| 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 | 54.2 | Low | 76.9 | Confident | 196 Ų | 196 | 91.5 Ų | 91.5 | 97% | 0.966 | 46% | 0.455 | S | S | * | . | 0 | 129.8 | 0 | -166 | 179 | -73 | 0 | 0 | 107.4 | L5 | M1-L5 HydrophobicContact CG-CB 3.95Å; M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 HydrophobicContact SD-CB 4.3Å | |||
| 2 | P | 62.7 | Low | 77.9 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | trans | -55.9 | 142.6 | 179 | -19.6 | 29 | 0 | 0 | 0 | 111.2 | A4 L5 | P2-A4 PolarHBondContact O-N 3.15Å; P2-A4 VanDerWaalsContact O-N 3.07Å; P2-L5 HydrophobicContact CB-CG 4.48Å; P2-L5 HydrophobicContact CG-CD1 4.1Å; P2-L5 HydrophobicContact CG-CG 4.43Å; P2-L5 PolarHBondContact O-N 3.42Å | ||
| 3 | L | 62.8 | Low | 78.9 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 81% | 0.806 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -53.8 | -32.3 | -179.6 | -156 | 102.9 | 0 | 0 | 0 | 112.5 | L5 Q6 | L3-L5 PolarHBondContact O-N 3.24Å; L3-Q6 WeakPolarHBondContact O-CB 3.49Å; L3-Q6 PolarHBondContact O-N 3.19Å |
| 4 | A | 64.6 | Low | 79.9 | Confident | 35 Ų | 35 | 95.3 Ų | 95.3 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -71 | -9.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P2 R77 S80 | P2-A4 PolarHBondContact O-N 3.15Å; P2-A4 VanDerWaalsContact O-N 3.07Å; A4-R77 PolarHBondContact O-NH1 3.37Å; A4-S80 WeakPolarHBondContact CB-OG 3.49Å |
| 5 | L | 75.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 93.7 Ų | 93.7 | 7% | 0.073 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -104.3 | -1 | 174.9 | -61.2 | -176.7 | 0 | 0 | 0 | 113 | M1 P2 L3 E7 H84 V105 | M1-L5 HydrophobicContact CG-CB 3.95Å; M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 HydrophobicContact SD-CB 4.3Å; P2-L5 HydrophobicContact CB-CG 4.48Å; P2-L5 HydrophobicContact CG-CD1 4.1Å; P2-L5 HydrophobicContact CG-CG 4.43Å; P2-L5 PolarHBondContact O-N 3.42Å; L3-L5 PolarHBondContact O-N 3.24Å; L5-E7 PolarHBondContact O-N 3.42Å; L5-H84 HydrophobicContact CD1-CB 3.75Å; L5-V105 WeakPolarHBondContact O-CG2 3.39Å |
| 6 | Q | 82.5 | Confident | 81.5 | Confident | 129 Ų | 129 | 90.3 Ų | 90.3 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -69.4 | 125.6 | 171 | -174.2 | 172.3 | -1 | 0 | 0 | 109 | L3 R77 | L3-Q6 WeakPolarHBondContact O-CB 3.49Å; L3-Q6 PolarHBondContact O-N 3.19Å; Q6-R77 PolarHBondContact O-NH1 3.26Å; Q6-R77 VanDerWaalsContact O-NH1 3.07Å; Q6-R77 PolarHBondContact O-NH2 2.92Å |
| 7 | E | 85.3 | Confident | 82.1 | Confident | 78 Ų | 78 | 90.6 Ų | 90.6 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 139.1 | 179.5 | -67.3 | 171.1 | -118.4 | 0 | 0 | 111.4 | L5 R12 P104 V105 | L5-E7 PolarHBondContact O-N 3.42Å; E7-R12 WeakPolarHBondContact OE2-CA 3.39Å; E7-R12 WeakPolarHBondContact OE2-CB 3.46Å; E7-P104 HydrophobicContact CG-CB 3.69Å; E7-P104 WeakPolarHBondContact OE1-CB 3.42Å; E7-V105 HydrophobicContact CG-CG2 4.25Å |
| 8 | Y | 88.7 | Confident | 82.8 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 157.3 | 161.6 | -61.5 | -53.3 | 0 | 0 | 0 | 110.4 | F10 E11 R12 | Y8-F10 VanDerWaalsContact C-N 3.27Å; Y8-F10 AromaticContact CD2-CE1 3.63Å; Y8-F10 HydrophobicContact CD2-CE1 3.63Å; Y8-F10 AromaticContact CD2-CZ 3.8Å; Y8-F10 HydrophobicContact CD2-CZ 3.8Å; Y8-F10 HydrophobicContact CG-CD1 4.47Å; Y8-F10 AromaticContact CG-CE1 3.76Å; Y8-F10 HydrophobicContact CG-CE1 3.76Å; Y8-F10 HydrophobicContact CG-CZ 4.34Å; Y8-F10 PolarHBondContact O-N 3.28Å; Y8-E11 PolarHBondContact N-OE2 3.01Å; Y8-E11 PolarHBondContact O-N 3.34Å; Y8-R12 PolarHBondContact O-N 3.41Å |
| 9 | E | 88.8 | Confident | 83.4 | Confident | 127 Ų | 127 | 87.6 Ų | 87.6 | 59% | 0.593 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.7 | -41.2 | -177.7 | -174.1 | 175.5 | -176.9 | 0 | 0 | 112.6 | E11 R12 Q13 | E9-E11 PolarHBondContact O-N 3.28Å; E9-R12 PolarHBondContact O-N 2.52Å; E9-Q13 HydrophobicContact CG-CG 4.48Å; E9-Q13 WeakPolarHBondContact O-CB 3.42Å; E9-Q13 WeakPolarHBondContact O-CG 3.23Å; E9-Q13 PolarHBondContact O-N 3.4Å; E9-Q13 PolarHBondContact OE1-NE2 3.21Å; E9-Q13 VanDerWaalsContact OE1-NE2 3.08Å |
| 10 | F | 89.9 | Confident | 83.9 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 40% | 0.395 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 178.4 | 72.8 | -93.8 | 0 | 0 | 0 | 113.3 | Y8 F14 F108 W109 | Y8-F10 VanDerWaalsContact C-N 3.27Å; Y8-F10 AromaticContact CD2-CE1 3.63Å; Y8-F10 HydrophobicContact CD2-CE1 3.63Å; Y8-F10 AromaticContact CD2-CZ 3.8Å; Y8-F10 HydrophobicContact CD2-CZ 3.8Å; Y8-F10 HydrophobicContact CG-CD1 4.47Å; Y8-F10 AromaticContact CG-CE1 3.76Å; Y8-F10 HydrophobicContact CG-CE1 3.76Å; Y8-F10 HydrophobicContact CG-CZ 4.34Å; Y8-F10 PolarHBondContact O-N 3.28Å; F10-F14 WeakPolarHBondContact O-CB 3.22Å; F10-F14 PolarHBondContact O-N 2.8Å; F10-F108 HydrophobicContact CD2-CD1 4.18Å; F10-F108 HydrophobicContact CD2-CD2 4.2Å; F10-F108 HydrophobicContact CD2-CE1 4.2Å; F10-F108 HydrophobicContact CD2-CE2 4.22Å; F10-F108 HydrophobicContact CD2-CG 4.18Å; F10-F108 HydrophobicContact CD2-CZ 4.22Å; F10-F108 AromaticContact CE2-CD1 3.59Å; F10-F108 HydrophobicContact CE2-CD1 3.59Å; F10-F108 HydrophobicContact CE2-CD2 4.42Å; F10-F108 AromaticContact CE2-CE1 3.61Å; F10-F108 HydrophobicContact CE2-CE1 3.61Å; F10-F108 HydrophobicContact CE2-CE2 4.44Å; F10-F108 HydrophobicContact CE2-CG 4.02Å; F10-F108 HydrophobicContact CE2-CZ 4.05Å; F10-W109 HydrophobicContact CZ-CZ2 4.35Å |
| 11 | E | 91.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 175.9 | -64 | 170.6 | 153.9 | 0 | 0 | 109.7 | Y8 E9 F14 R77 K107 F108 W109 | Y8-E11 PolarHBondContact N-OE2 3.01Å; Y8-E11 PolarHBondContact O-N 3.34Å; E9-E11 PolarHBondContact O-N 3.28Å; E11-F14 WeakPolarHBondContact O-CB 3.1Å; E11-F14 PolarHBondContact O-N 3Å; E11-R77 IonicContact OE1-CZ 3.5Å; E11-R77 IonicContact OE1-NE 2.9Å; E11-R77 PolarHBondContact OE1-NE 2.78Å; E11-R77 IonicContact OE1-NH2 2.99Å; E11-R77 PolarHBondContact OE1-NH2 3.5Å; E11-R77 IonicContact OE2-CZ 3.47Å; E11-R77 IonicContact OE2-NE 3.86Å; E11-R77 IonicContact OE2-NH2 3.78Å; E11-R77 PolarHBondContact OE2-NH2 3.42Å; E11-K107 WeakPolarHBondContact O-CE 3.44Å; E11-F108 HydrophobicContact CG-CB 4.41Å; E11-W109 PolarHBondContact OE1-NE1 3.23Å |
| 12 | R | 88.1 | Confident | 86.5 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 177.4 | -169.6 | -180 | 67.9 | 176.4 | -0.3 | 112.4 | E7 Y8 E9 F14 | E7-R12 WeakPolarHBondContact OE2-CA 3.39Å; E7-R12 WeakPolarHBondContact OE2-CB 3.46Å; Y8-R12 PolarHBondContact O-N 3.41Å; E9-R12 PolarHBondContact O-N 2.52Å; R12-F14 VanDerWaalsContact C-N 3.28Å; R12-F14 PolarHBondContact O-N 2.8Å |
| 13 | Q | 91.1 | Very high | 88 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.4 | -12.8 | 179.6 | -72.4 | 172.2 | -8.7 | 0 | 0 | 113.5 | E9 N15 | E9-Q13 HydrophobicContact CG-CG 4.48Å; E9-Q13 WeakPolarHBondContact O-CB 3.42Å; E9-Q13 WeakPolarHBondContact O-CG 3.23Å; E9-Q13 PolarHBondContact O-N 3.4Å; E9-Q13 PolarHBondContact OE1-NE2 3.21Å; E9-Q13 VanDerWaalsContact OE1-NE2 3.08Å; Q13-N15 PolarHBondContact O-N 3.26Å |
| 14 | F | 93.3 | Very high | 89.5 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | trans | -67.2 | 128.9 | -178.8 | -177.1 | -102.2 | 0 | 0 | 0 | 111.3 | F10 E11 R12 E16 A19 K107 F108 Y111 | F10-F14 WeakPolarHBondContact O-CB 3.22Å; F10-F14 PolarHBondContact O-N 2.8Å; E11-F14 WeakPolarHBondContact O-CB 3.1Å; E11-F14 PolarHBondContact O-N 3Å; R12-F14 VanDerWaalsContact C-N 3.28Å; R12-F14 PolarHBondContact O-N 2.8Å; F14-E16 HydrophobicContact CE1-CB 4.37Å; F14-E16 VanDerWaalsContact O-OE2 3.07Å; F14-A19 HydrophobicContact CE1-CB 3.99Å; F14-A19 HydrophobicContact CE2-CB 4.47Å; F14-A19 HydrophobicContact CZ-CB 3.52Å; F14-K107 HydrophobicContact CD1-CB 4.33Å; F14-K107 HydrophobicContact CD1-CD 4.31Å; F14-K107 HydrophobicContact CD1-CG 3.93Å; F14-K107 WeakPolarHBondContact O-CE 3.37Å; F14-K107 PolarHBondContact O-NZ 3.01Å; F14-F108 HydrophobicContact CB-CB 4.29Å; F14-F108 HydrophobicContact CD1-CB 4.21Å; F14-F108 HydrophobicContact CD2-CB 4.48Å; F14-F108 AromaticContact CD2-CD2 3.74Å; F14-F108 HydrophobicContact CD2-CD2 3.74Å; F14-F108 HydrophobicContact CE2-CD2 4.15Å; F14-F108 HydrophobicContact CG-CB 4.07Å; F14-F108 HydrophobicContact CG-CD2 4.13Å; F14-Y111 AromaticContact CE2-CD1 3.68Å; F14-Y111 HydrophobicContact CE2-CD1 3.68Å; F14-Y111 HydrophobicContact CE2-CE1 4.28Å; F14-Y111 HydrophobicContact CE2-CG 4.4Å; F14-Y111 AromaticContact CZ-CD1 3.43Å; F14-Y111 HydrophobicContact CZ-CD1 3.43Å; F14-Y111 VanDerWaalsContact CZ-CD1 3.43Å; F14-Y111 HydrophobicContact CZ-CE1 4.25Å; F14-Y111 AromaticContact CZ-CG 3.7Å; F14-Y111 HydrophobicContact CZ-CG 3.7Å | ||
| 15 | N | 92.8 | Very high | 91.1 | Very high | 71 Ų | 71 | 80.3 Ų | 80.3 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -93.5 | 96.3 | 177.9 | -172.7 | -16.8 | 0 | 0 | 0 | 110.6 | Q13 D17 E18 A19 | Q13-N15 PolarHBondContact O-N 3.26Å; N15-D17 VanDerWaalsContact C-N 3.34Å; N15-D17 PolarHBondContact O-N 3.47Å; N15-D17 PolarHBondContact OD1-N 3.03Å; N15-E18 HydrophobicContact CB-CB 4.12Å; N15-E18 PolarHBondContact OD1-N 2.8Å; N15-E18 VanDerWaalsContact OD1-N 3.09Å; N15-A19 PolarHBondContact O-N 2.96Å | ||
| 16 | E | 91.9 | Very high | 92 | Very high | 39 Ų | 39 | 80.7 Ų | 80.7 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 177.9 | 61.7 | -87.7 | -142.1 | 0 | 0 | 112.9 | F14 E18 A19 I20 N102 K107 | F14-E16 HydrophobicContact CE1-CB 4.37Å; F14-E16 VanDerWaalsContact O-OE2 3.07Å; E16-E18 VanDerWaalsContact C-N 3.33Å; E16-E18 PolarHBondContact O-N 3.38Å; E16-A19 PolarHBondContact O-N 3.34Å; E16-I20 WeakPolarHBondContact O-CB 3.47Å; E16-I20 WeakPolarHBondContact O-CD1 3.27Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.18Å; E16-I20 PolarHBondContact O-N 2.87Å; E16-N102 HydrophobicContact CG-CB 4.27Å; E16-K107 HydrophobicContact CB-CB 4.23Å; E16-K107 HydrophobicContact CB-CD 4.26Å; E16-K107 HydrophobicContact CG-CD 4.42Å; E16-K107 IonicContact OE1-NZ 3.29Å; E16-K107 WeakPolarHBondContact OE2-CD 3.31Å; E16-K107 IonicContact OE2-NZ 3.74Å; E16-K107 PolarHBondContact OE2-NZ 2.9Å |
| 17 | D | 92.6 | Very high | 92.6 | Very high | 97 Ų | 97 | 77 Ų | 77 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -177.9 | -68.9 | -35.4 | 0 | 0 | 0 | 111.5 | N15 R21 | N15-D17 VanDerWaalsContact C-N 3.34Å; N15-D17 PolarHBondContact O-N 3.47Å; N15-D17 PolarHBondContact OD1-N 3.03Å; D17-R21 WeakPolarHBondContact O-CB 3.15Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.28Å; D17-R21 PolarHBondContact O-N 3.17Å; D17-R21 VanDerWaalsContact O-N 3.12Å; D17-R21 PolarHBondContact O-NE 3.32Å; D17-R21 VanDerWaalsContact O-NE 3.1Å |
