22Å |
| 264 | S | 47 | Very low | 61.8 | Low | 106 Ų | 106 | 81 Ų | 81 | 74% | 0.741 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.3 | 177.5 | 55 | 0 | 0 | 0 | 0 | 114.8 | P262 | P262-S264 PolarHBondContact O-N 3.34Š|
| 265 | N | 52.9 | Low | 61.4 | Low | 109 Ų | 109 | 80.1 Ų | 80.1 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -108 | 16.9 | -177.1 | -77.1 | -7.6 | 0 | 0 | 0 | 113.3 | P262 K263 | P262-N265 PolarHBondContact O-N 2.86Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 3.22Å |
| 266 | Q | 57.9 | Low | 61.4 | Low | 51 Ų | 51 | 80.2 Ų | 80.2 | 24% | 0.238 | 42% | 0.418 | C | S | . | . | trans | -109.1 | 97.3 | -174.7 | -61 | 178.5 | 1.1 | 0 | 0 | 112.2 | R261 K271 | R261-Q266 PolarHBondContact O-NE2 3.45Å; Q266-K271 VanDerWaalsContact CB-CE 3.41Å; Q266-K271 HydrophobicContact CB-CG 4.37Å; Q266-K271 VanDerWaalsContact OE1-NZ 3.17Å | ||
| 267 | S | 62.3 | Low | 61.2 | Low | 54 Ų | 54 | 78.7 Ų | 78.7 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | trans | -74.5 | 153.5 | 164.8 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | E269 S270 K271 | S267-E269 PolarHBondContact O-N 3.49Å; S267-S270 PolarHBondContact N-OG 2.87Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 VanDerWaalsContact O-N 3.09Å; S267-S270 PolarHBondContact O-OG 2.88Å; S267-S270 WeakPolarHBondContact OG-CB 3.41Å; S267-S270 PolarHBondContact OG-N 3.46Å; S267-S270 VanDerWaalsContact OG-N 3.16Å; S267-S270 PolarHBondContact OG-OG 3.06Å; S267-K271 PolarHBondContact O-N 3.02Å; S267-K271 VanDerWaalsContact O-N 3.12Å | ||
| 268 | P | 63.5 | Low | 61.2 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.2 | -39.1 | 175.3 | -26.2 | 34.8 | 0 | 0 | 0 | 113.5 | K271 K272 | P268-K271 PolarHBondContact O-N 3.48Å; P268-K272 PolarHBondContact O-N 2.99Å; P268-K272 VanDerWaalsContact O-N 3.17Å |
| 269 | E | 62.8 | Low | 61.5 | Low | 159 Ų | 159 | 73.4 Ų | 73.4 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 175.8 | -63.9 | 166.4 | 175.6 | 0 | 0 | 111.9 | S267 K271 K272 L273 | S267-E269 PolarHBondContact O-N 3.49Å; E269-K271 VanDerWaalsContact C-N 3.3Å; E269-K271 PolarHBondContact O-N 2.95Å; E269-K272 PolarHBondContact O-N 3Å; E269-L273 PolarHBondContact O-N 2.81Å |
| 270 | S | 58.8 | Low | 62.1 | Low | 17 Ų | 17 | 67.2 Ų | 67.2 | 12% | 0.119 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 177.9 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | S267 V274 | S267-S270 PolarHBondContact N-OG 2.87Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 VanDerWaalsContact O-N 3.09Å; S267-S270 PolarHBondContact O-OG 2.88Å; S267-S270 WeakPolarHBondContact OG-CB 3.41Å; S267-S270 PolarHBondContact OG-N 3.46Å; S267-S270 VanDerWaalsContact OG-N 3.16Å; S267-S270 PolarHBondContact OG-OG 3.06Å; S270-V274 VanDerWaalsContact O-CG2 3.25Å; S270-V274 WeakPolarHBondContact O-CG2 3.13Å; S270-V274 PolarHBondContact O-N 3.18Å |
| 271 | K | 65.6 | Low | 62.6 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 175 | -68 | 179.4 | -177.5 | -166.7 | 0 | 111.6 | Q266 S267 P268 E269 L273 V274 S275 | Q266-K271 VanDerWaalsContact CB-CE 3.41Å; Q266-K271 HydrophobicContact CB-CG 4.37Å; Q266-K271 VanDerWaalsContact OE1-NZ 3.17Å; S267-K271 PolarHBondContact O-N 3.02Å; S267-K271 VanDerWaalsContact O-N 3.12Å; P268-K271 PolarHBondContact O-N 3.48Å; E269-K271 VanDerWaalsContact C-N 3.3Å; E269-K271 PolarHBondContact O-N 2.95Å; K271-L273 VanDerWaalsContact C-N 3.31Å; K271-L273 PolarHBondContact O-N 3.42Å; K271-V274 PolarHBondContact O-N 3.17Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-S275 PolarHBondContact O-N 3.39Å |
