| 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 | 42.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 82.6 Ų | 82.6 | 85% | 0.847 | 48% | 0.482 | S | S | * | . | 0 | -23.4 | 0 | -100 | 163.9 | 176 | 0 | 0 | 112.8 | S4 | M1-S4 PolarHBondContact O-OG 3.35Š| |||
| 2 | F | 34.7 | Very low | 36.9 | Very low | 89 Ų | 89 | 88.7 Ų | 88.7 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | -176.5 | -80.4 | -117.4 | 0 | 0 | 0 | 115.1 | I6 Y176 I180 | F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 VanDerWaalsContact O-CG1 3.23Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.44Å; F2-Y176 AromaticContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE2-CD1 4.36Å; F2-Y176 HydrophobicContact CE2-CG 4.42Å; F2-Y176 AromaticContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CD1 3.4Å; F2-Y176 VanDerWaalsContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CE1 4.27Å; F2-Y176 AromaticContact CZ-CG 3.65Å; F2-Y176 HydrophobicContact CZ-CG 3.65Å; F2-I180 HydrophobicContact CD1-CD1 3.59Å; F2-I180 HydrophobicContact CE1-CD1 2.97Å; F2-I180 HydrophobicContact CE1-CG1 4.16Å; F2-I180 HydrophobicContact CZ-CD1 3.56Å |
| 3 | R | 34.1 | Very low | 37.2 | Very low | 76 Ų | 76 | 90.3 Ų | 90.3 | 29% | 0.287 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.3 | -21.2 | -174.9 | -128.4 | 177.8 | -176.1 | -124.5 | 6.7 | 114.6 | I6 L7 D69 | R3-I6 PolarHBondContact O-N 2.85Å; R3-L7 HydrophobicContact CB-CD1 4.23Å; R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 HydrophobicContact CG-CG 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.33Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.41Å; R3-D69 IonicContact NH2-OD1 3.72Å; R3-D69 PolarHBondContact NH2-OD1 3.37Å; R3-D69 VanDerWaalsContact NH2-OD1 3.12Å; R3-D69 IonicContact NH2-OD2 2.78Å |
| 4 | S | 34.6 | Very low | 37.4 | Very low | 90 Ų | 90 | 85.8 Ų | 85.8 | 63% | 0.629 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.5 | -30.5 | 175.6 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | M1 S8 | M1-S4 PolarHBondContact O-OG 3.35Å; S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.16Å |
| 5 | S | 37 | Very low | 37.9 | Very low | 68 Ų | 68 | 82.5 Ų | 82.5 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -79.4 | -30.8 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | S8 S9 | S5-S8 PolarHBondContact O-OG 3.38Å; S5-S9 WeakPolarHBondContact O-CB 3.25Å; S5-S9 PolarHBondContact O-N 2.71Å |
| 6 | I | 36.9 | Very low | 38.3 | Very low | 91 Ų | 91 | 82.1 Ų | 82.1 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -81.6 | -35.3 | -179.8 | -63.9 | 166.4 | 0 | 0 | 0 | 111.2 | F2 R3 S9 T10 | F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 VanDerWaalsContact O-CG1 3.23Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.44Å; R3-I6 PolarHBondContact O-N 2.85Å; I6-S9 CarbonylContact O-C 3.53Å; I6-S9 WeakPolarHBondContact O-CA 3.43Å; I6-S9 WeakPolarHBondContact O-CB 3.46Å; I6-S9 PolarHBondContact O-N 3.31Å; I6-S9 VanDerWaalsContact O-N 3.08Å; I6-T10 PolarHBondContact O-N 2.84Å |
| 7 | L | 32.1 | Very low | 38.8 | Very low | 90 Ų | 90 | 82.1 Ų | 82.1 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.7 | -25.1 | 173.3 | -75.4 | 158.4 | 0 | 0 | 0 | 113.1 | R3 T10 | R3-L7 HydrophobicContact CB-CD1 4.23Å; R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 HydrophobicContact CG-CG 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.33Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.41Å; L7-T10 WeakPolarHBondContact CA-OG1 3.41Å; L7-T10 PolarHBondContact O-OG1 2.92Å |
| 8 | S | 37.5 | Very low | 39.2 | Very low | 78 Ų | 78 | 87.2 Ų | 87.2 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.1 | -24 | 163.4 | 98.8 | 0 | 0 | 0 | 0 | 111.3 | S4 S5 | S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.16Å; S5-S8 PolarHBondContact O-OG 3.38Å |
| 9 | S | 36.1 | Very low | 39.5 | Very low | 30 Ų | 30 | 87.3 Ų | 87.3 | 21% | 0.21 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -80.3 | -29.6 | 175 | -162.2 | 0 | 0 | 0 | 0 | 112.5 | S5 I6 G11 K12 Y13 | S5-S9 WeakPolarHBondContact O-CB 3.25Å; S5-S9 PolarHBondContact O-N 2.71Å; I6-S9 CarbonylContact O-C 3.53Å; I6-S9 WeakPolarHBondContact O-CA 3.43Å; I6-S9 WeakPolarHBondContact O-CB 3.46Å; I6-S9 PolarHBondContact O-N 3.31Å; I6-S9 VanDerWaalsContact O-N 3.08Å; S9-G11 PolarHBondContact O-N 2.87Å; S9-K12 CarbonylContact O-C 3.39Å; S9-K12 WeakPolarHBondContact O-CA 3.33Å; S9-K12 WeakPolarHBondContact O-CB 3.4Å; S9-K12 PolarHBondContact O-N 3.32Å; S9-Y13 VanDerWaalsContact C-CD2 3.48Å; S9-Y13 WeakPolarHBondContact O-CD2 3.5Å; S9-Y13 PolarHBondContact O-N 3.2Å; S9-Y13 WeakPolarHBondContact OG-CE2 3.39Å |
| 10 | T | 37.2 | Very low | 39.8 | Very low | 74 Ų | 74 | 87.4 Ų | 87.4 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -29.7 | 173.2 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | I6 L7 G14 | I6-T10 PolarHBondContact O-N 2.84Å; L7-T10 WeakPolarHBondContact CA-OG1 3.41Å; L7-T10 PolarHBondContact O-OG1 2.92Å; T10-G14 PolarHBondContact O-N 2.83Å |
| 11 | G | 36.7 | Very low | 40.1 | Very low | 51 Ų | 51 | 90 Ų | 90 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114 | S9 | S9-G11 PolarHBondContact O-N 2.87Å |
| 12 | K | 43.2 | Very low | 39.9 | Very low | 155 Ų | 155 | 87.4 Ų | 87.4 | 67% | 0.674 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -77.4 | -37.5 | 174.7 | -67.7 | -173.2 | 174.6 | -171.2 | 0 | 112.3 | S9 G14 A15 Y16 | S9-K12 CarbonylContact O-C 3.39Å; S9-K12 WeakPolarHBondContact O-CA 3.33Å; S9-K12 WeakPolarHBondContact O-CB 3.4Å; S9-K12 PolarHBondContact O-N 3.32Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 3.27Å; K12-A15 VanDerWaalsContact O-CB 3.32Å; K12-A15 WeakPolarHBondContact O-CB 3.48Å; K12-A15 PolarHBondContact O-N 3.45Å; K12-Y16 PolarHBondContact O-N 3.35Å |
| 13 | Y | 41.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 85.7 Ų | 85.7 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -30.7 | 173.2 | -67.8 | -65.6 | 0 | 0 | 0 | 112.2 | S9 A15 Y16 I17 V187 | S9-Y13 VanDerWaalsContact C-CD2 3.48Å; S9-Y13 WeakPolarHBondContact O-CD2 3.5Å; S9-Y13 PolarHBondContact O-N 3.2Å; S9-Y13 WeakPolarHBondContact OG-CE2 3.39Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.13Å; Y13-Y16 VanDerWaalsContact O-CB 3.31Å; Y13-Y16 WeakPolarHBondContact O-CB 3.38Å; Y13-Y16 PolarHBondContact O-N 3.46Å; Y13-Y16 VanDerWaalsContact O-N 3.15Å; Y13-I17 PolarHBondContact O-N 3.49Å; Y13-I17 VanDerWaalsContact O-N 3.14Å; Y13-V187 HydrophobicContact CE1-CG1 4.23Å |
| 14 | G | 39.5 | Very low | 40.5 | Very low | 27 Ų | 27 | 85 Ų | 85 | 28% | 0.278 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.8 | -25.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T10 K12 R18 | T10-G14 PolarHBondContact O-N 2.83Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 3.27Å; G14-R18 PolarHBondContact O-N 2.84Å; G14-R18 PolarHBondContact O-NE 3.44Å |
| 15 | A | 44.5 | Very low | 40.8 | Very low | 36 Ų | 36 | 83.5 Ų | 83.5 | 30% | 0.298 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.5 | -35.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K12 Y13 I17 R18 N19 | K12-A15 VanDerWaalsContact O-CB 3.32Å; K12-A15 WeakPolarHBondContact O-CB 3.48Å; K12-A15 PolarHBondContact O-N 3.45Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.13Å; A15-I17 PolarHBondContact O-N 3.47Å; A15-R18 PolarHBondContact O-N 2.84Å; A15-R18 VanDerWaalsContact O-N 3.17Å; A15-N19 PolarHBondContact O-N 2.8Å |
| 16 | Y | 45.3 | Very low | 40.9 | Very low | 76 Ų | 76 | 85.4 Ų | 85.4 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.8 | -143.1 | -104.1 | 0 | 0 | 0 | 112.2 | K12 Y13 R18 N19 L20 I191 C194 | K12-Y16 PolarHBondContact O-N 3.35Å; Y13-Y16 VanDerWaalsContact O-CB 3.31Å; Y13-Y16 WeakPolarHBondContact O-CB 3.38Å; Y13-Y16 PolarHBondContact O-N 3.46Å; Y13-Y16 VanDerWaalsContact O-N 3.15Å; Y16-R18 VanDerWaalsContact C-N 3.33Å; Y16-R18 PolarHBondContact O-N 3.27Å; Y16-N19 PolarHBondContact O-N 3.46Å; Y16-L20 HydrophobicContact CD1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 WeakPolarHBondContact O-CB 3.31Å; Y16-L20 PolarHBondContact O-N 2.86Å; Y16-I191 HydrophobicContact CD2-CD1 4.5Å; Y16-I191 HydrophobicContact CD2-CG1 4.2Å; Y16-I191 HydrophobicContact CE2-CB 4.2Å; Y16-I191 HydrophobicContact CE2-CD1 4.36Å; Y16-I191 HydrophobicContact CE2-CG1 3.59Å; Y16-I191 HydrophobicContact CE2-CG2 4.05Å; Y16-C194 PolarHBondContact OH-SG 2.97Å |
| 17 | I | 46.2 | Very low | 41.1 | Very low | 83 Ų | 83 | 86.9 Ų | 86.9 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 175.4 | -63.2 | 173.3 | 0 | 0 | 0 | 111.6 | Y13 A15 K21 | Y13-I17 PolarHBondContact O-N 3.49Å; Y13-I17 VanDerWaalsContact O-N 3.14Å; A15-I17 PolarHBondContact O-N 3.47Å; I17-K21 WeakPolarHBondContact O-CB 3.46Å; I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.4Å |
| 18 | R | 45.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 86.1 Ų | 86.1 | 66% | 0.657 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.3 | -39.9 | 174.8 | -78.3 | -175.7 | -71.7 | -147.4 | -0.4 | 112.3 | G14 A15 Y16 K21 M22 | G14-R18 PolarHBondContact O-N 2.84Å; G14-R18 PolarHBondContact O-NE 3.44Å; A15-R18 PolarHBondContact O-N 2.84Å; A15-R18 VanDerWaalsContact O-N 3.17Å; Y16-R18 VanDerWaalsContact C-N 3.33Å; Y16-R18 PolarHBondContact O-N 3.27Å; R18-K21 PolarHBondContact O-N 3.43Å; R18-M22 WeakPolarHBondContact O-CB 3.2Å; R18-M22 PolarHBondContact O-N 3.47Å |
| 19 | N | 46.5 | Very low | 41.8 | Very low | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.4 | -37.2 | 177.9 | -70.4 | -14.4 | 0 | 0 | 0 | 112.1 | A15 Y16 M22 C23 | A15-N19 PolarHBondContact O-N 2.8Å; Y16-N19 PolarHBondContact O-N 3.46Å; N19-M22 WeakPolarHBondContact O-CB 3.41Å; N19-M22 PolarHBondContact O-N 3.18Å; N19-C23 PolarHBondContact O-N 2.92Å |
| 20 | L | 44.7 | Very low | 42.1 | Very low | 88 Ų | 88 | 90 Ų | 90 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 172.1 | -89.3 | 153 | 0 | 0 | 0 | 112.6 | Y16 M22 C23 S24 | Y16-L20 HydrophobicContact CD1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 WeakPolarHBondContact O-CB 3.31Å; Y16-L20 PolarHBondContact O-N 2.86Å; L20-M22 PolarHBondContact O-N 3.28Å; L20-C23 WeakPolarHBondContact O-CB 3.25Å; L20-C23 PolarHBondContact O-N 3.38Å; L20-S24 PolarHBondContact O-N 2.78Å |
| 21 | K | 45.4 | Very low | 42 | Very low | 144 Ų | 144 | 89.3 Ų | 89.3 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -29.5 | 169.9 | -81.6 | -174.6 | 175.3 | -174.5 | 0 | 112.6 | I17 R18 S24 S25 | I17-K21 WeakPolarHBondContact O-CB 3.46Å; I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.4Å; R18-K21 PolarHBondContact O-N 3.43Å; K21-S24 PolarHBondContact O-OG 2.87Å; K21-S24 VanDerWaalsContact O-OG 3.07Å; K21-S25 WeakPolarHBondContact O-CB 3.28Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3Å |
| 22 | M | 38.3 | Very low | 42.1 | Very low | 117 Ų | 117 | 93.1 Ų | 93.1 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.2 | -40.1 | 173.9 | -158.3 | 174.7 | -173.5 | 0 | 0 | 110.9 | R18 N19 L20 S25 L26 | R18-M22 WeakPolarHBondContact O-CB 3.2Å; R18-M22 PolarHBondContact O-N 3.47Å; N19-M22 WeakPolarHBondContact O-CB 3.41Å; N19-M22 PolarHBondContact O-N 3.18Å; L20-M22 PolarHBondContact O-N 3.28Å; M22-S25 WeakPolarHBondContact CA-OG 3.4Å; M22-S25 PolarHBondContact O-N 3.41Å; M22-S25 PolarHBondContact O-OG 2.97Å; M22-L26 PolarHBondContact O-N 3.42Å |
| 23 | C | 41.3 | Very low | 41.8 | Very low | 53 Ų | 53 | 91 Ų | 91 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 171.8 | -77.3 | 0 | 0 | 0 | 0 | 113 | N19 L20 L26 H27 | N19-C23 PolarHBondContact O-N 2.92Å; L20-C23 WeakPolarHBondContact O-CB 3.25Å; L20-C23 PolarHBondContact O-N 3.38Å; C23-L26 PolarHBondContact O-N 2.97Å; C23-H27 PolarHBondContact O-N 3.25Å |
| 24 | S | 41.7 | Very low | 41.5 | Very low | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 174.6 | 72 | 0 | 0 | 0 | 0 | 112.4 | L20 K21 H27 A28 | L20-S24 PolarHBondContact O-N 2.78Å; K21-S24 PolarHBondContact O-OG 2.87Å; K21-S24 VanDerWaalsContact O-OG 3.07Å; S24-H27 WeakPolarHBondContact O-CB 3.42Å; S24-H27 PolarHBondContact O-N 3Å; S24-A28 PolarHBondContact O-N 2.69Å |
| 25 | S | 40.5 | Very low | 41.5 | Very low | 59 Ų | 59 | 101.3 Ų | 101.3 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.7 | -31.8 | 173.4 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | K21 M22 H27 A28 V29 | K21-S25 WeakPolarHBondContact O-CB 3.28Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3Å; M22-S25 WeakPolarHBondContact CA-OG 3.4Å; M22-S25 PolarHBondContact O-N 3.41Å; M22-S25 PolarHBondContact O-OG 2.97Å; S25-H27 VanDerWaalsContact C-N 3.32Å; S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 3.41Å; S25-V29 PolarHBondContact O-N 3.05Å |
| 26 | L | 38.7 | Very low | 40.9 | Very low | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -33 | 172.6 | -86.3 | 160.6 | 0 | 0 | 0 | 111.6 | M22 C23 A28 V29 A30 | M22-L26 PolarHBondContact O-N 3.42Å; C23-L26 PolarHBondContact O-N 2.97Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.84Å; L26-V29 PolarHBondContact O-N 2.78Å; L26-A30 PolarHBondContact O-N 3.28Å |
| 27 | H | 41.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 108.9 Ų | 108.9 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.1 | -35.2 | 170.9 | -116.5 | 59.1 | 0 | 0 | 0 | 112.6 | C23 S24 S25 V29 A30 G31 | C23-H27 PolarHBondContact O-N 3.25Å; S24-H27 WeakPolarHBondContact O-CB 3.42Å; S24-H27 PolarHBondContact O-N 3Å; S25-H27 VanDerWaalsContact C-N 3.32Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 2.85Å; H27-A30 PolarHBondContact O-N 3.29Å; H27-G31 PolarHBondContact O-N 3.21Å |
| 28 | A | 42.1 | Very low | 40.6 | Very low | 73 Ų | 73 | 113.9 Ų | 113.9 | 60% | 0.603 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -28.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S24 S25 L26 | S24-A28 PolarHBondContact O-N 2.69Å; S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 3.41Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.84Å |
| 29 | V | 42.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 108.2 Ų | 108.2 | 70% | 0.703 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.4 | -28.1 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | S25 L26 H27 G31 | S25-V29 PolarHBondContact O-N 3.05Å; L26-V29 PolarHBondContact O-N 2.78Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 2.85Å; V29-G31 VanDerWaalsContact C-N 3.31Å |
| 30 | A | 41.1 | Very low | 41 | Very low | 75 Ų | 75 | 110.7 Ų | 110.7 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.3 | -10.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | L26 H27 V32 | L26-A30 PolarHBondContact O-N 3.28Å; H27-A30 PolarHBondContact O-N 3.29Å; A30-V32 PolarHBondContact O-N 2.84Å |
| 31 | G | 36.4 | Very low | 41.4 | Very low | 59 Ų | 59 | 113.2 Ų | 113.2 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 2.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | H27 V29 T33 | H27-G31 PolarHBondContact O-N 3.21Å; V29-G31 VanDerWaalsContact C-N 3.31Å; G31-T33 VanDerWaalsContact C-N 3.33Å; G31-T33 PolarHBondContact O-N 2.82Å |
| 32 | V | 38.1 | Very low | 42.3 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 79% | 0.788 | 63% | 0.631 | S | S | * | * | trans | -96.7 | 44.5 | -175.8 | -164 | 0 | 0 | 0 | 0 | 112.3 | A30 | A30-V32 PolarHBondContact O-N 2.84Š| ||
| 33 | T | 37.4 | Very low | 44.1 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -132.6 | 108 | 164.8 | 48 | 0 | 0 | 0 | 0 | 109 | G31 K35 | G31-T33 VanDerWaalsContact C-N 3.33Å; G31-T33 PolarHBondContact O-N 2.82Å; T33-K35 PolarHBondContact O-N 2.88Å; T33-K35 VanDerWaalsContact O-N 3.15Å |
| 34 | Q | 35.3 | Very low | 45.8 | Very low | 205 Ų | 205 | 109.6 Ų | 109.6 | 96% | 0.958 | 64% | 0.639 | S | S | * | * | trans | -50 | 115.3 | 174.2 | -75.7 | 170.2 | -45.4 | 0 | 0 | 110.5 | ||||
| 35 | K | 37.9 | Very low | 47.6 | Very low | 149 Ų | 149 | 109.8 Ų | 109.8 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | trans | -99.3 | 123.6 | 165.5 | -93.8 | -175 | 175.9 | -179 | 0 | 110.1 | T33 | T33-K35 PolarHBondContact O-N 2.88Å; T33-K35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | P | 33.1 | Very low | 49.6 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -78.2 | 137.1 | 168.1 | 31.9 | -28.8 | 0 | 0 | 0 | 110 | ||||
| 37 | N | 44.9 | Very low | 51.4 | Low | 158 Ų | 158 | 111.5 Ų | 111.5 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | trans | 63.5 | 89.7 | 164.8 | -58.6 | -16.4 | 0 | 0 | 0 | 117.6 | S39 | N37-S39 PolarHBondContact O-N 3.44Š| ||
| 38 | Q | 40 | Very low | 53.3 | Low | 189 Ų | 189 | 109.4 Ų | 109.4 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -62.7 | 115.8 | 169.8 | -72.1 | 170.9 | -23.4 | 0 | 0 | 111.4 | ||||
| 39 | S | 45.1 | Very low | 55.3 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 38% | 0.378 | 62% | 0.622 | S | S | . | * | trans | -96.2 | 136.7 | 158.8 | 110.6 | 0 | 0 | 0 | 0 | 108.4 | N37 N41 D42 | N37-S39 PolarHBondContact O-N 3.44Å; S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 PolarHBondContact OG-N 2.8Å; S39-D42 PolarHBondContact O-N 3Å; S39-D42 PolarHBondContact OG-OD1 2.84Å | ||
| 40 | T | 54.4 | Low | 57.1 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 3 | 179.3 | 26.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 41 | N | 54.9 | Low | 59 | Low | 141 Ų | 141 | 105.7 Ų | 105.7 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 8 | -178.7 | -68.8 | -37.3 | 0 | 0 | 0 | 113.9 | S39 | S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 PolarHBondContact OG-N 2.8Å |
| 42 | D | 64.4 | Low | 61.4 | Low | 52 Ų | 52 | 107 Ų | 107 | 28% | 0.278 | 59% | 0.592 | S | S | . | * | trans | -73.9 | 126.8 | -175.4 | -69.6 | 6.7 | 0 | 0 | 0 | 110.2 | S39 I44 V45 K46 | S39-D42 PolarHBondContact O-N 3Å; S39-D42 PolarHBondContact OG-OD1 2.84Å; D42-I44 PolarHBondContact O-N 2.99Å; D42-V45 HydrophobicContact CB-CG2 4.17Å; D42-V45 PolarHBondContact O-N 2.69Å; D42-K46 PolarHBondContact O-N 3.33Å | ||
| 43 | P | 75.6 | Confident | 63.8 | Low | 107 Ų | 107 | 106.2 Ų | 106.2 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.3 | -23.1 | -178.2 | 22.8 | -33.7 | 0 | 0 | 0 | 112.9 | A47 | P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 2.68Å |
| 44 | I | 76.7 | Confident | 65.9 | Low | 80 Ų | 80 | 108 Ų | 108 | 41% | 0.41 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -47 | 176.9 | -63.4 | 164.9 | 0 | 0 | 0 | 110.9 | D42 K46 A47 E48 | D42-I44 PolarHBondContact O-N 2.99Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; I44-A47 WeakPolarHBondContact O-CB 3.4Å; I44-A47 PolarHBondContact O-N 3.42Å; I44-E48 HydrophobicContact CG2-CG 4.44Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.89Å |
| 45 | V | 80.3 | Confident | 68.2 | Low | 63 Ų | 63 | 103.8 Ų | 103.8 | 38% | 0.382 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.1 | -35.9 | 178.3 | 179 | 0 | 0 | 0 | 0 | 110.6 | D42 S49 | D42-V45 HydrophobicContact CB-CG2 4.17Å; D42-V45 PolarHBondContact O-N 2.69Å; V45-S49 WeakPolarHBondContact O-CB 3.49Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.87Å |
| 46 | K | 80.8 | Confident | 70.7 | Confident | 145 Ų | 145 | 102.3 Ų | 102.3 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -42.3 | 172.2 | -171 | 176.1 | 178.1 | -179.2 | 0 | 111.9 | D42 I44 S49 M50 | D42-K46 PolarHBondContact O-N 3.33Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; K46-S49 WeakPolarHBondContact CA-OG 3.27Å; K46-S49 PolarHBondContact O-OG 3.45Å; K46-M50 VanDerWaalsContact O-CG 3.31Å; K46-M50 WeakPolarHBondContact O-CG 3.39Å; K46-M50 PolarHBondContact O-N 2.91Å |
| 47 | A | 77.5 | Confident | 73.2 | Confident | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P43 I44 M50 A51 | P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 2.68Å; I44-A47 WeakPolarHBondContact O-CB 3.4Å; I44-A47 PolarHBondContact O-N 3.42Å; A47-M50 PolarHBondContact O-N 3.48Å; A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.5Å |
| 48 | E | 80.6 | Confident | 75.1 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.4 | -72.5 | 173.2 | -179.7 | 0 | 0 | 111.5 | I44 M50 A51 N52 | I44-E48 HydrophobicContact CG2-CG 4.44Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.89Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; E48-A51 PolarHBondContact O-N 2.94Å; E48-N52 WeakPolarHBondContact O-CB 3.19Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.39Å |