| 18 | E | 94.5 | Very high | 93.1 | Very high | 119 Ų | 119 | 79.8 Ų | 79.8 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 171.8 | -172.9 | 177.4 | 173.1 | 0 | 0 | 111.6 | N15 E16 I20 R21 W22 | N15-E18 HydrophobicContact CB-CB 4.12Å; N15-E18 PolarHBondContact OD1-N 2.8Å; N15-E18 VanDerWaalsContact OD1-N 3.09Å; E16-E18 VanDerWaalsContact C-N 3.33Å; E16-E18 PolarHBondContact O-N 3.38Å; E18-I20 PolarHBondContact O-N 3.47Å; E18-R21 PolarHBondContact O-N 3.46Å; E18-W22 WeakPolarHBondContact O-CB 2.78Å; E18-W22 PolarHBondContact O-N 2.94Å |
| 19 | A | 94 | Very high | 93.5 | Very high | 5 Ų | 5 | 79 Ų | 79 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F14 N15 E16 W22 M23 Y111 | F14-A19 HydrophobicContact CE1-CB 3.99Å; F14-A19 HydrophobicContact CE2-CB 4.47Å; F14-A19 HydrophobicContact CZ-CB 3.52Å; N15-A19 PolarHBondContact O-N 2.96Å; E16-A19 PolarHBondContact O-N 3.34Å; A19-W22 PolarHBondContact O-N 3.36Å; A19-M23 WeakPolarHBondContact O-CG 2.9Å; A19-M23 PolarHBondContact O-N 3.31Å; A19-Y111 HydrophobicContact CB-CD1 4.16Å; A19-Y111 HydrophobicContact CB-CD2 3.72Å; A19-Y111 HydrophobicContact CB-CE1 4.26Å; A19-Y111 HydrophobicContact CB-CE2 3.88Å; A19-Y111 HydrophobicContact CB-CG 3.86Å |
| 20 | I | 93.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 176.7 | -69.7 | 159.7 | 0 | 0 | 0 | 110.4 | E16 E18 W22 M23 Q24 N102 Y153 M156 | E16-I20 WeakPolarHBondContact O-CB 3.47Å; E16-I20 WeakPolarHBondContact O-CD1 3.27Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.18Å; E16-I20 PolarHBondContact O-N 2.87Å; E18-I20 PolarHBondContact O-N 3.47Å; I20-W22 VanDerWaalsContact C-N 3.34Å; I20-W22 PolarHBondContact O-N 2.93Å; I20-M23 PolarHBondContact O-N 2.6Å; I20-Q24 HydrophobicContact CG2-CG 4.44Å; I20-Q24 WeakPolarHBondContact O-CG 3.47Å; I20-Q24 PolarHBondContact O-N 2.88Å; I20-N102 VanDerWaalsContact CD1-OD1 3.3Å; I20-N102 WeakPolarHBondContact CD1-OD1 3.49Å; I20-Y153 HydrophobicContact CG1-CE1 4.25Å; I20-M156 HydrophobicContact CD1-CE 4.39Å; I20-M156 HydrophobicContact CD1-SD 3.46Å; I20-M156 WeakPolarHBondContact CD1-SD 3.37Å; I20-M156 HydrophobicContact CG1-SD 4.02Å; I20-M156 HydrophobicContact CG2-CE 4.35Å; I20-M156 HydrophobicContact CG2-SD 4.4Å |
| 21 | R | 95.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 73.7 Ų | 73.7 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 176.6 | -77.4 | -177.6 | -67.8 | 170.9 | 0.8 | 111.6 | D17 E18 M23 Q24 E25 | D17-R21 WeakPolarHBondContact O-CB 3.15Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.28Å; D17-R21 PolarHBondContact O-N 3.17Å; D17-R21 VanDerWaalsContact O-N 3.12Å; D17-R21 PolarHBondContact O-NE 3.32Å; D17-R21 VanDerWaalsContact O-NE 3.1Å; E18-R21 PolarHBondContact O-N 3.46Å; R21-M23 VanDerWaalsContact C-N 3.3Å; R21-M23 PolarHBondContact O-N 2.8Å; R21-Q24 PolarHBondContact O-N 3.44Å; R21-Q24 VanDerWaalsContact O-N 3.15Å; R21-E25 WeakPolarHBondContact O-CG 3.19Å; R21-E25 PolarHBondContact O-N 3.04Å |
| 22 | W | 96.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 176.6 | -171.9 | 92.4 | 0 | 0 | 0 | 111.2 | E18 A19 I20 Q24 E25 N26 Y111 L115 W150 | E18-W22 WeakPolarHBondContact O-CB 2.78Å; E18-W22 PolarHBondContact O-N 2.94Å; A19-W22 PolarHBondContact O-N 3.36Å; I20-W22 VanDerWaalsContact C-N 3.34Å; I20-W22 PolarHBondContact O-N 2.93Å; W22-Q24 PolarHBondContact O-N 2.98Å; W22-E25 PolarHBondContact O-N 3.46Å; W22-N26 HydrophobicContact CD2-CB 4.09Å; W22-N26 HydrophobicContact CE3-CB 4.16Å; W22-N26 HydrophobicContact CH2-CB 4.18Å; W22-N26 HydrophobicContact CZ2-CB 4.1Å; W22-N26 HydrophobicContact CZ3-CB 4.2Å; W22-N26 WeakPolarHBondContact O-CB 3.48Å; W22-N26 PolarHBondContact O-N 3.02Å; W22-N26 PolarHBondContact O-ND2 3.46Å; W22-Y111 HydrophobicContact CE3-CE2 4.3Å; W22-L115 HydrophobicContact CH2-CD2 4.28Å; W22-L115 HydrophobicContact CZ3-CD2 3.91Å; W22-W150 AromaticContact CH2-CH2 3.7Å; W22-W150 HydrophobicContact CH2-CH2 3.7Å; W22-W150 AromaticContact CH2-CZ3 4Å; W22-W150 HydrophobicContact CH2-CZ3 4Å; W22-W150 AromaticContact CZ3-CH2 3.88Å; W22-W150 HydrophobicContact CZ3-CH2 3.88Å; W22-W150 HydrophobicContact CZ3-CZ3 4.01Å |
| 23 | M | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 177.1 | -72.2 | -62 | -52 | 0 | 0 | 112.5 | A19 I20 R21 E25 N26 W27 Y111 V114 W150 Y153 | A19-M23 WeakPolarHBondContact O-CG 2.9Å; A19-M23 PolarHBondContact O-N 3.31Å; I20-M23 PolarHBondContact O-N 2.6Å; R21-M23 VanDerWaalsContact C-N 3.3Å; R21-M23 PolarHBondContact O-N 2.8Å; M23-E25 VanDerWaalsContact C-N 3.32Å; M23-E25 PolarHBondContact O-N 3.12Å; M23-N26 PolarHBondContact O-N 2.93Å; M23-W27 WeakPolarHBondContact O-CA 3.27Å; M23-W27 VanDerWaalsContact O-CB 3.25Å; M23-W27 WeakPolarHBondContact O-CB 3.45Å; M23-W27 PolarHBondContact O-N 3.48Å; M23-Y111 HydrophobicContact CG-CD2 4.13Å; M23-Y111 HydrophobicContact CG-CE2 3.77Å; M23-Y111 HydrophobicContact SD-CE2 4.03Å; M23-V114 HydrophobicContact CE-CG1 3.53Å; M23-V114 HydrophobicContact SD-CG1 4.28Å; M23-W150 HydrophobicContact CE-CB 4.02Å; M23-W150 HydrophobicContact CE-CD2 3.94Å; M23-W150 HydrophobicContact CE-CE3 4.14Å; M23-W150 HydrophobicContact CE-CG 3.93Å; M23-Y153 HydrophobicContact CB-CD1 3.69Å; M23-Y153 HydrophobicContact CB-CE1 4.06Å; M23-Y153 HydrophobicContact CE-CD1 4.43Å; M23-Y153 HydrophobicContact CG-CD1 3.48Å; M23-Y153 VanDerWaalsContact CG-CD1 3.48Å; M23-Y153 HydrophobicContact CG-CE1 3.64Å; M23-Y153 HydrophobicContact CG-CG 4.48Å |
| 24 | Q | 94.4 | Very high | 95.1 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 176 | -73.1 | 174 | -14.4 | 0 | 0 | 112.8 | I20 R21 W22 W27 K154 | I20-Q24 HydrophobicContact CG2-CG 4.44Å; I20-Q24 WeakPolarHBondContact O-CG 3.47Å; I20-Q24 PolarHBondContact O-N 2.88Å; R21-Q24 PolarHBondContact O-N 3.44Å; R21-Q24 VanDerWaalsContact O-N 3.15Å; W22-Q24 PolarHBondContact O-N 2.98Å; Q24-W27 VanDerWaalsContact O-CD1 3.28Å; Q24-K154 HydrophobicContact CG-CB 4.21Å; Q24-K154 WeakPolarHBondContact CG-O 3.44Å; Q24-K154 PolarHBondContact NE2-O 2.91Å |
| 25 | E | 96.3 | Very high | 95.2 | Very high | 150 Ų | 150 | 70.6 Ų | 70.6 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78 | -33.5 | 177.6 | -69.1 | 173.5 | -175.8 | 0 | 0 | 112.5 | R21 W22 M23 | R21-E25 WeakPolarHBondContact O-CG 3.19Å; R21-E25 PolarHBondContact O-N 3.04Å; W22-E25 PolarHBondContact O-N 3.46Å; M23-E25 VanDerWaalsContact C-N 3.32Å; M23-E25 PolarHBondContact O-N 3.12Å |
| 26 | N | 96.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -113.8 | -1.2 | -164.5 | -64 | -82.1 | 0 | 0 | 0 | 115 | W22 M23 K28 K29 | W22-N26 HydrophobicContact CD2-CB 4.09Å; W22-N26 HydrophobicContact CE3-CB 4.16Å; W22-N26 HydrophobicContact CH2-CB 4.18Å; W22-N26 HydrophobicContact CZ2-CB 4.1Å; W22-N26 HydrophobicContact CZ3-CB 4.2Å; W22-N26 WeakPolarHBondContact O-CB 3.48Å; W22-N26 PolarHBondContact O-N 3.02Å; W22-N26 PolarHBondContact O-ND2 3.46Å; M23-N26 PolarHBondContact O-N 2.93Å; N26-K28 PolarHBondContact O-N 3.42Å; N26-K29 HydrophobicContact CB-CD 4.02Å; N26-K29 HydrophobicContact CB-CG 4.4Å; N26-K29 VanDerWaalsContact O-CB 3.25Å; N26-K29 WeakPolarHBondContact O-CB 3.49Å; N26-K29 WeakPolarHBondContact O-CG 3.45Å; N26-K29 PolarHBondContact O-N 2.7Å; N26-K29 WeakPolarHBondContact OD1-CE 3.47Å; N26-K29 PolarHBondContact OD1-NZ 3.06Å |
| 27 | W | 94.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.5 | -176.9 | 70.8 | -87.2 | 0 | 0 | 0 | 113.1 | M23 Q24 K29 S30 F31 W150 Y151 K154 | M23-W27 WeakPolarHBondContact O-CA 3.27Å; M23-W27 VanDerWaalsContact O-CB 3.25Å; M23-W27 WeakPolarHBondContact O-CB 3.45Å; M23-W27 PolarHBondContact O-N 3.48Å; Q24-W27 VanDerWaalsContact O-CD1 3.28Å; W27-K29 PolarHBondContact O-N 3.29Å; W27-S30 VanDerWaalsContact O-CB 3.31Å; W27-S30 WeakPolarHBondContact O-CB 3.32Å; W27-S30 PolarHBondContact O-N 3.11Å; W27-S30 VanDerWaalsContact O-N 3.16Å; W27-S30 PolarHBondContact O-OG 2.82Å; W27-F31 HydrophobicContact CE3-CE2 4.43Å; W27-F31 HydrophobicContact CH2-CE2 4.27Å; W27-F31 AromaticContact CZ3-CE2 3.68Å; W27-F31 HydrophobicContact CZ3-CE2 3.68Å; W27-F31 HydrophobicContact CZ3-CZ 4.31Å; W27-W150 HydrophobicContact CB-CB 4.44Å; W27-Y151 HydrophobicContact CE3-CD2 4.14Å; W27-Y151 HydrophobicContact CH2-CD2 4.14Å; W27-Y151 AromaticContact CZ3-CD2 3.83Å; W27-Y151 HydrophobicContact CZ3-CD2 3.83Å; W27-K154 HydrophobicContact CB-CB 4.49Å; W27-K154 HydrophobicContact CB-CD 4.47Å; W27-K154 HydrophobicContact CD2-CD 4Å; W27-K154 HydrophobicContact CG-CD 3.77Å |
| 28 | K | 95.9 | Very high | 95.8 | Very high | 138 Ų | 138 | 67.5 Ų | 67.5 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.6 | 177.5 | -63.9 | -179.2 | -177.3 | 173.7 | 0 | 113.5 | N26 S30 F31 | N26-K28 PolarHBondContact O-N 3.42Å; K28-S30 PolarHBondContact O-N 3.26Å; K28-F31 HydrophobicContact CB-CD2 4.49Å; K28-F31 WeakPolarHBondContact O-CB 3.39Å; K28-F31 WeakPolarHBondContact O-CD2 3.23Å; K28-F31 PolarHBondContact O-N 3.27Å; K28-F31 VanDerWaalsContact O-N 3.09Å |
| 29 | K | 95.3 | Very high | 95.8 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -21.1 | 173.4 | -67.1 | -176.7 | 176.1 | 163.4 | 0 | 112.2 | N26 W27 F31 L32 F33 W150 | N26-K29 HydrophobicContact CB-CD 4.02Å; N26-K29 HydrophobicContact CB-CG 4.4Å; N26-K29 VanDerWaalsContact O-CB 3.25Å; N26-K29 WeakPolarHBondContact O-CB 3.49Å; N26-K29 WeakPolarHBondContact O-CG 3.45Å; N26-K29 PolarHBondContact O-N 2.7Å; N26-K29 WeakPolarHBondContact OD1-CE 3.47Å; N26-K29 PolarHBondContact OD1-NZ 3.06Å; W27-K29 PolarHBondContact O-N 3.29Å; K29-F31 PolarHBondContact O-N 3.49Å; K29-L32 WeakPolarHBondContact O-CB 3.32Å; K29-L32 PolarHBondContact O-N 3.23Å; K29-F33 HydrophobicContact CB-CE2 4.28Å; K29-F33 WeakPolarHBondContact O-CD2 3.26Å; K29-F33 PolarHBondContact O-N 2.91Å; K29-W150 HydrophobicContact CB-CZ3 4.03Å |
| 30 | S | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.2 | -38.3 | 171.2 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | W27 K28 L32 F33 C34 | W27-S30 VanDerWaalsContact O-CB 3.31Å; W27-S30 WeakPolarHBondContact O-CB 3.32Å; W27-S30 PolarHBondContact O-N 3.11Å; W27-S30 VanDerWaalsContact O-N 3.16Å; W27-S30 PolarHBondContact O-OG 2.82Å; K28-S30 PolarHBondContact O-N 3.26Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 2.94Å; S30-F33 PolarHBondContact O-N 2.61Å; S30-C34 PolarHBondContact O-N 3.29Å; S30-C34 PolarHBondContact O-SG 3.44Å |