| 272 | K | 66.7 | Low | 63.2 | Low | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.1 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.2 | -67.6 | 175 | -173.2 | 174.2 | 0 | 111.4 | G16 F17 D175 F177 P268 E269 S275 L276 | G16-K272 WeakPolarHBondContact O-CE 3.45Å; G16-K272 PolarHBondContact O-NZ 2.91Å; F17-K272 HydrophobicContact CD1-CB 4.38Å; F17-K272 HydrophobicContact CE1-CB 4.07Å; D175-K272 WeakPolarHBondContact O-CE 3.5Å; D175-K272 WeakPolarHBondContact OD1-CE 3.21Å; D175-K272 IonicContact OD1-NZ 2.75Å; D175-K272 PolarHBondContact OD1-NZ 2.78Å; F177-K272 HydrophobicContact CD1-CB 4.33Å; F177-K272 HydrophobicContact CD1-CG 4.27Å; F177-K272 HydrophobicContact CE1-CB 4.24Å; P268-K272 PolarHBondContact O-N 2.99Å; P268-K272 VanDerWaalsContact O-N 3.17Å; E269-K272 PolarHBondContact O-N 3Å; K272-S275 PolarHBondContact O-N 3.29Å; K272-L276 WeakPolarHBondContact O-CG 3.26Å; K272-L276 PolarHBondContact O-N 3.02Å |
| 273 | L | 63.7 | Low | 64.3 | Low | 115 Ų | 115 | 55.7 Ų | 55.7 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.9 | -42.7 | 176.8 | -173.2 | 66.3 | 0 | 0 | 0 | 112.9 | E269 K271 S275 L276 S277 | E269-L273 PolarHBondContact O-N 2.81Å; K271-L273 VanDerWaalsContact C-N 3.31Å; K271-L273 PolarHBondContact O-N 3.42Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.48Å; L273-L276 WeakPolarHBondContact O-CB 3.42Å; L273-L276 PolarHBondContact O-N 3.34Å; L273-S277 PolarHBondContact O-N 2.88Å; L273-S277 VanDerWaalsContact O-N 3.1Å |
| 274 | V | 66.1 | Low | 65.4 | Low | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | T258 S270 K271 S277 Y278 | T258-V274 HydrophobicContact CG2-CG1 4.07Å; T258-V274 WeakPolarHBondContact OG1-CG1 3.27Å; S270-V274 VanDerWaalsContact O-CG2 3.25Å; S270-V274 WeakPolarHBondContact O-CG2 3.13Å; S270-V274 PolarHBondContact O-N 3.18Å; K271-V274 PolarHBondContact O-N 3.17Å; V274-S277 WeakPolarHBondContact O-CB 3.38Å; V274-S277 PolarHBondContact O-N 3.37Å; V274-S277 VanDerWaalsContact O-N 3.12Å; V274-S277 PolarHBondContact O-OG 3.48Å; V274-Y278 VanDerWaalsContact O-CD1 3.27Å; V274-Y278 WeakPolarHBondContact O-CD1 3.38Å; V274-Y278 PolarHBondContact O-N 3.01Å |
| 275 | S | 67.8 | Low | 66.7 | Low | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 175.9 | -170.3 | 0 | 0 | 0 | 0 | 113.7 | H176 F178 K271 K272 L273 S277 Y278 T279 | H176-S275 PolarHBondContact CE1-OG 3.43Å; F178-S275 WeakPolarHBondContact CE1-OG 3.35Å; F178-S275 VanDerWaalsContact CZ-OG 3.26Å; F178-S275 WeakPolarHBondContact CZ-OG 3.34Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-S275 PolarHBondContact O-N 3.39Å; K272-S275 PolarHBondContact O-N 3.29Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.48Å; S275-S277 PolarHBondContact O-N 3.44Å; S275-Y278 WeakPolarHBondContact CB-OH 3Å; S275-Y278 PolarHBondContact O-N 3Å; S275-Y278 VanDerWaalsContact OG-CZ 3.31Å; S275-Y278 PolarHBondContact OG-OH 2.78Å; S275-T279 WeakPolarHBondContact O-CB 3.21Å; S275-T279 WeakPolarHBondContact O-CG2 3.25Å; S275-T279 PolarHBondContact O-N 2.8Å; S275-T279 PolarHBondContact O-OG1 3.28Å |
| 276 | L | 68.8 | Low | 67.8 | Low | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -36.6 | 171 | -80.9 | 172 | 0 | 0 | 0 | 112.7 | F17 F31 M81 F177 K272 L273 Y278 V280 I281 | F17-L276 HydrophobicContact CD1-CD1 4.41Å; F17-L276 HydrophobicContact CE1-CD1 3.45Å; F17-L276 VanDerWaalsContact CE1-CD1 3.45Å; F17-L276 HydrophobicContact CE1-CD2 4.25Å; F17-L276 HydrophobicContact CE1-CG 3.84Å; F17-L276 HydrophobicContact CZ-CD1 3.79Å; F17-L276 HydrophobicContact CZ-CD2 3.7Å; F17-L276 HydrophobicContact CZ-CG 3.79Å; F31-L276 HydrophobicContact CD1-CD2 4.49Å; F31-L276 HydrophobicContact CE1-CD1 4.38Å; F31-L276 HydrophobicContact CE1-CD2 3.47Å; F31-L276 VanDerWaalsContact CE1-CD2 3.47Å; F31-L276 HydrophobicContact CZ-CD1 3.99Å; F31-L276 HydrophobicContact CZ-CD2 3.56Å; F31-L276 HydrophobicContact CZ-CG 4.43Å; M81-L276 HydrophobicContact SD-CD2 4.44Å; F177-L276 HydrophobicContact CE1-CG 4.29Å; F177-L276 HydrophobicContact CE2-CD2 4.15Å; F177-L276 HydrophobicContact CZ-CD2 3.99Å; F177-L276 HydrophobicContact CZ-CG 3.97Å; K272-L276 WeakPolarHBondContact O-CG 3.26Å; K272-L276 PolarHBondContact O-N 3.02Å; L273-L276 WeakPolarHBondContact O-CB 3.42Å; L273-L276 PolarHBondContact O-N 3.34Å; L276-Y278 PolarHBondContact O-N 2.91Å; L276-V280 HydrophobicContact CD2-CB 4.26Å; L276-V280 HydrophobicContact CD2-CG2 3.87Å; L276-V280 WeakPolarHBondContact O-CB 3.44Å; L276-V280 PolarHBondContact O-N 3.33Å; L276-I281 PolarHBondContact O-N 2.98Å |