| 49 | S | 83.6 | Confident | 77.4 | Confident | 51 Ų | 51 | 92.1 Ų | 92.1 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | V45 K46 Q53 | V45-S49 WeakPolarHBondContact O-CB 3.49Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.87Å; K46-S49 WeakPolarHBondContact CA-OG 3.27Å; K46-S49 PolarHBondContact O-OG 3.45Å; S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-N 3.23Å |
| 50 | M | 80.4 | Confident | 79.6 | Confident | 81 Ų | 81 | 93.5 Ų | 93.5 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 173.5 | -74.3 | -177.9 | 62.5 | 0 | 0 | 112.1 | K46 A47 E48 N52 Q53 Y54 | K46-M50 VanDerWaalsContact O-CG 3.31Å; K46-M50 WeakPolarHBondContact O-CG 3.39Å; K46-M50 PolarHBondContact O-N 2.91Å; A47-M50 PolarHBondContact O-N 3.48Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; M50-N52 VanDerWaalsContact C-N 3.33Å; M50-N52 PolarHBondContact O-N 3.43Å; M50-Q53 WeakPolarHBondContact O-CB 3.27Å; M50-Q53 PolarHBondContact O-N 3.45Å; M50-Y54 HydrophobicContact CB-CE2 4.49Å; M50-Y54 HydrophobicContact CE-CE2 4.28Å; M50-Y54 WeakPolarHBondContact O-CD2 3.47Å; M50-Y54 PolarHBondContact O-N 3.33Å; M50-Y54 VanDerWaalsContact O-N 3.08Å |
| 51 | A | 81.3 | Confident | 81.1 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A47 E48 Q53 Y54 E55 | A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.5Å; E48-A51 PolarHBondContact O-N 2.94Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.93Å; A51-Y54 PolarHBondContact O-N 3.32Å; A51-E55 PolarHBondContact O-N 2.92Å |
| 52 | N | 88 | Confident | 82.7 | Confident | 85 Ų | 85 | 86.8 Ų | 86.8 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.5 | -70.1 | -25.6 | 0 | 0 | 0 | 112.3 | E48 M50 E55 Q56 | E48-N52 WeakPolarHBondContact O-CB 3.19Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.39Å; M50-N52 VanDerWaalsContact C-N 3.33Å; M50-N52 PolarHBondContact O-N 3.43Å; N52-E55 PolarHBondContact O-N 2.85Å; N52-Q56 WeakPolarHBondContact O-CB 3.21Å; N52-Q56 VanDerWaalsContact O-CG 3.27Å; N52-Q56 WeakPolarHBondContact O-CG 3.38Å; N52-Q56 PolarHBondContact O-N 2.99Å |
| 53 | Q | 87.5 | Confident | 84 | Confident | 115 Ų | 115 | 87 Ų | 87 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.3 | -75.1 | 172.4 | 4.8 | 0 | 0 | 111.3 | S49 M50 A51 E55 Q56 D57 | S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-N 3.23Å; M50-Q53 WeakPolarHBondContact O-CB 3.27Å; M50-Q53 PolarHBondContact O-N 3.45Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.93Å; Q53-E55 PolarHBondContact O-N 3.46Å; Q53-Q56 PolarHBondContact O-N 3.38Å; Q53-D57 PolarHBondContact O-N 2.91Å |
| 54 | Y | 82 | Confident | 84.8 | Confident | 149 Ų | 149 | 89.1 Ų | 89.1 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 176.9 | -71.9 | -63.4 | 0 | 0 | 0 | 112.8 | M50 A51 Q56 D57 V58 | M50-Y54 HydrophobicContact CB-CE2 4.49Å; M50-Y54 HydrophobicContact CE-CE2 4.28Å; M50-Y54 WeakPolarHBondContact O-CD2 3.47Å; M50-Y54 PolarHBondContact O-N 3.33Å; M50-Y54 VanDerWaalsContact O-N 3.08Å; A51-Y54 PolarHBondContact O-N 3.32Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.38Å; Y54-D57 PolarHBondContact O-N 2.82Å; Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.46Å; Y54-V58 PolarHBondContact O-N 3.42Å |
| 55 | E | 84.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.9 | -175.3 | 176.6 | -175.2 | 0 | 0 | 111.4 | A51 N52 Q53 V58 T59 | A51-E55 PolarHBondContact O-N 2.92Å; N52-E55 PolarHBondContact O-N 2.85Å; Q53-E55 PolarHBondContact O-N 3.46Å; E55-V58 PolarHBondContact O-N 2.86Å; E55-T59 VanDerWaalsContact O-CB 3.31Å; E55-T59 WeakPolarHBondContact O-CB 3.38Å; E55-T59 PolarHBondContact O-N 3.27Å; E55-T59 PolarHBondContact O-OG1 3.48Å |
| 56 | Q | 89.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 174.5 | -73.8 | 176.9 | 12.4 | 0 | 0 | 111.4 | N52 Q53 Y54 T59 N60 | N52-Q56 WeakPolarHBondContact O-CB 3.21Å; N52-Q56 VanDerWaalsContact O-CG 3.27Å; N52-Q56 WeakPolarHBondContact O-CG 3.38Å; N52-Q56 PolarHBondContact O-N 2.99Å; Q53-Q56 PolarHBondContact O-N 3.38Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-N 3.42Å; Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.41Å; Q56-N60 PolarHBondContact O-ND2 3.38Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å |
| 57 | D | 85.2 | Confident | 85.8 | Confident | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.9 | -77 | -17.4 | 0 | 0 | 0 | 112.7 | Q53 Y54 S61 | Q53-D57 PolarHBondContact O-N 2.91Å; Y54-D57 PolarHBondContact O-N 2.82Å; D57-S61 VanDerWaalsContact O-CB 3.3Å; D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.9Å; D57-S61 PolarHBondContact O-OG 3.47Å |
| 58 | V | 84.1 | Confident | 86.2 | Confident | 73 Ų | 73 | 92.5 Ų | 92.5 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | Y54 E55 N60 S61 I62 | Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.46Å; Y54-V58 PolarHBondContact O-N 3.42Å; E55-V58 PolarHBondContact O-N 2.86Å; V58-N60 PolarHBondContact O-N 2.91Å; V58-S61 WeakPolarHBondContact O-CB 3.41Å; V58-S61 PolarHBondContact O-N 3.31Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.33Å; V58-I62 PolarHBondContact O-N 2.95Å |
| 59 | T | 89.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | E55 Q56 S61 I62 A63 | E55-T59 VanDerWaalsContact O-CB 3.31Å; E55-T59 WeakPolarHBondContact O-CB 3.38Å; E55-T59 PolarHBondContact O-N 3.27Å; E55-T59 PolarHBondContact O-OG1 3.48Å; Q56-T59 PolarHBondContact O-N 3.42Å; T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.37Å; T59-I62 PolarHBondContact O-N 2.91Å; T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.37Å |
| 60 | N | 91.7 | Very high | 86.1 | Confident | 83 Ų | 83 | 94.4 Ų | 94.4 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175 | -73.1 | -26.6 | 0 | 0 | 0 | 111.4 | Q56 V58 A63 K64 | Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.41Å; Q56-N60 PolarHBondContact O-ND2 3.38Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å; V58-N60 PolarHBondContact O-N 2.91Å; N60-A63 PolarHBondContact O-N 2.97Å; N60-K64 WeakPolarHBondContact O-CB 3.18Å; N60-K64 VanDerWaalsContact O-CG 3.24Å; N60-K64 WeakPolarHBondContact O-CG 3.25Å; N60-K64 PolarHBondContact O-N 3.36Å |
| 61 | S | 86.2 | Confident | 86.3 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | D57 V58 T59 A63 K64 W65 | D57-S61 VanDerWaalsContact O-CB 3.3Å; D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.9Å; D57-S61 PolarHBondContact O-OG 3.47Å; V58-S61 WeakPolarHBondContact O-CB 3.41Å; V58-S61 PolarHBondContact O-N 3.31Å; T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.37Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 3.3Å; S61-K64 PolarHBondContact O-N 2.98Å; S61-W65 PolarHBondContact O-N 2.92Å |
| 62 | I | 88.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 102 Ų | 102 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.4 | -67.1 | 165.3 | 0 | 0 | 0 | 110.5 | V58 T59 K64 W65 A66 | V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.33Å; V58-I62 PolarHBondContact O-N 2.95Å; T59-I62 PolarHBondContact O-N 2.91Å; I62-K64 PolarHBondContact O-N 3.41Å; I62-W65 PolarHBondContact O-N 3.48Å; I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.28Å |
| 63 | A | 90.7 | Very high | 85.3 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T59 N60 S61 A66 K67 | T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.37Å; N60-A63 PolarHBondContact O-N 2.97Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 3.3Å; A63-A66 PolarHBondContact O-N 2.86Å; A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.49Å |
| 64 | K | 92 | Very high | 84.5 | Confident | 152 Ų | 152 | 98.2 Ų | 98.2 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 173.7 | -75.9 | 170.8 | -175.8 | 176.3 | 0 | 111.7 | N60 S61 I62 K67 A68 | N60-K64 WeakPolarHBondContact O-CB 3.18Å; N60-K64 VanDerWaalsContact O-CG 3.24Å; N60-K64 WeakPolarHBondContact O-CG 3.25Å; N60-K64 PolarHBondContact O-N 3.36Å; S61-K64 PolarHBondContact O-N 2.98Å; I62-K64 PolarHBondContact O-N 3.41Å; K64-K67 PolarHBondContact O-N 2.82Å; K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 2.96Å |
| 65 | W | 86.6 | Confident | 84 | Confident | 195 Ų | 195 | 97.2 Ų | 97.2 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.4 | -79.6 | 113.6 | 0 | 0 | 0 | 112.4 | S61 I62 K67 A68 D69 | S61-W65 PolarHBondContact O-N 2.92Å; I62-W65 PolarHBondContact O-N 3.48Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.39Å; W65-A68 PolarHBondContact O-N 3.39Å; W65-D69 PolarHBondContact O-N 2.9Å |
| 66 | A | 85.7 | Confident | 83.1 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I62 A63 A68 D69 E70 | I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 2.86Å; A66-A68 PolarHBondContact O-N 2.84Å; A66-D69 PolarHBondContact O-N 3.44Å; A66-E70 PolarHBondContact O-N 3.04Å |
| 67 | K | 87.8 | Confident | 81.9 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 175.2 | -174.4 | 173.5 | -177.7 | 174.8 | 0 | 112.5 | A63 K64 W65 E70 I71 | A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.49Å; K64-K67 PolarHBondContact O-N 2.82Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.39Å; K67-E70 PolarHBondContact O-N 3.09Å; K67-I71 HydrophobicContact CG-CD1 4.01Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.47Å; K67-I71 PolarHBondContact O-N 3.03Å |
| 68 | A | 85.4 | Confident | 81.1 | Confident | 27 Ų | 27 | 99.3 Ų | 99.3 | 22% | 0.223 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K64 W65 A66 E70 I71 Y72 | K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 2.96Å; W65-A68 PolarHBondContact O-N 3.39Å; A66-A68 PolarHBondContact O-N 2.84Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.41Å; A68-I71 PolarHBondContact O-N 3.02Å; A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CD2 3.3Å; A68-Y72 PolarHBondContact O-N 3.48Å |
| 69 | D | 80.6 | Confident | 80.2 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.5 | -159 | 60 | 0 | 0 | 0 | 110.4 | R3 W65 A66 Y73 | R3-D69 IonicContact NH2-OD1 3.72Å; R3-D69 PolarHBondContact NH2-OD1 3.37Å; R3-D69 VanDerWaalsContact NH2-OD1 3.12Å; R3-D69 IonicContact NH2-OD2 2.78Å; W65-D69 PolarHBondContact O-N 2.9Å; A66-D69 PolarHBondContact O-N 3.44Å; D69-Y73 HydrophobicContact CB-CD2 4.44Å; D69-Y73 WeakPolarHBondContact O-CB 3.34Å; D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CD2 3.46Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.37Å |
| 70 | E | 81.5 | Confident | 79.2 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 172.6 | 176.1 | 171.9 | -150.3 | 0 | 0 | 112.8 | A66 K67 A68 G74 N75 | A66-E70 PolarHBondContact O-N 3.04Å; K67-E70 PolarHBondContact O-N 3.09Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.41Å; E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 3.1Å; E70-N75 VanDerWaalsContact CG-OD1 3.28Å; E70-N75 WeakPolarHBondContact CG-OD1 3.33Å; E70-N75 PolarHBondContact OE1-ND2 3.45Å; E70-N75 PolarHBondContact OE1-OD1 2.97Å |
| 71 | I | 84.1 | Confident | 78.3 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -45 | 180 | -70.2 | 164.2 | 0 | 0 | 0 | 112 | K67 A68 | K67-I71 HydrophobicContact CG-CD1 4.01Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.47Å; K67-I71 PolarHBondContact O-N 3.03Å; A68-I71 PolarHBondContact O-N 3.02Å |
| 72 | Y | 77.6 | Confident | 77.5 | Confident | 177 Ų | 177 | 102.3 Ų | 102.3 | 69% | 0.694 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -83.9 | -31 | -172.7 | -73.6 | -65.8 | 0 | 0 | 0 | 113.5 | A68 | A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CD2 3.3Å; A68-Y72 PolarHBondContact O-N 3.48Å |
| 73 | Y | 70.5 | Confident | 76.8 | Confident | 86 Ų | 86 | 102.2 Ų | 102.2 | 34% | 0.337 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -111.1 | -30.1 | -176.1 | -53.4 | -66.3 | 0 | 0 | 0 | 112.4 | D69 R77 F79 | D69-Y73 HydrophobicContact CB-CD2 4.44Å; D69-Y73 WeakPolarHBondContact O-CB 3.34Å; D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CD2 3.46Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.37Å; Y73-R77 WeakPolarHBondContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CD 3.42Å; Y73-F79 AromaticContact CD1-CE1 3.92Å; Y73-F79 HydrophobicContact CD1-CE1 3.92Å; Y73-F79 AromaticContact CD1-CE2 3.9Å; Y73-F79 HydrophobicContact CD1-CE2 3.9Å; Y73-F79 AromaticContact CD1-CZ 3.22Å; Y73-F79 HydrophobicContact CD1-CZ 3.22Å; Y73-F79 AromaticContact CD2-CE2 3.93Å; Y73-F79 HydrophobicContact CD2-CE2 3.93Å; Y73-F79 AromaticContact CD2-CZ 3.63Å; Y73-F79 HydrophobicContact CD2-CZ 3.63Å; Y73-F79 AromaticContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE2 4.38Å; Y73-F79 AromaticContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE2-CE2 4.38Å; Y73-F79 AromaticContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CG-CE1 4.47Å; Y73-F79 AromaticContact CG-CE2 3.65Å; Y73-F79 HydrophobicContact CG-CE2 3.65Å; Y73-F79 AromaticContact CG-CZ 3.38Å; Y73-F79 HydrophobicContact CG-CZ 3.38Å; Y73-F79 AromaticContact CZ-CZ 3.55Å |
| 74 | G | 70.8 | Confident | 75.9 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | trans | 81.4 | 148.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E70 E76 R77 | E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 3.1Å; G74-E76 PolarHBondContact O-N 2.91Å; G74-E76 VanDerWaalsContact O-N 3.07Å; G74-R77 PolarHBondContact O-N 3.25Å | ||
| 75 | N | 71.9 | Confident | 74.8 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 69% | 0.69 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20.4 | -177.6 | -71.6 | -12.7 | 0 | 0 | 0 | 113.9 | E70 | E70-N75 VanDerWaalsContact CG-OD1 3.28Å; E70-N75 WeakPolarHBondContact CG-OD1 3.33Å; E70-N75 PolarHBondContact OE1-ND2 3.45Å; E70-N75 PolarHBondContact OE1-OD1 2.97Å |
| 76 | E | 66.1 | Low | 74.3 | Confident | 187 Ų | 187 | 102.2 Ų | 102.2 | 87% | 0.874 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15 | -177 | -58.9 | -172.5 | 174.3 | 0 | 0 | 113.8 | G74 D78 | G74-E76 PolarHBondContact O-N 2.91Å; G74-E76 VanDerWaalsContact O-N 3.07Å; E76-D78 PolarHBondContact O-N 3.25Å |
| 77 | R | 64.4 | Low | 73.8 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 37% | 0.37 | 53% | 0.533 | S | S | . | . | trans | -90.8 | 87.1 | -173 | -165.6 | -176.7 | 175.7 | -179 | 2.5 | 111.2 | Y73 G74 F82 | Y73-R77 WeakPolarHBondContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CD 3.42Å; G74-R77 PolarHBondContact O-N 3.25Å; R77-F82 HydrophobicContact CG-CB 4.05Å | ||
| 78 | D | 67.7 | Low | 73.5 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | trans | -69.8 | 135.6 | 167.1 | -170.8 | -2.9 | 0 | 0 | 0 | 110.6 | E76 A80 N81 F82 | E76-D78 PolarHBondContact O-N 3.25Å; D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 PolarHBondContact OD1-N 3.46Å; D78-A80 WeakPolarHBondContact OD2-CB 3.38Å; D78-N81 HydrophobicContact CB-CB 4.39Å; D78-N81 PolarHBondContact O-N 2.92Å; D78-F82 WeakPolarHBondContact O-CA 3.36Å; D78-F82 WeakPolarHBondContact O-CB 3.29Å; D78-F82 PolarHBondContact O-N 3.39Å | ||
| 79 | F | 64.8 | Low | 73 | Confident | 36 Ų | 36 | 112.6 Ų | 112.6 | 16% | 0.158 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -14 | 174.6 | -70.6 | -105 | 0 | 0 | 0 | 112.9 | Y73 T84 | Y73-F79 AromaticContact CD1-CE1 3.92Å; Y73-F79 HydrophobicContact CD1-CE1 3.92Å; Y73-F79 AromaticContact CD1-CE2 3.9Å; Y73-F79 HydrophobicContact CD1-CE2 3.9Å; Y73-F79 AromaticContact CD1-CZ 3.22Å; Y73-F79 HydrophobicContact CD1-CZ 3.22Å; Y73-F79 AromaticContact CD2-CE2 3.93Å; Y73-F79 HydrophobicContact CD2-CE2 3.93Å; Y73-F79 AromaticContact CD2-CZ 3.63Å; Y73-F79 HydrophobicContact CD2-CZ 3.63Å; Y73-F79 AromaticContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE2 4.38Å; Y73-F79 AromaticContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE2-CE2 4.38Å; Y73-F79 AromaticContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CG-CE1 4.47Å; Y73-F79 AromaticContact CG-CE2 3.65Å; Y73-F79 HydrophobicContact CG-CE2 3.65Å; Y73-F79 AromaticContact CG-CZ 3.38Å; Y73-F79 HydrophobicContact CG-CZ 3.38Å; Y73-F79 AromaticContact CZ-CZ 3.55Å; F79-T84 HydrophobicContact CD1-CG2 4.36Å; F79-T84 HydrophobicContact CE1-CG2 4Å |
| 80 | A | 69.2 | Low | 72.9 | Confident | 77 Ų | 77 | 114.2 Ų | 114.2 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -47.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D78 | D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 PolarHBondContact OD1-N 3.46Å; D78-A80 WeakPolarHBondContact OD2-CB 3.38Å |
| 81 | N | 71.6 | Confident | 73 | Confident | 118 Ų | 118 | 116.7 Ų | 116.7 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -33.6 | -178.3 | -68.7 | 46.6 | 0 | 0 | 0 | 112.9 | D78 | D78-N81 HydrophobicContact CB-CB 4.39Å; D78-N81 PolarHBondContact O-N 2.92Å |
| 82 | F | 70.7 | Confident | 73.1 | Confident | 122 Ų | 122 | 115.9 Ų | 115.9 | 54% | 0.535 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -128.2 | 72.5 | -177.3 | -56.9 | -74.7 | 0 | 0 | 0 | 111 | R77 D78 T84 | R77-F82 HydrophobicContact CG-CB 4.05Å; D78-F82 WeakPolarHBondContact O-CA 3.36Å; D78-F82 WeakPolarHBondContact O-CB 3.29Å; D78-F82 PolarHBondContact O-N 3.39Å; F82-T84 PolarHBondContact O-N 2.97Å |
| 83 | P | 73.2 | Confident | 73.6 | Confident | 84 Ų | 84 | 114.2 Ų | 114.2 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 144.9 | 175.2 | 25.5 | -33.9 | 0 | 0 | 0 | 110 | F85 | P83-F85 PolarHBondContact O-N 2.83Š|
| 84 | T | 70.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 112.9 Ų | 112.9 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -56 | 139.3 | 173.1 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | F79 F82 K86 | F79-T84 HydrophobicContact CD1-CG2 4.36Å; F79-T84 HydrophobicContact CE1-CG2 4Å; F82-T84 PolarHBondContact O-N 2.97Å; T84-K86 PolarHBondContact O-N 3.04Å; T84-K86 VanDerWaalsContact O-N 3.13Å |
| 85 | F | 70 | Confident | 75.3 | Confident | 175 Ų | 175 | 114.2 Ų | 114.2 | 77% | 0.768 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.3 | 176.9 | 69.7 | -88.3 | 0 | 0 | 0 | 108.1 | P83 | P83-F85 PolarHBondContact O-N 2.83Š|
| 86 | K | 75.4 | Confident | 75.8 | Confident | 166 Ų | 166 | 113.2 Ų | 113.2 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 120.9 | 173.2 | -66.7 | 177.9 | -172.4 | 166.7 | 0 | 106.6 | T84 A88 | T84-K86 PolarHBondContact O-N 3.04Å; T84-K86 VanDerWaalsContact O-N 3.13Å; K86-A88 PolarHBondContact O-N 2.99Å |
| 87 | L | 76.6 | Confident | 76.6 | Confident | 152 Ų | 152 | 107.6 Ų | 107.6 | 80% | 0.796 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.8 | 165.7 | -72.3 | 147.2 | 0 | 0 | 0 | 107.5 | R89 | L87-R89 PolarHBondContact O-N 3.05Š|
| 88 | A | 81.5 | Confident | 77.6 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | K86 C90 | K86-A88 PolarHBondContact O-N 2.99Å; A88-C90 PolarHBondContact O-N 3.25Å |
| 89 | R | 74.9 | Confident | 78.6 | Confident | 203 Ų | 203 | 107.1 Ų | 107.1 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -61.6 | -28.9 | -179.5 | -77.1 | -172.1 | 171.3 | 175.6 | -7.3 | 113.1 | L87 E172 | L87-R89 PolarHBondContact O-N 3.05Å; R89-E172 IonicContact NH2-OE1 2.9Å |
| 90 | C | 78 | Confident | 79.8 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -119.1 | 142.1 | -177.4 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | A88 | A88-C90 PolarHBondContact O-N 3.25Š|
| 91 | H | 83.8 | Confident | 80.7 | Confident | 150 Ų | 150 | 105.2 Ų | 105.2 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 152.5 | 170.5 | 68.2 | 76.9 | 0 | 0 | 0 | 110.6 | ||
| 92 | P | 84.9 | Confident | 81.6 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 66% | 0.662 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 150.8 | 173.7 | 26.5 | -34.9 | 0 | 0 | 0 | 110.5 | V94 | P92-V94 WeakPolarHBondContact O-CG2 3.38Å; P92-V94 PolarHBondContact O-N 2.84Å |
| 93 | K | 88.8 | Confident | 82.5 | Confident | 142 Ų | 142 | 100.7 Ų | 100.7 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 128.1 | -177.9 | -174.5 | 175 | -179.1 | 175.4 | 0 | 111 | D101 | K93-D101 HydrophobicContact CB-CB 4.23Å; K93-D101 VanDerWaalsContact O-CB 3.26Å; K93-D101 WeakPolarHBondContact O-CB 3.23Å; K93-D101 PolarHBondContact O-N 3.46Å |