| 31 | F | 97.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 175.2 | -67.1 | -72.9 | 0 | 0 | 0 | 112.7 | W27 K28 K29 C34 S35 L147 | W27-F31 HydrophobicContact CE3-CE2 4.43Å; W27-F31 HydrophobicContact CH2-CE2 4.27Å; W27-F31 AromaticContact CZ3-CE2 3.68Å; W27-F31 HydrophobicContact CZ3-CE2 3.68Å; W27-F31 HydrophobicContact CZ3-CZ 4.31Å; K28-F31 HydrophobicContact CB-CD2 4.49Å; K28-F31 WeakPolarHBondContact O-CB 3.39Å; K28-F31 WeakPolarHBondContact O-CD2 3.23Å; K28-F31 PolarHBondContact O-N 3.27Å; K28-F31 VanDerWaalsContact O-N 3.09Å; K29-F31 PolarHBondContact O-N 3.49Å; F31-C34 PolarHBondContact O-N 2.91Å; F31-S35 WeakPolarHBondContact O-CB 3.29Å; F31-S35 PolarHBondContact O-N 2.83Å; F31-S35 PolarHBondContact O-OG 2.94Å; F31-L147 HydrophobicContact CD1-CD2 3.61Å; F31-L147 HydrophobicContact CE1-CD1 4.36Å; F31-L147 HydrophobicContact CE1-CD2 3.78Å; F31-L147 HydrophobicContact CG-CD2 4.05Å; F31-L147 HydrophobicContact CZ-CD2 4.34Å |
| 32 | L | 96.5 | Very high | 95.8 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 174.4 | 176.4 | 62.6 | 0 | 0 | 0 | 110.3 | K29 S30 C34 S35 L36 | K29-L32 WeakPolarHBondContact O-CB 3.32Å; K29-L32 PolarHBondContact O-N 3.23Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 2.94Å; L32-C34 PolarHBondContact O-N 3.43Å; L32-S35 PolarHBondContact O-N 3.38Å; L32-L36 HydrophobicContact CD1-CD1 4.24Å; L32-L36 HydrophobicContact CD1-CG 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.11Å; L32-L36 HydrophobicContact CG-CG 4.49Å; L32-L36 WeakPolarHBondContact O-CB 3.12Å; L32-L36 WeakPolarHBondContact O-CG 2.89Å; L32-L36 PolarHBondContact O-N 2.91Å |
| 33 | F | 96.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 176.5 | -66.2 | -44.4 | 0 | 0 | 0 | 112.6 | K29 S30 S35 L36 Y37 A118 L146 W150 | K29-F33 HydrophobicContact CB-CE2 4.28Å; K29-F33 WeakPolarHBondContact O-CD2 3.26Å; K29-F33 PolarHBondContact O-N 2.91Å; S30-F33 PolarHBondContact O-N 2.61Å; F33-S35 PolarHBondContact O-N 3.49Å; F33-L36 PolarHBondContact O-N 3.39Å; F33-Y37 WeakPolarHBondContact O-CB 3.12Å; F33-Y37 PolarHBondContact O-N 2.95Å; F33-A118 HydrophobicContact CD2-CB 4.4Å; F33-L146 HydrophobicContact CB-CD2 3.85Å; F33-W150 HydrophobicContact CD2-CH2 4.2Å; F33-W150 HydrophobicContact CD2-CZ2 4.39Å; F33-W150 AromaticContact CE2-CH2 3.57Å; F33-W150 HydrophobicContact CE2-CH2 3.57Å; F33-W150 HydrophobicContact CE2-CZ2 4.05Å; F33-W150 HydrophobicContact CE2-CZ3 4.12Å |
| 34 | C | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.081 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.6 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | S30 F31 L32 Y37 A38 I143 | S30-C34 PolarHBondContact O-N 3.29Å; S30-C34 PolarHBondContact O-SG 3.44Å; F31-C34 PolarHBondContact O-N 2.91Å; L32-C34 PolarHBondContact O-N 3.43Å; C34-Y37 WeakPolarHBondContact O-CB 3.31Å; C34-Y37 PolarHBondContact O-N 3.42Å; C34-A38 WeakPolarHBondContact O-CB 3.11Å; C34-A38 PolarHBondContact O-N 3.28Å; C34-I143 HydrophobicContact CB-CG2 4.27Å |
| 35 | S | 96.4 | Very high | 95.6 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 53% | 0.531 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | F31 L32 F33 Y37 A38 A39 | F31-S35 WeakPolarHBondContact O-CB 3.29Å; F31-S35 PolarHBondContact O-N 2.83Å; F31-S35 PolarHBondContact O-OG 2.94Å; L32-S35 PolarHBondContact O-N 3.38Å; F33-S35 PolarHBondContact O-N 3.49Å; S35-Y37 VanDerWaalsContact C-N 3.34Å; S35-Y37 PolarHBondContact O-N 3.44Å; S35-A38 PolarHBondContact O-N 2.93Å; S35-A39 WeakPolarHBondContact O-CB 3.48Å; S35-A39 PolarHBondContact O-N 3.5Å |
| 36 | L | 96.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173.9 | -69.8 | 174.1 | 0 | 0 | 0 | 111.3 | L32 F33 A39 C40 | L32-L36 HydrophobicContact CD1-CD1 4.24Å; L32-L36 HydrophobicContact CD1-CG 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.11Å; L32-L36 HydrophobicContact CG-CG 4.49Å; L32-L36 WeakPolarHBondContact O-CB 3.12Å; L32-L36 WeakPolarHBondContact O-CG 2.89Å; L32-L36 PolarHBondContact O-N 2.91Å; F33-L36 PolarHBondContact O-N 3.39Å; L36-A39 PolarHBondContact O-N 3.33Å; L36-C40 WeakPolarHBondContact O-CB 3.47Å; L36-C40 PolarHBondContact O-N 3.43Å; L36-C40 PolarHBondContact O-SG 3.17Å |
| 37 | Y | 96.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.1 | 173.6 | -107.3 | 0 | 0 | 0 | 112.4 | F33 C34 S35 A39 C40 I41 L121 T124 W139 I143 | F33-Y37 WeakPolarHBondContact O-CB 3.12Å; F33-Y37 PolarHBondContact O-N 2.95Å; C34-Y37 WeakPolarHBondContact O-CB 3.31Å; C34-Y37 PolarHBondContact O-N 3.42Å; S35-Y37 VanDerWaalsContact C-N 3.34Å; S35-Y37 PolarHBondContact O-N 3.44Å; Y37-A39 PolarHBondContact O-N 2.96Å; Y37-C40 WeakPolarHBondContact O-CB 3.25Å; Y37-C40 PolarHBondContact O-N 3.12Å; Y37-I41 HydrophobicContact CD1-CD1 3.88Å; Y37-I41 HydrophobicContact CD2-CD1 4.46Å; Y37-I41 HydrophobicContact CE1-CD1 3.39Å; Y37-I41 HydrophobicContact CE2-CD1 4.07Å; Y37-I41 HydrophobicContact CE2-CG1 4.46Å; Y37-I41 HydrophobicContact CG-CD1 4.39Å; Y37-I41 WeakPolarHBondContact O-CG1 3.45Å; Y37-I41 PolarHBondContact O-N 2.77Å; Y37-L121 HydrophobicContact CD1-CD2 4.37Å; Y37-L121 HydrophobicContact CD2-CB 3.72Å; Y37-L121 HydrophobicContact CD2-CD1 4.12Å; Y37-L121 HydrophobicContact CD2-CD2 3.78Å; Y37-L121 HydrophobicContact CD2-CG 4.06Å; Y37-L121 HydrophobicContact CE1-CD2 4.45Å; Y37-L121 HydrophobicContact CE2-CB 3.95Å; Y37-L121 HydrophobicContact CE2-CD2 3.83Å; Y37-L121 HydrophobicContact CE2-CG 4.41Å; Y37-L121 HydrophobicContact CG-CD1 4.19Å; Y37-L121 HydrophobicContact CG-CD2 4.03Å; Y37-L121 HydrophobicContact CG-CG 4.48Å; Y37-T124 HydrophobicContact CE2-CG2 3.93Å; Y37-T124 WeakPolarHBondContact CE2-OG1 3.42Å; Y37-T124 WeakPolarHBondContact OH-CB 3.39Å; Y37-T124 WeakPolarHBondContact OH-CG2 3.43Å; Y37-T124 PolarHBondContact OH-OG1 3.44Å; Y37-W139 HydrophobicContact CE1-CB 4.18Å; Y37-W139 WeakPolarHBondContact OH-CA 3.18Å; Y37-I143 HydrophobicContact CD1-CD1 3.95Å; Y37-I143 HydrophobicContact CD1-CG1 3.61Å; Y37-I143 HydrophobicContact CE1-CD1 4.04Å; Y37-I143 HydrophobicContact CE1-CG1 3.67Å |
| 38 | A | 95.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C34 S35 C40 I41 I42 | C34-A38 WeakPolarHBondContact O-CB 3.11Å; C34-A38 PolarHBondContact O-N 3.28Å; S35-A38 PolarHBondContact O-N 2.93Å; A38-C40 VanDerWaalsContact C-N 3.34Å; A38-C40 PolarHBondContact O-N 3.49Å; A38-I41 PolarHBondContact O-N 3.39Å; A38-I42 WeakPolarHBondContact O-CG1 3.49Å; A38-I42 PolarHBondContact O-N 2.92Å |
| 39 | A | 96 | Very high | 95.1 | Very high | 58 Ų | 58 | 70.6 Ų | 70.6 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S35 L36 Y37 I41 I42 G43 | S35-A39 WeakPolarHBondContact O-CB 3.48Å; S35-A39 PolarHBondContact O-N 3.5Å; L36-A39 PolarHBondContact O-N 3.33Å; Y37-A39 PolarHBondContact O-N 2.96Å; A39-I41 PolarHBondContact O-N 3.37Å; A39-I42 PolarHBondContact O-N 3.26Å; A39-G43 PolarHBondContact O-N 3.45Å |
| 40 | C | 94.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 74.9 Ų | 74.9 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 112.6 | L36 Y37 A38 G44 | L36-C40 WeakPolarHBondContact O-CB 3.47Å; L36-C40 PolarHBondContact O-N 3.43Å; L36-C40 PolarHBondContact O-SG 3.17Å; Y37-C40 WeakPolarHBondContact O-CB 3.25Å; Y37-C40 PolarHBondContact O-N 3.12Å; A38-C40 VanDerWaalsContact C-N 3.34Å; A38-C40 PolarHBondContact O-N 3.49Å; C40-G44 VanDerWaalsContact O-CA 3.27Å; C40-G44 WeakPolarHBondContact O-CA 3.48Å; C40-G44 PolarHBondContact O-N 3.49Å |
| 41 | I | 94.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 82 Ų | 82 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.9 | -50.7 | 174.4 | -70.4 | 166.6 | 0 | 0 | 0 | 110.3 | Y37 A38 A39 R45 T124 L134 W139 | Y37-I41 HydrophobicContact CD1-CD1 3.88Å; Y37-I41 HydrophobicContact CD2-CD1 4.46Å; Y37-I41 HydrophobicContact CE1-CD1 3.39Å; Y37-I41 HydrophobicContact CE2-CD1 4.07Å; Y37-I41 HydrophobicContact CE2-CG1 4.46Å; Y37-I41 HydrophobicContact CG-CD1 4.39Å; Y37-I41 WeakPolarHBondContact O-CG1 3.45Å; Y37-I41 PolarHBondContact O-N 2.77Å; A38-I41 PolarHBondContact O-N 3.39Å; A39-I41 PolarHBondContact O-N 3.37Å; I41-R45 VanDerWaalsContact O-CB 3.27Å; I41-R45 WeakPolarHBondContact O-CB 3.41Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 2.92Å; I41-T124 HydrophobicContact CD1-CG2 3.97Å; I41-T124 HydrophobicContact CG1-CG2 3.77Å; I41-L134 HydrophobicContact CD1-CD2 4.12Å; I41-L134 HydrophobicContact CG1-CD2 4.17Å; I41-L134 HydrophobicContact CG2-CD2 3.65Å; I41-W139 HydrophobicContact CD1-CB 4.02Å |
| 42 | I | 94.9 | Very high | 94.3 | Very high | 122 Ų | 122 | 85.2 Ų | 85.2 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.9 | -52.3 | -175.5 | -63.8 | 167 | 0 | 0 | 0 | 110.1 | A38 A39 R45 H46 | A38-I42 WeakPolarHBondContact O-CG1 3.49Å; A38-I42 PolarHBondContact O-N 2.92Å; A39-I42 PolarHBondContact O-N 3.26Å; I42-R45 PolarHBondContact O-N 3.25Å; I42-H46 WeakPolarHBondContact O-CB 3.38Å; I42-H46 PolarHBondContact O-N 2.81Å |
| 43 | G | 94.7 | Very high | 94.1 | Very high | 31 Ų | 31 | 84.2 Ų | 84.2 | 32% | 0.32 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A39 R45 H46 L47 | A39-G43 PolarHBondContact O-N 3.45Å; G43-R45 PolarHBondContact O-N 3.49Å; G43-H46 PolarHBondContact O-N 2.83Å; G43-L47 WeakPolarHBondContact O-CB 3.33Å; G43-L47 VanDerWaalsContact O-CG 3.31Å; G43-L47 WeakPolarHBondContact O-CG 3.05Å; G43-L47 PolarHBondContact O-N 3.42Å |
| 44 | G | 93.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 84.9 Ų | 84.9 | 16% | 0.155 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C40 H46 L47 M48 V128 | C40-G44 VanDerWaalsContact O-CA 3.27Å; C40-G44 WeakPolarHBondContact O-CA 3.48Å; C40-G44 PolarHBondContact O-N 3.49Å; G44-H46 VanDerWaalsContact C-N 3.34Å; G44-H46 PolarHBondContact O-N 3.18Å; G44-L47 PolarHBondContact O-N 3.25Å; G44-M48 VanDerWaalsContact O-CB 3.28Å; G44-M48 WeakPolarHBondContact O-CB 3.27Å; G44-M48 WeakPolarHBondContact O-CG 3.39Å; G44-M48 PolarHBondContact O-N 2.93Å; G44-V128 VanDerWaalsContact C-CG1 3.44Å |
| 45 | R | 92.8 | Very high | 93.4 | Very high | 154 Ų | 154 | 89.4 Ų | 89.4 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 175.1 | -74.5 | 179.8 | 74.8 | 178.7 | 3.4 | 112.2 | I41 I42 G43 K49 V128 | I41-R45 VanDerWaalsContact O-CB 3.27Å; I41-R45 WeakPolarHBondContact O-CB 3.41Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 2.92Å; I42-R45 PolarHBondContact O-N 3.25Å; G43-R45 PolarHBondContact O-N 3.49Å; R45-K49 WeakPolarHBondContact O-CG 3.5Å; R45-K49 PolarHBondContact O-N 3.42Å; R45-V128 HydrophobicContact CG-CG1 4.13Å; R45-V128 HydrophobicContact CG-CG2 4.28Å |