| 277 | S | 67.8 | Low | 68.6 | Low | 22 Ų | 22 | 39.2 Ų | 39.2 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -61.5 | -44.5 | -178.3 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | L273 V274 S275 I281 T282 | L273-S277 PolarHBondContact O-N 2.88Å; L273-S277 VanDerWaalsContact O-N 3.1Å; V274-S277 WeakPolarHBondContact O-CB 3.38Å; V274-S277 PolarHBondContact O-N 3.37Å; V274-S277 VanDerWaalsContact O-N 3.12Å; V274-S277 PolarHBondContact O-OG 3.48Å; S275-S277 PolarHBondContact O-N 3.44Å; S277-I281 WeakPolarHBondContact O-CB 3.42Å; S277-I281 PolarHBondContact O-N 3.26Å; S277-T282 PolarHBondContact O-N 3.28Å; S277-T282 PolarHBondContact O-OG1 2.96Å |
| 278 | Y | 68.8 | Low | 69.2 | Low | 40 Ų | 40 | 39.7 Ų | 39.7 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -87.6 | -27.3 | 179.4 | 66.6 | -110.2 | 0 | 0 | 0 | 113.5 | F104 F178 T258 V274 S275 L276 | F104-Y278 HydrophobicContact CE2-CD2 4.02Å; F104-Y278 AromaticContact CE2-CE2 3.49Å; F104-Y278 HydrophobicContact CE2-CE2 3.49Å; F104-Y278 VanDerWaalsContact CE2-CE2 3.49Å; F104-Y278 HydrophobicContact CZ-CD2 4.13Å; F104-Y278 AromaticContact CZ-CE2 3.45Å; F104-Y278 HydrophobicContact CZ-CE2 3.45Å; F104-Y278 VanDerWaalsContact CZ-CE2 3.45Å; F178-Y278 HydrophobicContact CZ-CE2 4.38Å; T258-Y278 HydrophobicContact CG2-CE1 4.19Å; V274-Y278 VanDerWaalsContact O-CD1 3.27Å; V274-Y278 WeakPolarHBondContact O-CD1 3.38Å; V274-Y278 PolarHBondContact O-N 3.01Å; S275-Y278 WeakPolarHBondContact CB-OH 3Å; S275-Y278 PolarHBondContact O-N 3Å; S275-Y278 VanDerWaalsContact OG-CZ 3.31Å; S275-Y278 PolarHBondContact OG-OH 2.78Å; L276-Y278 PolarHBondContact O-N 2.91Å |
| 279 | T | 67.3 | Low | 70 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -86.7 | -26.8 | -178.6 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | F73 F104 F178 S275 | F73-T279 HydrophobicContact CZ-CG2 4.32Å; F104-T279 HydrophobicContact CE2-CG2 4.13Å; F178-T279 HydrophobicContact CE1-CG2 3.65Å; F178-T279 HydrophobicContact CZ-CG2 3.76Å; S275-T279 WeakPolarHBondContact O-CB 3.21Å; S275-T279 WeakPolarHBondContact O-CG2 3.25Å; S275-T279 PolarHBondContact O-N 2.8Å; S275-T279 PolarHBondContact O-OG1 3.28Å |
| 280 | V | 70 | Confident | 70.5 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -127.3 | -47.2 | -170.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | F31 I34 V78 M81 L276 M284 | F31-V280 HydrophobicContact CD1-CG1 4.28Å; I34-V280 HydrophobicContact CB-CG1 4.37Å; I34-V280 HydrophobicContact CD1-CG1 4.28Å; I34-V280 HydrophobicContact CG2-CG1 3.52Å; V78-V280 HydrophobicContact CG2-CG2 4.47Å; M81-V280 HydrophobicContact CE-CG2 4.29Å; L276-V280 HydrophobicContact CD2-CB 4.26Å; L276-V280 HydrophobicContact CD2-CG2 3.87Å; L276-V280 WeakPolarHBondContact O-CB 3.44Å; L276-V280 PolarHBondContact O-N 3.33Å; V280-M284 WeakPolarHBondContact O-CB 3.32Å; V280-M284 PolarHBondContact O-N 3.38Å |
| 281 | I | 71.2 | Confident | 71 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -76.5 | -48.2 | -172.1 | -57.1 | 178.6 | 0 | 0 | 0 | 111.5 | L276 S277 M284 L285 | L276-I281 PolarHBondContact O-N 2.98Å; S277-I281 WeakPolarHBondContact O-CB 3.42Å; S277-I281 PolarHBondContact O-N 3.26Å; I281-M284 WeakPolarHBondContact O-CB 3.4Å; I281-M284 PolarHBondContact O-N 3.38Å; I281-L285 HydrophobicContact CG2-CD1 3.88Å; I281-L285 HydrophobicContact CG2-CG 4.29Å; I281-L285 WeakPolarHBondContact O-CG 3.3Å; I281-L285 PolarHBondContact O-N 3.49Å |
| 282 | T | 73.4 | Confident | 70.7 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -50.1 | 179.6 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | F251 S277 M284 L285 N286 | F251-T282 HydrophobicContact CB-CG2 4.43Å; F251-T282 HydrophobicContact CD2-CG2 4.41Å; S277-T282 PolarHBondContact O-N 3.28Å; S277-T282 PolarHBondContact O-OG1 2.96Å; T282-M284 VanDerWaalsContact C-N 3.27Å; T282-M284 PolarHBondContact O-N 3.03Å; T282-L285 PolarHBondContact O-N 3.31Å; T282-L285 VanDerWaalsContact O-N 3.1Å; T282-N286 PolarHBondContact O-N 3.28Å |