| 94 | V | 89.9 | Confident | 83.4 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.9 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109 | P92 G97 F99 | P92-V94 WeakPolarHBondContact O-CG2 3.38Å; P92-V94 PolarHBondContact O-N 2.84Å; V94-G97 WeakPolarHBondContact CG1-O 3.47Å; V94-F99 WeakPolarHBondContact CG1-O 3.4Å |
| 95 | R | 86.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 101.1 Ų | 101.1 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 144.9 | 174.7 | -58.9 | -175.2 | -174 | -147.1 | 1.3 | 109.3 | G97 F99 D101 F104 Y108 Y117 | R95-G97 PolarHBondContact O-N 2.99Å; R95-G97 VanDerWaalsContact O-N 3.1Å; R95-F99 PolarHBondContact N-O 2.84Å; R95-F99 PolarHBondContact O-N 3.22Å; R95-F99 VanDerWaalsContact O-N 3.11Å; R95-D101 IonicContact CZ-OD1 2.84Å; R95-D101 VanDerWaalsContact CZ-OD1 3.24Å; R95-D101 IonicContact NE-OD1 3.27Å; R95-D101 PolarHBondContact NE-OD1 3.32Å; R95-D101 IonicContact NH2-OD1 3.82Å; R95-D101 PolarHBondContact NH2-OD1 2.86Å; R95-F104 HydrophobicContact CB-CE2 3.78Å; R95-F104 HydrophobicContact CB-CZ 3.79Å; R95-F104 HydrophobicContact CG-CE2 4.2Å; R95-F104 HydrophobicContact CG-CZ 4.42Å; R95-Y108 PolarHBondContact NH1-OH 3.48Å; R95-Y108 VanDerWaalsContact NH1-OH 3.14Å; R95-Y108 PolarHBondContact NH2-OH 3.2Å; R95-Y117 PolarHBondContact NH1-OH 2.86Å |
| 96 | M | 83.5 | Confident | 85.1 | Confident | 108 Ų | 108 | 97 Ų | 97 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19.1 | -178.1 | -52.3 | -175.3 | -79 | 0 | 0 | 114.5 | V98 F99 F104 Y117 | M96-V98 PolarHBondContact O-N 2.86Å; M96-F99 HydrophobicContact CE-CD2 3.66Å; M96-F99 HydrophobicContact CE-CE2 4.3Å; M96-F99 HydrophobicContact CE-CG 4.46Å; M96-F104 HydrophobicContact CE-CE1 4.26Å; M96-F104 HydrophobicContact CE-CZ 3.68Å; M96-Y117 HydrophobicContact CE-CD1 4.28Å; M96-Y117 HydrophobicContact CE-CE1 4.27Å; M96-Y117 HydrophobicContact SD-CD1 4.31Å; M96-Y117 HydrophobicContact SD-CE1 4.29Å |
| 97 | G | 81.5 | Confident | 85.8 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -24.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V94 R95 | V94-G97 WeakPolarHBondContact CG1-O 3.47Å; R95-G97 PolarHBondContact O-N 2.99Å; R95-G97 VanDerWaalsContact O-N 3.1Å |
| 98 | V | 85.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 87.1 Ų | 87.1 | 66% | 0.661 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -37.7 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | M96 | M96-V98 PolarHBondContact O-N 2.86Š|
| 99 | F | 88.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 28% | 0.276 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.4 | -168.5 | -62.8 | -73.8 | 0 | 0 | 0 | 111.5 | V94 R95 M96 W103 F104 M120 | V94-F99 WeakPolarHBondContact CG1-O 3.4Å; R95-F99 PolarHBondContact N-O 2.84Å; R95-F99 PolarHBondContact O-N 3.22Å; R95-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact CE-CD2 3.66Å; M96-F99 HydrophobicContact CE-CE2 4.3Å; M96-F99 HydrophobicContact CE-CG 4.46Å; F99-W103 HydrophobicContact CD1-CD2 4.44Å; F99-W103 HydrophobicContact CD1-CE3 4.43Å; F99-F104 HydrophobicContact CB-CE2 3.5Å; F99-F104 VanDerWaalsContact CB-CE2 3.5Å; F99-F104 HydrophobicContact CB-CZ 3.98Å; F99-M120 HydrophobicContact CD1-CE 3.63Å; F99-M120 HydrophobicContact CD2-CE 3.9Å; F99-M120 HydrophobicContact CE1-CE 3.1Å; F99-M120 HydrophobicContact CE2-CE 3.4Å; F99-M120 HydrophobicContact CG-CE 4.02Å; F99-M120 HydrophobicContact CZ-CE 2.99Å |
| 100 | P | 90.8 | Very high | 87.5 | Confident | 48 Ų | 48 | 89 Ų | 89 | 31% | 0.312 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 148 | 176.3 | 29.6 | -34.9 | 0 | 0 | 0 | 109.9 | S102 W103 F104 | P100-S102 WeakPolarHBondContact CB-OG 3.25Å; P100-S102 PolarHBondContact O-N 3.04Å; P100-W103 HydrophobicContact CG-CB 4.36Å; P100-W103 WeakPolarHBondContact O-CB 3.38Å; P100-W103 PolarHBondContact O-N 3.35Å; P100-F104 WeakPolarHBondContact O-CD2 3.39Å |
| 101 | D | 88.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 87.5 Ų | 87.5 | 13% | 0.134 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58 | -25.3 | 179.1 | -170.3 | 72.3 | 0 | 0 | 0 | 112 | K93 R95 W103 F104 R105 | K93-D101 HydrophobicContact CB-CB 4.23Å; K93-D101 VanDerWaalsContact O-CB 3.26Å; K93-D101 WeakPolarHBondContact O-CB 3.23Å; K93-D101 PolarHBondContact O-N 3.46Å; R95-D101 IonicContact CZ-OD1 2.84Å; R95-D101 VanDerWaalsContact CZ-OD1 3.24Å; R95-D101 IonicContact NE-OD1 3.27Å; R95-D101 PolarHBondContact NE-OD1 3.32Å; R95-D101 IonicContact NH2-OD1 3.82Å; R95-D101 PolarHBondContact NH2-OD1 2.86Å; D101-W103 VanDerWaalsContact C-N 3.27Å; D101-W103 PolarHBondContact O-N 3.49Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.31Å; D101-R105 IonicContact OD2-NE 3.94Å; D101-R105 IonicContact OD2-NH2 3.24Å |
| 102 | S | 90.1 | Very high | 88.4 | Confident | 69 Ų | 69 | 81.9 Ų | 81.9 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.2 | -33.7 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | P100 F104 R105 P106 | P100-S102 WeakPolarHBondContact CB-OG 3.25Å; P100-S102 PolarHBondContact O-N 3.04Å; S102-F104 VanDerWaalsContact C-N 3.32Å; S102-R105 PolarHBondContact O-N 3.45Å; S102-P106 WeakPolarHBondContact O-CD 3.4Å |
| 103 | W | 90.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 29% | 0.292 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.5 | -27.3 | 177.3 | -176.6 | 86.6 | 0 | 0 | 0 | 112.4 | F99 P100 D101 P106 F107 P116 F119 M120 | F99-W103 HydrophobicContact CD1-CD2 4.44Å; F99-W103 HydrophobicContact CD1-CE3 4.43Å; P100-W103 HydrophobicContact CG-CB 4.36Å; P100-W103 WeakPolarHBondContact O-CB 3.38Å; P100-W103 PolarHBondContact O-N 3.35Å; D101-W103 VanDerWaalsContact C-N 3.27Å; D101-W103 PolarHBondContact O-N 3.49Å; W103-P106 WeakPolarHBondContact O-CD 3.5Å; W103-F107 HydrophobicContact CD2-CE2 4.38Å; W103-F107 HydrophobicContact CE3-CE2 4.45Å; W103-F107 AromaticContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CZ 4.26Å; W103-F107 AromaticContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CZ 4.13Å; W103-F107 HydrophobicContact CZ3-CE2 4.24Å; W103-F107 WeakPolarHBondContact O-CD2 3.47Å; W103-P116 HydrophobicContact CZ3-CB 3.81Å; W103-F119 AromaticContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CE1 4.22Å; W103-F119 AromaticContact CZ2-CD1 3.87Å; W103-F119 HydrophobicContact CZ2-CD1 3.87Å; W103-F119 AromaticContact CZ2-CE1 3.89Å; W103-F119 HydrophobicContact CZ2-CE1 3.89Å; W103-M120 HydrophobicContact CH2-CE 3.58Å; W103-M120 HydrophobicContact CH2-CG 3.88Å; W103-M120 HydrophobicContact CH2-SD 3.62Å; W103-M120 HydrophobicContact CZ2-CE 3.97Å; W103-M120 HydrophobicContact CZ2-SD 4.13Å; W103-M120 HydrophobicContact CZ3-CE 3.95Å; W103-M120 HydrophobicContact CZ3-CG 4.24Å; W103-M120 HydrophobicContact CZ3-SD 4.39Å |
| 104 | F | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -78.8 | -28.1 | 177.5 | -66.4 | -105.7 | 0 | 0 | 0 | 112.5 | R95 M96 F99 P100 D101 S102 F107 Y108 P116 Y117 | R95-F104 HydrophobicContact CB-CE2 3.78Å; R95-F104 HydrophobicContact CB-CZ 3.79Å; R95-F104 HydrophobicContact CG-CE2 4.2Å; R95-F104 HydrophobicContact CG-CZ 4.42Å; M96-F104 HydrophobicContact CE-CE1 4.26Å; M96-F104 HydrophobicContact CE-CZ 3.68Å; F99-F104 HydrophobicContact CB-CE2 3.5Å; F99-F104 VanDerWaalsContact CB-CE2 3.5Å; F99-F104 HydrophobicContact CB-CZ 3.98Å; P100-F104 WeakPolarHBondContact O-CD2 3.39Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; S102-F104 VanDerWaalsContact C-N 3.32Å; F104-F107 PolarHBondContact O-N 2.89Å; F104-Y108 HydrophobicContact CB-CE1 4.11Å; F104-Y108 HydrophobicContact CB-CE2 4.17Å; F104-Y108 WeakPolarHBondContact CB-OH 3.49Å; F104-Y108 PolarHBondContact O-N 2.9Å; F104-P116 HydrophobicContact CB-CG 4.1Å; F104-P116 HydrophobicContact CD1-CB 3.23Å; F104-P116 HydrophobicContact CD1-CG 3.52Å; F104-P116 HydrophobicContact CE1-CB 3.55Å; F104-P116 HydrophobicContact CE1-CG 4.33Å; F104-P116 HydrophobicContact CG-CB 4.1Å; F104-P116 HydrophobicContact CG-CG 4.16Å; F104-Y117 HydrophobicContact CE1-CD1 4.3Å; F104-Y117 AromaticContact CE1-CE1 3.79Å; F104-Y117 HydrophobicContact CE1-CE1 3.79Å; F104-Y117 AromaticContact CE1-CZ 3.97Å; F104-Y117 HydrophobicContact CZ-CE1 4.45Å |
| 105 | R | 88.4 | Confident | 88.8 | Confident | 155 Ų | 155 | 76.4 Ų | 76.4 | 59% | 0.585 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.8 | -44 | -173.6 | -70 | 175.1 | -169 | 177.5 | -1 | 114.3 | D101 S102 F107 Y108 | D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.31Å; D101-R105 IonicContact OD2-NE 3.94Å; D101-R105 IonicContact OD2-NH2 3.24Å; S102-R105 PolarHBondContact O-N 3.45Å; R105-F107 VanDerWaalsContact C-N 3.29Å; R105-F107 PolarHBondContact O-N 3.33Å; R105-Y108 PolarHBondContact O-N 3.11Å |
| 106 | P | 89 | Confident | 89.1 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -34.9 | 180 | -25.2 | 35.6 | 0 | 0 | 0 | 113.7 | S102 W103 | S102-P106 WeakPolarHBondContact O-CD 3.4Å; W103-P106 WeakPolarHBondContact O-CD 3.5Å |
| 107 | F | 89.6 | Confident | 89.5 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.3 | -27.2 | -178.2 | -71.1 | -83.4 | 0 | 0 | 0 | 113.4 | W103 F104 R105 N109 K110 T111 G112 P116 F119 | W103-F107 HydrophobicContact CD2-CE2 4.38Å; W103-F107 HydrophobicContact CE3-CE2 4.45Å; W103-F107 AromaticContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CZ 4.26Å; W103-F107 AromaticContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CZ 4.13Å; W103-F107 HydrophobicContact CZ3-CE2 4.24Å; W103-F107 WeakPolarHBondContact O-CD2 3.47Å; F104-F107 PolarHBondContact O-N 2.89Å; R105-F107 VanDerWaalsContact C-N 3.29Å; R105-F107 PolarHBondContact O-N 3.33Å; F107-N109 PolarHBondContact O-N 3.49Å; F107-K110 PolarHBondContact O-N 3.31Å; F107-K110 VanDerWaalsContact O-N 3.07Å; F107-T111 PolarHBondContact O-N 3.12Å; F107-T111 PolarHBondContact O-OG1 3.33Å; F107-G112 PolarHBondContact O-N 3.04Å; F107-P116 HydrophobicContact CB-CG 3.47Å; F107-P116 VanDerWaalsContact CB-CG 3.47Å; F107-P116 HydrophobicContact CD2-CB 4.34Å; F107-P116 HydrophobicContact CD2-CG 3.87Å; F107-P116 HydrophobicContact CG-CG 3.78Å; F107-F119 HydrophobicContact CE1-CB 4.13Å; F107-F119 HydrophobicContact CE1-CD2 4.22Å; F107-F119 HydrophobicContact CE1-CG 4.1Å; F107-F119 HydrophobicContact CZ-CB 4.36Å; F107-F119 HydrophobicContact CZ-CD1 4.19Å; F107-F119 HydrophobicContact CZ-CD2 4.32Å; F107-F119 HydrophobicContact CZ-CG 4.01Å |
| 108 | Y | 90.5 | Very high | 90 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.6 | -33 | -178.3 | -65.7 | -26.3 | 0 | 0 | 0 | 112.6 | R95 F104 R105 K110 V113 P116 | R95-Y108 PolarHBondContact NH1-OH 3.48Å; R95-Y108 VanDerWaalsContact NH1-OH 3.14Å; R95-Y108 PolarHBondContact NH2-OH 3.2Å; F104-Y108 HydrophobicContact CB-CE1 4.11Å; F104-Y108 HydrophobicContact CB-CE2 4.17Å; F104-Y108 WeakPolarHBondContact CB-OH 3.49Å; F104-Y108 PolarHBondContact O-N 2.9Å; R105-Y108 PolarHBondContact O-N 3.11Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.88Å; Y108-V113 HydrophobicContact CD1-CG1 4.14Å; Y108-V113 HydrophobicContact CE1-CB 4.21Å; Y108-V113 HydrophobicContact CE1-CG1 3.96Å; Y108-P116 HydrophobicContact CE1-CG 4.35Å |
| 109 | N | 89.4 | Confident | 90.3 | Very high | 145 Ų | 145 | 75.2 Ų | 75.2 | 78% | 0.775 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.9 | -19.1 | 179.1 | -68.3 | -11.2 | 0 | 0 | 0 | 113.7 | F107 | F107-N109 PolarHBondContact O-N 3.49Å |
| 110 | K | 89.8 | Confident | 90.4 | Very high | 185 Ų | 185 | 74.6 Ų | 74.6 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -115.8 | -41.5 | -172.5 | -63.1 | -61.6 | -173.8 | -178.3 | 0 | 113.6 | F107 Y108 | F107-K110 PolarHBondContact O-N 3.31Å; F107-K110 VanDerWaalsContact O-N 3.07Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.88Å |
| 111 | T | 89 | Confident | 90.4 | Very high | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -125.8 | 4.9 | -167.1 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | F107 G115 | F107-T111 PolarHBondContact O-N 3.12Å; F107-T111 PolarHBondContact O-OG1 3.33Å; T111-G115 PolarHBondContact O-N 3.34Å; T111-G115 VanDerWaalsContact OG1-CA 3.3Å; T111-G115 WeakPolarHBondContact OG1-CA 3.44Å |
| 112 | G | 90.9 | Very high | 90.7 | Very high | 32 Ų | 32 | 79.4 Ų | 79.4 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -167.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F107 T114 G115 | F107-G112 PolarHBondContact O-N 3.04Å; G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.34Å; G112-G115 PolarHBondContact O-N 2.87Å |
| 113 | V | 90 | Very high | 90.8 | Very high | 96 Ų | 96 | 78 Ų | 78 | 58% | 0.582 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.6 | -177.1 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | Y108 Y117 | Y108-V113 HydrophobicContact CD1-CG1 4.14Å; Y108-V113 HydrophobicContact CE1-CB 4.21Å; Y108-V113 HydrophobicContact CE1-CG1 3.96Å; V113-Y117 WeakPolarHBondContact O-CD2 3.27Å; V113-Y117 WeakPolarHBondContact O-CE2 3.27Å |
| 114 | T | 91.6 | Very high | 90.8 | Very high | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -23.8 | 178.1 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | G112 Y117 M118 | G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.34Å; T114-Y117 PolarHBondContact O-N 3.47Å; T114-Y117 VanDerWaalsContact O-N 3.13Å; T114-M118 WeakPolarHBondContact O-CG 3.38Å; T114-M118 PolarHBondContact O-N 2.94Å |
| 115 | G | 90.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 83.2 Ų | 83.2 | 7% | 0.072 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -49.1 | -56.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T111 G112 Y117 M118 F119 | T111-G115 PolarHBondContact O-N 3.34Å; T111-G115 VanDerWaalsContact OG1-CA 3.3Å; T111-G115 WeakPolarHBondContact OG1-CA 3.44Å; G112-G115 PolarHBondContact O-N 2.87Å; G115-Y117 VanDerWaalsContact C-N 3.29Å; G115-Y117 PolarHBondContact O-N 3.34Å; G115-M118 PolarHBondContact O-N 3.49Å; G115-F119 WeakPolarHBondContact O-CB 3.43Å; G115-F119 PolarHBondContact O-N 3.42Å |
| 116 | P | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 177.8 | -28.9 | 38.1 | 0 | 0 | 0 | 113.3 | W103 F104 F107 Y108 F119 M120 | W103-P116 HydrophobicContact CZ3-CB 3.81Å; F104-P116 HydrophobicContact CB-CG 4.1Å; F104-P116 HydrophobicContact CD1-CB 3.23Å; F104-P116 HydrophobicContact CD1-CG 3.52Å; F104-P116 HydrophobicContact CE1-CB 3.55Å; F104-P116 HydrophobicContact CE1-CG 4.33Å; F104-P116 HydrophobicContact CG-CB 4.1Å; F104-P116 HydrophobicContact CG-CG 4.16Å; F107-P116 HydrophobicContact CB-CG 3.47Å; F107-P116 VanDerWaalsContact CB-CG 3.47Å; F107-P116 HydrophobicContact CD2-CB 4.34Å; F107-P116 HydrophobicContact CD2-CG 3.87Å; F107-P116 HydrophobicContact CG-CG 3.78Å; Y108-P116 HydrophobicContact CE1-CG 4.35Å; P116-F119 PolarHBondContact O-N 3.47Å; P116-M120 VanDerWaalsContact O-CG 3.31Å; P116-M120 WeakPolarHBondContact O-CG 3.39Å; P116-M120 PolarHBondContact O-N 2.95Å |
| 117 | Y | 92.2 | Very high | 91.2 | Very high | 95 Ų | 95 | 80 Ų | 80 | 37% | 0.373 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | -179 | -55.7 | -69.6 | 0 | 0 | 0 | 111.4 | R95 M96 F104 V113 T114 G115 M120 F121 | R95-Y117 PolarHBondContact NH1-OH 2.86Å; M96-Y117 HydrophobicContact CE-CD1 4.28Å; M96-Y117 HydrophobicContact CE-CE1 4.27Å; M96-Y117 HydrophobicContact SD-CD1 4.31Å; M96-Y117 HydrophobicContact SD-CE1 4.29Å; F104-Y117 HydrophobicContact CE1-CD1 4.3Å; F104-Y117 AromaticContact CE1-CE1 3.79Å; F104-Y117 HydrophobicContact CE1-CE1 3.79Å; F104-Y117 AromaticContact CE1-CZ 3.97Å; F104-Y117 HydrophobicContact CZ-CE1 4.45Å; V113-Y117 WeakPolarHBondContact O-CD2 3.27Å; V113-Y117 WeakPolarHBondContact O-CE2 3.27Å; T114-Y117 PolarHBondContact O-N 3.47Å; T114-Y117 VanDerWaalsContact O-N 3.13Å; G115-Y117 VanDerWaalsContact C-N 3.29Å; G115-Y117 PolarHBondContact O-N 3.34Å; Y117-M120 PolarHBondContact O-N 3.36Å; Y117-F121 WeakPolarHBondContact O-CB 3.36Å; Y117-F121 PolarHBondContact O-N 2.78Å |
| 118 | M | 91.8 | Very high | 91.1 | Very high | 128 Ų | 128 | 79.8 Ų | 79.8 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | 174.7 | -72.7 | -63 | -170.8 | 0 | 0 | 112 | T114 G115 F121 G122 | T114-M118 WeakPolarHBondContact O-CG 3.38Å; T114-M118 PolarHBondContact O-N 2.94Å; G115-M118 PolarHBondContact O-N 3.49Å; M118-F121 PolarHBondContact O-N 3.27Å; M118-G122 PolarHBondContact O-N 2.75Å |
| 119 | F | 92 | Very high | 91.2 | Very high | 100 Ų | 100 | 83.3 Ų | 83.3 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.1 | 175.1 | -91.7 | 0 | 0 | 0 | 111.3 | W103 F107 G115 P116 S123 | W103-F119 AromaticContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CE1 4.22Å; W103-F119 AromaticContact CZ2-CD1 3.87Å; W103-F119 HydrophobicContact CZ2-CD1 3.87Å; W103-F119 AromaticContact CZ2-CE1 3.89Å; W103-F119 HydrophobicContact CZ2-CE1 3.89Å; F107-F119 HydrophobicContact CE1-CB 4.13Å; F107-F119 HydrophobicContact CE1-CD2 4.22Å; F107-F119 HydrophobicContact CE1-CG 4.1Å; F107-F119 HydrophobicContact CZ-CB 4.36Å; F107-F119 HydrophobicContact CZ-CD1 4.19Å; F107-F119 HydrophobicContact CZ-CD2 4.32Å; F107-F119 HydrophobicContact CZ-CG 4.01Å; G115-F119 WeakPolarHBondContact O-CB 3.43Å; G115-F119 PolarHBondContact O-N 3.42Å; P116-F119 PolarHBondContact O-N 3.47Å; F119-S123 VanDerWaalsContact O-CB 3.25Å; F119-S123 WeakPolarHBondContact O-CB 3.47Å; F119-S123 PolarHBondContact O-N 3.27Å; F119-S123 PolarHBondContact O-OG 3.35Å |
| 120 | M | 90.4 | Very high | 91.3 | Very high | 49 Ų | 49 | 82.8 Ų | 82.8 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.6 | -68.6 | -51.3 | -138.5 | 0 | 0 | 112.4 | F99 W103 P116 Y117 S123 F124 | F99-M120 HydrophobicContact CD1-CE 3.63Å; F99-M120 HydrophobicContact CD2-CE 3.9Å; F99-M120 HydrophobicContact CE1-CE 3.1Å; F99-M120 HydrophobicContact CE2-CE 3.4Å; F99-M120 HydrophobicContact CG-CE 4.02Å; F99-M120 HydrophobicContact CZ-CE 2.99Å; W103-M120 HydrophobicContact CH2-CE 3.58Å; W103-M120 HydrophobicContact CH2-CG 3.88Å; W103-M120 HydrophobicContact CH2-SD 3.62Å; W103-M120 HydrophobicContact CZ2-CE 3.97Å; W103-M120 HydrophobicContact CZ2-SD 4.13Å; W103-M120 HydrophobicContact CZ3-CE 3.95Å; W103-M120 HydrophobicContact CZ3-CG 4.24Å; W103-M120 HydrophobicContact CZ3-SD 4.39Å; P116-M120 VanDerWaalsContact O-CG 3.31Å; P116-M120 WeakPolarHBondContact O-CG 3.39Å; P116-M120 PolarHBondContact O-N 2.95Å; Y117-M120 PolarHBondContact O-N 3.36Å; M120-S123 PolarHBondContact O-N 2.63Å; M120-F124 VanDerWaalsContact O-CB 3.28Å; M120-F124 WeakPolarHBondContact O-CB 3.41Å; M120-F124 PolarHBondContact O-N 2.96Å |
| 121 | F | 92.1 | Very high | 91.2 | Very high | 137 Ų | 137 | 80.6 Ų | 80.6 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 176.7 | -178.4 | -101.6 | 0 | 0 | 0 | 112 | Y117 M118 F124 M125 | Y117-F121 WeakPolarHBondContact O-CB 3.36Å; Y117-F121 PolarHBondContact O-N 2.78Å; M118-F121 PolarHBondContact O-N 3.27Å; F121-F124 PolarHBondContact O-N 3.35Å; F121-M125 WeakPolarHBondContact O-CB 3.37Å; F121-M125 PolarHBondContact O-N 2.99Å |
| 122 | G | 93.4 | Very high | 91 | Very high | 37 Ų | 37 | 82.3 Ų | 82.3 | 38% | 0.381 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M118 M125 F126 | M118-G122 PolarHBondContact O-N 2.75Å; G122-M125 PolarHBondContact O-N 3.29Å; G122-F126 VanDerWaalsContact O-CB 3.27Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 3.19Å |
| 123 | S | 91.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 84.8 Ų | 84.8 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | F119 M120 F126 L127 | F119-S123 VanDerWaalsContact O-CB 3.25Å; F119-S123 WeakPolarHBondContact O-CB 3.47Å; F119-S123 PolarHBondContact O-N 3.27Å; F119-S123 PolarHBondContact O-OG 3.35Å; M120-S123 PolarHBondContact O-N 2.63Å; S123-F126 PolarHBondContact O-N 3.46Å; S123-L127 WeakPolarHBondContact O-CD1 3.32Å; S123-L127 VanDerWaalsContact O-CG 3.26Å; S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 2.96Å |
| 124 | F | 90.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 84.9 Ų | 84.9 | 37% | 0.373 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.8 | 179.8 | -98.6 | 0 | 0 | 0 | 111.8 | M120 F121 F126 L127 I128 W133 | M120-F124 VanDerWaalsContact O-CB 3.28Å; M120-F124 WeakPolarHBondContact O-CB 3.41Å; M120-F124 PolarHBondContact O-N 2.96Å; F121-F124 PolarHBondContact O-N 3.35Å; F124-F126 VanDerWaalsContact C-N 3.32Å; F124-F126 PolarHBondContact O-N 2.92Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 3.01Å; F124-I128 HydrophobicContact CD1-CD1 3.9Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CZ-CD1 3.77Å; F124-I128 PolarHBondContact O-N 3.32Å; F124-W133 HydrophobicContact CD2-CE3 4.17Å; F124-W133 AromaticContact CD2-CZ3 3.66Å; F124-W133 HydrophobicContact CD2-CZ3 3.66Å; F124-W133 AromaticContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CH2 4.01Å; F124-W133 AromaticContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CZ-CZ3 4.47Å |