| 46 | H | 94.1 | Very high | 93.1 | Very high | 129 Ų | 129 | 87.6 Ų | 87.6 | 60% | 0.597 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65 | -49.9 | 177 | -175.1 | 89.8 | 0 | 0 | 0 | 111.4 | I42 G43 G44 M48 K49 | I42-H46 WeakPolarHBondContact O-CB 3.38Å; I42-H46 PolarHBondContact O-N 2.81Å; G43-H46 PolarHBondContact O-N 2.83Å; G44-H46 VanDerWaalsContact C-N 3.34Å; G44-H46 PolarHBondContact O-N 3.18Å; H46-M48 VanDerWaalsContact C-N 3.34Å; H46-M48 PolarHBondContact O-N 2.92Å; H46-K49 WeakPolarHBondContact O-CB 3.43Å; H46-K49 PolarHBondContact O-N 3.27Å |
| 47 | L | 94.3 | Very high | 92.7 | Very high | 109 Ų | 109 | 87.9 Ų | 87.9 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 178.8 | -69.5 | 173 | 0 | 0 | 0 | 112.4 | G43 G44 K49 | G43-L47 WeakPolarHBondContact O-CB 3.33Å; G43-L47 VanDerWaalsContact O-CG 3.31Å; G43-L47 WeakPolarHBondContact O-CG 3.05Å; G43-L47 PolarHBondContact O-N 3.42Å; G44-L47 PolarHBondContact O-N 3.25Å; L47-K49 PolarHBondContact O-N 2.92Å |
| 48 | M | 93.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 96 Ų | 96 | 4% | 0.044 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71.4 | -14.9 | 179.9 | -69.9 | -60 | -60.2 | 0 | 0 | 113.3 | G44 H46 Q50 R51 E52 F54 V128 L129 K131 | G44-M48 VanDerWaalsContact O-CB 3.28Å; G44-M48 WeakPolarHBondContact O-CB 3.27Å; G44-M48 WeakPolarHBondContact O-CG 3.39Å; G44-M48 PolarHBondContact O-N 2.93Å; H46-M48 VanDerWaalsContact C-N 3.34Å; H46-M48 PolarHBondContact O-N 2.92Å; M48-Q50 PolarHBondContact O-N 2.82Å; M48-R51 PolarHBondContact O-N 2.58Å; M48-R51 HydrophobicContact SD-CB 4.37Å; M48-E52 VanDerWaalsContact CE-O 3.23Å; M48-E52 WeakPolarHBondContact CE-O 3.31Å; M48-F54 HydrophobicContact CE-CD2 3.75Å; M48-F54 HydrophobicContact CE-CE2 3.95Å; M48-F54 HydrophobicContact SD-CD2 3.89Å; M48-F54 HydrophobicContact SD-CE2 3.57Å; M48-F54 VanDerWaalsContact SD-CE2 3.57Å; M48-V128 HydrophobicContact CG-CG1 4.38Å; M48-L129 WeakPolarHBondContact CE-O 3.33Å; M48-L129 HydrophobicContact SD-CD2 4.05Å; M48-K131 HydrophobicContact CE-CG 3.93Å; M48-K131 WeakPolarHBondContact O-CE 3.23Å; M48-K131 PolarHBondContact O-NZ 3.31Å |
| 49 | K | 90.9 | Very high | 92.5 | Very high | 153 Ų | 153 | 97.3 Ų | 97.3 | 67% | 0.665 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.9 | -39.8 | 175.4 | -77 | 175.1 | -179.8 | -174.6 | 0 | 111.8 | R45 H46 L47 | R45-K49 WeakPolarHBondContact O-CG 3.5Å; R45-K49 PolarHBondContact O-N 3.42Å; H46-K49 WeakPolarHBondContact O-CB 3.43Å; H46-K49 PolarHBondContact O-N 3.27Å; L47-K49 PolarHBondContact O-N 2.92Å |
| 50 | Q | 91.9 | Very high | 92.3 | Very high | 180 Ų | 180 | 95.2 Ų | 95.2 | 84% | 0.841 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.2 | -175.3 | -59.3 | -61.9 | -14.6 | 0 | 0 | 114.2 | M48 | M48-Q50 PolarHBondContact O-N 2.82Š|
| 51 | R | 90.6 | Very high | 92.2 | Very high | 151 Ų | 151 | 93 Ų | 93 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -114.9 | 157.5 | -177.4 | -64.4 | -172.4 | 178.9 | -135.8 | 0.7 | 111.3 | M48 K131 | M48-R51 PolarHBondContact O-N 2.58Å; M48-R51 HydrophobicContact SD-CB 4.37Å; R51-K131 WeakPolarHBondContact O-CE 3.29Å; R51-K131 PolarHBondContact O-NZ 3.27Å |
| 52 | E | 90.1 | Very high | 92.3 | Very high | 172 Ų | 172 | 97.6 Ų | 97.6 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 165.8 | 169.8 | -64.2 | -168.9 | 158.1 | 0 | 0 | 111.9 | M48 | M48-E52 VanDerWaalsContact CE-O 3.23Å; M48-E52 WeakPolarHBondContact CE-O 3.31Å |
| 53 | K | 91.3 | Very high | 92.3 | Very high | 81 Ų | 81 | 95 Ų | 95 | 35% | 0.352 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 140.1 | 175.6 | 64.4 | 179.6 | -175.2 | 176.7 | 0 | 109.8 | E55 K131 T272 | K53-E55 WeakPolarHBondContact CE-OE1 3.5Å; K53-E55 IonicContact NZ-OE1 2.71Å; K53-K131 HydrophobicContact CB-CB 4.46Å; K53-K131 HydrophobicContact CB-CD 4.36Å; K53-K131 HydrophobicContact CB-CG 4.31Å; K53-T272 PolarHBondContact NZ-O 3.03Å |
| 54 | F | 89.9 | Confident | 92.3 | Very high | 86 Ų | 86 | 93.8 Ų | 93.8 | 38% | 0.377 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -83 | 138.5 | 173.9 | -71 | -81.1 | 0 | 0 | 0 | 111.9 | M48 L56 L129 | M48-F54 HydrophobicContact CE-CD2 3.75Å; M48-F54 HydrophobicContact CE-CE2 3.95Å; M48-F54 HydrophobicContact SD-CD2 3.89Å; M48-F54 HydrophobicContact SD-CE2 3.57Å; M48-F54 VanDerWaalsContact SD-CE2 3.57Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 HydrophobicContact CB-CD1 4.01Å; F54-L56 HydrophobicContact CB-CD2 4.26Å; F54-L56 HydrophobicContact CB-CG 3.74Å; F54-L56 PolarHBondContact O-N 3.17Å; F54-L56 VanDerWaalsContact O-N 3.08Å; F54-L129 HydrophobicContact CD2-CB 4.14Å; F54-L129 HydrophobicContact CD2-CD2 4.17Å; F54-L129 WeakPolarHBondContact CD2-O 3.36Å; F54-L129 HydrophobicContact CE2-CD2 4.2Å; F54-L129 PolarHBondContact N-O 3.3Å; F54-L129 VanDerWaalsContact N-O 3.1Å |
| 55 | E | 89.9 | Confident | 92.5 | Very high | 108 Ų | 108 | 97.3 Ų | 97.3 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | trans | -85 | 71 | 173.9 | -70.3 | -60.8 | 143 | 0 | 0 | 111.3 | K53 R57 | K53-E55 WeakPolarHBondContact CE-OE1 3.5Å; K53-E55 IonicContact NZ-OE1 2.71Å; E55-R57 VanDerWaalsContact C-N 3.27Å; E55-R57 PolarHBondContact O-N 3.27Å | ||
| 56 | L | 89.8 | Confident | 92.7 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 19% | 0.194 | 44% | 0.441 | C | S | . | . | trans | -89.2 | 30 | -176.5 | -60.3 | 171.8 | 0 | 0 | 0 | 113.7 | F54 P59 L60 F126 L129 R130 | F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 HydrophobicContact CB-CD1 4.01Å; F54-L56 HydrophobicContact CB-CD2 4.26Å; F54-L56 HydrophobicContact CB-CG 3.74Å; F54-L56 PolarHBondContact O-N 3.17Å; F54-L56 VanDerWaalsContact O-N 3.08Å; L56-P59 HydrophobicContact CD2-CG 4.48Å; L56-P59 WeakPolarHBondContact O-CD 3.42Å; L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 PolarHBondContact O-N 3.38Å; L56-F126 HydrophobicContact CB-CD1 4.04Å; L56-F126 HydrophobicContact CB-CE1 4.17Å; L56-F126 HydrophobicContact CD1-CD1 4Å; L56-F126 HydrophobicContact CD1-CE1 4.35Å; L56-L129 HydrophobicContact CD1-CB 3.67Å; L56-L129 HydrophobicContact CD1-CD1 3.75Å; L56-L129 HydrophobicContact CD1-CG 4.38Å; L56-R130 HydrophobicContact CB-CG 4.38Å; L56-R130 HydrophobicContact CD1-CG 4.23Å | ||
| 57 | R | 88.7 | Confident | 92.8 | Very high | 100 Ų | 100 | 88.4 Ų | 88.4 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | -173.6 | -174.7 | 174.5 | 172.4 | -173.6 | -8.6 | 112.8 | E55 L60 V61 A182 A183 | E55-R57 VanDerWaalsContact C-N 3.27Å; E55-R57 PolarHBondContact O-N 3.27Å; R57-L60 PolarHBondContact O-N 3.49Å; R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 2.86Å; R57-A182 WeakPolarHBondContact CG-O 3.46Å; R57-A182 PolarHBondContact NE-O 3.5Å; R57-A183 VanDerWaalsContact NH2-C 3.34Å; R57-A183 PolarHBondContact NH2-O 3.36Å |
| 58 | K | 91.8 | Very high | 93 | Very high | 184 Ų | 184 | 83.3 Ų | 83.3 | 80% | 0.8 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -47.9 | -179.6 | -59.2 | 179.3 | -178.7 | 178.8 | 0 | 112.2 | L60 V61 L62 | K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.02Å; K58-V61 PolarHBondContact O-N 3.47Å; K58-L62 PolarHBondContact O-N 3.38Å |
| 59 | P | 94.9 | Very high | 93.2 | Very high | 62 Ų | 62 | 86 Ų | 86 | 40% | 0.403 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 173.1 | -27.6 | 35.9 | 0 | 0 | 0 | 113.3 | L56 L62 W63 F126 | L56-P59 HydrophobicContact CD2-CG 4.48Å; L56-P59 WeakPolarHBondContact O-CD 3.42Å; P59-L62 PolarHBondContact O-N 3.4Å; P59-W63 WeakPolarHBondContact O-CB 3.26Å; P59-W63 PolarHBondContact O-N 3Å; P59-F126 HydrophobicContact CB-CE1 3.97Å; P59-F126 HydrophobicContact CB-CZ 4.29Å |
| 60 | L | 91.2 | Very high | 93.6 | Very high | 14 Ų | 14 | 81.2 Ų | 81.2 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.8 | -179 | 63 | 0 | 0 | 0 | 113 | L56 R57 K58 S64 F126 A182 I270 | L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 PolarHBondContact O-N 3.38Å; R57-L60 PolarHBondContact O-N 3.49Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.02Å; L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.06Å; L60-S64 PolarHBondContact O-N 3.15Å; L60-S64 PolarHBondContact O-OG 2.93Å; L60-F126 HydrophobicContact CB-CD1 4.24Å; L60-F126 HydrophobicContact CB-CE1 4.32Å; L60-F126 HydrophobicContact CD1-CB 4.08Å; L60-F126 HydrophobicContact CD1-CD1 4.22Å; L60-F126 HydrophobicContact CD1-CD2 4Å; L60-F126 HydrophobicContact CD1-CG 3.84Å; L60-A182 HydrophobicContact CD2-CB 4.38Å; L60-A182 HydrophobicContact CG-CB 4.26Å; L60-I270 HydrophobicContact CD2-CD1 3.5Å; L60-I270 HydrophobicContact CD2-CG1 3.74Å |
| 61 | V | 93.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 22% | 0.218 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -51.7 | 173.2 | 172.7 | 0 | 0 | 0 | 0 | 110 | R57 K58 W63 S64 L65 A182 A183 | R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 2.86Å; K58-V61 PolarHBondContact O-N 3.47Å; V61-W63 PolarHBondContact O-N 2.6Å; V61-S64 PolarHBondContact O-N 3.48Å; V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 PolarHBondContact O-N 3.14Å; V61-A182 HydrophobicContact CB-CB 4.4Å; V61-A182 HydrophobicContact CG2-CB 3.45Å; V61-A182 VanDerWaalsContact CG2-CB 3.45Å; V61-A182 WeakPolarHBondContact CG2-O 3.46Å; V61-A183 HydrophobicContact CG1-CB 4.36Å; V61-A183 HydrophobicContact CG2-CB 4.28Å |
| 62 | L | 96.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 69 Ų | 69 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | -179 | -178.9 | 61 | 0 | 0 | 0 | 110.9 | K58 P59 L65 T66 | K58-L62 PolarHBondContact O-N 3.38Å; P59-L62 PolarHBondContact O-N 3.4Å; L62-L65 PolarHBondContact O-N 2.91Å; L62-T66 PolarHBondContact O-N 3.3Å; L62-T66 PolarHBondContact O-OG1 3.29Å; L62-T66 VanDerWaalsContact O-OG1 3.05Å |