| 283 | P | 73.5 | Confident | 70.6 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.3 | -39.5 | 172.7 | -33.6 | 39.7 | 0 | 0 | 0 | 114.6 | T38 E70 F73 P287 | T38-P283 HydrophobicContact CG2-CB 4Å; E70-P283 WeakPolarHBondContact OE2-CA 3.3Å; E70-P283 WeakPolarHBondContact OE2-CB 3.34Å; E70-P283 VanDerWaalsContact OE2-CG 3.28Å; E70-P283 WeakPolarHBondContact OE2-CG 3.39Å; F73-P283 HydrophobicContact CD1-CG 4.2Å; F73-P283 HydrophobicContact CE1-CG 4.16Å; P283-P287 WeakPolarHBondContact O-CD 3.46Å |
| 284 | M | 76.9 | Confident | 70.7 | Confident | 43 Ų | 43 | 33.4 Ų | 33.4 | 21% | 0.212 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 179.1 | -174.6 | -162.2 | 71.9 | 0 | 0 | 112.2 | I34 T38 V280 I281 T282 | I34-M284 HydrophobicContact CB-SD 4.42Å; I34-M284 HydrophobicContact CG1-SD 4.11Å; I34-M284 HydrophobicContact CG2-CB 4.13Å; I34-M284 HydrophobicContact CG2-CG 4.06Å; I34-M284 HydrophobicContact CG2-SD 3.77Å; T38-M284 VanDerWaalsContact OG1-CA 3.3Å; T38-M284 WeakPolarHBondContact OG1-CA 3.29Å; T38-M284 VanDerWaalsContact OG1-CB 3.31Å; T38-M284 WeakPolarHBondContact OG1-CB 3.3Å; V280-M284 WeakPolarHBondContact O-CB 3.32Å; V280-M284 PolarHBondContact O-N 3.38Å; I281-M284 WeakPolarHBondContact O-CB 3.4Å; I281-M284 PolarHBondContact O-N 3.38Å; T282-M284 VanDerWaalsContact C-N 3.27Å; T282-M284 PolarHBondContact O-N 3.03Å |
| 285 | L | 74.2 | Confident | 70.9 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -74.9 | -27.8 | -178.4 | -68.3 | 175.3 | 0 | 0 | 0 | 112.4 | L250 I281 T282 I288 I289 | L250-L285 HydrophobicContact CD1-CB 4.38Å; L250-L285 HydrophobicContact CD1-CD1 3.98Å; I281-L285 HydrophobicContact CG2-CD1 3.88Å; I281-L285 HydrophobicContact CG2-CG 4.29Å; I281-L285 WeakPolarHBondContact O-CG 3.3Å; I281-L285 PolarHBondContact O-N 3.49Å; T282-L285 PolarHBondContact O-N 3.31Å; T282-L285 VanDerWaalsContact O-N 3.1Å; L285-I288 WeakPolarHBondContact O-CB 3.22Å; L285-I288 PolarHBondContact O-N 3.18Å; L285-I288 VanDerWaalsContact O-N 3.11Å; L285-I289 HydrophobicContact CB-CD1 3.97Å; L285-I289 WeakPolarHBondContact O-CD1 3.5Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 3.34Å |
| 286 | N | 77.6 | Confident | 70.9 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.2 | -52 | -177.2 | -79 | -9.9 | 0 | 0 | 0 | 112.6 | E70 V247 T282 I288 I289 Y290 | E70-N286 PolarHBondContact OE1-ND2 3.21Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.17Å; T282-N286 PolarHBondContact O-N 3.28Å; N286-I288 VanDerWaalsContact C-N 3.32Å; N286-I288 PolarHBondContact O-N 2.89Å; N286-I289 PolarHBondContact O-N 3.22Å; N286-Y290 VanDerWaalsContact O-CD2 3.24Å; N286-Y290 WeakPolarHBondContact O-CD2 3.32Å; N286-Y290 PolarHBondContact O-N 3.44Å; N286-Y290 VanDerWaalsContact O-N 3.08Å |
| 287 | P | 73.5 | Confident | 70.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 175.3 | -26.4 | 33.7 | 0 | 0 | 0 | 114.5 | N42 I45 P283 S291 | N42-P287 HydrophobicContact CB-CG 4.42Å; N42-P287 VanDerWaalsContact ND2-CG 3.27Å; N42-P287 WeakPolarHBondContact ND2-CG 3.35Å; I45-P287 HydrophobicContact CD1-CB 3.84Å; I45-P287 HydrophobicContact CD1-CG 4.43Å; P283-P287 WeakPolarHBondContact O-CD 3.46Å; P287-S291 WeakPolarHBondContact O-CB 3.22Å; P287-S291 PolarHBondContact O-N 2.88Å; P287-S291 PolarHBondContact O-OG 3.31Å |
| 288 | I | 75.3 | Confident | 71.2 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.5 | -45.4 | -179 | -62.1 | 177.3 | 0 | 0 | 0 | 109.7 | L285 N286 S291 L292 | L285-I288 WeakPolarHBondContact O-CB 3.22Å; L285-I288 PolarHBondContact O-N 3.18Å; L285-I288 VanDerWaalsContact O-N 3.11Å; N286-I288 VanDerWaalsContact C-N 3.32Å; N286-I288 PolarHBondContact O-N 2.89Å; I288-S291 PolarHBondContact O-N 3.11Å; I288-L292 HydrophobicContact CG2-CD1 3.52Å; I288-L292 HydrophobicContact CG2-CG 4.08Å; I288-L292 VanDerWaalsContact O-CB 3.24Å; I288-L292 WeakPolarHBondContact O-CB 3.38Å; I288-L292 PolarHBondContact O-N 3.4Å |