| 125 | M | 91.8 | Very high | 89.7 | Confident | 102 Ų | 102 | 86.4 Ų | 86.4 | 50% | 0.502 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.2 | -165.4 | 66.2 | -166.8 | 0 | 0 | 112.2 | F121 G122 I128 N129 | F121-M125 WeakPolarHBondContact O-CB 3.37Å; F121-M125 PolarHBondContact O-N 2.99Å; G122-M125 PolarHBondContact O-N 3.29Å; M125-I128 PolarHBondContact O-N 3.01Å; M125-N129 WeakPolarHBondContact O-CB 3.27Å; M125-N129 PolarHBondContact O-N 3.44Å |
| 126 | F | 93.2 | Very high | 89.3 | Confident | 115 Ų | 115 | 91.2 Ų | 91.2 | 50% | 0.504 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.2 | 173.4 | -97.4 | 0 | 0 | 0 | 112 | G122 S123 F124 I128 N129 K130 I132 | G122-F126 VanDerWaalsContact O-CB 3.27Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 3.19Å; S123-F126 PolarHBondContact O-N 3.46Å; F124-F126 VanDerWaalsContact C-N 3.32Å; F124-F126 PolarHBondContact O-N 2.92Å; F126-I128 VanDerWaalsContact C-N 3.3Å; F126-I128 PolarHBondContact O-N 3Å; F126-N129 PolarHBondContact O-N 3.33Å; F126-K130 HydrophobicContact CD2-CG 4.2Å; F126-K130 HydrophobicContact CE1-CG 4.34Å; F126-K130 HydrophobicContact CE2-CG 3.71Å; F126-K130 HydrophobicContact CZ-CG 3.79Å; F126-K130 WeakPolarHBondContact O-CB 3.48Å; F126-K130 PolarHBondContact O-N 3.07Å; F126-I132 HydrophobicContact CE1-CD1 4.3Å |
| 127 | L | 91.6 | Very high | 88.9 | Confident | 59 Ų | 59 | 93.8 Ų | 93.8 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 177 | -72.7 | 160.9 | 0 | 0 | 0 | 112.3 | S123 F124 E131 I132 W133 | S123-L127 WeakPolarHBondContact O-CD1 3.32Å; S123-L127 VanDerWaalsContact O-CG 3.26Å; S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 2.96Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 3.01Å; L127-E131 PolarHBondContact O-N 3.29Å; L127-I132 HydrophobicContact CD2-CB 3.98Å; L127-I132 HydrophobicContact CD2-CD1 4.27Å; L127-I132 HydrophobicContact CD2-CG2 3.75Å; L127-I132 PolarHBondContact O-N 2.91Å; L127-I132 VanDerWaalsContact O-N 3.1Å; L127-W133 HydrophobicContact CB-CB 4.37Å; L127-W133 PolarHBondContact O-N 3.42Å |
| 128 | I | 89.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.8 | -50.2 | 175.5 | -68.6 | 169 | 0 | 0 | 0 | 110.8 | F124 M125 F126 K130 E131 F135 | F124-I128 HydrophobicContact CD1-CD1 3.9Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CZ-CD1 3.77Å; F124-I128 PolarHBondContact O-N 3.32Å; M125-I128 PolarHBondContact O-N 3.01Å; F126-I128 VanDerWaalsContact C-N 3.3Å; F126-I128 PolarHBondContact O-N 3Å; I128-K130 VanDerWaalsContact C-N 3.25Å; I128-K130 PolarHBondContact O-N 3.21Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-E131 VanDerWaalsContact O-N 3.1Å; I128-F135 HydrophobicContact CB-CE2 4.5Å; I128-F135 HydrophobicContact CD1-CE2 4.16Å; I128-F135 HydrophobicContact CD1-CZ 3.87Å; I128-F135 HydrophobicContact CG1-CE2 3.92Å; I128-F135 HydrophobicContact CG1-CZ 3.99Å; I128-F135 HydrophobicContact CG2-CE2 3.91Å |
| 129 | N | 91.8 | Very high | 88.2 | Confident | 136 Ų | 136 | 90.9 Ų | 90.9 | 73% | 0.727 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.1 | -27.7 | -176.3 | -169.6 | 34.6 | 0 | 0 | 0 | 112.9 | M125 F126 E131 | M125-N129 WeakPolarHBondContact O-CB 3.27Å; M125-N129 PolarHBondContact O-N 3.44Å; F126-N129 PolarHBondContact O-N 3.33Å; N129-E131 VanDerWaalsContact C-N 3.33Å |
| 130 | K | 91.2 | Very high | 88 | Confident | 134 Ų | 134 | 90.8 Ų | 90.8 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.7 | 175.6 | -80.6 | -70 | -174.1 | 179.9 | 0 | 114.2 | F126 I128 I132 | F126-K130 HydrophobicContact CD2-CG 4.2Å; F126-K130 HydrophobicContact CE1-CG 4.34Å; F126-K130 HydrophobicContact CE2-CG 3.71Å; F126-K130 HydrophobicContact CZ-CG 3.79Å; F126-K130 WeakPolarHBondContact O-CB 3.48Å; F126-K130 PolarHBondContact O-N 3.07Å; I128-K130 VanDerWaalsContact C-N 3.25Å; I128-K130 PolarHBondContact O-N 3.21Å; K130-I132 HydrophobicContact CB-CD1 3.89Å; K130-I132 HydrophobicContact CB-CG1 3.96Å; K130-I132 PolarHBondContact O-N 3.11Å |
| 131 | E | 87.5 | Confident | 87.9 | Confident | 139 Ų | 139 | 94.1 Ų | 94.1 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 25.9 | -178.1 | -162.5 | 172.8 | 179.8 | 0 | 0 | 112.4 | L127 I128 N129 W133 I134 | L127-E131 PolarHBondContact O-N 3.29Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-E131 VanDerWaalsContact O-N 3.1Å; N129-E131 VanDerWaalsContact C-N 3.33Å; E131-W133 VanDerWaalsContact C-N 3.26Å; E131-I134 HydrophobicContact CG-CG1 3.6Å; E131-I134 VanDerWaalsContact O-CD1 3.22Å; E131-I134 WeakPolarHBondContact O-CD1 3.32Å; E131-I134 WeakPolarHBondContact O-CG1 3.37Å |
| 132 | I | 85.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -73.6 | -32.9 | 171.1 | -62.6 | 167.4 | 0 | 0 | 0 | 108.3 | F126 L127 K130 | F126-I132 HydrophobicContact CE1-CD1 4.3Å; L127-I132 HydrophobicContact CD2-CB 3.98Å; L127-I132 HydrophobicContact CD2-CD1 4.27Å; L127-I132 HydrophobicContact CD2-CG2 3.75Å; L127-I132 PolarHBondContact O-N 2.91Å; L127-I132 VanDerWaalsContact O-N 3.1Å; K130-I132 HydrophobicContact CB-CD1 3.89Å; K130-I132 HydrophobicContact CB-CG1 3.96Å; K130-I132 PolarHBondContact O-N 3.11Å |
| 133 | W | 81.3 | Confident | 87.4 | Confident | 83 Ų | 83 | 93 Ų | 93 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -108 | 96.9 | 170.2 | -158 | -9 | 0 | 0 | 0 | 110.4 | F124 L127 E131 F139 F142 | F124-W133 HydrophobicContact CD2-CE3 4.17Å; F124-W133 AromaticContact CD2-CZ3 3.66Å; F124-W133 HydrophobicContact CD2-CZ3 3.66Å; F124-W133 AromaticContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CH2 4.01Å; F124-W133 AromaticContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CZ-CZ3 4.47Å; L127-W133 HydrophobicContact CB-CB 4.37Å; L127-W133 PolarHBondContact O-N 3.42Å; E131-W133 VanDerWaalsContact C-N 3.26Å; W133-F139 HydrophobicContact CD2-CE2 4.22Å; W133-F139 AromaticContact CE2-CD2 3.87Å; W133-F139 AromaticContact CE2-CE2 3.46Å; W133-F139 VanDerWaalsContact CE2-CE2 3.46Å; W133-F139 HydrophobicContact CH2-CE2 4.26Å; W133-F139 HydrophobicContact CZ2-CD2 4.15Å; W133-F139 AromaticContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CE2 3.48Å; W133-F139 VanDerWaalsContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CZ 4.4Å; W133-F139 AromaticContact NE1-CD2 3.44Å; W133-F139 AromaticContact NE1-CE2 3.54Å; W133-F142 AromaticContact CH2-CE1 3.88Å; W133-F142 HydrophobicContact CH2-CE1 3.88Å; W133-F142 AromaticContact CZ2-CD1 3.88Å; W133-F142 HydrophobicContact CZ2-CD1 3.88Å; W133-F142 AromaticContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CZ 4.46Å |
| 134 | I | 81.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 94.9 Ų | 94.9 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | trans | -81.3 | 130.2 | 178 | -55.2 | 98.1 | 0 | 0 | 0 | 109.7 | E131 D136 | E131-I134 HydrophobicContact CG-CG1 3.6Å; E131-I134 VanDerWaalsContact O-CD1 3.22Å; E131-I134 WeakPolarHBondContact O-CD1 3.32Å; E131-I134 WeakPolarHBondContact O-CG1 3.37Å; I134-D136 VanDerWaalsContact C-N 3.27Å; I134-D136 PolarHBondContact O-N 3.01Å | ||
| 135 | F | 82.4 | Confident | 87.4 | Confident | 116 Ų | 116 | 97.1 Ų | 97.1 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | trans | -80 | 74.6 | 172.2 | -68.6 | -80.2 | 0 | 0 | 0 | 110.4 | I128 F139 | I128-F135 HydrophobicContact CB-CE2 4.5Å; I128-F135 HydrophobicContact CD1-CE2 4.16Å; I128-F135 HydrophobicContact CD1-CZ 3.87Å; I128-F135 HydrophobicContact CG1-CE2 3.92Å; I128-F135 HydrophobicContact CG1-CZ 3.99Å; I128-F135 HydrophobicContact CG2-CE2 3.91Å; F135-F139 HydrophobicContact CD1-CB 4.26Å; F135-F139 AromaticContact CD1-CD1 3.48Å; F135-F139 HydrophobicContact CD1-CD1 3.48Å; F135-F139 VanDerWaalsContact CD1-CD1 3.48Å; F135-F139 AromaticContact CD1-CD2 3.66Å; F135-F139 HydrophobicContact CD1-CD2 3.66Å; F135-F139 AromaticContact CD1-CE1 3.66Å; F135-F139 HydrophobicContact CD1-CE1 3.66Å; F135-F139 AromaticContact CD1-CE2 3.82Å; F135-F139 HydrophobicContact CD1-CE2 3.82Å; F135-F139 AromaticContact CD1-CG 3.5Å; F135-F139 HydrophobicContact CD1-CG 3.5Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 AromaticContact CE1-CD1 3.79Å; F135-F139 HydrophobicContact CE1-CD1 3.79Å; F135-F139 AromaticContact CE1-CD2 3.9Å; F135-F139 HydrophobicContact CE1-CD2 3.9Å; F135-F139 AromaticContact CE1-CE1 3.43Å; F135-F139 HydrophobicContact CE1-CE1 3.43Å; F135-F139 VanDerWaalsContact CE1-CE1 3.43Å; F135-F139 AromaticContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 AromaticContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CZ-CE2 4.46Å; F135-F139 HydrophobicContact CZ-CZ 4.35Å | ||
| 136 | D | 81.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | trans | -83 | 171.4 | 168.9 | -162.9 | 7.2 | 0 | 0 | 0 | 110.8 | I134 H138 F139 | I134-D136 VanDerWaalsContact C-N 3.27Å; I134-D136 PolarHBondContact O-N 3.01Å; D136-H138 PolarHBondContact O-N 3.19Å; D136-H138 IonicContact OD2-CD2 3.66Å; D136-F139 WeakPolarHBondContact O-CB 3.34Å; D136-F139 PolarHBondContact O-N 2.87Å | ||
| 137 | G | 84.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 97 Ų | 97 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -32.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F139 V140 | G137-F139 PolarHBondContact O-N 3.3Å; G137-V140 PolarHBondContact O-N 3.31Å |
| 138 | H | 84.4 | Confident | 87.2 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 57% | 0.569 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -18.8 | 174.6 | -67.1 | -63.4 | 0 | 0 | 0 | 114.6 | D136 V140 E141 F142 | D136-H138 PolarHBondContact O-N 3.19Å; D136-H138 IonicContact OD2-CD2 3.66Å; H138-V140 VanDerWaalsContact C-N 3.29Å; H138-V140 PolarHBondContact O-N 2.91Å; H138-E141 IonicContact CE1-OE2 2.87Å; H138-E141 IonicContact CG-OE2 3.9Å; H138-E141 IonicContact ND1-OE2 3.83Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 WeakPolarHBondContact O-CB 3.35Å; H138-E141 PolarHBondContact O-N 2.63Å; H138-F142 PolarHBondContact O-N 3.38Å; H138-F142 VanDerWaalsContact O-N 3.11Å |
| 139 | F | 85 | Confident | 87.3 | Confident | 39 Ų | 39 | 98.9 Ų | 98.9 | 17% | 0.171 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 177.8 | -176.6 | -88.1 | 0 | 0 | 0 | 112.4 | W133 F135 D136 G137 E141 F142 T143 | W133-F139 HydrophobicContact CD2-CE2 4.22Å; W133-F139 AromaticContact CE2-CD2 3.87Å; W133-F139 AromaticContact CE2-CE2 3.46Å; W133-F139 VanDerWaalsContact CE2-CE2 3.46Å; W133-F139 HydrophobicContact CH2-CE2 4.26Å; W133-F139 HydrophobicContact CZ2-CD2 4.15Å; W133-F139 AromaticContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CE2 3.48Å; W133-F139 VanDerWaalsContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CZ 4.4Å; W133-F139 AromaticContact NE1-CD2 3.44Å; W133-F139 AromaticContact NE1-CE2 3.54Å; F135-F139 HydrophobicContact CD1-CB 4.26Å; F135-F139 AromaticContact CD1-CD1 3.48Å; F135-F139 HydrophobicContact CD1-CD1 3.48Å; F135-F139 VanDerWaalsContact CD1-CD1 3.48Å; F135-F139 AromaticContact CD1-CD2 3.66Å; F135-F139 HydrophobicContact CD1-CD2 3.66Å; F135-F139 AromaticContact CD1-CE1 3.66Å; F135-F139 HydrophobicContact CD1-CE1 3.66Å; F135-F139 AromaticContact CD1-CE2 3.82Å; F135-F139 HydrophobicContact CD1-CE2 3.82Å; F135-F139 AromaticContact CD1-CG 3.5Å; F135-F139 HydrophobicContact CD1-CG 3.5Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 AromaticContact CE1-CD1 3.79Å; F135-F139 HydrophobicContact CE1-CD1 3.79Å; F135-F139 AromaticContact CE1-CD2 3.9Å; F135-F139 HydrophobicContact CE1-CD2 3.9Å; F135-F139 AromaticContact CE1-CE1 3.43Å; F135-F139 HydrophobicContact CE1-CE1 3.43Å; F135-F139 VanDerWaalsContact CE1-CE1 3.43Å; F135-F139 AromaticContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 AromaticContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CZ-CE2 4.46Å; F135-F139 HydrophobicContact CZ-CZ 4.35Å; D136-F139 WeakPolarHBondContact O-CB 3.34Å; D136-F139 PolarHBondContact O-N 2.87Å; G137-F139 PolarHBondContact O-N 3.3Å; F139-E141 VanDerWaalsContact C-N 3.31Å; F139-F142 PolarHBondContact O-N 2.99Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.46Å; F139-T143 PolarHBondContact O-N 3.34Å; F139-T143 PolarHBondContact O-OG1 3.31Å |
| 140 | V | 86.5 | Confident | 87.2 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | G137 H138 T143 T144 | G137-V140 PolarHBondContact O-N 3.31Å; H138-V140 VanDerWaalsContact C-N 3.29Å; H138-V140 PolarHBondContact O-N 2.91Å; V140-T143 PolarHBondContact O-N 3.36Å; V140-T144 HydrophobicContact CG1-CG2 4.46Å; V140-T144 WeakPolarHBondContact O-CB 3.4Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 2.95Å; V140-T144 PolarHBondContact O-OG1 3.37Å |
| 141 | E | 89.6 | Confident | 87.2 | Confident | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 174.5 | -57.3 | 178.7 | 158 | 0 | 0 | 111.3 | H138 F139 T144 F145 | H138-E141 IonicContact CE1-OE2 2.87Å; H138-E141 IonicContact CG-OE2 3.9Å; H138-E141 IonicContact ND1-OE2 3.83Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 WeakPolarHBondContact O-CB 3.35Å; H138-E141 PolarHBondContact O-N 2.63Å; F139-E141 VanDerWaalsContact C-N 3.31Å; E141-T144 WeakPolarHBondContact CA-OG1 3.47Å; E141-T144 PolarHBondContact O-OG1 3.24Å; E141-F145 WeakPolarHBondContact O-CB 3.33Å; E141-F145 PolarHBondContact O-N 3.26Å |
| 142 | F | 87.9 | Confident | 87.5 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.8 | 178.6 | -102.5 | 0 | 0 | 0 | 112.7 | W133 H138 F139 F145 L146 | W133-F142 AromaticContact CH2-CE1 3.88Å; W133-F142 HydrophobicContact CH2-CE1 3.88Å; W133-F142 AromaticContact CZ2-CD1 3.88Å; W133-F142 HydrophobicContact CZ2-CD1 3.88Å; W133-F142 AromaticContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CZ 4.46Å; H138-F142 PolarHBondContact O-N 3.38Å; H138-F142 VanDerWaalsContact O-N 3.11Å; F139-F142 PolarHBondContact O-N 2.99Å; F142-F145 PolarHBondContact O-N 2.81Å; F142-L146 HydrophobicContact CD1-CD1 4.01Å; F142-L146 HydrophobicContact CD1-CG 4.37Å; F142-L146 HydrophobicContact CE1-CD1 3.27Å; F142-L146 HydrophobicContact CE1-CG 3.92Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 4.39Å; F142-L146 HydrophobicContact CE2-CG 4.21Å; F142-L146 HydrophobicContact CZ-CD1 3.49Å; F142-L146 VanDerWaalsContact CZ-CD1 3.49Å; F142-L146 HydrophobicContact CZ-CD2 4.14Å; F142-L146 HydrophobicContact CZ-CG 3.83Å; F142-L146 PolarHBondContact O-N 2.99Å |
| 143 | T | 86.8 | Confident | 87.7 | Confident | 63 Ų | 63 | 91.1 Ų | 91.1 | 39% | 0.387 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F139 V140 L146 F147 | F139-T143 WeakPolarHBondContact CE1-OG1 3.46Å; F139-T143 PolarHBondContact O-N 3.34Å; F139-T143 PolarHBondContact O-OG1 3.31Å; V140-T143 PolarHBondContact O-N 3.36Å; T143-L146 PolarHBondContact O-N 3.31Å; T143-F147 WeakPolarHBondContact O-CB 3.28Å; T143-F147 PolarHBondContact O-N 3.24Å |
| 144 | T | 89.9 | Confident | 88 | Confident | 79 Ų | 79 | 95 Ų | 95 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 175 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | V140 E141 F147 M148 | V140-T144 HydrophobicContact CG1-CG2 4.46Å; V140-T144 WeakPolarHBondContact O-CB 3.4Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 2.95Å; V140-T144 PolarHBondContact O-OG1 3.37Å; E141-T144 WeakPolarHBondContact CA-OG1 3.47Å; E141-T144 PolarHBondContact O-OG1 3.24Å; T144-F147 PolarHBondContact O-N 3.42Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 WeakPolarHBondContact O-CG 3.26Å; T144-M148 PolarHBondContact O-N 3.07Å |
| 145 | F | 91.3 | Very high | 88.4 | Confident | 132 Ų | 132 | 95 Ų | 95 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 173.4 | 174 | -97.9 | 0 | 0 | 0 | 112.9 | E141 F142 M148 S149 | E141-F145 WeakPolarHBondContact O-CB 3.33Å; E141-F145 PolarHBondContact O-N 3.26Å; F142-F145 PolarHBondContact O-N 2.81Å; F145-M148 PolarHBondContact O-N 3.43Å; F145-S149 VanDerWaalsContact O-CB 3.29Å; F145-S149 WeakPolarHBondContact O-CB 3.47Å; F145-S149 PolarHBondContact O-N 2.93Å; F145-S149 PolarHBondContact O-OG 3.25Å |
| 146 | L | 89.8 | Confident | 88.9 | Confident | 81 Ų | 81 | 95.5 Ų | 95.5 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.7 | -75.7 | -173.6 | 0 | 0 | 0 | 111.7 | F142 T143 S149 V150 | F142-L146 HydrophobicContact CD1-CD1 4.01Å; F142-L146 HydrophobicContact CD1-CG 4.37Å; F142-L146 HydrophobicContact CE1-CD1 3.27Å; F142-L146 HydrophobicContact CE1-CG 3.92Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 4.39Å; F142-L146 HydrophobicContact CE2-CG 4.21Å; F142-L146 HydrophobicContact CZ-CD1 3.49Å; F142-L146 VanDerWaalsContact CZ-CD1 3.49Å; F142-L146 HydrophobicContact CZ-CD2 4.14Å; F142-L146 HydrophobicContact CZ-CG 3.83Å; F142-L146 PolarHBondContact O-N 2.99Å; T143-L146 PolarHBondContact O-N 3.31Å; L146-S149 PolarHBondContact O-N 2.89Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 2.96Å |
| 147 | F | 91.8 | Very high | 89.3 | Confident | 134 Ų | 134 | 91.8 Ų | 91.8 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 177.9 | -177.4 | -104.8 | 0 | 0 | 0 | 111.6 | T143 T144 S149 V150 L151 | T143-F147 WeakPolarHBondContact O-CB 3.28Å; T143-F147 PolarHBondContact O-N 3.24Å; T144-F147 PolarHBondContact O-N 3.42Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.43Å; F147-V150 PolarHBondContact O-N 3.41Å; F147-L151 HydrophobicContact CD1-CD1 3.86Å; F147-L151 HydrophobicContact CD1-CG 4.41Å; F147-L151 HydrophobicContact CE1-CD1 3.33Å; F147-L151 HydrophobicContact CE1-CG 4.09Å; F147-L151 HydrophobicContact CZ-CD1 3.73Å; F147-L151 HydrophobicContact CZ-CD2 4.39Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.49Å; F147-L151 PolarHBondContact O-N 2.94Å |
| 148 | M | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.9 | -75.2 | -61.3 | -70 | 0 | 0 | 112 | T144 F145 V150 L151 I152 | T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 WeakPolarHBondContact O-CG 3.26Å; T144-M148 PolarHBondContact O-N 3.07Å; F145-M148 PolarHBondContact O-N 3.43Å; M148-V150 PolarHBondContact O-N 3.22Å; M148-L151 PolarHBondContact O-N 3.16Å; M148-L151 HydrophobicContact SD-CD1 4.49Å; M148-I152 WeakPolarHBondContact O-CB 3.36Å; M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 3.3Å |
| 149 | S | 90.7 | Very high | 89.9 | Confident | 39 Ų | 39 | 95 Ų | 95 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.1 | -65 | 0 | 0 | 0 | 0 | 111.9 | F145 L146 F147 I152 V153 | F145-S149 VanDerWaalsContact O-CB 3.29Å; F145-S149 WeakPolarHBondContact O-CB 3.47Å; F145-S149 PolarHBondContact O-N 2.93Å; F145-S149 PolarHBondContact O-OG 3.25Å; L146-S149 PolarHBondContact O-N 2.89Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.43Å; S149-I152 PolarHBondContact O-N 3.44Å; S149-V153 WeakPolarHBondContact O-CB 3.27Å; S149-V153 VanDerWaalsContact O-CG2 3.27Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 2.99Å |
| 150 | V | 90.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L146 F147 M148 K154 | L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 2.96Å; F147-V150 PolarHBondContact O-N 3.41Å; M148-V150 PolarHBondContact O-N 3.22Å; V150-K154 HydrophobicContact CG1-CD 4.44Å; V150-K154 WeakPolarHBondContact O-CB 3.46Å; V150-K154 WeakPolarHBondContact O-CG 3.49Å; V150-K154 PolarHBondContact O-N 3.48Å |
| 151 | L | 91.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 97.8 Ų | 97.8 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 175.8 | -72.5 | -176.5 | 0 | 0 | 0 | 111.9 | F147 M148 K154 V155 | F147-L151 HydrophobicContact CD1-CD1 3.86Å; F147-L151 HydrophobicContact CD1-CG 4.41Å; F147-L151 HydrophobicContact CE1-CD1 3.33Å; F147-L151 HydrophobicContact CE1-CG 4.09Å; F147-L151 HydrophobicContact CZ-CD1 3.73Å; F147-L151 HydrophobicContact CZ-CD2 4.39Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.49Å; F147-L151 PolarHBondContact O-N 2.94Å; M148-L151 PolarHBondContact O-N 3.16Å; M148-L151 HydrophobicContact SD-CD1 4.49Å; L151-K154 PolarHBondContact O-N 3.22Å; L151-V155 WeakPolarHBondContact O-CB 3.38Å; L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 2.95Å |