| 63 | W | 95.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.1 | -52.9 | 176.8 | 178 | -97.3 | 0 | 0 | 0 | 112.6 | P59 V61 L65 T66 L67 P119 D123 F126 | P59-W63 WeakPolarHBondContact O-CB 3.26Å; P59-W63 PolarHBondContact O-N 3Å; V61-W63 PolarHBondContact O-N 2.6Å; W63-L65 VanDerWaalsContact C-N 3.29Å; W63-L65 PolarHBondContact O-N 3.05Å; W63-T66 PolarHBondContact O-N 3.32Å; W63-L67 HydrophobicContact CZ2-CD1 4Å; W63-L67 PolarHBondContact O-N 3.39Å; W63-P119 HydrophobicContact CH2-CB 4.1Å; W63-P119 VanDerWaalsContact CH2-O 3.25Å; W63-P119 WeakPolarHBondContact CH2-O 3.47Å; W63-P119 WeakPolarHBondContact CZ2-O 3.47Å; W63-D123 PolarHBondContact NE1-OD1 2.83Å; W63-F126 HydrophobicContact CB-CE2 3.91Å; W63-F126 HydrophobicContact CB-CZ 4.09Å; W63-F126 AromaticContact CD1-CE2 3.74Å; W63-F126 AromaticContact CD2-CE2 3.88Å; W63-F126 HydrophobicContact CD2-CE2 3.88Å; W63-F126 HydrophobicContact CG-CD2 4.37Å; W63-F126 AromaticContact CG-CE2 3.55Å; W63-F126 HydrophobicContact CG-CE2 3.55Å; W63-F126 HydrophobicContact CG-CZ 4.21Å |
| 64 | S | 94.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | L60 V61 A68 | L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.06Å; L60-S64 PolarHBondContact O-N 3.15Å; L60-S64 PolarHBondContact O-OG 2.93Å; V61-S64 PolarHBondContact O-N 3.48Å; S64-A68 VanDerWaalsContact O-CB 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.23Å; S64-A68 PolarHBondContact O-N 2.92Å |
| 65 | L | 96.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.3 | -177.6 | 63.7 | 0 | 0 | 0 | 111.4 | V61 L62 W63 L67 A68 V69 A179 | V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 PolarHBondContact O-N 3.14Å; L62-L65 PolarHBondContact O-N 2.91Å; W63-L65 VanDerWaalsContact C-N 3.29Å; W63-L65 PolarHBondContact O-N 3.05Å; L65-L67 PolarHBondContact O-N 3.19Å; L65-A68 WeakPolarHBondContact O-CB 3.16Å; L65-A68 PolarHBondContact O-N 3.1Å; L65-V69 HydrophobicContact CD1-CG2 4.33Å; L65-V69 HydrophobicContact CG-CG2 4.5Å; L65-V69 WeakPolarHBondContact O-CG2 3.45Å; L65-V69 PolarHBondContact O-N 3.18Å; L65-A179 HydrophobicContact CB-CB 4.25Å |
| 66 | T | 97.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | L62 W63 A68 V69 F70 | L62-T66 PolarHBondContact O-N 3.3Å; L62-T66 PolarHBondContact O-OG1 3.29Å; L62-T66 VanDerWaalsContact O-OG1 3.05Å; W63-T66 PolarHBondContact O-N 3.32Å; T66-A68 VanDerWaalsContact C-N 3.33Å; T66-A68 PolarHBondContact O-N 3.46Å; T66-V69 PolarHBondContact O-N 3.44Å; T66-F70 VanDerWaalsContact O-CB 3.31Å; T66-F70 WeakPolarHBondContact O-CB 3.44Å; T66-F70 PolarHBondContact O-N 2.92Å |
| 67 | L | 96.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 177 | -67.9 | 179.6 | 0 | 0 | 0 | 112.5 | W63 L65 S71 Y175 | W63-L67 HydrophobicContact CZ2-CD1 4Å; W63-L67 PolarHBondContact O-N 3.39Å; L65-L67 PolarHBondContact O-N 3.19Å; L67-S71 VanDerWaalsContact O-CB 3.25Å; L67-S71 WeakPolarHBondContact O-CB 3.05Å; L67-S71 PolarHBondContact O-N 3.26Å; L67-S71 PolarHBondContact O-OG 3.22Å; L67-Y175 HydrophobicContact CB-CD1 3.89Å; L67-Y175 HydrophobicContact CB-CD2 3.76Å; L67-Y175 HydrophobicContact CB-CE1 4.1Å; L67-Y175 HydrophobicContact CB-CE2 3.95Å; L67-Y175 HydrophobicContact CB-CG 3.74Å; L67-Y175 HydrophobicContact CD1-CD1 4.06Å; L67-Y175 HydrophobicContact CD1-CE1 3.46Å; L67-Y175 VanDerWaalsContact CD1-CE1 3.46Å; L67-Y175 HydrophobicContact CD1-CE2 4.07Å; L67-Y175 VanDerWaalsContact CD1-CZ 3.48Å; L67-Y175 HydrophobicContact CG-CE1 4.44Å |
| 68 | A | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -51.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | S64 L65 T66 S71 I72 | S64-A68 VanDerWaalsContact O-CB 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.23Å; S64-A68 PolarHBondContact O-N 2.92Å; L65-A68 WeakPolarHBondContact O-CB 3.16Å; L65-A68 PolarHBondContact O-N 3.1Å; T66-A68 VanDerWaalsContact C-N 3.33Å; T66-A68 PolarHBondContact O-N 3.46Å; A68-S71 PolarHBondContact O-N 2.72Å; A68-I72 WeakPolarHBondContact O-CB 3.41Å; A68-I72 WeakPolarHBondContact O-CD1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 2.91Å |
| 69 | V | 98.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | L65 T66 S71 I72 F73 | L65-V69 HydrophobicContact CD1-CG2 4.33Å; L65-V69 HydrophobicContact CG-CG2 4.5Å; L65-V69 WeakPolarHBondContact O-CG2 3.45Å; L65-V69 PolarHBondContact O-N 3.18Å; T66-V69 PolarHBondContact O-N 3.44Å; V69-S71 VanDerWaalsContact C-N 3.28Å; V69-S71 PolarHBondContact O-N 3.32Å; V69-I72 PolarHBondContact O-N 3.44Å; V69-F73 HydrophobicContact CG1-CD2 3.71Å; V69-F73 HydrophobicContact CG1-CE2 3.7Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.35Å; V69-F73 PolarHBondContact O-N 2.87Å |
| 70 | F | 97.9 | Very high | 96 | Very high | 51 Ų | 51 | 42 Ų | 42 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.4 | -47.5 | 175.5 | 172.2 | -106.6 | 0 | 0 | 0 | 111.8 | T66 G74 W109 A112 S116 Y168 | T66-F70 VanDerWaalsContact O-CB 3.31Å; T66-F70 WeakPolarHBondContact O-CB 3.44Å; T66-F70 PolarHBondContact O-N 2.92Å; F70-G74 PolarHBondContact O-N 2.99Å; F70-W109 HydrophobicContact CD2-CZ3 4.12Å; F70-W109 HydrophobicContact CE2-CE3 4.41Å; F70-W109 HydrophobicContact CE2-CZ3 4.02Å; F70-A112 HydrophobicContact CE2-CB 3.92Å; F70-A112 HydrophobicContact CZ-CB 3.98Å; F70-S116 VanDerWaalsContact CE1-CB 3.46Å; F70-Y168 HydrophobicContact CD1-CE1 4.21Å; F70-Y168 AromaticContact CE1-CE1 3.59Å; F70-Y168 HydrophobicContact CE1-CE1 3.59Å; F70-Y168 AromaticContact CZ-CE1 3.84Å; F70-Y168 HydrophobicContact CZ-CE1 3.84Å; F70-Y168 WeakPolarHBondContact CZ-OH 3.41Å |
| 71 | S | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.6 | -34.3 | -178.4 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | L67 A68 V69 A75 | L67-S71 VanDerWaalsContact O-CB 3.25Å; L67-S71 WeakPolarHBondContact O-CB 3.05Å; L67-S71 PolarHBondContact O-N 3.26Å; L67-S71 PolarHBondContact O-OG 3.22Å; A68-S71 PolarHBondContact O-N 2.72Å; V69-S71 VanDerWaalsContact C-N 3.28Å; V69-S71 PolarHBondContact O-N 3.32Å; S71-A75 WeakPolarHBondContact O-CB 3.39Å; S71-A75 PolarHBondContact O-N 2.91Å |
| 72 | I | 98.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 175.8 | -71.5 | 162.5 | 0 | 0 | 0 | 110 | A68 V69 G74 A75 V76 A172 | A68-I72 WeakPolarHBondContact O-CB 3.41Å; A68-I72 WeakPolarHBondContact O-CD1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 2.91Å; V69-I72 PolarHBondContact O-N 3.44Å; I72-G74 PolarHBondContact O-N 3.24Å; I72-A75 PolarHBondContact O-N 2.96Å; I72-V76 WeakPolarHBondContact O-CG2 3.4Å; I72-V76 PolarHBondContact O-N 3.4Å; I72-A172 HydrophobicContact CB-CB 4.49Å; I72-A172 HydrophobicContact CG1-CB 3.71Å |
| 73 | F | 96.7 | Very high | 96.1 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 45% | 0.452 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.3 | -81.7 | -82.7 | 0 | 0 | 0 | 110.9 | V69 A75 V76 R77 W109 | V69-F73 HydrophobicContact CG1-CD2 3.71Å; V69-F73 HydrophobicContact CG1-CE2 3.7Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.35Å; V69-F73 PolarHBondContact O-N 2.87Å; F73-A75 VanDerWaalsContact C-N 3.35Å; F73-A75 PolarHBondContact O-N 2.82Å; F73-V76 PolarHBondContact O-N 2.92Å; F73-R77 WeakPolarHBondContact O-CB 3.5Å; F73-R77 VanDerWaalsContact O-CG 3.22Å; F73-R77 WeakPolarHBondContact O-CG 3.42Å; F73-R77 PolarHBondContact O-N 3.42Å; F73-W109 HydrophobicContact CB-CH2 3.37Å; F73-W109 HydrophobicContact CB-CZ2 3.94Å; F73-W109 HydrophobicContact CB-CZ3 4.06Å; F73-W109 HydrophobicContact CG-CH2 4.44Å |
| 74 | G | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F70 I72 R77 T78 | F70-G74 PolarHBondContact O-N 2.99Å; I72-G74 PolarHBondContact O-N 3.24Å; G74-R77 PolarHBondContact O-N 3.42Å; G74-T78 VanDerWaalsContact O-CB 3.31Å; G74-T78 WeakPolarHBondContact O-CB 3.5Å; G74-T78 WeakPolarHBondContact O-CG2 3.34Å; G74-T78 PolarHBondContact O-N 3.43Å; G74-T78 PolarHBondContact O-OG1 3.09Å |
| 75 | A | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 41 Ų | 41 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S71 I72 F73 G79 L169 | S71-A75 WeakPolarHBondContact O-CB 3.39Å; S71-A75 PolarHBondContact O-N 2.91Å; I72-A75 PolarHBondContact O-N 2.96Å; F73-A75 VanDerWaalsContact C-N 3.35Å; F73-A75 PolarHBondContact O-N 2.82Å; A75-G79 VanDerWaalsContact O-CA 3.23Å; A75-G79 WeakPolarHBondContact O-CA 3.37Å; A75-G79 PolarHBondContact O-N 3.44Å; A75-L169 HydrophobicContact CB-CB 4.38Å |
| 76 | V | 96.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.7 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I72 F73 S80 | I72-V76 WeakPolarHBondContact O-CG2 3.4Å; I72-V76 PolarHBondContact O-N 3.4Å; F73-V76 PolarHBondContact O-N 2.92Å; V76-S80 VanDerWaalsContact O-CB 3.26Å; V76-S80 WeakPolarHBondContact O-CB 3Å; V76-S80 PolarHBondContact O-N 3.19Å; V76-S80 PolarHBondContact O-OG 2.73Å |
| 77 | R | 94.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.5 | -52.9 | -176.6 | -62.4 | -64 | -69.8 | 170.4 | 4.1 | 111.6 | A4 Q6 E11 F73 G74 S80 Y81 V105 W109 | A4-R77 PolarHBondContact O-NH1 3.37Å; Q6-R77 PolarHBondContact O-NH1 3.26Å; Q6-R77 VanDerWaalsContact O-NH1 3.07Å; Q6-R77 PolarHBondContact O-NH2 2.92Å; E11-R77 IonicContact OE1-CZ 3.5Å; E11-R77 IonicContact OE1-NE 2.9Å; E11-R77 PolarHBondContact OE1-NE 2.78Å; E11-R77 IonicContact OE1-NH2 2.99Å; E11-R77 PolarHBondContact OE1-NH2 3.5Å; E11-R77 IonicContact OE2-CZ 3.47Å; E11-R77 IonicContact OE2-NE 3.86Å; E11-R77 IonicContact OE2-NH2 3.78Å; E11-R77 PolarHBondContact OE2-NH2 3.42Å; F73-R77 WeakPolarHBondContact O-CB 3.5Å; F73-R77 VanDerWaalsContact O-CG 3.22Å; F73-R77 WeakPolarHBondContact O-CG 3.42Å; F73-R77 PolarHBondContact O-N 3.42Å; G74-R77 PolarHBondContact O-N 3.42Å; R77-S80 PolarHBondContact O-N 2.89Å; R77-Y81 PolarHBondContact O-N 3.06Å; R77-Y81 VanDerWaalsContact O-N 3.17Å; R77-V105 HydrophobicContact CB-CG1 3.91Å; R77-W109 HydrophobicContact CB-CD2 4.43Å; R77-W109 HydrophobicContact CB-CG 4.27Å; R77-W109 HydrophobicContact CG-CZ2 4.01Å |
| 78 | T | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 179.4 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | G74 Y81 M82 F100 W109 T165 Y168 | G74-T78 VanDerWaalsContact O-CB 3.31Å; G74-T78 WeakPolarHBondContact O-CB 3.5Å; G74-T78 WeakPolarHBondContact O-CG2 3.34Å; G74-T78 PolarHBondContact O-N 3.43Å; G74-T78 PolarHBondContact O-OG1 3.09Å; T78-Y81 PolarHBondContact O-N 3.36Å; T78-M82 WeakPolarHBondContact O-CB 3.43Å; T78-M82 VanDerWaalsContact O-CG 3.28Å; T78-M82 WeakPolarHBondContact O-CG 3.3Å; T78-M82 PolarHBondContact O-N 3.17Å; T78-F100 HydrophobicContact CG2-CE2 4.15Å; T78-F100 HydrophobicContact CG2-CZ 3.67Å; T78-W109 HydrophobicContact CG2-CB 3.56Å; T78-W109 HydrophobicContact CG2-CG 4.25Å; T78-T165 WeakPolarHBondContact CB-OG1 3.43Å; T78-T165 PolarHBondContact OG1-OG1 3.33Å; T78-Y168 HydrophobicContact CG2-CD2 4.21Å; T78-Y168 HydrophobicContact CG2-CE2 4.15Å |