| 289 | I | 80.4 | Confident | 71.5 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.108 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | -179.5 | -66.2 | 158.8 | 0 | 0 | 0 | 110.7 | I246 V247 L250 L285 N286 R293 | I246-I289 HydrophobicContact CB-CG2 4.38Å; I246-I289 HydrophobicContact CG2-CD1 3.82Å; I246-I289 HydrophobicContact CG2-CG1 4.27Å; I246-I289 HydrophobicContact CG2-CG2 4.35Å; V247-I289 HydrophobicContact CG2-CB 4.21Å; V247-I289 HydrophobicContact CG2-CD1 4.06Å; V247-I289 HydrophobicContact CG2-CG2 3.83Å; L250-I289 HydrophobicContact CD1-CD1 3.47Å; L250-I289 VanDerWaalsContact CD1-CD1 3.47Å; L285-I289 HydrophobicContact CB-CD1 3.97Å; L285-I289 WeakPolarHBondContact O-CD1 3.5Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 3.34Å; N286-I289 PolarHBondContact O-N 3.22Å; I289-R293 VanDerWaalsContact O-CB 3.29Å; I289-R293 WeakPolarHBondContact O-CB 3.25Å |
| 290 | Y | 73.9 | Confident | 71.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76 | -27.9 | -179.3 | -74.3 | -67.4 | 0 | 0 | 0 | 113.8 | M59 L63 L66 M118 H244 V247 N286 N294 | M59-Y290 HydrophobicContact CE-CE1 4.21Å; L63-Y290 HydrophobicContact CD1-CD1 3.83Å; L63-Y290 HydrophobicContact CD1-CD2 3.37Å; L63-Y290 HydrophobicContact CD1-CE1 4.03Å; L63-Y290 HydrophobicContact CD1-CE2 3.59Å; L63-Y290 HydrophobicContact CD1-CG 3.51Å; L63-Y290 HydrophobicContact CD2-CD1 4.1Å; L63-Y290 HydrophobicContact CD2-CG 4.07Å; L63-Y290 HydrophobicContact CG-CG 4.46Å; L66-Y290 HydrophobicContact CD2-CE2 4.1Å; M118-Y290 HydrophobicContact CE-CE1 4.03Å; M118-Y290 VanDerWaalsContact CE-OH 3.27Å; M118-Y290 WeakPolarHBondContact CE-OH 3.35Å; H244-Y290 PolarHBondContact CD2-OH 3.24Å; V247-Y290 HydrophobicContact CB-CE2 4.28Å; V247-Y290 HydrophobicContact CG1-CE2 4.27Å; V247-Y290 HydrophobicContact CG2-CD2 4.16Å; V247-Y290 HydrophobicContact CG2-CE2 3.43Å; V247-Y290 VanDerWaalsContact CG2-CE2 3.43Å; N286-Y290 VanDerWaalsContact O-CD2 3.24Å; N286-Y290 WeakPolarHBondContact O-CD2 3.32Å; N286-Y290 PolarHBondContact O-N 3.44Å; N286-Y290 VanDerWaalsContact O-N 3.08Å; Y290-N294 WeakPolarHBondContact O-CB 3.39Å |
| 291 | S | 68.4 | Low | 72 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -92.2 | -47 | -179.9 | 68.4 | 0 | 0 | 0 | 0 | 114 | P287 I288 K298 | P287-S291 WeakPolarHBondContact O-CB 3.22Å; P287-S291 PolarHBondContact O-N 2.88Å; P287-S291 PolarHBondContact O-OG 3.31Å; I288-S291 PolarHBondContact O-N 3.11Å; S291-K298 VanDerWaalsContact O-CG 3.27Å; S291-K298 WeakPolarHBondContact O-CG 3.44Å |
| 292 | L | 60.6 | Low | 72.3 | Confident | 111 Ų | 111 | 50.6 Ų | 50.6 | 58% | 0.581 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -78.9 | -20.4 | -174.8 | -64.3 | -173.3 | 0 | 0 | 0 | 113.3 | I288 K298 | I288-L292 HydrophobicContact CG2-CD1 3.52Å; I288-L292 HydrophobicContact CG2-CG 4.08Å; I288-L292 VanDerWaalsContact O-CB 3.24Å; I288-L292 WeakPolarHBondContact O-CB 3.38Å; I288-L292 PolarHBondContact O-N 3.4Å; L292-K298 VanDerWaalsContact C-CE 3.4Å; L292-K298 WeakPolarHBondContact O-CE 3.25Å; L292-K298 PolarHBondContact O-NZ 3.04Å |
| 293 | R | 63.5 | Low | 72.5 | Confident | 151 Ų | 151 | 55.5 Ų | 55.5 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -101 | -17.2 | 179.6 | -151.6 | 167.6 | -179.9 | 152.7 | -2.2 | 113.2 | I289 | I289-R293 VanDerWaalsContact O-CB 3.29Å; I289-R293 WeakPolarHBondContact O-CB 3.25Å |
| 294 | N | 66.9 | Low | 72.7 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | trans | -100.1 | 108 | -178.8 | -165.3 | -25.5 | 0 | 0 | 0 | 111.5 | Y60 Y290 E296 V297 K298 | Y60-N294 PolarHBondContact OH-ND2 2.78Å; Y290-N294 WeakPolarHBondContact O-CB 3.39Å; N294-E296 PolarHBondContact O-N 2.86Å; N294-E296 VanDerWaalsContact OD1-CB 3.31Å; N294-E296 WeakPolarHBondContact OD1-CB 3.38Å; N294-E296 PolarHBondContact OD1-N 3.46Å; N294-V297 HydrophobicContact CB-CB 4.13Å; N294-V297 HydrophobicContact CB-CG2 3.89Å; N294-V297 PolarHBondContact O-N 2.91Å; N294-V297 VanDerWaalsContact O-N 3.15Å; N294-K298 PolarHBondContact O-N 3.46Å | ||