| 152 | I | 92.2 | Very high | 90.5 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 178.1 | -69.2 | 164 | 0 | 0 | 0 | 110.3 | M148 S149 K154 V155 F156 | M148-I152 WeakPolarHBondContact O-CB 3.36Å; M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 3.3Å; S149-I152 PolarHBondContact O-N 3.44Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.82Å; I152-V155 PolarHBondContact O-N 2.97Å; I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact O-CA 3.49Å; I152-F156 WeakPolarHBondContact O-CB 3.49Å; I152-F156 PolarHBondContact O-N 3.41Å |
| 153 | V | 90.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 100 Ų | 100 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | S149 G157 | S149-V153 WeakPolarHBondContact O-CB 3.27Å; S149-V153 VanDerWaalsContact O-CG2 3.27Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 2.99Å; V153-G157 WeakPolarHBondContact O-CA 3.47Å; V153-G157 PolarHBondContact O-N 3.29Å |
| 154 | K | 88.4 | Confident | 91.1 | Very high | 164 Ų | 164 | 102.5 Ų | 102.5 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.3 | -40.4 | 178.4 | -78.6 | -168.4 | 174.6 | 178.3 | 0 | 113.6 | V150 L151 I152 | V150-K154 HydrophobicContact CG1-CD 4.44Å; V150-K154 WeakPolarHBondContact O-CB 3.46Å; V150-K154 WeakPolarHBondContact O-CG 3.49Å; V150-K154 PolarHBondContact O-N 3.48Å; L151-K154 PolarHBondContact O-N 3.22Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.82Å |
| 155 | V | 89.6 | Confident | 91.3 | Very high | 98 Ų | 98 | 103 Ų | 103 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80.8 | -48.2 | -177.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L151 I152 | L151-V155 WeakPolarHBondContact O-CB 3.38Å; L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 2.95Å; I152-V155 PolarHBondContact O-N 2.97Å |
| 156 | F | 91.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -85.8 | -28.1 | -175.6 | -164.5 | -103.8 | 0 | 0 | 0 | 112.5 | I152 A158 R159 A160 | I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact O-CA 3.49Å; I152-F156 WeakPolarHBondContact O-CB 3.49Å; I152-F156 PolarHBondContact O-N 3.41Å; F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.03Å; F156-R159 PolarHBondContact O-N 3Å; F156-A160 HydrophobicContact CD1-CB 3.84Å; F156-A160 HydrophobicContact CE1-CB 3.75Å; F156-A160 WeakPolarHBondContact O-CB 3.47Å; F156-A160 PolarHBondContact O-N 3.15Å |
| 157 | G | 89.9 | Confident | 91.6 | Very high | 29 Ų | 29 | 105.9 Ų | 105.9 | 30% | 0.299 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V153 R161 | V153-G157 WeakPolarHBondContact O-CA 3.47Å; V153-G157 PolarHBondContact O-N 3.29Å; G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 PolarHBondContact O-N 2.78Å |
| 158 | A | 90 | Very high | 91.6 | Very high | 63 Ų | 63 | 103.2 Ų | 103.2 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F156 K162 | F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.03Å; A158-K162 WeakPolarHBondContact O-CG 3.44Å; A158-K162 PolarHBondContact O-N 2.92Å |
| 159 | R | 91.5 | Very high | 91.6 | Very high | 181 Ų | 181 | 103.8 Ų | 103.8 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.7 | -47.2 | 177 | -66.9 | -176 | -175.2 | 169.3 | 1.5 | 111.2 | F156 R161 K162 L163 | F156-R159 PolarHBondContact O-N 3Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.32Å; R159-K162 PolarHBondContact O-N 3Å; R159-L163 WeakPolarHBondContact O-CB 3.34Å; R159-L163 PolarHBondContact O-N 3.47Å |
| 160 | A | 92.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 106.2 Ų | 106.2 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F156 L163 L164 | F156-A160 HydrophobicContact CD1-CB 3.84Å; F156-A160 HydrophobicContact CE1-CB 3.75Å; F156-A160 WeakPolarHBondContact O-CB 3.47Å; F156-A160 PolarHBondContact O-N 3.15Å; A160-L163 PolarHBondContact O-N 3.36Å; A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.42Å |
| 161 | R | 89.7 | Confident | 91.8 | Very high | 162 Ų | 162 | 106.6 Ų | 106.6 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -51.2 | 175.5 | 178.3 | 179.1 | 171.7 | -176 | -4.2 | 112.2 | G157 R159 L163 L164 E165 | G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 PolarHBondContact O-N 2.78Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.32Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 2.85Å; R161-L164 PolarHBondContact O-N 3.34Å; R161-E165 HydrophobicContact CG-CG 4.32Å; R161-E165 IonicContact CZ-OE1 3.12Å; R161-E165 VanDerWaalsContact CZ-OE1 3.27Å; R161-E165 IonicContact NE-OE1 2.82Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NE-OE2 2.72Å; R161-E165 IonicContact NH2-OE1 3.8Å; R161-E165 PolarHBondContact NH2-OE1 3.38Å; R161-E165 WeakPolarHBondContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.45Å |
| 162 | K | 92.8 | Very high | 91.8 | Very high | 153 Ų | 153 | 106.4 Ų | 106.4 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 179.7 | -74.9 | -177.4 | 177.8 | -169.9 | 0 | 111.8 | A158 R159 E165 E166 | A158-K162 WeakPolarHBondContact O-CG 3.44Å; A158-K162 PolarHBondContact O-N 2.92Å; R159-K162 PolarHBondContact O-N 3Å; K162-E165 PolarHBondContact O-N 3.47Å; K162-E166 WeakPolarHBondContact O-CB 3.24Å; K162-E166 PolarHBondContact O-N 3.4Å |
| 163 | L | 94.6 | Very high | 91.8 | Very high | 98 Ų | 98 | 106.6 Ų | 106.6 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 178.2 | -172.8 | 149.4 | 0 | 0 | 0 | 110.2 | R159 A160 R161 E165 E166 W167 | R159-L163 WeakPolarHBondContact O-CB 3.34Å; R159-L163 PolarHBondContact O-N 3.47Å; A160-L163 PolarHBondContact O-N 3.36Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 2.85Å; L163-E165 PolarHBondContact O-N 3.49Å; L163-E166 WeakPolarHBondContact O-CB 3.41Å; L163-E166 PolarHBondContact O-N 3.43Å; L163-W167 PolarHBondContact O-N 3.21Å; L163-W167 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 93 | Very high | 91.9 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 177.8 | -169.8 | 66.9 | 0 | 0 | 0 | 113 | A160 R161 T168 | A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.42Å; R161-L164 PolarHBondContact O-N 3.34Å; L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.13Å |
| 165 | E | 92.4 | Very high | 91.8 | Very high | 89 Ų | 89 | 104.1 Ų | 104.1 | 42% | 0.416 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174 | -77.2 | 173.4 | 170.4 | 0 | 0 | 111.1 | R161 K162 L163 T168 E169 | R161-E165 HydrophobicContact CG-CG 4.32Å; R161-E165 IonicContact CZ-OE1 3.12Å; R161-E165 VanDerWaalsContact CZ-OE1 3.27Å; R161-E165 IonicContact NE-OE1 2.82Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NE-OE2 2.72Å; R161-E165 IonicContact NH2-OE1 3.8Å; R161-E165 PolarHBondContact NH2-OE1 3.38Å; R161-E165 WeakPolarHBondContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.45Å; K162-E165 PolarHBondContact O-N 3.47Å; L163-E165 PolarHBondContact O-N 3.49Å; E165-T168 PolarHBondContact O-N 3.15Å; E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.91Å |
| 166 | E | 94.5 | Very high | 91.8 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -50.8 | 176.4 | -174.1 | 173.6 | -164.4 | 0 | 0 | 112 | K162 L163 T168 E169 E170 | K162-E166 WeakPolarHBondContact O-CB 3.24Å; K162-E166 PolarHBondContact O-N 3.4Å; L163-E166 WeakPolarHBondContact O-CB 3.41Å; L163-E166 PolarHBondContact O-N 3.43Å; E166-T168 VanDerWaalsContact C-N 3.29Å; E166-T168 PolarHBondContact O-N 2.84Å; E166-E169 PolarHBondContact O-N 3.37Å; E166-E170 WeakPolarHBondContact O-CG 3.48Å; E166-E170 PolarHBondContact O-N 3.45Å |
| 167 | W | 94.2 | Very high | 91.7 | Very high | 158 Ų | 158 | 103.2 Ų | 103.2 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -38.1 | 175.6 | -66.5 | 106 | 0 | 0 | 0 | 112.8 | L163 D171 | L163-W167 PolarHBondContact O-N 3.21Å; L163-W167 VanDerWaalsContact O-N 3.08Å; W167-D171 WeakPolarHBondContact O-CB 3.44Å; W167-D171 PolarHBondContact O-N 3.33Å |
| 168 | T | 91 | Very high | 91.8 | Very high | 78 Ų | 78 | 106.2 Ų | 106.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 179 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L164 E165 E166 E172 | L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.13Å; E165-T168 PolarHBondContact O-N 3.15Å; E166-T168 VanDerWaalsContact C-N 3.29Å; E166-T168 PolarHBondContact O-N 2.84Å; T168-E172 VanDerWaalsContact O-CB 3.3Å; T168-E172 WeakPolarHBondContact O-CB 3.4Å; T168-E172 PolarHBondContact O-N 3.06Å |
| 169 | E | 92.1 | Very high | 91.9 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 177.7 | -176.2 | 166.9 | -169.1 | 0 | 0 | 111.4 | E165 E166 E172 Q173 | E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.91Å; E166-E169 PolarHBondContact O-N 3.37Å; E169-E172 PolarHBondContact O-N 3.47Å; E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.22Å; E169-Q173 PolarHBondContact O-N 2.88Å |
| 170 | E | 94 | Very high | 91.9 | Very high | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 173.1 | -73.9 | -177.5 | 173.7 | 0 | 0 | 111.9 | E166 Q173 L174 | E166-E170 WeakPolarHBondContact O-CG 3.48Å; E166-E170 PolarHBondContact O-N 3.45Å; E170-Q173 PolarHBondContact O-N 2.85Å; E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.36Å; E170-L174 PolarHBondContact O-N 3.35Å |
| 171 | D | 92.6 | Very high | 92 | Very high | 88 Ų | 88 | 102.6 Ų | 102.6 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.5 | -166.7 | 58.3 | 0 | 0 | 0 | 111.7 | W167 Q173 L174 M175 | W167-D171 WeakPolarHBondContact O-CB 3.44Å; W167-D171 PolarHBondContact O-N 3.33Å; D171-Q173 VanDerWaalsContact C-N 3.31Å; D171-Q173 PolarHBondContact O-N 3.33Å; D171-L174 PolarHBondContact O-N 3.34Å; D171-M175 VanDerWaalsContact O-CB 3.26Å; D171-M175 WeakPolarHBondContact O-CB 3.39Å; D171-M175 VanDerWaalsContact O-CG 3.28Å; D171-M175 WeakPolarHBondContact O-CG 3.39Å; D171-M175 PolarHBondContact O-N 2.85Å |
| 172 | E | 89.7 | Confident | 92.2 | Very high | 69 Ų | 69 | 100 Ų | 100 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174 | -173.5 | 172.8 | -165.8 | 0 | 0 | 111 | R89 T168 E169 Y176 H177 | R89-E172 IonicContact NH2-OE1 2.9Å; T168-E172 VanDerWaalsContact O-CB 3.3Å; T168-E172 WeakPolarHBondContact O-CB 3.4Å; T168-E172 PolarHBondContact O-N 3.06Å; E169-E172 PolarHBondContact O-N 3.47Å; E172-Y176 HydrophobicContact CG-CD2 4.11Å; E172-Y176 VanDerWaalsContact O-CB 3.27Å; E172-Y176 WeakPolarHBondContact O-CB 3.42Å; E172-Y176 PolarHBondContact O-N 3.35Å; E172-Y176 VanDerWaalsContact O-N 3.15Å; E172-H177 PolarHBondContact O-N 3.05Å; E172-H177 IonicContact OE1-NE2 2.63Å |
| 173 | Q | 92.3 | Very high | 92 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -66.6 | -48 | 177.2 | -75.5 | -178.6 | 18.3 | 0 | 0 | 112.3 | E169 E170 D171 H177 Q178 | E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.22Å; E169-Q173 PolarHBondContact O-N 2.88Å; E170-Q173 PolarHBondContact O-N 2.85Å; D171-Q173 VanDerWaalsContact C-N 3.31Å; D171-Q173 PolarHBondContact O-N 3.33Å; Q173-H177 PolarHBondContact O-N 2.92Å; Q173-Q178 WeakPolarHBondContact O-CB 3.33Å; Q173-Q178 PolarHBondContact O-N 2.91Å |
| 174 | L | 92.7 | Very high | 92 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | I | π-helix | trans | -67.9 | -44.3 | -178.5 | -73.3 | 169.7 | 0 | 0 | 0 | 112.6 | E170 D171 P179 | E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.36Å; E170-L174 PolarHBondContact O-N 3.35Å; D171-L174 PolarHBondContact O-N 3.34Å; L174-P179 WeakPolarHBondContact O-CD 3.42Å |
| 175 | M | 87.9 | Confident | 92 | Very high | 114 Ų | 114 | 96.4 Ų | 96.4 | 56% | 0.562 | 47% | 0.468 | S | S | * | . | I | π-helix | trans | -81.1 | -30.2 | -173.1 | -65.2 | -61.9 | 157.3 | 0 | 0 | 113.1 | D171 P179 | D171-M175 VanDerWaalsContact O-CB 3.26Å; D171-M175 WeakPolarHBondContact O-CB 3.39Å; D171-M175 VanDerWaalsContact O-CG 3.28Å; D171-M175 WeakPolarHBondContact O-CG 3.39Å; D171-M175 PolarHBondContact O-N 2.85Å; M175-P179 VanDerWaalsContact O-CG 3.31Å; M175-P179 WeakPolarHBondContact O-CG 3.22Å |
| 176 | Y | 88.1 | Confident | 91.9 | Very high | 120 Ų | 120 | 100 Ų | 100 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | I | π-helix | trans | -119.1 | -63.6 | -170.6 | -66.1 | -57.5 | 0 | 0 | 0 | 112.4 | F2 E172 I180 | F2-Y176 AromaticContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE2-CD1 4.36Å; F2-Y176 HydrophobicContact CE2-CG 4.42Å; F2-Y176 AromaticContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CD1 3.4Å; F2-Y176 VanDerWaalsContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CE1 4.27Å; F2-Y176 AromaticContact CZ-CG 3.65Å; F2-Y176 HydrophobicContact CZ-CG 3.65Å; E172-Y176 HydrophobicContact CG-CD2 4.11Å; E172-Y176 VanDerWaalsContact O-CB 3.27Å; E172-Y176 WeakPolarHBondContact O-CB 3.42Å; E172-Y176 PolarHBondContact O-N 3.35Å; E172-Y176 VanDerWaalsContact O-N 3.15Å; Y176-I180 WeakPolarHBondContact O-CB 3.3Å; Y176-I180 WeakPolarHBondContact O-CD1 3.36Å; Y176-I180 WeakPolarHBondContact O-CG1 3.31Å; Y176-I180 PolarHBondContact O-N 2.85Å |
| 177 | H | 89.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 96.2 Ų | 96.2 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -67.9 | -45.6 | -168.3 | -70.1 | -65.1 | 0 | 0 | 0 | 112.8 | E172 Q173 N181 | E172-H177 PolarHBondContact O-N 3.05Å; E172-H177 IonicContact OE1-NE2 2.63Å; Q173-H177 PolarHBondContact O-N 2.92Å; H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.41Å; H177-N181 PolarHBondContact O-N 2.92Å; H177-N181 PolarHBondContact O-ND2 3.43Å; H177-N181 VanDerWaalsContact O-ND2 3.09Å |
| 178 | Q | 91.7 | Very high | 91.6 | Very high | 92 Ų | 92 | 91.7 Ų | 91.7 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -58.1 | -179.1 | -178.9 | 175.2 | -2.7 | 0 | 0 | 112.9 | Q173 I180 N181 E182 | Q173-Q178 WeakPolarHBondContact O-CB 3.33Å; Q173-Q178 PolarHBondContact O-N 2.91Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 2.97Å; Q178-N181 PolarHBondContact O-N 3.06Å; Q178-N181 VanDerWaalsContact O-N 3.11Å; Q178-E182 HydrophobicContact CG-CG 4.39Å; Q178-E182 VanDerWaalsContact CG-OE1 3.22Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.5Å; Q178-E182 PolarHBondContact O-N 3.28Å |
| 179 | P | 93.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 92.3 Ų | 92.3 | 33% | 0.331 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | -176.9 | 22.6 | -33.8 | 0 | 0 | 0 | 112.4 | L174 M175 E182 V183 | L174-P179 WeakPolarHBondContact O-CD 3.42Å; M175-P179 VanDerWaalsContact O-CG 3.31Å; M175-P179 WeakPolarHBondContact O-CG 3.22Å; P179-E182 PolarHBondContact O-N 2.88Å; P179-V183 WeakPolarHBondContact O-CB 3.39Å; P179-V183 VanDerWaalsContact O-CG2 3.24Å; P179-V183 WeakPolarHBondContact O-CG2 3.38Å; P179-V183 PolarHBondContact O-N 3.44Å |
| 180 | I | 91.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 89.4 Ų | 89.4 | 35% | 0.354 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.2 | -66 | 164.7 | 0 | 0 | 0 | 111 | F2 Y176 Q178 V183 K184 | F2-I180 HydrophobicContact CD1-CD1 3.59Å; F2-I180 HydrophobicContact CE1-CD1 2.97Å; F2-I180 HydrophobicContact CE1-CG1 4.16Å; F2-I180 HydrophobicContact CZ-CD1 3.56Å; Y176-I180 WeakPolarHBondContact O-CB 3.3Å; Y176-I180 WeakPolarHBondContact O-CD1 3.36Å; Y176-I180 WeakPolarHBondContact O-CG1 3.31Å; Y176-I180 PolarHBondContact O-N 2.85Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 2.97Å; I180-V183 PolarHBondContact O-N 3.3Å; I180-K184 WeakPolarHBondContact O-CB 3.48Å; I180-K184 PolarHBondContact O-N 3.33Å |
| 181 | N | 93.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 86.8 Ų | 86.8 | 44% | 0.439 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 179.1 | -73.9 | -23.3 | 0 | 0 | 0 | 110.9 | H177 Q178 K184 N185 | H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.41Å; H177-N181 PolarHBondContact O-N 2.92Å; H177-N181 PolarHBondContact O-ND2 3.43Å; H177-N181 VanDerWaalsContact O-ND2 3.09Å; Q178-N181 PolarHBondContact O-N 3.06Å; Q178-N181 VanDerWaalsContact O-N 3.11Å; N181-K184 PolarHBondContact O-N 2.92Å; N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.38Å; N181-N185 PolarHBondContact O-ND2 3.18Å; N181-N185 VanDerWaalsContact O-ND2 3.15Å |
| 182 | E | 93.5 | Very high | 91.3 | Very high | 108 Ų | 108 | 88.4 Ų | 88.4 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.7 | -73.2 | 175.4 | -171.8 | 0 | 0 | 111.7 | Q178 P179 K184 N185 Y186 | Q178-E182 HydrophobicContact CG-CG 4.39Å; Q178-E182 VanDerWaalsContact CG-OE1 3.22Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.5Å; Q178-E182 PolarHBondContact O-N 3.28Å; P179-E182 PolarHBondContact O-N 2.88Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.5Å; E182-N185 PolarHBondContact O-N 2.93Å; E182-Y186 WeakPolarHBondContact O-CB 3.35Å; E182-Y186 PolarHBondContact O-N 3.3Å |
| 183 | V | 90 | Very high | 91.4 | Very high | 92 Ų | 92 | 88.8 Ų | 88.8 | 56% | 0.558 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | P179 I180 Y186 V187 | P179-V183 WeakPolarHBondContact O-CB 3.39Å; P179-V183 VanDerWaalsContact O-CG2 3.24Å; P179-V183 WeakPolarHBondContact O-CG2 3.38Å; P179-V183 PolarHBondContact O-N 3.44Å; I180-V183 PolarHBondContact O-N 3.3Å; V183-Y186 PolarHBondContact O-N 3.23Å; V183-V187 HydrophobicContact CG1-CG2 4.46Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 3.26Å |
| 184 | K | 92.8 | Very high | 91 | Very high | 108 Ų | 108 | 86.5 Ų | 86.5 | 47% | 0.47 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 177.2 | -177.3 | -178.6 | 174.3 | -171.5 | 0 | 111.6 | I180 N181 E182 Y186 V187 D188 | I180-K184 WeakPolarHBondContact O-CB 3.48Å; I180-K184 PolarHBondContact O-N 3.33Å; N181-K184 PolarHBondContact O-N 2.92Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.5Å; K184-Y186 VanDerWaalsContact C-N 3.33Å; K184-Y186 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.47Å; K184-D188 WeakPolarHBondContact O-CB 3.41Å; K184-D188 PolarHBondContact O-N 2.86Å |
| 185 | N | 93.6 | Very high | 91 | Very high | 91 Ų | 91 | 86.4 Ų | 86.4 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.4 | -71.4 | -24.2 | 0 | 0 | 0 | 111.5 | N181 E182 D188 N189 | N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.38Å; N181-N185 PolarHBondContact O-ND2 3.18Å; N181-N185 VanDerWaalsContact O-ND2 3.15Å; E182-N185 PolarHBondContact O-N 2.93Å; N185-D188 PolarHBondContact O-N 3.11Å; N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.98Å; N185-N189 PolarHBondContact O-ND2 3.39Å |
| 186 | Y | 91 | Very high | 91.2 | Very high | 166 Ų | 166 | 83.6 Ų | 83.6 | 65% | 0.651 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.6 | -47.1 | 175.9 | 176.1 | -95.6 | 0 | 0 | 0 | 111.9 | E182 V183 K184 N189 T190 | E182-Y186 WeakPolarHBondContact O-CB 3.35Å; E182-Y186 PolarHBondContact O-N 3.3Å; V183-Y186 PolarHBondContact O-N 3.23Å; K184-Y186 VanDerWaalsContact C-N 3.33Å; K184-Y186 PolarHBondContact O-N 3.26Å; Y186-N189 PolarHBondContact O-N 3.5Å; Y186-T190 WeakPolarHBondContact O-CB 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 2.85Å |
| 187 | V | 89.3 | Confident | 91 | Very high | 37 Ų | 37 | 82.2 Ų | 82.2 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.5 | Y13 V183 K184 N189 T190 I191 | Y13-V187 HydrophobicContact CE1-CG1 4.23Å; V183-V187 HydrophobicContact CG1-CG2 4.46Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.47Å; V187-N189 VanDerWaalsContact C-N 3.32Å; V187-N189 PolarHBondContact O-N 3.3Å; V187-T190 WeakPolarHBondContact O-CB 3.42Å; V187-T190 PolarHBondContact O-N 2.88Å; V187-T190 VanDerWaalsContact O-N 3.13Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 HydrophobicContact CG1-CG1 4.33Å; V187-I191 VanDerWaalsContact O-CG1 3.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å |
| 188 | D | 93.3 | Very high | 91 | Very high | 62 Ų | 62 | 81.7 Ų | 81.7 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.8 | -76.2 | -21.5 | 0 | 0 | 0 | 112 | K184 N185 I191 K192 | K184-D188 WeakPolarHBondContact O-CB 3.41Å; K184-D188 PolarHBondContact O-N 2.86Å; N185-D188 PolarHBondContact O-N 3.11Å; D188-I191 PolarHBondContact O-N 3.46Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.35Å |
| 189 | N | 93.3 | Very high | 90.8 | Very high | 91 Ų | 91 | 83.9 Ų | 83.9 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 175.2 | -73 | -22.6 | 0 | 0 | 0 | 112.5 | N185 Y186 V187 K192 T193 | N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.98Å; N185-N189 PolarHBondContact O-ND2 3.39Å; Y186-N189 PolarHBondContact O-N 3.5Å; V187-N189 VanDerWaalsContact C-N 3.32Å; V187-N189 PolarHBondContact O-N 3.3Å; N189-K192 PolarHBondContact O-N 3.09Å; N189-T193 WeakPolarHBondContact O-CB 3.31Å; N189-T193 PolarHBondContact O-N 3.24Å; N189-T193 PolarHBondContact O-OG1 2.92Å |