| 79 | G | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A75 Y81 M82 M83 | A75-G79 VanDerWaalsContact O-CA 3.23Å; A75-G79 WeakPolarHBondContact O-CA 3.37Å; A75-G79 PolarHBondContact O-N 3.44Å; G79-Y81 VanDerWaalsContact C-N 3.32Å; G79-Y81 PolarHBondContact O-N 3.44Å; G79-M82 PolarHBondContact O-N 3.46Å; G79-M83 VanDerWaalsContact O-CB 3.23Å; G79-M83 WeakPolarHBondContact O-CB 3.19Å; G79-M83 PolarHBondContact O-N 3Å |
| 80 | S | 93.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | A4 V76 R77 H84 | A4-S80 WeakPolarHBondContact CB-OG 3.49Å; V76-S80 VanDerWaalsContact O-CB 3.26Å; V76-S80 WeakPolarHBondContact O-CB 3Å; V76-S80 PolarHBondContact O-N 3.19Å; V76-S80 PolarHBondContact O-OG 2.73Å; R77-S80 PolarHBondContact O-N 2.89Å; S80-H84 WeakPolarHBondContact O-CB 3.33Å; S80-H84 PolarHBondContact O-N 3.27Å |
| 81 | Y | 93.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 176.1 | -178 | -91.9 | 0 | 0 | 0 | 112 | R77 T78 G79 M83 H84 I85 S99 F100 | R77-Y81 PolarHBondContact O-N 3.06Å; R77-Y81 VanDerWaalsContact O-N 3.17Å; T78-Y81 PolarHBondContact O-N 3.36Å; G79-Y81 VanDerWaalsContact C-N 3.32Å; G79-Y81 PolarHBondContact O-N 3.44Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 3.31Å; Y81-H84 WeakPolarHBondContact O-CB 3.25Å; Y81-H84 PolarHBondContact O-N 2.66Å; Y81-I85 HydrophobicContact CD1-CG1 4.27Å; Y81-I85 HydrophobicContact CE1-CG1 3.85Å; Y81-I85 WeakPolarHBondContact O-CG1 3.42Å; Y81-I85 PolarHBondContact O-N 2.84Å; Y81-S99 PolarHBondContact OH-O 3.48Å; Y81-S99 PolarHBondContact OH-OG 3.28Å; Y81-F100 AromaticContact CD1-CD2 3.8Å; Y81-F100 HydrophobicContact CD1-CD2 3.8Å; Y81-F100 HydrophobicContact CD1-CE2 4.3Å; Y81-F100 HydrophobicContact CE1-CB 4.39Å; Y81-F100 AromaticContact CE1-CD2 3.96Å; Y81-F100 HydrophobicContact CE1-CD2 3.96Å |
| 82 | M | 94.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 179.1 | -72.8 | -57.7 | -61.8 | 0 | 0 | 112.3 | T78 G79 H84 I85 L86 S94 F100 W162 T165 | T78-M82 WeakPolarHBondContact O-CB 3.43Å; T78-M82 VanDerWaalsContact O-CG 3.28Å; T78-M82 WeakPolarHBondContact O-CG 3.3Å; T78-M82 PolarHBondContact O-N 3.17Å; G79-M82 PolarHBondContact O-N 3.46Å; M82-H84 VanDerWaalsContact C-N 3.33Å; M82-H84 PolarHBondContact O-N 2.89Å; M82-I85 PolarHBondContact O-N 3.4Å; M82-L86 VanDerWaalsContact O-CB 3.25Å; M82-L86 WeakPolarHBondContact O-CB 3.5Å; M82-L86 PolarHBondContact O-N 3.25Å; M82-S94 WeakPolarHBondContact CE-O 3.18Å; M82-F100 HydrophobicContact CG-CD2 4.19Å; M82-F100 HydrophobicContact CG-CE2 3.92Å; M82-F100 HydrophobicContact SD-CD2 3.52Å; M82-F100 VanDerWaalsContact SD-CD2 3.52Å; M82-F100 HydrophobicContact SD-CE2 3.85Å; M82-W162 HydrophobicContact CE-CD2 4Å; M82-W162 HydrophobicContact CE-CG 3.8Å; M82-T165 HydrophobicContact CG-CG2 4.29Å; M82-T165 VanDerWaalsContact CG-OG1 3.29Å; M82-T165 WeakPolarHBondContact CG-OG1 3.41Å |
| 83 | M | 93.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.5 | -173.2 | 63.4 | 72.6 | 0 | 0 | 111.1 | G79 Y81 L86 L87 | G79-M83 VanDerWaalsContact O-CB 3.23Å; G79-M83 WeakPolarHBondContact O-CB 3.19Å; G79-M83 PolarHBondContact O-N 3Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 3.31Å; M83-L86 PolarHBondContact O-N 3.2Å; M83-L87 HydrophobicContact CG-CD1 3.85Å; M83-L87 HydrophobicContact CG-CG 4.37Å; M83-L87 WeakPolarHBondContact O-CB 3.25Å; M83-L87 VanDerWaalsContact O-CG 3.27Å; M83-L87 WeakPolarHBondContact O-CG 3.22Å; M83-L87 PolarHBondContact O-N 3.04Å; M83-L87 HydrophobicContact SD-CD1 4.02Å; M83-L87 HydrophobicContact SD-CG 4.13Å |
| 84 | H | 92.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.7 | 178.8 | 67.1 | 0 | 0 | 0 | 112 | L5 S80 Y81 M82 L87 T88 | L5-H84 HydrophobicContact CD1-CB 3.75Å; S80-H84 WeakPolarHBondContact O-CB 3.33Å; S80-H84 PolarHBondContact O-N 3.27Å; Y81-H84 WeakPolarHBondContact O-CB 3.25Å; Y81-H84 PolarHBondContact O-N 2.66Å; M82-H84 VanDerWaalsContact C-N 3.33Å; M82-H84 PolarHBondContact O-N 2.89Å; H84-L87 PolarHBondContact O-N 3.16Å; H84-T88 WeakPolarHBondContact O-CB 3.35Å; H84-T88 WeakPolarHBondContact O-CG2 3.29Å; H84-T88 PolarHBondContact O-N 2.93Å; H84-T88 PolarHBondContact O-OG1 3.09Å |
| 85 | I | 92.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 178.1 | -63.4 | -62.9 | 0 | 0 | 0 | 111.2 | Y81 M82 L87 T88 K89 G90 | Y81-I85 HydrophobicContact CD1-CG1 4.27Å; Y81-I85 HydrophobicContact CE1-CG1 3.85Å; Y81-I85 WeakPolarHBondContact O-CG1 3.42Å; Y81-I85 PolarHBondContact O-N 2.84Å; M82-I85 PolarHBondContact O-N 3.4Å; I85-L87 PolarHBondContact O-N 2.93Å; I85-T88 PolarHBondContact O-N 2.97Å; I85-K89 HydrophobicContact CD1-CD 4.28Å; I85-K89 HydrophobicContact CG2-CB 4.45Å; I85-K89 HydrophobicContact CG2-CD 4.47Å; I85-K89 WeakPolarHBondContact O-CA 3.32Å; I85-K89 WeakPolarHBondContact O-CB 3.15Å; I85-K89 PolarHBondContact O-N 3.33Å; I85-G90 PolarHBondContact O-N 2.82Å |
| 86 | L | 94.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.2 | 179.1 | 61.9 | 0 | 0 | 0 | 112.1 | M82 M83 G90 L91 W162 | M82-L86 VanDerWaalsContact O-CB 3.25Å; M82-L86 WeakPolarHBondContact O-CB 3.5Å; M82-L86 PolarHBondContact O-N 3.25Å; M83-L86 PolarHBondContact O-N 3.2Å; L86-G90 WeakPolarHBondContact O-CA 3.27Å; L86-G90 PolarHBondContact O-N 3.39Å; L86-G90 VanDerWaalsContact O-N 3.11Å; L86-L91 HydrophobicContact CD1-CB 3.98Å; L86-L91 HydrophobicContact CD1-CD1 3.79Å; L86-W162 HydrophobicContact CD1-CZ2 4.38Å; L86-W162 HydrophobicContact CD2-CH2 4.03Å; L86-W162 HydrophobicContact CD2-CZ2 4.06Å |
| 87 | L | 93.9 | Very high | 93 | Very high | 135 Ų | 135 | 46.6 Ų | 46.6 | 71% | 0.707 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -75.6 | -30 | -177.9 | -68.3 | 174.8 | 0 | 0 | 0 | 113.4 | M83 H84 I85 | M83-L87 HydrophobicContact CG-CD1 3.85Å; M83-L87 HydrophobicContact CG-CG 4.37Å; M83-L87 WeakPolarHBondContact O-CB 3.25Å; M83-L87 VanDerWaalsContact O-CG 3.27Å; M83-L87 WeakPolarHBondContact O-CG 3.22Å; M83-L87 PolarHBondContact O-N 3.04Å; M83-L87 HydrophobicContact SD-CD1 4.02Å; M83-L87 HydrophobicContact SD-CG 4.13Å; H84-L87 PolarHBondContact O-N 3.16Å; I85-L87 PolarHBondContact O-N 2.93Å |
| 88 | T | 92.3 | Very high | 92.8 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -95.6 | -36.1 | -175.5 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | H84 I85 | H84-T88 WeakPolarHBondContact O-CB 3.35Å; H84-T88 WeakPolarHBondContact O-CG2 3.29Å; H84-T88 PolarHBondContact O-N 2.93Å; H84-T88 PolarHBondContact O-OG1 3.09Å; I85-T88 PolarHBondContact O-N 2.97Å |
| 89 | K | 91.5 | Very high | 92.4 | Very high | 115 Ų | 115 | 50.9 Ų | 50.9 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -115.9 | -7.2 | -174.5 | -56.5 | -174 | -179.6 | -179.7 | 0 | 113.4 | I85 H93 | I85-K89 HydrophobicContact CD1-CD 4.28Å; I85-K89 HydrophobicContact CG2-CB 4.45Å; I85-K89 HydrophobicContact CG2-CD 4.47Å; I85-K89 WeakPolarHBondContact O-CA 3.32Å; I85-K89 WeakPolarHBondContact O-CB 3.15Å; I85-K89 PolarHBondContact O-N 3.33Å; K89-H93 HydrophobicContact CB-CB 3.66Å; K89-H93 WeakPolarHBondContact CD-CD2 3.35Å; K89-H93 VanDerWaalsContact CD-NE2 3.32Å; K89-H93 WeakPolarHBondContact CD-NE2 3.14Å; K89-H93 WeakPolarHBondContact O-CB 3.26Å |
| 90 | G | 93.7 | Very high | 92.3 | Very high | 30 Ų | 30 | 50 Ų | 50 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | 86.3 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I85 L86 S94 | I85-G90 PolarHBondContact O-N 2.82Å; L86-G90 WeakPolarHBondContact O-CA 3.27Å; L86-G90 PolarHBondContact O-N 3.39Å; L86-G90 VanDerWaalsContact O-N 3.11Å; G90-S94 PolarHBondContact O-N 2.91Å |
| 91 | L | 94 | Very high | 92.1 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | -172.1 | -177.7 | 65.7 | 0 | 0 | 0 | 112.9 | L86 H93 S94 V95 W162 L212 W216 | L86-L91 HydrophobicContact CD1-CB 3.98Å; L86-L91 HydrophobicContact CD1-CD1 3.79Å; L91-H93 VanDerWaalsContact C-N 3.31Å; L91-H93 PolarHBondContact O-N 3.13Å; L91-S94 PolarHBondContact O-N 3.2Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 3.26Å; L91-V95 HydrophobicContact CD1-CG2 4.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.37Å; L91-W162 HydrophobicContact CD1-CZ2 4.19Å; L91-L212 HydrophobicContact CD2-CD1 4.31Å; L91-W216 HydrophobicContact CD2-CH2 4.29Å; L91-W216 HydrophobicContact CG-CH2 4.1Å |
| 92 | Q | 93 | Very high | 92 | Very high | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -46.8 | -179.1 | 178.7 | 179.3 | -22.5 | 0 | 0 | 111.3 | V95 C96 W216 A221 | Q92-V95 PolarHBondContact O-N 3.27Å; Q92-C96 WeakPolarHBondContact O-CB 3.43Å; Q92-C96 PolarHBondContact O-N 2.85Å; Q92-W216 VanDerWaalsContact CA-CH2 3.49Å; Q92-W216 HydrophobicContact CB-CD2 4.26Å; Q92-W216 HydrophobicContact CB-CE3 4.42Å; Q92-W216 HydrophobicContact CB-CH2 3.94Å; Q92-W216 HydrophobicContact CB-CZ2 3.72Å; Q92-W216 HydrophobicContact CB-CZ3 4.27Å; Q92-W216 HydrophobicContact CG-CD2 3.75Å; Q92-W216 HydrophobicContact CG-CE3 4.07Å; Q92-W216 HydrophobicContact CG-CG 4.1Å; Q92-W216 HydrophobicContact CG-CH2 4.45Å; Q92-W216 HydrophobicContact CG-CZ2 4.14Å; Q92-W216 HydrophobicContact CG-CZ3 4.4Å; Q92-A221 VanDerWaalsContact NE2-CB 3.29Å; Q92-A221 PolarHBondContact NE2-O 2.92Å |
| 93 | H | 91.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.5 | -163.9 | 87.8 | 0 | 0 | 0 | 110.5 | K89 L91 V95 C96 D97 | K89-H93 HydrophobicContact CB-CB 3.66Å; K89-H93 WeakPolarHBondContact CD-CD2 3.35Å; K89-H93 VanDerWaalsContact CD-NE2 3.32Å; K89-H93 WeakPolarHBondContact CD-NE2 3.14Å; K89-H93 WeakPolarHBondContact O-CB 3.26Å; L91-H93 VanDerWaalsContact C-N 3.31Å; L91-H93 PolarHBondContact O-N 3.13Å; H93-V95 PolarHBondContact O-N 3.06Å; H93-V95 VanDerWaalsContact O-N 3.1Å; H93-C96 PolarHBondContact O-N 2.72Å; H93-D97 IonicContact CD2-OD2 3.7Å; H93-D97 PolarHBondContact CD2-OD2 3.34Å; H93-D97 IonicContact CE1-OD2 3.34Å; H93-D97 IonicContact NE2-OD1 2.91Å; H93-D97 IonicContact NE2-OD2 2.6Å; H93-D97 PolarHBondContact NE2-OD2 3.35Å; H93-D97 WeakPolarHBondContact O-CB 3.25Å; H93-D97 PolarHBondContact O-N 3.46Å |
| 94 | S | 94 | Very high | 91.2 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -28.7 | 178.5 | 80.3 | 0 | 0 | 0 | 0 | 114.5 | M82 G90 L91 W162 | M82-S94 WeakPolarHBondContact CE-O 3.18Å; G90-S94 PolarHBondContact O-N 2.91Å; L91-S94 PolarHBondContact O-N 3.2Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 3.26Å; S94-W162 PolarHBondContact OG-NE1 3.29Å; S94-W162 VanDerWaalsContact OG-NE1 3.07Å |