| 295 | N | 69.8 | Low | 72.7 | Confident | 126 Ų | 126 | 60 Ų | 60 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61 | -27.5 | 178.6 | -70 | -28.1 | 0 | 0 | 0 | 112.9 | G299 | N295-G299 PolarHBondContact O-N 3.2Å |
| 296 | E | 67.8 | Low | 72.8 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.4 | -42.8 | 176.5 | -58.9 | -179.7 | 170.3 | 0 | 0 | 110.9 | L55 Y60 N294 G299 A300 | L55-E296 HydrophobicContact CD2-CB 4.06Å; Y60-E296 WeakPolarHBondContact CE2-OE2 3.34Å; Y60-E296 WeakPolarHBondContact OH-CB 3.44Å; Y60-E296 PolarHBondContact OH-OE2 3.27Å; N294-E296 PolarHBondContact O-N 2.86Å; N294-E296 VanDerWaalsContact OD1-CB 3.31Å; N294-E296 WeakPolarHBondContact OD1-CB 3.38Å; N294-E296 PolarHBondContact OD1-N 3.46Å; E296-G299 PolarHBondContact O-N 2.75Å; E296-A300 WeakPolarHBondContact O-CB 3.37Å; E296-A300 PolarHBondContact O-N 2.82Å |
| 297 | V | 69.1 | Low | 72.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 175.6 | 180 | 0 | 0 | 0 | 0 | 110.5 | Y60 N294 G299 A300 V301 | Y60-V297 HydrophobicContact CE1-CG2 3.77Å; N294-V297 HydrophobicContact CB-CB 4.13Å; N294-V297 HydrophobicContact CB-CG2 3.89Å; N294-V297 PolarHBondContact O-N 2.91Å; N294-V297 VanDerWaalsContact O-N 3.15Å; V297-G299 VanDerWaalsContact C-N 3.34Å; V297-G299 PolarHBondContact O-N 2.7Å; V297-A300 PolarHBondContact O-N 3.32Å; V297-V301 HydrophobicContact CG1-CG2 4.43Å; V297-V301 VanDerWaalsContact O-CG2 3.29Å; V297-V301 WeakPolarHBondContact O-CG2 3.35Å; V297-V301 PolarHBondContact O-N 3.3Å |
| 298 | K | 73.8 | Confident | 72.6 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 173.7 | -69.5 | -175.9 | -179.6 | 170.5 | 0 | 112.5 | S291 L292 N294 A300 V301 K302 | S291-K298 VanDerWaalsContact O-CG 3.27Å; S291-K298 WeakPolarHBondContact O-CG 3.44Å; L292-K298 VanDerWaalsContact C-CE 3.4Å; L292-K298 WeakPolarHBondContact O-CE 3.25Å; L292-K298 PolarHBondContact O-NZ 3.04Å; N294-K298 PolarHBondContact O-N 3.46Å; K298-A300 VanDerWaalsContact C-N 3.32Å; K298-A300 PolarHBondContact O-N 3.17Å; K298-V301 PolarHBondContact O-N 3.12Å; K298-K302 PolarHBondContact O-N 3.16Å |
| 299 | G | 74.7 | Confident | 72.5 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | N295 E296 V297 K302 R303 | N295-G299 PolarHBondContact O-N 3.2Å; E296-G299 PolarHBondContact O-N 2.75Å; V297-G299 VanDerWaalsContact C-N 3.34Å; V297-G299 PolarHBondContact O-N 2.7Å; G299-K302 PolarHBondContact O-N 3.09Å; G299-R303 WeakPolarHBondContact O-CG 3.15Å; G299-R303 PolarHBondContact O-N 3.21Å |
| 300 | A | 72.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V48 D52 L55 E296 V297 K298 R303 T304 | V48-A300 HydrophobicContact CG1-CB 3.41Å; V48-A300 VanDerWaalsContact CG1-CB 3.41Å; D52-A300 HydrophobicContact CB-CB 4.05Å; D52-A300 VanDerWaalsContact OD2-CA 3.31Å; D52-A300 WeakPolarHBondContact OD2-CA 3.08Å; D52-A300 WeakPolarHBondContact OD2-CB 3.27Å; L55-A300 HydrophobicContact CD1-CB 3.39Å; L55-A300 HydrophobicContact CG-CB 4.02Å; E296-A300 WeakPolarHBondContact O-CB 3.37Å; E296-A300 PolarHBondContact O-N 2.82Å; V297-A300 PolarHBondContact O-N 3.32Å; K298-A300 VanDerWaalsContact C-N 3.32Å; K298-A300 PolarHBondContact O-N 3.17Å; A300-R303 PolarHBondContact O-N 3.4Å; A300-T304 VanDerWaalsContact O-CB 3.31Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 PolarHBondContact O-N 3.42Å; A300-T304 PolarHBondContact O-OG1 3.39Å |