| 190 | T | 86.3 | Confident | 90.6 | Very high | 55 Ų | 55 | 88.2 Ų | 88.2 | 34% | 0.337 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.4 | -57 | 0 | 0 | 0 | 0 | 110.3 | Y186 V187 T193 C194 | Y186-T190 WeakPolarHBondContact O-CB 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 2.85Å; V187-T190 WeakPolarHBondContact O-CB 3.42Å; V187-T190 PolarHBondContact O-N 2.88Å; V187-T190 VanDerWaalsContact O-N 3.13Å; T190-T193 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-SG 2.94Å; T190-C194 VanDerWaalsContact O-SG 3.34Å |
| 191 | I | 89.6 | Confident | 90.5 | Very high | 37 Ų | 37 | 87.9 Ų | 87.9 | 19% | 0.19 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 176.2 | -67.5 | 170 | 0 | 0 | 0 | 110.6 | Y16 V187 D188 T193 C194 E195 | Y16-I191 HydrophobicContact CD2-CD1 4.5Å; Y16-I191 HydrophobicContact CD2-CG1 4.2Å; Y16-I191 HydrophobicContact CE2-CB 4.2Å; Y16-I191 HydrophobicContact CE2-CD1 4.36Å; Y16-I191 HydrophobicContact CE2-CG1 3.59Å; Y16-I191 HydrophobicContact CE2-CG2 4.05Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 HydrophobicContact CG1-CG1 4.33Å; V187-I191 VanDerWaalsContact O-CG1 3.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å; D188-I191 PolarHBondContact O-N 3.46Å; I191-T193 VanDerWaalsContact C-N 3.27Å; I191-T193 PolarHBondContact O-N 2.73Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.07Å; I191-C194 VanDerWaalsContact O-N 3.14Å; I191-E195 HydrophobicContact CG2-CG 4.37Å; I191-E195 WeakPolarHBondContact O-CG 3.3Å; I191-E195 PolarHBondContact O-N 3.48Å |
| 192 | K | 94 | Very high | 90.3 | Very high | 121 Ų | 121 | 87 Ų | 87 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 178.2 | -72.1 | 172.1 | -175.9 | 173.7 | 0 | 112.7 | D188 N189 E195 T196 | D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.35Å; N189-K192 PolarHBondContact O-N 3.09Å; K192-E195 PolarHBondContact O-N 2.99Å; K192-T196 WeakPolarHBondContact O-CB 3.27Å; K192-T196 PolarHBondContact O-N 3.05Å; K192-T196 PolarHBondContact O-OG1 3.28Å |
| 193 | T | 90.2 | Very high | 90.2 | Very high | 78 Ų | 78 | 83.2 Ų | 83.2 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | N189 T190 I191 E195 T196 E197 | N189-T193 WeakPolarHBondContact O-CB 3.31Å; N189-T193 PolarHBondContact O-N 3.24Å; N189-T193 PolarHBondContact O-OG1 2.92Å; T190-T193 PolarHBondContact O-N 2.9Å; I191-T193 VanDerWaalsContact C-N 3.27Å; I191-T193 PolarHBondContact O-N 2.73Å; T193-E195 PolarHBondContact O-N 3.29Å; T193-T196 WeakPolarHBondContact O-CB 3.45Å; T193-T196 PolarHBondContact O-N 3.41Å; T193-E197 WeakPolarHBondContact O-CG 3.48Å; T193-E197 PolarHBondContact O-N 3.15Å |
| 194 | C | 84 | Confident | 90.3 | Very high | 52 Ų | 52 | 82.9 Ų | 82.9 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.3 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | Y16 T190 I191 T196 E197 V198 | Y16-C194 PolarHBondContact OH-SG 2.97Å; T190-C194 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-SG 2.94Å; T190-C194 VanDerWaalsContact O-SG 3.34Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.07Å; I191-C194 VanDerWaalsContact O-N 3.14Å; C194-T196 PolarHBondContact O-N 3.4Å; C194-E197 PolarHBondContact O-N 3.06Å; C194-V198 WeakPolarHBondContact O-CG2 3.05Å; C194-V198 PolarHBondContact O-N 3.17Å |
| 195 | E | 93.5 | Very high | 90.4 | Very high | 102 Ų | 102 | 81.6 Ų | 81.6 | 48% | 0.477 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.6 | -72.9 | 174.3 | 164.5 | 0 | 0 | 111.4 | I191 K192 T193 E197 V198 E199 | I191-E195 HydrophobicContact CG2-CG 4.37Å; I191-E195 WeakPolarHBondContact O-CG 3.3Å; I191-E195 PolarHBondContact O-N 3.48Å; K192-E195 PolarHBondContact O-N 2.99Å; T193-E195 PolarHBondContact O-N 3.29Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.43Å; E195-V198 WeakPolarHBondContact O-CB 3.31Å; E195-V198 PolarHBondContact O-N 3.47Å; E195-V198 VanDerWaalsContact O-N 3.16Å; E195-E199 WeakPolarHBondContact O-CG 3.24Å; E195-E199 PolarHBondContact O-N 3.08Å |
| 196 | T | 92.2 | Very high | 90.3 | Very high | 55 Ų | 55 | 82.9 Ų | 82.9 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K192 T193 C194 E199 R200 | K192-T196 WeakPolarHBondContact O-CB 3.27Å; K192-T196 PolarHBondContact O-N 3.05Å; K192-T196 PolarHBondContact O-OG1 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.45Å; T193-T196 PolarHBondContact O-N 3.41Å; C194-T196 PolarHBondContact O-N 3.4Å; T196-E199 PolarHBondContact O-N 3.31Å; T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 3.21Å |
| 197 | E | 83.5 | Confident | 90.4 | Very high | 91 Ų | 91 | 80.7 Ų | 80.7 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68 | -35.6 | 175.8 | -61.4 | -47.1 | 146.2 | 0 | 0 | 112.4 | T193 C194 E195 R200 A201 | T193-E197 WeakPolarHBondContact O-CG 3.48Å; T193-E197 PolarHBondContact O-N 3.15Å; C194-E197 PolarHBondContact O-N 3.06Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.43Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.87Å; E197-R200 IonicContact OE1-NH1 3.22Å; E197-R200 PolarHBondContact OE1-NH1 3.06Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.27Å; E197-R200 IonicContact OE2-NH1 3.49Å; E197-R200 PolarHBondContact OE2-NH1 3.48Å; E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 2.92Å |
| 198 | V | 90.2 | Very high | 90.7 | Very high | 75 Ų | 75 | 82.2 Ų | 82.2 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | C194 E195 A201 A202 | C194-V198 WeakPolarHBondContact O-CG2 3.05Å; C194-V198 PolarHBondContact O-N 3.17Å; E195-V198 WeakPolarHBondContact O-CB 3.31Å; E195-V198 PolarHBondContact O-N 3.47Å; E195-V198 VanDerWaalsContact O-N 3.16Å; V198-A201 PolarHBondContact O-N 3.42Å; V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 3.3Å |
| 199 | E | 88.3 | Confident | 90.8 | Very high | 138 Ų | 138 | 85.8 Ų | 85.8 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 174.7 | -71.4 | 177.8 | 178.3 | 0 | 0 | 111.9 | E195 T196 A201 A202 A203 | E195-E199 WeakPolarHBondContact O-CG 3.24Å; E195-E199 PolarHBondContact O-N 3.08Å; T196-E199 PolarHBondContact O-N 3.31Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.96Å; E199-A202 PolarHBondContact O-N 3.5Å; E199-A203 PolarHBondContact O-N 2.94Å; E199-A203 VanDerWaalsContact O-N 3.07Å |
| 200 | R | 88.7 | Confident | 91 | Very high | 143 Ų | 143 | 83.8 Ų | 83.8 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.9 | -72.4 | 170.2 | -176.6 | 170.4 | 9.4 | 112.1 | T196 E197 A202 A203 | T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 3.21Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.87Å; E197-R200 IonicContact OE1-NH1 3.22Å; E197-R200 PolarHBondContact OE1-NH1 3.06Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.27Å; E197-R200 IonicContact OE2-NH1 3.49Å; E197-R200 PolarHBondContact OE2-NH1 3.48Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A203 PolarHBondContact O-N 3.26Å |
| 201 | A | 88.5 | Confident | 91.6 | Very high | 61 Ų | 61 | 88.1 Ų | 88.1 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E197 V198 E199 A203 V204 P205 | E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 2.92Å; V198-A201 PolarHBondContact O-N 3.42Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.96Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 2.89Å; A201-V204 PolarHBondContact O-N 3.28Å; A201-P205 WeakPolarHBondContact O-CD 3.36Å |
| 202 | A | 90.4 | Very high | 91.9 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V198 E199 R200 P205 | V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 3.3Å; E199-A202 PolarHBondContact O-N 3.5Å; R200-A202 VanDerWaalsContact C-N 3.34Å; A202-P205 VanDerWaalsContact O-CD 3.26Å; A202-P205 WeakPolarHBondContact O-CD 3Å; A202-P205 VanDerWaalsContact O-CG 3.27Å; A202-P205 WeakPolarHBondContact O-CG 3.06Å |
| 203 | A | 91.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 91.5 Ų | 91.5 | 22% | 0.223 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -73.7 | -22.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | E199 R200 A201 E206 H207 | E199-A203 PolarHBondContact O-N 2.94Å; E199-A203 VanDerWaalsContact O-N 3.07Å; R200-A203 PolarHBondContact O-N 3.26Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 2.89Å; A203-E206 WeakPolarHBondContact O-CB 3.27Å; A203-E206 PolarHBondContact O-N 3.46Å; A203-H207 PolarHBondContact O-CD2 3.05Å; A203-H207 PolarHBondContact O-N 3.08Å |
| 204 | V | 92.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 91.7 Ų | 91.7 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.2 | -52.5 | -179.4 | 178.4 | 0 | 0 | 0 | 0 | 113.5 | A201 E206 H207 V208 | A201-V204 PolarHBondContact O-N 3.28Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 2.97Å; V204-H207 WeakPolarHBondContact O-CB 3.44Å; V204-H207 PolarHBondContact O-N 2.91Å; V204-V208 WeakPolarHBondContact O-CG2 3.31Å; V204-V208 PolarHBondContact O-N 3.42Å |
| 205 | P | 93.6 | Very high | 93.1 | Very high | 82 Ų | 82 | 93.9 Ų | 93.9 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 177.9 | 24 | -35.6 | 0 | 0 | 0 | 112.7 | A201 A202 V208 R209 | A201-P205 WeakPolarHBondContact O-CD 3.36Å; A202-P205 VanDerWaalsContact O-CD 3.26Å; A202-P205 WeakPolarHBondContact O-CD 3Å; A202-P205 VanDerWaalsContact O-CG 3.27Å; A202-P205 WeakPolarHBondContact O-CG 3.06Å; P205-V208 PolarHBondContact O-N 2.94Å; P205-R209 PolarHBondContact O-N 3.29Å |
| 206 | E | 92.7 | Very high | 93.3 | Very high | 118 Ų | 118 | 91.8 Ų | 91.8 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 174.7 | -175.5 | 178 | -170.9 | 0 | 0 | 111.5 | A203 V204 V208 R209 A210 | A203-E206 WeakPolarHBondContact O-CB 3.27Å; A203-E206 PolarHBondContact O-N 3.46Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 2.97Å; E206-V208 VanDerWaalsContact C-N 3.3Å; E206-V208 PolarHBondContact O-N 3.43Å; E206-R209 PolarHBondContact O-N 3.22Å; E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 2.95Å |
| 207 | H | 93.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -35.5 | 174.1 | -74.7 | -54.2 | 0 | 0 | 0 | 113 | A203 V204 K211 | A203-H207 PolarHBondContact O-CD2 3.05Å; A203-H207 PolarHBondContact O-N 3.08Å; V204-H207 WeakPolarHBondContact O-CB 3.44Å; V204-H207 PolarHBondContact O-N 2.91Å; H207-K211 WeakPolarHBondContact O-CG 3.22Å; H207-K211 PolarHBondContact O-N 3.39Å |
| 208 | V | 95.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 95.4 Ų | 95.4 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -49.3 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | V204 P205 E206 A210 K211 E212 | V204-V208 WeakPolarHBondContact O-CG2 3.31Å; V204-V208 PolarHBondContact O-N 3.42Å; P205-V208 PolarHBondContact O-N 2.94Å; E206-V208 VanDerWaalsContact C-N 3.3Å; E206-V208 PolarHBondContact O-N 3.43Å; V208-A210 VanDerWaalsContact C-N 3.33Å; V208-A210 PolarHBondContact O-N 2.84Å; V208-K211 WeakPolarHBondContact O-CB 3.23Å; V208-K211 PolarHBondContact O-N 2.87Å; V208-K211 VanDerWaalsContact O-N 3.07Å; V208-E212 WeakPolarHBondContact O-CG 3.45Å; V208-E212 PolarHBondContact O-N 3.31Å |
| 209 | R | 96.1 | Very high | 94.7 | Very high | 136 Ų | 136 | 97.3 Ų | 97.3 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.6 | -45 | 176.5 | -172.1 | -176.4 | 69.7 | -168.7 | -3.9 | 112 | P205 E206 K211 E212 E213 | P205-R209 PolarHBondContact O-N 3.29Å; E206-R209 PolarHBondContact O-N 3.22Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 PolarHBondContact O-N 2.9Å; R209-E212 PolarHBondContact O-N 3.5Å; R209-E213 HydrophobicContact CG-CG 4.49Å; R209-E213 IonicContact NE-OE1 3.86Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.03Å |
| 210 | A | 96.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E206 V208 N214 | E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 2.95Å; V208-A210 VanDerWaalsContact C-N 3.33Å; V208-A210 PolarHBondContact O-N 2.84Å; A210-N214 WeakPolarHBondContact O-CB 3.35Å; A210-N214 PolarHBondContact O-N 3.45Å |
| 211 | K | 97.7 | Very high | 95.5 | Very high | 147 Ų | 147 | 90 Ų | 90 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.2 | -41.4 | 174.8 | -73.4 | 174.7 | -179.3 | -179.6 | 0 | 112 | H207 V208 R209 N214 I215 | H207-K211 WeakPolarHBondContact O-CG 3.22Å; H207-K211 PolarHBondContact O-N 3.39Å; V208-K211 WeakPolarHBondContact O-CB 3.23Å; V208-K211 PolarHBondContact O-N 2.87Å; V208-K211 VanDerWaalsContact O-N 3.07Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 PolarHBondContact O-N 2.9Å; K211-N214 PolarHBondContact O-N 3.32Å; K211-I215 WeakPolarHBondContact O-CG1 2.93Å; K211-I215 PolarHBondContact O-N 3.15Å |
| 212 | E | 97.5 | Very high | 96 | Very high | 122 Ų | 122 | 89.8 Ų | 89.8 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.1 | -47.3 | 175.8 | -69 | 172.8 | 177.9 | 0 | 0 | 111.4 | V208 R209 N214 I215 A216 | V208-E212 WeakPolarHBondContact O-CG 3.45Å; V208-E212 PolarHBondContact O-N 3.31Å; R209-E212 PolarHBondContact O-N 3.5Å; E212-N214 VanDerWaalsContact C-N 3.33Å; E212-N214 PolarHBondContact O-N 2.9Å; E212-I215 PolarHBondContact O-N 2.84Å; E212-A216 PolarHBondContact O-N 2.98Å |
| 213 | E | 97.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 93.5 Ų | 93.5 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.9 | -72.2 | 173.6 | -172.7 | 0 | 0 | 111.7 | R209 A216 L217 | R209-E213 HydrophobicContact CG-CG 4.49Å; R209-E213 IonicContact NE-OE1 3.86Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.03Å; E213-A216 PolarHBondContact O-N 3.44Å; E213-L217 WeakPolarHBondContact O-CG 2.96Å; E213-L217 PolarHBondContact O-N 3.38Å |
| 214 | N | 97.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.2 | -166.6 | -84.7 | 0 | 0 | 0 | 112 | A210 K211 E212 A216 L217 Q218 | A210-N214 WeakPolarHBondContact O-CB 3.35Å; A210-N214 PolarHBondContact O-N 3.45Å; K211-N214 PolarHBondContact O-N 3.32Å; E212-N214 VanDerWaalsContact C-N 3.33Å; E212-N214 PolarHBondContact O-N 2.9Å; N214-A216 VanDerWaalsContact C-N 3.34Å; N214-L217 PolarHBondContact O-N 2.86Å; N214-Q218 WeakPolarHBondContact O-CG 3.39Å; N214-Q218 PolarHBondContact O-N 3.32Å; N214-Q218 PolarHBondContact OD1-NE2 3.33Å |
| 215 | I | 98.1 | Very high | 97 | Very high | 98 Ų | 98 | 100 Ų | 100 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175.8 | -68.2 | 166.4 | 0 | 0 | 0 | 110.4 | K211 E212 L217 Q218 L219 | K211-I215 WeakPolarHBondContact O-CG1 2.93Å; K211-I215 PolarHBondContact O-N 3.15Å; E212-I215 PolarHBondContact O-N 2.84Å; I215-L217 PolarHBondContact O-N 3.3Å; I215-Q218 PolarHBondContact O-N 3.4Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 HydrophobicContact CG2-CG 4.48Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 3.25Å |
| 216 | A | 97.8 | Very high | 97.2 | Very high | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E212 E213 N214 L219 E220 | E212-A216 PolarHBondContact O-N 2.98Å; E213-A216 PolarHBondContact O-N 3.44Å; N214-A216 VanDerWaalsContact C-N 3.34Å; A216-L219 PolarHBondContact O-N 3.31Å; A216-E220 PolarHBondContact O-N 3.08Å |
| 217 | L | 97.9 | Very high | 97.4 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 175.8 | -72.8 | 171.5 | 0 | 0 | 0 | 112.3 | E213 N214 I215 E220 A221 | E213-L217 WeakPolarHBondContact O-CG 2.96Å; E213-L217 PolarHBondContact O-N 3.38Å; N214-L217 PolarHBondContact O-N 2.86Å; I215-L217 PolarHBondContact O-N 3.3Å; L217-E220 PolarHBondContact O-N 2.68Å; L217-A221 WeakPolarHBondContact O-CB 3.33Å; L217-A221 PolarHBondContact O-N 2.98Å |
| 218 | Q | 97.9 | Very high | 97.7 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.1 | -72.2 | 179.9 | 19.8 | 0 | 0 | 111.8 | N214 I215 E220 A221 T222 | N214-Q218 WeakPolarHBondContact O-CG 3.39Å; N214-Q218 PolarHBondContact O-N 3.32Å; N214-Q218 PolarHBondContact OD1-NE2 3.33Å; I215-Q218 PolarHBondContact O-N 3.4Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 3.21Å; Q218-A221 PolarHBondContact O-N 2.85Å; Q218-T222 WeakPolarHBondContact O-CG2 3.43Å; Q218-T222 PolarHBondContact O-N 2.81Å; Q218-T222 PolarHBondContact O-OG1 3.31Å |
| 219 | L | 97.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 176.3 | -72.4 | 170.4 | 0 | 0 | 0 | 111.2 | I215 A216 T222 Y223 | I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 HydrophobicContact CG2-CG 4.48Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 3.25Å; A216-L219 PolarHBondContact O-N 3.31Å; L219-T222 PolarHBondContact O-N 2.91Å; L219-T222 PolarHBondContact O-OG1 3.41Å; L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 2.98Å |
| 220 | E | 97.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 100 Ų | 100 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 178 | -156.5 | -172 | -165.4 | 0 | 0 | 112.5 | A216 L217 Q218 Y223 R224 | A216-E220 PolarHBondContact O-N 3.08Å; L217-E220 PolarHBondContact O-N 2.68Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 3.21Å; E220-Y223 PolarHBondContact O-N 3.14Å; E220-R224 VanDerWaalsContact CG-NH1 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.45Å; E220-R224 PolarHBondContact O-N 3.48Å; E220-R224 IonicContact OE1-CZ 3.48Å; E220-R224 IonicContact OE1-NH1 3.54Å; E220-R224 PolarHBondContact OE1-NH1 2.8Å; E220-R224 IonicContact OE1-NH2 3.39Å; E220-R224 PolarHBondContact OE1-NH2 2.91Å; E220-R224 IonicContact OE2-CZ 2.97Å; E220-R224 IonicContact OE2-NH1 2.97Å; E220-R224 PolarHBondContact OE2-NH1 3.4Å; E220-R224 IonicContact OE2-NH2 3.98Å; E220-R224 PolarHBondContact OE2-NH2 3.05Å |
| 221 | A | 98.3 | Very high | 98 | Very high | 43 Ų | 43 | 105.1 Ų | 105.1 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L217 Q218 Y223 R224 E225 | L217-A221 WeakPolarHBondContact O-CB 3.33Å; L217-A221 PolarHBondContact O-N 2.98Å; Q218-A221 PolarHBondContact O-N 2.85Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.34Å; A221-R224 PolarHBondContact O-N 2.82Å; A221-E225 WeakPolarHBondContact O-CG 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å |
| 222 | T | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 105.8 Ų | 105.8 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 178 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | Q218 L219 R226 | Q218-T222 WeakPolarHBondContact O-CG2 3.43Å; Q218-T222 PolarHBondContact O-N 2.81Å; Q218-T222 PolarHBondContact O-OG1 3.31Å; L219-T222 PolarHBondContact O-N 2.91Å; L219-T222 PolarHBondContact O-OG1 3.41Å; T222-R226 VanDerWaalsContact O-CG 3.27Å; T222-R226 WeakPolarHBondContact O-CG 3.32Å; T222-R226 PolarHBondContact O-N 2.9Å; T222-R226 VanDerWaalsContact O-N 3.12Å |
| 223 | Y | 98.2 | Very high | 98 | Very high | 144 Ų | 144 | 103 Ų | 103 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -47.7 | 174.2 | 175.4 | -108 | 0 | 0 | 0 | 111.8 | L219 E220 A221 E225 R226 L227 | L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 2.98Å; E220-Y223 PolarHBondContact O-N 3.14Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.34Å; Y223-E225 PolarHBondContact O-N 3.29Å; Y223-R226 PolarHBondContact O-N 2.72Å; Y223-L227 HydrophobicContact CD1-CD1 4.12Å; Y223-L227 HydrophobicContact CE1-CD1 3.5Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.5Å; Y223-L227 HydrophobicContact CE1-CG 4.41Å; Y223-L227 HydrophobicContact CE2-CD1 4.27Å; Y223-L227 HydrophobicContact CE2-CG 4.41Å; Y223-L227 PolarHBondContact O-N 3.41Å; Y223-L227 VanDerWaalsContact O-N 3.11Å |
| 224 | R | 98.2 | Very high | 98 | Very high | 125 Ų | 125 | 102.2 Ų | 102.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.7 | -73 | -170.6 | 179.8 | 104.1 | 3.7 | 112.4 | E220 A221 R226 L227 Q228 | E220-R224 VanDerWaalsContact CG-NH1 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.45Å; E220-R224 PolarHBondContact O-N 3.48Å; E220-R224 IonicContact OE1-CZ 3.48Å; E220-R224 IonicContact OE1-NH1 3.54Å; E220-R224 PolarHBondContact OE1-NH1 2.8Å; E220-R224 IonicContact OE1-NH2 3.39Å; E220-R224 PolarHBondContact OE1-NH2 2.91Å; E220-R224 IonicContact OE2-CZ 2.97Å; E220-R224 IonicContact OE2-NH1 2.97Å; E220-R224 PolarHBondContact OE2-NH1 3.4Å; E220-R224 IonicContact OE2-NH2 3.98Å; E220-R224 PolarHBondContact OE2-NH2 3.05Å; A221-R224 PolarHBondContact O-N 2.82Å; R224-R226 PolarHBondContact O-N 3.35Å; R224-L227 PolarHBondContact O-N 3.23Å; R224-Q228 WeakPolarHBondContact O-CB 3.48Å; R224-Q228 WeakPolarHBondContact O-CG 3.3Å; R224-Q228 PolarHBondContact O-N 3.2Å |