| 95 | V | 94.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -87.7 | -42.9 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L91 Q92 H93 G159 V209 V213 W216 | L91-V95 HydrophobicContact CD1-CG2 4.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.37Å; Q92-V95 PolarHBondContact O-N 3.27Å; H93-V95 PolarHBondContact O-N 3.06Å; H93-V95 VanDerWaalsContact O-N 3.1Å; V95-G159 WeakPolarHBondContact O-CA 3.12Å; V95-G159 PolarHBondContact O-N 3.48Å; V95-V209 HydrophobicContact CG1-CG1 4.29Å; V95-V213 HydrophobicContact CG1-CG2 3.46Å; V95-V213 VanDerWaalsContact CG1-CG2 3.46Å; V95-W216 HydrophobicContact CB-CE3 4.34Å; V95-W216 HydrophobicContact CB-CZ3 3.65Å; V95-W216 HydrophobicContact CG1-CE3 4.17Å; V95-W216 HydrophobicContact CG1-CZ3 3.79Å; V95-W216 HydrophobicContact CG2-CZ3 3.94Å |
| 96 | C | 92.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -89.2 | -14 | -173.1 | -69.3 | 0 | 0 | 0 | 0 | 114.4 | Q92 H93 Q98 C223 P224 | Q92-C96 WeakPolarHBondContact O-CB 3.43Å; Q92-C96 PolarHBondContact O-N 2.85Å; H93-C96 PolarHBondContact O-N 2.72Å; C96-Q98 PolarHBondContact O-N 3.09Å; C96-C223 VanDerWaalsContact CA-SG 3.53Å; C96-C223 HydrophobicContact CB-CB 3.83Å; C96-C223 WeakPolarHBondContact CB-SG 3.4Å; C96-C223 WeakPolarHBondContact SG-CB 3.4Å; C96-C223 CovalentContact SG-SG 2.05Å; C96-C223 PolarHBondContact SG-SG 2.84Å; C96-P224 WeakPolarHBondContact O-CD 3.43Å |
| 97 | D | 83.4 | Confident | 91.1 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | -74.9 | 124 | -173.9 | -169.6 | 11.8 | 0 | 0 | 0 | 113.1 | H93 S99 | H93-D97 IonicContact CD2-OD2 3.7Å; H93-D97 PolarHBondContact CD2-OD2 3.34Å; H93-D97 IonicContact CE1-OD2 3.34Å; H93-D97 IonicContact NE2-OD1 2.91Å; H93-D97 IonicContact NE2-OD2 2.6Å; H93-D97 PolarHBondContact NE2-OD2 3.35Å; H93-D97 WeakPolarHBondContact O-CB 3.25Å; H93-D97 PolarHBondContact O-N 3.46Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 3.08Å; D97-S99 PolarHBondContact OD1-OG 3.34Å; D97-S99 WeakPolarHBondContact OD2-CB 3.45Å; D97-S99 PolarHBondContact OD2-OG 2.89Å | ||
| 98 | Q | 89.4 | Confident | 91.2 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 29% | 0.29 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.1 | 172.4 | -61.3 | -174.7 | -67.7 | 0 | 0 | 112.4 | C96 F100 Y101 D155 M156 P224 | C96-Q98 PolarHBondContact O-N 3.09Å; Q98-F100 PolarHBondContact O-N 3.44Å; Q98-Y101 HydrophobicContact CB-CD2 4.47Å; Q98-Y101 WeakPolarHBondContact O-CD2 3.44Å; Q98-Y101 PolarHBondContact O-N 3.19Å; Q98-D155 PolarHBondContact NE2-O 2.97Å; Q98-M156 WeakPolarHBondContact CG-O 3.24Å; Q98-M156 PolarHBondContact NE2-O 2.9Å; Q98-P224 HydrophobicContact CG-CB 4.34Å; Q98-P224 HydrophobicContact CG-CG 3.44Å; Q98-P224 VanDerWaalsContact CG-CG 3.44Å |
| 99 | S | 87.9 | Confident | 91.4 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -15.7 | 178.3 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | Y81 D97 Y101 N102 G103 | Y81-S99 PolarHBondContact OH-O 3.48Å; Y81-S99 PolarHBondContact OH-OG 3.28Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 3.08Å; D97-S99 PolarHBondContact OD1-OG 3.34Å; D97-S99 WeakPolarHBondContact OD2-CB 3.45Å; D97-S99 PolarHBondContact OD2-OG 2.89Å; S99-Y101 PolarHBondContact O-N 3.08Å; S99-N102 CarbonylContact O-C 3.51Å; S99-N102 PolarHBondContact O-N 3.26Å; S99-G103 WeakPolarHBondContact O-CA 3.25Å; S99-G103 PolarHBondContact O-N 3.05Å |
| 100 | F | 91.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -34.2 | 169.3 | -172.5 | -90.9 | 0 | 0 | 0 | 113 | T78 Y81 M82 Q98 S106 A110 G161 M164 | T78-F100 HydrophobicContact CG2-CE2 4.15Å; T78-F100 HydrophobicContact CG2-CZ 3.67Å; Y81-F100 AromaticContact CD1-CD2 3.8Å; Y81-F100 HydrophobicContact CD1-CD2 3.8Å; Y81-F100 HydrophobicContact CD1-CE2 4.3Å; Y81-F100 HydrophobicContact CE1-CB 4.39Å; Y81-F100 AromaticContact CE1-CD2 3.96Å; Y81-F100 HydrophobicContact CE1-CD2 3.96Å; M82-F100 HydrophobicContact CG-CD2 4.19Å; M82-F100 HydrophobicContact CG-CE2 3.92Å; M82-F100 HydrophobicContact SD-CD2 3.52Å; M82-F100 VanDerWaalsContact SD-CD2 3.52Å; M82-F100 HydrophobicContact SD-CE2 3.85Å; Q98-F100 PolarHBondContact O-N 3.44Å; F100-S106 CarbonylContact O-C 3.54Å; F100-S106 WeakPolarHBondContact O-CB 3.31Å; F100-S106 PolarHBondContact O-OG 3.33Å; F100-A110 HydrophobicContact CD1-CB 4.03Å; F100-A110 HydrophobicContact CE1-CB 3.72Å; F100-G161 VanDerWaalsContact CG-CA 3.46Å; F100-M164 HydrophobicContact CD1-CE 3.52Å; F100-M164 HydrophobicContact CE1-CB 4.23Å; F100-M164 HydrophobicContact CE1-CE 3.34Å; F100-M164 HydrophobicContact CE1-SD 3.85Å; F100-M164 HydrophobicContact CZ-CB 4.32Å; F100-M164 HydrophobicContact CZ-CE 4.48Å |
| 101 | Y | 91.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78.8 | -25.3 | -178.8 | -62.3 | -85.7 | 0 | 0 | 0 | 113.1 | Q98 S99 K107 A110 Y153 M156 V157 G160 M164 | Q98-Y101 HydrophobicContact CB-CD2 4.47Å; Q98-Y101 WeakPolarHBondContact O-CD2 3.44Å; Q98-Y101 PolarHBondContact O-N 3.19Å; S99-Y101 PolarHBondContact O-N 3.08Å; Y101-K107 VanDerWaalsContact O-CA 3.28Å; Y101-K107 WeakPolarHBondContact O-CA 3.28Å; Y101-K107 WeakPolarHBondContact O-CB 3.48Å; Y101-A110 HydrophobicContact CD1-CB 4.25Å; Y101-Y153 AromaticContact CD1-CD2 3.77Å; Y101-Y153 HydrophobicContact CD1-CD2 3.77Å; Y101-Y153 AromaticContact CD1-CE2 3.59Å; Y101-Y153 HydrophobicContact CD1-CE2 3.59Å; Y101-Y153 AromaticContact CE1-CD2 3.6Å; Y101-Y153 HydrophobicContact CE1-CD2 3.6Å; Y101-Y153 AromaticContact CE1-CE2 3.93Å; Y101-Y153 HydrophobicContact CE1-CE2 3.93Å; Y101-Y153 HydrophobicContact CE1-CG 4.31Å; Y101-M156 HydrophobicContact CD1-CB 4.41Å; Y101-M156 HydrophobicContact CD1-CG 4.14Å; Y101-M156 HydrophobicContact CD2-CB 3.64Å; Y101-M156 HydrophobicContact CD2-CG 4.08Å; Y101-M156 HydrophobicContact CE2-CB 3.82Å; Y101-M156 WeakPolarHBondContact CE2-O 3.33Å; Y101-M156 HydrophobicContact CG-CB 3.95Å; Y101-M156 HydrophobicContact CG-CG 3.84Å; Y101-M156 HydrophobicContact CG-SD 4.41Å; Y101-V157 PolarHBondContact OH-O 3.23Å; Y101-G160 WeakPolarHBondContact OH-CA 3.3Å; Y101-M164 HydrophobicContact CD1-CE 4.27Å; Y101-M164 HydrophobicContact CE1-CE 3.51Å |
| 102 | N | 90.2 | Very high | 92 | Very high | 69 Ų | 69 | 27.8 Ų | 27.8 | 37% | 0.369 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -119.3 | 9.2 | -175.8 | -55 | -15.9 | 0 | 0 | 0 | 112.3 | E16 I20 S99 | E16-N102 HydrophobicContact CG-CB 4.27Å; I20-N102 VanDerWaalsContact CD1-OD1 3.3Å; I20-N102 WeakPolarHBondContact CD1-OD1 3.49Å; S99-N102 CarbonylContact O-C 3.51Å; S99-N102 PolarHBondContact O-N 3.26Å |
| 103 | G | 86.8 | Confident | 92.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -74.8 | 147.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S99 V105 S106 K107 | S99-G103 WeakPolarHBondContact O-CA 3.25Å; S99-G103 PolarHBondContact O-N 3.05Å; G103-V105 PolarHBondContact O-N 3.46Å; G103-V105 VanDerWaalsContact O-N 3.12Å; G103-S106 PolarHBondContact O-N 3.49Å; G103-K107 VanDerWaalsContact O-CB 3.28Å; G103-K107 WeakPolarHBondContact O-CB 3.47Å; G103-K107 WeakPolarHBondContact O-CG 3.43Å; G103-K107 PolarHBondContact O-N 2.99Å | ||
| 104 | P | 85.5 | Confident | 92.4 | Very high | 58 Ų | 58 | 21.6 Ų | 21.6 | 38% | 0.377 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -43 | -171.9 | 17.3 | -30.9 | 0 | 0 | 0 | 112.8 | E7 | E7-P104 HydrophobicContact CG-CB 3.69Å; E7-P104 WeakPolarHBondContact OE1-CB 3.42Å |
| 105 | V | 89.3 | Confident | 92.5 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -44 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | L5 E7 R77 G103 W109 | L5-V105 WeakPolarHBondContact O-CG2 3.39Å; E7-V105 HydrophobicContact CG-CG2 4.25Å; R77-V105 HydrophobicContact CB-CG1 3.91Å; G103-V105 PolarHBondContact O-N 3.46Å; G103-V105 VanDerWaalsContact O-N 3.12Å; V105-W109 VanDerWaalsContact O-CD1 3.25Å |
| 106 | S | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -79.1 | -23.6 | -165.7 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | F100 G103 F108 W109 A110 | F100-S106 CarbonylContact O-C 3.54Å; F100-S106 WeakPolarHBondContact O-CB 3.31Å; F100-S106 PolarHBondContact O-OG 3.33Å; G103-S106 PolarHBondContact O-N 3.49Å; S106-F108 PolarHBondContact O-N 3.23Å; S106-W109 PolarHBondContact O-N 2.58Å; S106-W109 VanDerWaalsContact O-N 3.16Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.01Å |
| 107 | K | 93.8 | Very high | 92.8 | Very high | 19 Ų | 19 | 24 Ų | 24 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.7 | -49.2 | -172.7 | 62.1 | -174.5 | -172.5 | 164.7 | 0 | 114.5 | E11 F14 E16 Y101 G103 A110 Y111 | E11-K107 WeakPolarHBondContact O-CE 3.44Å; F14-K107 HydrophobicContact CD1-CB 4.33Å; F14-K107 HydrophobicContact CD1-CD 4.31Å; F14-K107 HydrophobicContact CD1-CG 3.93Å; F14-K107 WeakPolarHBondContact O-CE 3.37Å; F14-K107 PolarHBondContact O-NZ 3.01Å; E16-K107 HydrophobicContact CB-CB 4.23Å; E16-K107 HydrophobicContact CB-CD 4.26Å; E16-K107 HydrophobicContact CG-CD 4.42Å; E16-K107 IonicContact OE1-NZ 3.29Å; E16-K107 WeakPolarHBondContact OE2-CD 3.31Å; E16-K107 IonicContact OE2-NZ 3.74Å; E16-K107 PolarHBondContact OE2-NZ 2.9Å; Y101-K107 VanDerWaalsContact O-CA 3.28Å; Y101-K107 WeakPolarHBondContact O-CA 3.28Å; Y101-K107 WeakPolarHBondContact O-CB 3.48Å; G103-K107 VanDerWaalsContact O-CB 3.28Å; G103-K107 WeakPolarHBondContact O-CB 3.47Å; G103-K107 WeakPolarHBondContact O-CG 3.43Å; G103-K107 PolarHBondContact O-N 2.99Å; K107-A110 PolarHBondContact O-N 3.19Å; K107-Y111 PolarHBondContact O-N 3.4Å |
| 108 | F | 95.6 | Very high | 93.4 | Very high | 56 Ų | 56 | 23.3 Ų | 23.3 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 177 | 170.1 | -93.2 | 0 | 0 | 0 | 110.9 | F10 E11 F14 S106 A110 Y111 A112 | F10-F108 HydrophobicContact CD2-CD1 4.18Å; F10-F108 HydrophobicContact CD2-CD2 4.2Å; F10-F108 HydrophobicContact CD2-CE1 4.2Å; F10-F108 HydrophobicContact CD2-CE2 4.22Å; F10-F108 HydrophobicContact CD2-CG 4.18Å; F10-F108 HydrophobicContact CD2-CZ 4.22Å; F10-F108 AromaticContact CE2-CD1 3.59Å; F10-F108 HydrophobicContact CE2-CD1 3.59Å; F10-F108 HydrophobicContact CE2-CD2 4.42Å; F10-F108 AromaticContact CE2-CE1 3.61Å; F10-F108 HydrophobicContact CE2-CE1 3.61Å; F10-F108 HydrophobicContact CE2-CE2 4.44Å; F10-F108 HydrophobicContact CE2-CG 4.02Å; F10-F108 HydrophobicContact CE2-CZ 4.05Å; E11-F108 HydrophobicContact CG-CB 4.41Å; F14-F108 HydrophobicContact CB-CB 4.29Å; F14-F108 HydrophobicContact CD1-CB 4.21Å; F14-F108 HydrophobicContact CD2-CB 4.48Å; F14-F108 AromaticContact CD2-CD2 3.74Å; F14-F108 HydrophobicContact CD2-CD2 3.74Å; F14-F108 HydrophobicContact CE2-CD2 4.15Å; F14-F108 HydrophobicContact CG-CB 4.07Å; F14-F108 HydrophobicContact CG-CD2 4.13Å; S106-F108 PolarHBondContact O-N 3.23Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.04Å; F108-Y111 PolarHBondContact O-N 3.47Å; F108-A112 HydrophobicContact CE1-CB 4.22Å; F108-A112 HydrophobicContact CZ-CB 4.38Å; F108-A112 WeakPolarHBondContact O-CB 3.38Å; F108-A112 PolarHBondContact O-N 3.01Å |