| 301 | V | 74.8 | Confident | 71.8 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57 | -53.2 | 171.2 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | L44 V48 V297 K298 R303 T304 F305 | L44-V301 HydrophobicContact CD2-CG2 4.28Å; L44-V301 HydrophobicContact CG-CG2 4.5Å; V48-V301 HydrophobicContact CG1-CG2 4.43Å; V48-V301 HydrophobicContact CG2-CG2 3.98Å; V297-V301 HydrophobicContact CG1-CG2 4.43Å; V297-V301 VanDerWaalsContact O-CG2 3.29Å; V297-V301 WeakPolarHBondContact O-CG2 3.35Å; V297-V301 PolarHBondContact O-N 3.3Å; K298-V301 PolarHBondContact O-N 3.12Å; V301-R303 PolarHBondContact O-N 3.49Å; V301-T304 PolarHBondContact O-N 3.14Å; V301-T304 VanDerWaalsContact O-N 3.16Å; V301-F305 HydrophobicContact CG1-CD2 3.71Å; V301-F305 HydrophobicContact CG1-CE2 3.79Å; V301-F305 WeakPolarHBondContact O-CD2 3.48Å; V301-F305 PolarHBondContact O-N 3.32Å |
| 302 | K | 77.6 | Confident | 71.7 | Confident | 156 Ų | 156 | 92.1 Ų | 92.1 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.5 | -49.5 | 179.1 | -169.8 | 178.4 | -178.4 | -179.5 | 0 | 111.7 | K298 G299 T304 F305 T306 | K298-K302 PolarHBondContact O-N 3.16Å; G299-K302 PolarHBondContact O-N 3.09Å; K302-T304 PolarHBondContact O-N 3.01Å; K302-F305 PolarHBondContact O-N 3.17Å; K302-T306 PolarHBondContact O-N 2.03Å; K302-T306 PolarHBondContact O-OG1 3.16Å |
| 303 | R | 78.8 | Confident | 71.9 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.1 | -73.5 | -173.1 | -62.1 | -96.6 | 3.5 | 112.9 | D52 G299 A300 V301 T306 R307 | D52-R303 IonicContact OD1-NH2 2.72Å; D52-R303 IonicContact OD2-CZ 3.7Å; D52-R303 VanDerWaalsContact OD2-CZ 3.28Å; D52-R303 IonicContact OD2-NE 2.94Å; D52-R303 PolarHBondContact OD2-NE 2.8Å; D52-R303 IonicContact OD2-NH2 2.59Å; D52-R303 PolarHBondContact OD2-NH2 3.32Å; G299-R303 WeakPolarHBondContact O-CG 3.15Å; G299-R303 PolarHBondContact O-N 3.21Å; A300-R303 PolarHBondContact O-N 3.4Å; V301-R303 PolarHBondContact O-N 3.49Å; R303-T306 PolarHBondContact O-N 3.43Å; R303-R307 WeakPolarHBondContact O-CB 3.4Å; R303-R307 WeakPolarHBondContact O-CG 3Å; R303-R307 PolarHBondContact O-N 2.9Å |
| 304 | T | 75.7 | Confident | 71.9 | Confident | 18 Ų | 18 | 90.8 Ų | 90.8 | 11% | 0.11 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | -179.4 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V51 A300 V301 K302 R307 K308 | V51-T304 HydrophobicContact CG2-CG2 3.99Å; A300-T304 VanDerWaalsContact O-CB 3.31Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 PolarHBondContact O-N 3.42Å; A300-T304 PolarHBondContact O-OG1 3.39Å; V301-T304 PolarHBondContact O-N 3.14Å; V301-T304 VanDerWaalsContact O-N 3.16Å; K302-T304 PolarHBondContact O-N 3.01Å; T304-R307 PolarHBondContact O-N 3.28Å; T304-K308 WeakPolarHBondContact O-CG 3.12Å; T304-K308 PolarHBondContact O-N 3.36Å |
| 305 | F | 78.9 | Confident | 71.7 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 173.6 | -86.6 | -83.5 | 0 | 0 | 0 | 111.5 | L44 V301 K302 R307 K308 V309 | L44-F305 HydrophobicContact CD1-CE2 4.45Å; V301-F305 HydrophobicContact CG1-CD2 3.71Å; V301-F305 HydrophobicContact CG1-CE2 3.79Å; V301-F305 WeakPolarHBondContact O-CD2 3.48Å; V301-F305 PolarHBondContact O-N 3.32Å; K302-F305 PolarHBondContact O-N 3.17Å; F305-R307 PolarHBondContact O-N 2.94Å; F305-K308 PolarHBondContact O-N 3.06Å; F305-V309 WeakPolarHBondContact O-CG2 3.48Å; F305-V309 PolarHBondContact O-N 2.82Å |
| 306 | T | 75.8 | Confident | 71.1 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 45% | 0.454 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | K302 R303 K308 V309 L310 | K302-T306 PolarHBondContact O-N 2.03Å; K302-T306 PolarHBondContact O-OG1 3.16Å; R303-T306 PolarHBondContact O-N 3.43Å; T306-K308 PolarHBondContact O-N 2.98Å; T306-V309 PolarHBondContact O-N 2.99Å; T306-L310 HydrophobicContact CG2-CD1 3.89Å; T306-L310 HydrophobicContact CG2-CG 4.38Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 WeakPolarHBondContact O-CG 3.08Å; T306-L310 PolarHBondContact O-N 3.35Å |