| 225 | E | 98.2 | Very high | 98 | Very high | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | 175.4 | -76.9 | 176.6 | 177.5 | 0 | 0 | 112.1 | A221 Y223 Q228 S229 | A221-E225 WeakPolarHBondContact O-CG 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å; Y223-E225 PolarHBondContact O-N 3.29Å; E225-Q228 PolarHBondContact O-N 2.93Å; E225-S229 WeakPolarHBondContact O-CB 3.21Å; E225-S229 PolarHBondContact O-N 2.83Å |
| 226 | R | 98.5 | Very high | 98 | Very high | 176 Ų | 176 | 106.3 Ų | 106.3 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 176.4 | -71.7 | 169.5 | -174.7 | 178.6 | 3.7 | 111.5 | T222 Y223 R224 S229 V230 | T222-R226 VanDerWaalsContact O-CG 3.27Å; T222-R226 WeakPolarHBondContact O-CG 3.32Å; T222-R226 PolarHBondContact O-N 2.9Å; T222-R226 VanDerWaalsContact O-N 3.12Å; Y223-R226 PolarHBondContact O-N 2.72Å; R224-R226 PolarHBondContact O-N 3.35Å; R226-S229 PolarHBondContact O-N 2.89Å; R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 2.79Å |
| 227 | L | 98.1 | Very high | 98 | Very high | 91 Ų | 91 | 111.5 Ų | 111.5 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.7 | -71.7 | 177.4 | 0 | 0 | 0 | 112.1 | Y223 R224 S229 V230 Y231 | Y223-L227 HydrophobicContact CD1-CD1 4.12Å; Y223-L227 HydrophobicContact CE1-CD1 3.5Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.5Å; Y223-L227 HydrophobicContact CE1-CG 4.41Å; Y223-L227 HydrophobicContact CE2-CD1 4.27Å; Y223-L227 HydrophobicContact CE2-CG 4.41Å; Y223-L227 PolarHBondContact O-N 3.41Å; Y223-L227 VanDerWaalsContact O-N 3.11Å; R224-L227 PolarHBondContact O-N 3.23Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.72Å; L227-V230 PolarHBondContact O-N 3.32Å; L227-Y231 WeakPolarHBondContact O-CB 3.39Å; L227-Y231 PolarHBondContact O-N 3.27Å |
| 228 | Q | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 111.5 Ų | 111.5 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 176.5 | -74.9 | -175.2 | 2.9 | 0 | 0 | 112.2 | R224 E225 Y231 R232 | R224-Q228 WeakPolarHBondContact O-CB 3.48Å; R224-Q228 WeakPolarHBondContact O-CG 3.3Å; R224-Q228 PolarHBondContact O-N 3.2Å; E225-Q228 PolarHBondContact O-N 2.93Å; Q228-Y231 PolarHBondContact O-N 3.45Å; Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 VanDerWaalsContact O-CG 3.27Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.33Å |
| 229 | S | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 111.1 Ų | 111.1 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | E225 R226 L227 R232 T233 | E225-S229 WeakPolarHBondContact O-CB 3.21Å; E225-S229 PolarHBondContact O-N 2.83Å; R226-S229 PolarHBondContact O-N 2.89Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.72Å; S229-R232 PolarHBondContact O-N 3.1Å; S229-T233 WeakPolarHBondContact O-CB 3.31Å; S229-T233 PolarHBondContact O-N 3.18Å; S229-T233 PolarHBondContact O-OG1 2.92Å |
| 230 | V | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 112.8 Ų | 112.8 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | R226 L227 R232 T233 V234 | R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 2.79Å; L227-V230 PolarHBondContact O-N 3.32Å; V230-R232 PolarHBondContact O-N 2.89Å; V230-T233 PolarHBondContact O-N 3.44Å; V230-V234 WeakPolarHBondContact O-CG2 3.19Å; V230-V234 PolarHBondContact O-N 3.47Å |
| 231 | Y | 98.2 | Very high | 98.1 | Very high | 158 Ų | 158 | 113 Ų | 113 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.7 | -51.2 | 176.8 | 173.8 | -95.6 | 0 | 0 | 0 | 112 | L227 Q228 T233 V234 H235 | L227-Y231 WeakPolarHBondContact O-CB 3.39Å; L227-Y231 PolarHBondContact O-N 3.27Å; Q228-Y231 PolarHBondContact O-N 3.45Å; Y231-T233 VanDerWaalsContact C-N 3.28Å; Y231-T233 PolarHBondContact O-N 3.48Å; Y231-V234 PolarHBondContact O-N 2.76Å; Y231-H235 VanDerWaalsContact O-CB 3.27Å; Y231-H235 WeakPolarHBondContact O-CB 3.42Å; Y231-H235 PolarHBondContact O-N 3.37Å |
| 232 | R | 98.1 | Very high | 98 | Very high | 160 Ų | 160 | 114.5 Ų | 114.5 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -38.9 | 177.9 | -74.6 | 176.1 | -172.4 | 148.2 | 6.9 | 112 | Q228 S229 V230 R236 | Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 VanDerWaalsContact O-CG 3.27Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.33Å; S229-R232 PolarHBondContact O-N 3.1Å; V230-R232 PolarHBondContact O-N 2.89Å; R232-R236 VanDerWaalsContact O-CB 3.25Å; R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 PolarHBondContact O-N 2.86Å |
| 233 | T | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 116.2 Ų | 116.2 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | S229 V230 Y231 R237 | S229-T233 WeakPolarHBondContact O-CB 3.31Å; S229-T233 PolarHBondContact O-N 3.18Å; S229-T233 PolarHBondContact O-OG1 2.92Å; V230-T233 PolarHBondContact O-N 3.44Å; Y231-T233 VanDerWaalsContact C-N 3.28Å; Y231-T233 PolarHBondContact O-N 3.48Å; T233-R237 WeakPolarHBondContact O-CG 3.15Å; T233-R237 PolarHBondContact O-N 2.96Å |
| 234 | V | 98 | Very high | 97.9 | Very high | 89 Ų | 89 | 115.2 Ų | 115.2 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | V230 Y231 R236 R237 L238 | V230-V234 WeakPolarHBondContact O-CG2 3.19Å; V230-V234 PolarHBondContact O-N 3.47Å; Y231-V234 PolarHBondContact O-N 2.76Å; V234-R236 PolarHBondContact O-N 3.32Å; V234-R237 WeakPolarHBondContact O-CB 3.45Å; V234-R237 PolarHBondContact O-N 2.8Å; V234-L238 PolarHBondContact O-N 2.95Å |
| 235 | H | 98.3 | Very high | 97.9 | Very high | 72 Ų | 72 | 112.5 Ų | 112.5 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.7 | -49.5 | 176.2 | -171.4 | -100.2 | 0 | 0 | 0 | 111.5 | Y231 R237 L238 E239 | Y231-H235 VanDerWaalsContact O-CB 3.27Å; Y231-H235 WeakPolarHBondContact O-CB 3.42Å; Y231-H235 PolarHBondContact O-N 3.37Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 3.02Å; H235-L238 WeakPolarHBondContact O-CB 3.36Å; H235-L238 PolarHBondContact O-N 3.43Å; H235-E239 IonicContact CE1-OE1 2.63Å; H235-E239 PolarHBondContact CE1-OE1 2.88Å; H235-E239 IonicContact CE1-OE2 3.9Å; H235-E239 PolarHBondContact CE1-OE2 3.26Å; H235-E239 IonicContact ND1-OE1 3.02Å; H235-E239 PolarHBondContact ND1-OE1 3.25Å; H235-E239 IonicContact ND1-OE2 3.94Å; H235-E239 PolarHBondContact ND1-OE2 3.44Å; H235-E239 IonicContact NE2-OE1 3.54Å; H235-E239 WeakPolarHBondContact O-CG 3.49Å; H235-E239 PolarHBondContact O-N 2.99Å |
| 236 | R | 98 | Very high | 97.9 | Very high | 193 Ų | 193 | 109.5 Ų | 109.5 | 73% | 0.728 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.5 | -37.4 | 177.8 | -179.1 | 177.9 | 173 | 172.3 | -0.2 | 112.8 | R232 V234 Y240 | R232-R236 VanDerWaalsContact O-CB 3.25Å; R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 PolarHBondContact O-N 2.86Å; V234-R236 PolarHBondContact O-N 3.32Å; R236-Y240 VanDerWaalsContact O-CB 3.3Å; R236-Y240 WeakPolarHBondContact O-CB 3.41Å; R236-Y240 PolarHBondContact O-N 3.49Å |
| 237 | R | 97.9 | Very high | 97.8 | Very high | 168 Ų | 168 | 104.6 Ų | 104.6 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 175.8 | -69.3 | 172.9 | -176.1 | -166.2 | 1.4 | 111.3 | T233 V234 H235 Y240 H241 | T233-R237 WeakPolarHBondContact O-CG 3.15Å; T233-R237 PolarHBondContact O-N 2.96Å; V234-R237 WeakPolarHBondContact O-CB 3.45Å; V234-R237 PolarHBondContact O-N 2.8Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 3.02Å; R237-Y240 PolarHBondContact O-N 2.9Å; R237-H241 PolarHBondContact O-CD2 2.89Å; R237-H241 PolarHBondContact O-N 3.4Å; R237-H241 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 97.9 | Very high | 97.8 | Very high | 110 Ų | 110 | 108 Ų | 108 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -47.7 | 178 | -176.8 | 63.2 | 0 | 0 | 0 | 111.6 | V234 H235 Y240 H241 V242 | V234-L238 PolarHBondContact O-N 2.95Å; H235-L238 WeakPolarHBondContact O-CB 3.36Å; H235-L238 PolarHBondContact O-N 3.43Å; L238-Y240 VanDerWaalsContact C-N 3.28Å; L238-Y240 PolarHBondContact O-N 2.94Å; L238-H241 PolarHBondContact O-N 3.46Å; L238-H241 VanDerWaalsContact O-N 3.1Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 2.88Å |
| 239 | E | 98.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 109.2 Ų | 109.2 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 175.1 | -73.3 | -178 | 129.4 | 0 | 0 | 111.6 | H235 H241 V242 E243 | H235-E239 IonicContact CE1-OE1 2.63Å; H235-E239 PolarHBondContact CE1-OE1 2.88Å; H235-E239 IonicContact CE1-OE2 3.9Å; H235-E239 PolarHBondContact CE1-OE2 3.26Å; H235-E239 IonicContact ND1-OE1 3.02Å; H235-E239 PolarHBondContact ND1-OE1 3.25Å; H235-E239 IonicContact ND1-OE2 3.94Å; H235-E239 PolarHBondContact ND1-OE2 3.44Å; H235-E239 IonicContact NE2-OE1 3.54Å; H235-E239 WeakPolarHBondContact O-CG 3.49Å; H235-E239 PolarHBondContact O-N 2.99Å; E239-H241 VanDerWaalsContact C-N 3.35Å; E239-H241 PolarHBondContact O-N 3.45Å; E239-V242 PolarHBondContact O-N 2.94Å; E239-E243 WeakPolarHBondContact O-CB 3.45Å; E239-E243 PolarHBondContact O-N 3.48Å |
| 240 | Y | 98.2 | Very high | 97.7 | Very high | 150 Ų | 150 | 112.7 Ų | 112.7 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 174.6 | 173.5 | -102.2 | 0 | 0 | 0 | 112.1 | R236 R237 L238 R244 | R236-Y240 VanDerWaalsContact O-CB 3.3Å; R236-Y240 WeakPolarHBondContact O-CB 3.41Å; R236-Y240 PolarHBondContact O-N 3.49Å; R237-Y240 PolarHBondContact O-N 2.9Å; L238-Y240 VanDerWaalsContact C-N 3.28Å; L238-Y240 PolarHBondContact O-N 2.94Å; Y240-R244 VanDerWaalsContact O-CB 3.23Å; Y240-R244 WeakPolarHBondContact O-CB 3.45Å; Y240-R244 PolarHBondContact O-N 2.88Å |
| 241 | H | 97.6 | Very high | 97.7 | Very high | 88 Ų | 88 | 116 Ų | 116 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.7 | -73.4 | -58.1 | 0 | 0 | 0 | 112.1 | R237 L238 E239 R244 E245 | R237-H241 PolarHBondContact O-CD2 2.89Å; R237-H241 PolarHBondContact O-N 3.4Å; R237-H241 VanDerWaalsContact O-N 3.09Å; L238-H241 PolarHBondContact O-N 3.46Å; L238-H241 VanDerWaalsContact O-N 3.1Å; E239-H241 VanDerWaalsContact C-N 3.35Å; E239-H241 PolarHBondContact O-N 3.45Å; H241-R244 PolarHBondContact O-N 3.12Å; H241-E245 WeakPolarHBondContact O-CG 3.19Å; H241-E245 PolarHBondContact O-N 2.9Å |
| 242 | V | 97.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 112.8 Ų | 112.8 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L238 E239 R244 E245 N246 | L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 2.88Å; E239-V242 PolarHBondContact O-N 2.94Å; V242-R244 PolarHBondContact O-N 3.38Å; V242-E245 PolarHBondContact O-N 3.45Å; V242-N246 WeakPolarHBondContact O-CB 3.24Å; V242-N246 VanDerWaalsContact O-CG 3.27Å; V242-N246 PolarHBondContact O-N 3.35Å; V242-N246 PolarHBondContact O-ND2 3.23Å |
| 243 | E | 96.7 | Very high | 97.5 | Very high | 90 Ų | 90 | 110.7 Ų | 110.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -34.6 | -179.3 | -170 | 56.2 | -153.5 | 0 | 0 | 112.3 | E239 N246 T247 R250 | E239-E243 WeakPolarHBondContact O-CB 3.45Å; E239-E243 PolarHBondContact O-N 3.48Å; E243-N246 PolarHBondContact O-N 3.48Å; E243-T247 VanDerWaalsContact O-CB 3.29Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.27Å; E243-T247 PolarHBondContact O-OG1 3.46Å; E243-R250 IonicContact OE1-NH1 3.74Å |
| 244 | R | 97.2 | Very high | 97.5 | Very high | 123 Ų | 123 | 113.5 Ų | 113.5 | 46% | 0.464 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 172.1 | -171.7 | -169.7 | 73.7 | 174 | 2.9 | 111.3 | Y240 H241 V242 R248 | Y240-R244 VanDerWaalsContact O-CB 3.23Å; Y240-R244 WeakPolarHBondContact O-CB 3.45Å; Y240-R244 PolarHBondContact O-N 2.88Å; H241-R244 PolarHBondContact O-N 3.12Å; V242-R244 PolarHBondContact O-N 3.38Å; R244-R248 WeakPolarHBondContact O-CB 3.44Å; R244-R248 PolarHBondContact O-N 2.9Å |
| 245 | E | 97.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 114.5 Ų | 114.5 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.4 | -65.9 | -50.4 | 134.9 | 0 | 0 | 111.9 | H241 V242 R248 K249 | H241-E245 WeakPolarHBondContact O-CG 3.19Å; H241-E245 PolarHBondContact O-N 2.9Å; V242-E245 PolarHBondContact O-N 3.45Å; E245-R248 PolarHBondContact O-N 3.25Å; E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 3.34Å |
| 246 | N | 97.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 116.5 Ų | 116.5 | 32% | 0.321 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.5 | -72.6 | -21.4 | 0 | 0 | 0 | 112 | V242 E243 K249 R250 | V242-N246 WeakPolarHBondContact O-CB 3.24Å; V242-N246 VanDerWaalsContact O-CG 3.27Å; V242-N246 PolarHBondContact O-N 3.35Å; V242-N246 PolarHBondContact O-ND2 3.23Å; E243-N246 PolarHBondContact O-N 3.48Å; N246-K249 PolarHBondContact O-N 3.3Å; N246-R250 WeakPolarHBondContact O-CG 3.48Å; N246-R250 PolarHBondContact O-N 3.3Å |
| 247 | T | 97.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 111.1 Ų | 111.1 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | E243 K249 R250 Y251 | E243-T247 VanDerWaalsContact O-CB 3.29Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.27Å; E243-T247 PolarHBondContact O-OG1 3.46Å; T247-K249 PolarHBondContact O-N 3Å; T247-R250 PolarHBondContact O-N 2.94Å; T247-Y251 PolarHBondContact O-N 3.21Å |
| 248 | R | 97.6 | Very high | 97.1 | Very high | 162 Ų | 162 | 108.3 Ų | 108.3 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 174.9 | -178.5 | 179.9 | -176.1 | 150.3 | 3.9 | 111.8 | R244 E245 Y251 I252 | R244-R248 WeakPolarHBondContact O-CB 3.44Å; R244-R248 PolarHBondContact O-N 2.9Å; E245-R248 PolarHBondContact O-N 3.25Å; R248-Y251 PolarHBondContact O-N 3.45Å; R248-I252 HydrophobicContact CG-CD1 3.92Å; R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.48Å |
| 249 | K | 97.3 | Very high | 97 | Very high | 122 Ų | 122 | 109.5 Ų | 109.5 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.9 | -73.4 | 175.5 | -177 | 177.3 | 0 | 111.6 | E245 N246 T247 Y251 I252 Q253 | E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 3.34Å; N246-K249 PolarHBondContact O-N 3.3Å; T247-K249 PolarHBondContact O-N 3Å; K249-Y251 PolarHBondContact O-N 3.45Å; K249-I252 PolarHBondContact O-N 2.99Å; K249-Q253 WeakPolarHBondContact O-CB 3.4Å; K249-Q253 VanDerWaalsContact O-CG 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 3.31Å |
| 250 | R | 97.4 | Very high | 96.8 | Very high | 140 Ų | 140 | 107.8 Ų | 107.8 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 175.4 | -74.7 | 174.9 | 177.6 | 165 | 1 | 111.9 | E243 N246 T247 Q253 Q254 | E243-R250 IonicContact OE1-NH1 3.74Å; N246-R250 WeakPolarHBondContact O-CG 3.48Å; N246-R250 PolarHBondContact O-N 3.3Å; T247-R250 PolarHBondContact O-N 2.94Å; R250-Q253 PolarHBondContact O-N 3.31Å; R250-Q254 WeakPolarHBondContact O-CB 3.07Å; R250-Q254 WeakPolarHBondContact O-CG 3.32Å; R250-Q254 PolarHBondContact O-N 2.93Å |
| 251 | Y | 96.9 | Very high | 96.6 | Very high | 163 Ų | 163 | 104.5 Ų | 104.5 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 178.3 | -172.7 | -93.5 | 0 | 0 | 0 | 112.3 | T247 R248 K249 Q253 Q254 H255 | T247-Y251 PolarHBondContact O-N 3.21Å; R248-Y251 PolarHBondContact O-N 3.45Å; K249-Y251 PolarHBondContact O-N 3.45Å; Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 2.98Å; Y251-Q254 PolarHBondContact O-N 2.94Å; Y251-H255 VanDerWaalsContact O-CB 3.31Å; Y251-H255 WeakPolarHBondContact O-CB 3.34Å; Y251-H255 PolarHBondContact O-N 3.33Å |
| 252 | I | 97 | Very high | 96.4 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.6 | -68.4 | 166.4 | 0 | 0 | 0 | 110.5 | R248 K249 H255 M256 | R248-I252 HydrophobicContact CG-CD1 3.92Å; R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.48Å; K249-I252 PolarHBondContact O-N 2.99Å; I252-H255 PolarHBondContact O-N 2.89Å; I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.4Å; I252-M256 PolarHBondContact O-N 2.96Å |
| 253 | Q | 96.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 177.1 | -75.1 | 172.5 | -16.9 | 0 | 0 | 111.5 | K249 R250 Y251 H255 M256 V257 | K249-Q253 WeakPolarHBondContact O-CB 3.4Å; K249-Q253 VanDerWaalsContact O-CG 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 3.31Å; R250-Q253 PolarHBondContact O-N 3.31Å; Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 2.98Å; Q253-H255 PolarHBondContact O-N 2.89Å; Q253-M256 PolarHBondContact O-N 3.38Å; Q253-V257 WeakPolarHBondContact O-CG2 3.29Å; Q253-V257 PolarHBondContact O-N 2.95Å |
| 254 | Q | 97 | Very high | 95.8 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 177.3 | -73.9 | 175.7 | -2.6 | 0 | 0 | 112.1 | R250 Y251 V257 N258 | R250-Q254 WeakPolarHBondContact O-CB 3.07Å; R250-Q254 WeakPolarHBondContact O-CG 3.32Å; R250-Q254 PolarHBondContact O-N 2.93Å; Y251-Q254 PolarHBondContact O-N 2.94Å; Q254-V257 PolarHBondContact O-N 2.97Å; Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 3.45Å; Q254-N258 PolarHBondContact O-ND2 3.49Å |
| 255 | H | 96.3 | Very high | 95.4 | Very high | 111 Ų | 111 | 102.5 Ų | 102.5 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.2 | 178.8 | 65.3 | 0 | 0 | 0 | 111.9 | Y251 I252 Q253 N258 W259 | Y251-H255 VanDerWaalsContact O-CB 3.31Å; Y251-H255 WeakPolarHBondContact O-CB 3.34Å; Y251-H255 PolarHBondContact O-N 3.33Å; I252-H255 PolarHBondContact O-N 2.89Å; Q253-H255 PolarHBondContact O-N 2.89Å; H255-N258 PolarHBondContact O-N 2.83Å; H255-W259 VanDerWaalsContact O-CB 3.25Å; H255-W259 WeakPolarHBondContact O-CB 3.16Å; H255-W259 PolarHBondContact O-N 3.17Å |
| 256 | M | 96 | Very high | 95 | Very high | 113 Ų | 113 | 106.1 Ų | 106.1 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 176.7 | -174.9 | -175.8 | 74.4 | 0 | 0 | 111.5 | I252 Q253 W259 V260 | I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.4Å; I252-M256 PolarHBondContact O-N 2.96Å; Q253-M256 PolarHBondContact O-N 3.38Å; M256-W259 PolarHBondContact O-N 2.97Å; M256-V260 WeakPolarHBondContact O-CB 3.27Å; M256-V260 VanDerWaalsContact O-CG2 3.25Å; M256-V260 WeakPolarHBondContact O-CG2 3.47Å; M256-V260 PolarHBondContact O-N 2.89Å |
| 257 | V | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 105.2 Ų | 105.2 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | Q253 Q254 W259 V260 V261 | Q253-V257 WeakPolarHBondContact O-CG2 3.29Å; Q253-V257 PolarHBondContact O-N 2.95Å; Q254-V257 PolarHBondContact O-N 2.97Å; V257-W259 VanDerWaalsContact C-N 3.34Å; V257-W259 PolarHBondContact O-N 2.97Å; V257-V260 PolarHBondContact O-N 3.48Å; V257-V261 HydrophobicContact CG1-CG2 4.35Å; V257-V261 WeakPolarHBondContact O-CB 3.36Å; V257-V261 VanDerWaalsContact O-CG2 3.27Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.03Å |
| 258 | N | 95.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 105.1 Ų | 105.1 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 178.8 | -71 | -17.4 | 0 | 0 | 0 | 112.2 | Q254 H255 V261 D262 | Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 3.45Å; Q254-N258 PolarHBondContact O-ND2 3.49Å; H255-N258 PolarHBondContact O-N 2.83Å; N258-V261 PolarHBondContact O-N 3.13Å; N258-D262 WeakPolarHBondContact O-CB 3.35Å; N258-D262 PolarHBondContact O-N 3.42Å |
| 259 | W | 95.7 | Very high | 92.8 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 176.9 | -177.7 | 94.5 | 0 | 0 | 0 | 111.8 | H255 M256 V257 D262 H263 | H255-W259 VanDerWaalsContact O-CB 3.25Å; H255-W259 WeakPolarHBondContact O-CB 3.16Å; H255-W259 PolarHBondContact O-N 3.17Å; M256-W259 PolarHBondContact O-N 2.97Å; V257-W259 VanDerWaalsContact C-N 3.34Å; V257-W259 PolarHBondContact O-N 2.97Å; W259-D262 PolarHBondContact O-N 3.11Å; W259-H263 AromaticContact CD1-CE1 3.55Å; W259-H263 AromaticContact CD1-ND1 3.76Å; W259-H263 AromaticContact CD2-CE1 3.84Å; W259-H263 AromaticContact CD2-ND1 3.56Å; W259-H263 AromaticContact CE2-CD2 3.99Å; W259-H263 AromaticContact CE2-CE1 3.17Å; W259-H263 AromaticContact CE2-CG 3.88Å; W259-H263 AromaticContact CE2-ND1 3.35Å; W259-H263 VanDerWaalsContact CE2-ND1 3.35Å; W259-H263 AromaticContact CE2-NE2 3.57Å; W259-H263 AromaticContact CG-ND1 3.82Å; W259-H263 AromaticContact CH2-CD2 3.99Å; W259-H263 AromaticContact CZ2-CD2 3.6Å; W259-H263 AromaticContact CZ2-CE1 3.55Å; W259-H263 AromaticContact CZ2-CG 3.84Å; W259-H263 AromaticContact CZ2-ND1 3.78Å; W259-H263 AromaticContact CZ2-NE2 3.41Å; W259-H263 WeakPolarHBondContact CZ2-NE2 3.33Å; W259-H263 AromaticContact NE1-CE1 2.99Å; W259-H263 PolarHBondContact NE1-CE1 3.44Å; W259-H263 AromaticContact NE1-ND1 3.5Å; W259-H263 AromaticContact NE1-NE2 3.65Å; W259-H263 WeakPolarHBondContact O-CB 3.41Å; W259-H263 PolarHBondContact O-N 2.82Å; W259-H263 PolarHBondContact O-ND1 2.8Å |