| 307 | R | 74.3 | Confident | 71.2 | Confident | 147 Ų | 147 | 96.4 Ų | 96.4 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 176.5 | -80.3 | -178.9 | 175.9 | 175.6 | -1 | 112.8 | R303 T304 F305 K311 | R303-R307 WeakPolarHBondContact O-CB 3.4Å; R303-R307 WeakPolarHBondContact O-CG 3Å; R303-R307 PolarHBondContact O-N 2.9Å; T304-R307 PolarHBondContact O-N 3.28Å; F305-R307 PolarHBondContact O-N 2.94Å; R307-K311 WeakPolarHBondContact O-CB 3.42Å; R307-K311 WeakPolarHBondContact O-CG 3.47Å; R307-K311 PolarHBondContact O-N 2.97Å |
| 308 | K | 72.1 | Confident | 71.3 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 176.8 | -79.3 | -173.7 | 177.5 | -176.1 | 0 | 111.9 | T304 F305 T306 K312 | T304-K308 WeakPolarHBondContact O-CG 3.12Å; T304-K308 PolarHBondContact O-N 3.36Å; F305-K308 PolarHBondContact O-N 3.06Å; T306-K308 PolarHBondContact O-N 2.98Å; K308-K312 WeakPolarHBondContact O-CB 3.3Å; K308-K312 PolarHBondContact O-N 3.05Å; K308-K312 VanDerWaalsContact O-N 3.13Å |
| 309 | V | 73 | Confident | 71.2 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | F305 T306 K311 K312 L313 | F305-V309 WeakPolarHBondContact O-CG2 3.48Å; F305-V309 PolarHBondContact O-N 2.82Å; T306-V309 PolarHBondContact O-N 2.99Å; V309-K311 PolarHBondContact O-N 3.28Å; V309-K312 PolarHBondContact O-N 2.69Å; V309-K312 VanDerWaalsContact O-N 3.1Å; V309-L313 HydrophobicContact CG1-CD1 3.87Å; V309-L313 PolarHBondContact O-N 3.45Å |
| 310 | L | 68.4 | Low | 71 | Confident | 90 Ų | 90 | 106.1 Ų | 106.1 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.8 | -73 | 169.3 | 0 | 0 | 0 | 111.8 | T306 K312 L313 D314 | T306-L310 HydrophobicContact CG2-CD1 3.89Å; T306-L310 HydrophobicContact CG2-CG 4.38Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 WeakPolarHBondContact O-CG 3.08Å; T306-L310 PolarHBondContact O-N 3.35Å; L310-K312 PolarHBondContact O-N 3.03Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.06Å; L310-L313 VanDerWaalsContact O-N 3.07Å; L310-D314 VanDerWaalsContact O-CG 3.3Å; L310-D314 PolarHBondContact O-N 2.61Å |
| 311 | K | 70.4 | Confident | 70.9 | Confident | 161 Ų | 161 | 112.8 Ų | 112.8 | 70% | 0.7 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.3 | -28.3 | 175.4 | -77.4 | -171.5 | 175.9 | -165.8 | 0 | 114.1 | R307 V309 A315 | R307-K311 WeakPolarHBondContact O-CB 3.42Å; R307-K311 WeakPolarHBondContact O-CG 3.47Å; R307-K311 PolarHBondContact O-N 2.97Å; V309-K311 PolarHBondContact O-N 3.28Å; K311-A315 WeakPolarHBondContact O-CB 3.26Å |
| 312 | K | 67.4 | Low | 70.6 | Confident | 158 Ų | 158 | 118.1 Ų | 118.1 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.8 | -29.2 | 178.1 | -158.3 | 179.9 | -176.5 | -172.6 | 0 | 111.7 | K308 V309 L310 | K308-K312 WeakPolarHBondContact O-CB 3.3Å; K308-K312 PolarHBondContact O-N 3.05Å; K308-K312 VanDerWaalsContact O-N 3.13Å; V309-K312 PolarHBondContact O-N 2.69Å; V309-K312 VanDerWaalsContact O-N 3.1Å; L310-K312 PolarHBondContact O-N 3.03Å |
| 313 | L | 63.8 | Low | 70.2 | Confident | 102 Ų | 102 | 115.4 Ų | 115.4 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.5 | -38.7 | 172.2 | -76.4 | 159.5 | 0 | 0 | 0 | 111.7 | V309 L310 A315 L316 | V309-L313 HydrophobicContact CG1-CD1 3.87Å; V309-L313 PolarHBondContact O-N 3.45Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.06Å; L310-L313 VanDerWaalsContact O-N 3.07Å; L313-A315 PolarHBondContact O-N 2.74Å; L313-L316 PolarHBondContact O-N 3.4Å |
| 314 | D | 64.4 | Low | 69.5 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.6 | 176.1 | -62.8 | -28.3 | 0 | 0 | 0 | 113.2 | L310 | L310-D314 VanDerWaalsContact O-CG 3.3Å; L310-D314 PolarHBondContact O-N 2.61Å |
| 315 | A | 62.9 | Low | 69 | Low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 1.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K311 L313 | K311-A315 WeakPolarHBondContact O-CB 3.26Å; L313-A315 PolarHBondContact O-N 2.74Å |
| 316 | L | 56.4 | Low | 68.1 | Low | 200 Ų | 200 | 124.4 Ų | 124.4 | 100% | 1.047 | 63% | 0.632 | S | S | * | * | trans | -105.4 | 0 | 174.1 | -83.2 | 161.5 | 0 | 0 | 0 | 109.6 | L313 | L313-L316 PolarHBondContact O-N 3.4Š|
Retrieved 316 of 316 residues in 105.9 ms
(Link to these results)