| 260 | V | 94.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 99.9 Ų | 99.9 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | M256 V257 H263 V264 | M256-V260 WeakPolarHBondContact O-CB 3.27Å; M256-V260 VanDerWaalsContact O-CG2 3.25Å; M256-V260 WeakPolarHBondContact O-CG2 3.47Å; M256-V260 PolarHBondContact O-N 2.89Å; V257-V260 PolarHBondContact O-N 3.48Å; V260-H263 PolarHBondContact O-N 2.87Å; V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CB 3.48Å; V260-V264 WeakPolarHBondContact O-CG2 3.38Å; V260-V264 PolarHBondContact O-N 3.32Å |
| 261 | V | 94 | Very high | 90.8 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 178 | 172 | 0 | 0 | 0 | 0 | 111.2 | V257 N258 H263 V264 V265 | V257-V261 HydrophobicContact CG1-CG2 4.35Å; V257-V261 WeakPolarHBondContact O-CB 3.36Å; V257-V261 VanDerWaalsContact O-CG2 3.27Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.03Å; N258-V261 PolarHBondContact O-N 3.13Å; V261-H263 PolarHBondContact O-N 2.82Å; V261-V264 PolarHBondContact O-N 3.1Å; V261-V265 HydrophobicContact CG1-CG2 4.4Å; V261-V265 WeakPolarHBondContact O-CB 3.1Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.49Å; V261-V265 PolarHBondContact O-N 2.96Å |
| 262 | D | 94 | Very high | 90 | Very high | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 178.5 | -178.4 | 57.4 | 0 | 0 | 0 | 112.2 | N258 W259 V265 K266 | N258-D262 WeakPolarHBondContact O-CB 3.35Å; N258-D262 PolarHBondContact O-N 3.42Å; W259-D262 PolarHBondContact O-N 3.11Å; D262-V265 PolarHBondContact O-N 3.14Å; D262-K266 WeakPolarHBondContact O-CB 3.44Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 3.33Å; D262-K266 PolarHBondContact OD1-NZ 3.34Å; D262-K266 WeakPolarHBondContact OD2-CE 3.42Å; D262-K266 IonicContact OD2-NZ 2.68Å; D262-K266 PolarHBondContact OD2-NZ 2.88Å |
| 263 | H | 91.7 | Very high | 89.2 | Confident | 86 Ų | 86 | 93.7 Ų | 93.7 | 40% | 0.398 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 175.9 | -80.2 | 66.1 | 0 | 0 | 0 | 112.8 | W259 V260 V261 G267 | W259-H263 AromaticContact CD1-CE1 3.55Å; W259-H263 AromaticContact CD1-ND1 3.76Å; W259-H263 AromaticContact CD2-CE1 3.84Å; W259-H263 AromaticContact CD2-ND1 3.56Å; W259-H263 AromaticContact CE2-CD2 3.99Å; W259-H263 AromaticContact CE2-CE1 3.17Å; W259-H263 AromaticContact CE2-CG 3.88Å; W259-H263 AromaticContact CE2-ND1 3.35Å; W259-H263 VanDerWaalsContact CE2-ND1 3.35Å; W259-H263 AromaticContact CE2-NE2 3.57Å; W259-H263 AromaticContact CG-ND1 3.82Å; W259-H263 AromaticContact CH2-CD2 3.99Å; W259-H263 AromaticContact CZ2-CD2 3.6Å; W259-H263 AromaticContact CZ2-CE1 3.55Å; W259-H263 AromaticContact CZ2-CG 3.84Å; W259-H263 AromaticContact CZ2-ND1 3.78Å; W259-H263 AromaticContact CZ2-NE2 3.41Å; W259-H263 WeakPolarHBondContact CZ2-NE2 3.33Å; W259-H263 AromaticContact NE1-CE1 2.99Å; W259-H263 PolarHBondContact NE1-CE1 3.44Å; W259-H263 AromaticContact NE1-ND1 3.5Å; W259-H263 AromaticContact NE1-NE2 3.65Å; W259-H263 WeakPolarHBondContact O-CB 3.41Å; W259-H263 PolarHBondContact O-N 2.82Å; W259-H263 PolarHBondContact O-ND1 2.8Å; V260-H263 PolarHBondContact O-N 2.87Å; V261-H263 PolarHBondContact O-N 2.82Å; H263-G267 PolarHBondContact O-N 2.84Å |
| 264 | V | 90.3 | Very high | 88.5 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 173.9 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | V260 V261 K266 G267 I268 | V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CB 3.48Å; V260-V264 WeakPolarHBondContact O-CG2 3.38Å; V260-V264 PolarHBondContact O-N 3.32Å; V261-V264 PolarHBondContact O-N 3.1Å; V264-K266 PolarHBondContact O-N 2.87Å; V264-G267 PolarHBondContact O-N 2.87Å; V264-I268 HydrophobicContact CG1-CD1 4.09Å; V264-I268 WeakPolarHBondContact O-CD1 3.26Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.2Å; V264-I268 VanDerWaalsContact O-N 3.15Å |
| 265 | V | 88.6 | Confident | 87.9 | Confident | 97 Ų | 97 | 94 Ų | 94 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | V261 D262 | V261-V265 HydrophobicContact CG1-CG2 4.4Å; V261-V265 WeakPolarHBondContact O-CB 3.1Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.49Å; V261-V265 PolarHBondContact O-N 2.96Å; D262-V265 PolarHBondContact O-N 3.14Å |
| 266 | K | 88.4 | Confident | 87.5 | Confident | 145 Ų | 145 | 92.9 Ų | 92.9 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.8 | -32.6 | 175.7 | -74.8 | 170.9 | 178.8 | 166.2 | 0 | 113.7 | D262 V264 I268 | D262-K266 WeakPolarHBondContact O-CB 3.44Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 3.33Å; D262-K266 PolarHBondContact OD1-NZ 3.34Å; D262-K266 WeakPolarHBondContact OD2-CE 3.42Å; D262-K266 IonicContact OD2-NZ 2.68Å; D262-K266 PolarHBondContact OD2-NZ 2.88Å; V264-K266 PolarHBondContact O-N 2.87Å; K266-I268 VanDerWaalsContact C-N 3.28Å |
| 267 | G | 86.3 | Confident | 87.1 | Confident | 41 Ų | 41 | 92.9 Ų | 92.9 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.4 | -19 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H263 V264 T269 Q272 | H263-G267 PolarHBondContact O-N 2.84Å; V264-G267 PolarHBondContact O-N 2.87Å; G267-T269 PolarHBondContact O-N 3.07Å; G267-Q272 PolarHBondContact O-OE1 3.39Å |
| 268 | I | 80.7 | Confident | 86.7 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 36% | 0.359 | 50% | 0.498 | S | S | . | . | trans | -72.6 | 92.1 | 175.1 | -68.6 | 161.6 | 0 | 0 | 0 | 109.1 | V264 K266 E273 | V264-I268 HydrophobicContact CG1-CD1 4.09Å; V264-I268 WeakPolarHBondContact O-CD1 3.26Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.2Å; V264-I268 VanDerWaalsContact O-N 3.15Å; K266-I268 VanDerWaalsContact C-N 3.28Å; I268-E273 HydrophobicContact CG2-CG 3.12Å; I268-E273 VanDerWaalsContact CG2-OE1 3.28Å; I268-E273 WeakPolarHBondContact CG2-OE1 3.24Å | ||
| 269 | T | 78.3 | Confident | 86.4 | Confident | 71 Ų | 71 | 92.5 Ų | 92.5 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | trans | -68.6 | 143.2 | 170.9 | -43 | 0 | 0 | 0 | 0 | 108.9 | G267 A271 Q272 E273 | G267-T269 PolarHBondContact O-N 3.07Å; T269-A271 HydrophobicContact CG2-CB 4.27Å; T269-A271 PolarHBondContact O-N 3.22Å; T269-Q272 WeakPolarHBondContact O-CA 3.17Å; T269-Q272 WeakPolarHBondContact O-CB 3.14Å; T269-Q272 PolarHBondContact O-N 3.27Å; T269-E273 PolarHBondContact O-N 3.11Å | ||
| 270 | P | 77.9 | Confident | 86.1 | Confident | 103 Ų | 103 | 89 Ų | 89 | 67% | 0.669 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -24.6 | 176.3 | 20.5 | -33.8 | 0 | 0 | 0 | 113.3 | K274 | P270-K274 PolarHBondContact O-N 2.84Å; P270-K274 VanDerWaalsContact O-N 3.16Å |
| 271 | A | 76 | Confident | 85.9 | Confident | 54 Ų | 54 | 89.9 Ų | 89.9 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T269 K274 D275 | T269-A271 HydrophobicContact CG2-CB 4.27Å; T269-A271 PolarHBondContact O-N 3.22Å; A271-K274 PolarHBondContact O-N 3.34Å; A271-D275 WeakPolarHBondContact O-CB 2.93Å; A271-D275 VanDerWaalsContact O-CG 3.31Å; A271-D275 PolarHBondContact O-N 2.94Å |
| 272 | Q | 79.2 | Confident | 85.7 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 176 | -75.5 | -177.5 | -15 | 0 | 0 | 112.2 | G267 T269 K274 D275 T276 | G267-Q272 PolarHBondContact O-OE1 3.39Å; T269-Q272 WeakPolarHBondContact O-CA 3.17Å; T269-Q272 WeakPolarHBondContact O-CB 3.14Å; T269-Q272 PolarHBondContact O-N 3.27Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; Q272-D275 PolarHBondContact O-N 3.05Å; Q272-T276 VanDerWaalsContact O-CB 3.25Å; Q272-T276 WeakPolarHBondContact O-CB 3.44Å; Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.31Å |
| 273 | E | 80.5 | Confident | 85.6 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 171.2 | -65.5 | -171 | 155.3 | 0 | 0 | 110.6 | I268 T269 T276 L277 | I268-E273 HydrophobicContact CG2-CG 3.12Å; I268-E273 VanDerWaalsContact CG2-OE1 3.28Å; I268-E273 WeakPolarHBondContact CG2-OE1 3.24Å; T269-E273 PolarHBondContact O-N 3.11Å; E273-T276 PolarHBondContact O-N 3.48Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 WeakPolarHBondContact O-CG 3.21Å; E273-L277 PolarHBondContact O-N 2.94Å |
| 274 | K | 82.5 | Confident | 85.5 | Confident | 146 Ų | 146 | 92 Ų | 92 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 178.2 | -168.4 | 177.6 | 179.8 | -179.5 | 0 | 112.1 | P270 A271 Q272 L277 T278 | P270-K274 PolarHBondContact O-N 2.84Å; P270-K274 VanDerWaalsContact O-N 3.16Å; A271-K274 PolarHBondContact O-N 3.34Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; K274-L277 PolarHBondContact O-N 3.4Å; K274-T278 VanDerWaalsContact O-CG2 3.25Å; K274-T278 WeakPolarHBondContact O-CG2 3.12Å; K274-T278 PolarHBondContact O-N 3.11Å |
| 275 | D | 84.9 | Confident | 85.3 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 178 | -72.5 | -11.4 | 0 | 0 | 0 | 111 | A271 Q272 T278 H279 | A271-D275 WeakPolarHBondContact O-CB 2.93Å; A271-D275 VanDerWaalsContact O-CG 3.31Å; A271-D275 PolarHBondContact O-N 2.94Å; Q272-D275 PolarHBondContact O-N 3.05Å; D275-T278 WeakPolarHBondContact CA-OG1 3.28Å; D275-T278 PolarHBondContact O-N 3.27Å; D275-T278 PolarHBondContact O-OG1 3.05Å; D275-H279 WeakPolarHBondContact O-CB 3.31Å; D275-H279 PolarHBondContact O-N 2.83Å |
| 276 | T | 86.2 | Confident | 85.3 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 111 | Q272 E273 T278 H279 C280 | Q272-T276 VanDerWaalsContact O-CB 3.25Å; Q272-T276 WeakPolarHBondContact O-CB 3.44Å; Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.31Å; E273-T276 PolarHBondContact O-N 3.48Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 3.36Å; T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.33Å; T276-C280 PolarHBondContact O-N 3.32Å; T276-C280 PolarHBondContact O-SG 3.48Å |
| 277 | L | 88 | Confident | 85.2 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 173.8 | -73.1 | 170.7 | 0 | 0 | 0 | 111.7 | E273 K274 C280 I281 | E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 WeakPolarHBondContact O-CG 3.21Å; E273-L277 PolarHBondContact O-N 2.94Å; K274-L277 PolarHBondContact O-N 3.4Å; L277-C280 PolarHBondContact O-N 3.45Å; L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 2.89Å |
| 278 | T | 87.3 | Confident | 85.2 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | K274 D275 T276 I281 N282 | K274-T278 VanDerWaalsContact O-CG2 3.25Å; K274-T278 WeakPolarHBondContact O-CG2 3.12Å; K274-T278 PolarHBondContact O-N 3.11Å; D275-T278 WeakPolarHBondContact CA-OG1 3.28Å; D275-T278 PolarHBondContact O-N 3.27Å; D275-T278 PolarHBondContact O-OG1 3.05Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 3.36Å; T278-I281 PolarHBondContact O-N 3.32Å; T278-N282 WeakPolarHBondContact O-CB 3.49Å; T278-N282 PolarHBondContact O-N 3.13Å; T278-N282 PolarHBondContact O-ND2 3.48Å |
| 279 | H | 89.4 | Confident | 85.2 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 173.3 | -174.8 | -79.7 | 0 | 0 | 0 | 110.8 | D275 T276 I281 N282 E283 | D275-H279 WeakPolarHBondContact O-CB 3.31Å; D275-H279 PolarHBondContact O-N 2.83Å; T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.33Å; H279-I281 VanDerWaalsContact C-N 3.34Å; H279-I281 PolarHBondContact O-N 3.32Å; H279-N282 CarbonylContact O-C 3.52Å; H279-N282 PolarHBondContact O-N 2.89Å; H279-N282 VanDerWaalsContact O-N 3.13Å; H279-E283 WeakPolarHBondContact O-CB 3.34Å; H279-E283 PolarHBondContact O-N 3.07Å |
| 280 | C | 90.1 | Very high | 85.3 | Confident | 62 Ų | 62 | 96.7 Ų | 96.7 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 173.3 | -68.7 | 0 | 0 | 0 | 0 | 112 | T276 L277 N282 E283 L284 | T276-C280 PolarHBondContact O-N 3.32Å; T276-C280 PolarHBondContact O-SG 3.48Å; L277-C280 PolarHBondContact O-N 3.45Å; C280-N282 VanDerWaalsContact C-N 3.32Å; C280-N282 PolarHBondContact O-N 2.84Å; C280-E283 PolarHBondContact O-N 3.2Å; C280-L284 WeakPolarHBondContact O-CB 3.41Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.24Å |
| 281 | I | 90.8 | Very high | 85.3 | Confident | 88 Ų | 88 | 94.8 Ų | 94.8 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.9 | -70 | 164.6 | 0 | 0 | 0 | 111 | L277 T278 H279 L284 K285 | L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 2.89Å; T278-I281 PolarHBondContact O-N 3.32Å; H279-I281 VanDerWaalsContact C-N 3.34Å; H279-I281 PolarHBondContact O-N 3.32Å; I281-L284 PolarHBondContact O-N 3.35Å; I281-K285 HydrophobicContact CG2-CD 4.31Å; I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.49Å; I281-K285 PolarHBondContact O-N 3.47Å |
| 282 | N | 88.9 | Confident | 84.9 | Confident | 92 Ų | 92 | 100 Ų | 100 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 178.1 | -71.2 | -25.1 | 0 | 0 | 0 | 112.4 | T278 H279 C280 K285 R286 | T278-N282 WeakPolarHBondContact O-CB 3.49Å; T278-N282 PolarHBondContact O-N 3.13Å; T278-N282 PolarHBondContact O-ND2 3.48Å; H279-N282 CarbonylContact O-C 3.52Å; H279-N282 PolarHBondContact O-N 2.89Å; H279-N282 VanDerWaalsContact O-N 3.13Å; C280-N282 VanDerWaalsContact C-N 3.32Å; C280-N282 PolarHBondContact O-N 2.84Å; N282-K285 PolarHBondContact O-N 3.04Å; N282-R286 WeakPolarHBondContact O-CB 3.45Å; N282-R286 PolarHBondContact O-N 2.92Å |
| 283 | E | 91.9 | Very high | 84.1 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 35% | 0.346 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 170.2 | -100.3 | -92.2 | 122.6 | 0 | 0 | 110.8 | H279 C280 K285 R286 L287 | H279-E283 WeakPolarHBondContact O-CB 3.34Å; H279-E283 PolarHBondContact O-N 3.07Å; C280-E283 PolarHBondContact O-N 3.2Å; E283-K285 PolarHBondContact O-N 2.95Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-CZ 3.4Å; E283-R286 IonicContact OE1-NE 3.61Å; E283-R286 IonicContact OE1-NH2 2.69Å; E283-R286 PolarHBondContact OE1-NH2 3.45Å; E283-L287 WeakPolarHBondContact O-CB 3.42Å; E283-L287 WeakPolarHBondContact O-CG 3.28Å; E283-L287 PolarHBondContact O-N 3.21Å |
| 284 | L | 89.5 | Confident | 83.2 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 174.5 | -74.3 | 169 | 0 | 0 | 0 | 112 | C280 I281 L287 A288 | C280-L284 WeakPolarHBondContact O-CB 3.41Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.24Å; I281-L284 PolarHBondContact O-N 3.35Å; L284-L287 PolarHBondContact O-N 3.4Å; L284-A288 VanDerWaalsContact O-CB 3.25Å; L284-A288 WeakPolarHBondContact O-CB 3.25Å; L284-A288 PolarHBondContact O-N 3.07Å |
| 285 | K | 87 | Confident | 81.5 | Confident | 122 Ų | 122 | 99 Ų | 99 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 173.5 | -79.9 | 177 | 179.8 | 177.2 | 0 | 111.9 | I281 N282 E283 A288 Q289 | I281-K285 HydrophobicContact CG2-CD 4.31Å; I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.49Å; I281-K285 PolarHBondContact O-N 3.47Å; N282-K285 PolarHBondContact O-N 3.04Å; E283-K285 PolarHBondContact O-N 2.95Å; K285-A288 PolarHBondContact O-N 3.39Å; K285-Q289 WeakPolarHBondContact O-CB 3.49Å; K285-Q289 WeakPolarHBondContact O-CG 3.3Å; K285-Q289 PolarHBondContact O-N 3.42Å |
| 286 | R | 87 | Confident | 79.5 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 176.5 | -171.1 | -178.9 | 73.4 | 150.6 | 0.2 | 110.9 | N282 E283 A288 Q289 A290 | N282-R286 WeakPolarHBondContact O-CB 3.45Å; N282-R286 PolarHBondContact O-N 2.92Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-CZ 3.4Å; E283-R286 IonicContact OE1-NE 3.61Å; E283-R286 IonicContact OE1-NH2 2.69Å; E283-R286 PolarHBondContact OE1-NH2 3.45Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 3.37Å; R286-Q289 PolarHBondContact O-N 2.97Å; R286-A290 WeakPolarHBondContact O-CB 3.47Å; R286-A290 PolarHBondContact O-N 3.36Å |
| 287 | L | 87.7 | Confident | 77.1 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 173.6 | -72 | 171 | 0 | 0 | 0 | 111.6 | E283 L284 A290 S291 | E283-L287 WeakPolarHBondContact O-CB 3.42Å; E283-L287 WeakPolarHBondContact O-CG 3.28Å; E283-L287 PolarHBondContact O-N 3.21Å; L284-L287 PolarHBondContact O-N 3.4Å; L287-A290 PolarHBondContact O-N 2.73Å; L287-S291 WeakPolarHBondContact O-CB 3.22Å; L287-S291 PolarHBondContact O-N 2.86Å |
| 288 | A | 85.5 | Confident | 76.6 | Confident | 43 Ų | 43 | 105 Ų | 105 | 36% | 0.355 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.9 | -32.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L284 K285 R286 S291 K292 | L284-A288 VanDerWaalsContact O-CB 3.25Å; L284-A288 WeakPolarHBondContact O-CB 3.25Å; L284-A288 PolarHBondContact O-N 3.07Å; K285-A288 PolarHBondContact O-N 3.39Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 3.37Å; A288-S291 WeakPolarHBondContact CA-OG 3.37Å; A288-S291 PolarHBondContact O-OG 3.41Å; A288-K292 WeakPolarHBondContact O-CB 3.49Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 2.88Å |
| 289 | Q | 80.9 | Confident | 76 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.9 | -41.8 | 171.7 | -75.9 | 175.6 | -8.9 | 0 | 0 | 110.8 | K285 R286 S291 K292 V293 | K285-Q289 WeakPolarHBondContact O-CB 3.49Å; K285-Q289 WeakPolarHBondContact O-CG 3.3Å; K285-Q289 PolarHBondContact O-N 3.42Å; R286-Q289 PolarHBondContact O-N 2.97Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 2.81Å; Q289-K292 PolarHBondContact O-N 3.1Å; Q289-V293 VanDerWaalsContact O-CG2 3.31Å; Q289-V293 WeakPolarHBondContact O-CG2 3.43Å; Q289-V293 PolarHBondContact O-N 3.32Å |
| 290 | A | 80.1 | Confident | 75.3 | Confident | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.7 | -36.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R286 L287 T294 | R286-A290 WeakPolarHBondContact O-CB 3.47Å; R286-A290 PolarHBondContact O-N 3.36Å; L287-A290 PolarHBondContact O-N 2.73Å; A290-T294 PolarHBondContact O-N 3.41Å; A290-T294 PolarHBondContact O-OG1 3.42Å |
| 291 | S | 78.3 | Confident | 74.4 | Confident | 63 Ų | 63 | 109.2 Ų | 109.2 | 44% | 0.441 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.1 | -40.5 | 174.5 | 73 | 0 | 0 | 0 | 0 | 112.6 | L287 A288 Q289 V293 T294 T295 | L287-S291 WeakPolarHBondContact O-CB 3.22Å; L287-S291 PolarHBondContact O-N 2.86Å; A288-S291 WeakPolarHBondContact CA-OG 3.37Å; A288-S291 PolarHBondContact O-OG 3.41Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 2.81Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.22Å; S291-T294 CarbonylContact O-C 3.6Å; S291-T294 WeakPolarHBondContact O-CA 3.26Å; S291-T294 WeakPolarHBondContact O-CB 3.5Å; S291-T294 PolarHBondContact O-N 3.1Å; S291-T295 PolarHBondContact O-N 2.99Å; S291-T295 PolarHBondContact O-OG1 2.86Å |
| 292 | K | 67.2 | Low | 73.4 | Confident | 164 Ų | 164 | 110.5 Ų | 110.5 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.3 | -34.6 | 174.7 | -77.3 | -178.8 | -179.1 | -170.9 | 0 | 113.7 | A288 Q289 T294 T295 | A288-K292 WeakPolarHBondContact O-CB 3.49Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 2.88Å; Q289-K292 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-N 3.31Å; K292-T295 PolarHBondContact O-N 2.93Å |
| 293 | V | 62.9 | Low | 72.3 | Confident | 128 Ų | 128 | 111.7 Ų | 111.7 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69 | -18.7 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | Q289 S291 | Q289-V293 VanDerWaalsContact O-CG2 3.31Å; Q289-V293 WeakPolarHBondContact O-CG2 3.43Å; Q289-V293 PolarHBondContact O-N 3.32Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.22Å |
| 294 | T | 60.3 | Low | 70.9 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 6.7 | -179.2 | -49.7 | 0 | 0 | 0 | 0 | 112.8 | A290 S291 K292 | A290-T294 PolarHBondContact O-N 3.41Å; A290-T294 PolarHBondContact O-OG1 3.42Å; S291-T294 CarbonylContact O-C 3.6Å; S291-T294 WeakPolarHBondContact O-CA 3.26Å; S291-T294 WeakPolarHBondContact O-CB 3.5Å; S291-T294 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-N 3.31Å |
| 295 | T | 47.3 | Very low | 69.5 | Low | 95 Ų | 95 | 114.5 Ų | 114.5 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | trans | -129.7 | 93.7 | 175.6 | -36.9 | 0 | 0 | 0 | 0 | 111.2 | S291 K292 | S291-T295 PolarHBondContact O-N 2.99Å; S291-T295 PolarHBondContact O-OG1 2.86Å; K292-T295 PolarHBondContact O-N 2.93Å | ||
| 296 | P | 43.5 | Very low | 68.1 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 76% | 0.76 | 64% | 0.643 | S | S | * | * | trans | -83.7 | 108.5 | 165.8 | 31.4 | -26.3 | 0 | 0 | 0 | 108.9 | ||||
| 297 | V | 36 | Very low | 66.3 | Low | 203 Ų | 203 | 110.2 Ų | 110.2 | 100% | 1.23 | 65% | 0.649 | S | S | * | * | trans | 79.8 | 0 | -178.5 | -169.3 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 297 of 297 residues in 99.8 ms
(Link to these results)