| 109 | W | 96.7 | Very high | 93.7 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 6% | 0.057 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.5 | -31.1 | -177 | -67.3 | 102.7 | 0 | 0 | 0 | 113.1 | F10 E11 F70 F73 R77 T78 V105 S106 F113 Y168 | F10-W109 HydrophobicContact CZ-CZ2 4.35Å; E11-W109 PolarHBondContact OE1-NE1 3.23Å; F70-W109 HydrophobicContact CD2-CZ3 4.12Å; F70-W109 HydrophobicContact CE2-CE3 4.41Å; F70-W109 HydrophobicContact CE2-CZ3 4.02Å; F73-W109 HydrophobicContact CB-CH2 3.37Å; F73-W109 HydrophobicContact CB-CZ2 3.94Å; F73-W109 HydrophobicContact CB-CZ3 4.06Å; F73-W109 HydrophobicContact CG-CH2 4.44Å; R77-W109 HydrophobicContact CB-CD2 4.43Å; R77-W109 HydrophobicContact CB-CG 4.27Å; R77-W109 HydrophobicContact CG-CZ2 4.01Å; T78-W109 HydrophobicContact CG2-CB 3.56Å; T78-W109 HydrophobicContact CG2-CG 4.25Å; V105-W109 VanDerWaalsContact O-CD1 3.25Å; S106-W109 PolarHBondContact O-N 2.58Å; S106-W109 VanDerWaalsContact O-N 3.16Å; W109-F113 VanDerWaalsContact O-CB 3.26Å; W109-F113 WeakPolarHBondContact O-CB 3.47Å; W109-F113 PolarHBondContact O-N 2.85Å; W109-Y168 HydrophobicContact CB-CE2 4.47Å; W109-Y168 PolarHBondContact O-OH 3.45Å |
| 110 | A | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | F100 Y101 S106 K107 F108 F113 V114 Y153 M164 | F100-A110 HydrophobicContact CD1-CB 4.03Å; F100-A110 HydrophobicContact CE1-CB 3.72Å; Y101-A110 HydrophobicContact CD1-CB 4.25Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.01Å; K107-A110 PolarHBondContact O-N 3.19Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.04Å; A110-F113 WeakPolarHBondContact O-CB 3.27Å; A110-V114 PolarHBondContact O-N 3.29Å; A110-Y153 HydrophobicContact CB-CE2 3.92Å; A110-M164 HydrophobicContact CB-CE 4.2Å; A110-M164 HydrophobicContact CB-SD 3.98Å |
| 111 | Y | 96.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 23 Ų | 23 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -47.7 | 176.7 | -176.1 | -121.7 | 0 | 0 | 0 | 112 | F14 A19 W22 M23 K107 F108 F113 V114 L115 Y153 | F14-Y111 AromaticContact CE2-CD1 3.68Å; F14-Y111 HydrophobicContact CE2-CD1 3.68Å; F14-Y111 HydrophobicContact CE2-CE1 4.28Å; F14-Y111 HydrophobicContact CE2-CG 4.4Å; F14-Y111 AromaticContact CZ-CD1 3.43Å; F14-Y111 HydrophobicContact CZ-CD1 3.43Å; F14-Y111 VanDerWaalsContact CZ-CD1 3.43Å; F14-Y111 HydrophobicContact CZ-CE1 4.25Å; F14-Y111 AromaticContact CZ-CG 3.7Å; F14-Y111 HydrophobicContact CZ-CG 3.7Å; A19-Y111 HydrophobicContact CB-CD1 4.16Å; A19-Y111 HydrophobicContact CB-CD2 3.72Å; A19-Y111 HydrophobicContact CB-CE1 4.26Å; A19-Y111 HydrophobicContact CB-CE2 3.88Å; A19-Y111 HydrophobicContact CB-CG 3.86Å; W22-Y111 HydrophobicContact CE3-CE2 4.3Å; M23-Y111 HydrophobicContact CG-CD2 4.13Å; M23-Y111 HydrophobicContact CG-CE2 3.77Å; M23-Y111 HydrophobicContact SD-CE2 4.03Å; K107-Y111 PolarHBondContact O-N 3.4Å; F108-Y111 PolarHBondContact O-N 3.47Å; Y111-F113 PolarHBondContact O-N 3.21Å; Y111-V114 PolarHBondContact O-N 2.99Å; Y111-V114 VanDerWaalsContact O-N 3.14Å; Y111-L115 HydrophobicContact CD1-CD1 3.94Å; Y111-L115 HydrophobicContact CD2-CG 4.5Å; Y111-L115 HydrophobicContact CE1-CD1 3.42Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.42Å; Y111-L115 HydrophobicContact CE1-CG 4.23Å; Y111-L115 HydrophobicContact CE2-CD1 4.17Å; Y111-L115 HydrophobicContact CE2-CD2 4.31Å; Y111-L115 HydrophobicContact CE2-CG 4.17Å; Y111-L115 PolarHBondContact O-N 2.99Å; Y111-L115 VanDerWaalsContact O-N 3.1Å; Y111-Y153 HydrophobicContact CD2-CE1 4.24Å |
| 112 | A | 97.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 12% | 0.116 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F70 F108 V114 L115 S116 | F70-A112 HydrophobicContact CE2-CB 3.92Å; F70-A112 HydrophobicContact CZ-CB 3.98Å; F108-A112 HydrophobicContact CE1-CB 4.22Å; F108-A112 HydrophobicContact CZ-CB 4.38Å; F108-A112 WeakPolarHBondContact O-CB 3.38Å; F108-A112 PolarHBondContact O-N 3.01Å; A112-V114 PolarHBondContact O-N 2.89Å; A112-L115 PolarHBondContact O-N 3.28Å; A112-S116 WeakPolarHBondContact O-CB 3.47Å; A112-S116 PolarHBondContact O-N 3.35Å |
| 113 | F | 97.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.2 | 178.5 | -92.3 | 0 | 0 | 0 | 112.3 | W109 A110 Y111 S116 M164 N167 Y168 | W109-F113 VanDerWaalsContact O-CB 3.26Å; W109-F113 WeakPolarHBondContact O-CB 3.47Å; W109-F113 PolarHBondContact O-N 2.85Å; A110-F113 WeakPolarHBondContact O-CB 3.27Å; Y111-F113 PolarHBondContact O-N 3.21Å; F113-S116 PolarHBondContact O-N 2.94Å; F113-S116 PolarHBondContact O-OG 3.23Å; F113-M164 HydrophobicContact CB-CG 4.47Å; F113-M164 HydrophobicContact CB-SD 4.23Å; F113-M164 HydrophobicContact CD1-CB 4.3Å; F113-M164 HydrophobicContact CD1-CG 3.54Å; F113-M164 HydrophobicContact CD1-SD 3.97Å; F113-M164 HydrophobicContact CD2-CB 4.21Å; F113-M164 HydrophobicContact CD2-CG 4.32Å; F113-M164 HydrophobicContact CE1-CB 4.45Å; F113-M164 HydrophobicContact CE1-CG 3.73Å; F113-M164 HydrophobicContact CE2-CB 4.33Å; F113-M164 HydrophobicContact CE2-CG 4.46Å; F113-M164 HydrophobicContact CG-CB 4.17Å; F113-M164 HydrophobicContact CG-CG 3.85Å; F113-M164 HydrophobicContact CG-SD 4.2Å; F113-M164 HydrophobicContact CZ-CB 4.46Å; F113-M164 HydrophobicContact CZ-CG 4.19Å; F113-N167 HydrophobicContact CE2-CB 3.65Å; F113-N167 WeakPolarHBondContact CE2-OD1 3.41Å; F113-N167 HydrophobicContact CZ-CB 3.76Å; F113-N167 WeakPolarHBondContact CZ-OD1 3.35Å; F113-Y168 VanDerWaalsContact CA-OH 3.28Å; F113-Y168 WeakPolarHBondContact CA-OH 3.48Å; F113-Y168 HydrophobicContact CB-CE2 3.81Å; F113-Y168 WeakPolarHBondContact CB-OH 3.42Å; F113-Y168 HydrophobicContact CD2-CD1 4.32Å; F113-Y168 AromaticContact CD2-CD2 3.89Å; F113-Y168 HydrophobicContact CD2-CD2 3.89Å; F113-Y168 HydrophobicContact CD2-CE1 4.07Å; F113-Y168 AromaticContact CD2-CE2 3.6Å; F113-Y168 HydrophobicContact CD2-CE2 3.6Å; F113-Y168 HydrophobicContact CD2-CG 4.25Å; F113-Y168 AromaticContact CD2-CZ 3.71Å; F113-Y168 HydrophobicContact CG-CE2 4.14Å; F113-Y168 PolarHBondContact N-OH 3.4Å; F113-Y168 VanDerWaalsContact N-OH 3.15Å |
| 114 | V | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | -176.1 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | M23 A110 Y111 A112 S116 K117 W150 Y153 | M23-V114 HydrophobicContact CE-CG1 3.53Å; M23-V114 HydrophobicContact SD-CG1 4.28Å; A110-V114 PolarHBondContact O-N 3.29Å; Y111-V114 PolarHBondContact O-N 2.99Å; Y111-V114 VanDerWaalsContact O-N 3.14Å; A112-V114 PolarHBondContact O-N 2.89Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 3.38Å; V114-K117 PolarHBondContact O-N 3.36Å; V114-W150 HydrophobicContact CG1-CB 4.47Å; V114-W150 HydrophobicContact CG1-CG 3.91Å; V114-W150 PolarHBondContact O-NE1 3.21Å; V114-Y153 HydrophobicContact CB-CD2 4.42Å; V114-Y153 HydrophobicContact CG2-CD2 3.47Å; V114-Y153 VanDerWaalsContact CG2-CD2 3.47Å; V114-Y153 HydrophobicContact CG2-CE2 4.31Å; V114-Y153 HydrophobicContact CG2-CG 3.82Å |
| 115 | L | 96.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 22.9 Ų | 22.9 | 28% | 0.283 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.8 | -37 | 173.7 | -66.6 | -171.5 | 0 | 0 | 0 | 112.2 | W22 Y111 A112 K117 A118 P119 W150 | W22-L115 HydrophobicContact CH2-CD2 4.28Å; W22-L115 HydrophobicContact CZ3-CD2 3.91Å; Y111-L115 HydrophobicContact CD1-CD1 3.94Å; Y111-L115 HydrophobicContact CD2-CG 4.5Å; Y111-L115 HydrophobicContact CE1-CD1 3.42Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.42Å; Y111-L115 HydrophobicContact CE1-CG 4.23Å; Y111-L115 HydrophobicContact CE2-CD1 4.17Å; Y111-L115 HydrophobicContact CE2-CD2 4.31Å; Y111-L115 HydrophobicContact CE2-CG 4.17Å; Y111-L115 PolarHBondContact O-N 2.99Å; Y111-L115 VanDerWaalsContact O-N 3.1Å; A112-L115 PolarHBondContact O-N 3.28Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.11Å; L115-A118 PolarHBondContact O-N 3.17Å; L115-A118 VanDerWaalsContact O-N 3.16Å; L115-P119 WeakPolarHBondContact O-CD 3.39Å; L115-W150 HydrophobicContact CD2-CH2 4.34Å; L115-W150 HydrophobicContact CD2-CZ2 3.96Å |
| 116 | S | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -23.6 | -177.4 | 84.8 | 0 | 0 | 0 | 0 | 113.5 | F70 A112 F113 V114 A118 P119 E120 | F70-S116 VanDerWaalsContact CE1-CB 3.46Å; A112-S116 WeakPolarHBondContact O-CB 3.47Å; A112-S116 PolarHBondContact O-N 3.35Å; F113-S116 PolarHBondContact O-N 2.94Å; F113-S116 PolarHBondContact O-OG 3.23Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 3.38Å; S116-A118 PolarHBondContact O-N 3.34Å; S116-P119 VanDerWaalsContact O-CD 3.26Å; S116-P119 WeakPolarHBondContact O-CD 3.44Å; S116-E120 WeakPolarHBondContact O-CB 3.25Å; S116-E120 WeakPolarHBondContact O-CG 3.48Å; S116-E120 PolarHBondContact O-N 2.89Å; S116-E120 PolarHBondContact OG-OE1 3.03Å |
| 117 | K | 96.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -28.3 | 178.8 | -57.3 | -44.5 | 175.1 | -165.7 | 0 | 113.3 | V114 L115 E120 V145 L146 N167 | V114-K117 PolarHBondContact O-N 3.36Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.11Å; K117-E120 VanDerWaalsContact CD-OE2 3.28Å; K117-E120 WeakPolarHBondContact CD-OE2 3.31Å; K117-E120 IonicContact NZ-OE1 3.53Å; K117-E120 PolarHBondContact NZ-OE1 3.07Å; K117-E120 IonicContact NZ-OE2 3.86Å; K117-E120 PolarHBondContact NZ-OE2 3.47Å; K117-V145 HydrophobicContact CD-CG2 4.37Å; K117-L146 HydrophobicContact CB-CB 4.29Å; K117-L146 HydrophobicContact CB-CD1 3.7Å; K117-N167 PolarHBondContact NZ-OD1 2.81Å |
| 118 | A | 95.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.3 | -49.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F33 L115 S116 E120 L121 L146 | F33-A118 HydrophobicContact CD2-CB 4.4Å; L115-A118 PolarHBondContact O-N 3.17Å; L115-A118 VanDerWaalsContact O-N 3.16Å; S116-A118 PolarHBondContact O-N 3.34Å; A118-E120 VanDerWaalsContact C-N 3.31Å; A118-E120 PolarHBondContact O-N 3.37Å; A118-L121 VanDerWaalsContact O-CB 3.22Å; A118-L121 WeakPolarHBondContact O-CB 3.39Å; A118-L121 VanDerWaalsContact O-CG 3.25Å; A118-L121 WeakPolarHBondContact O-CG 3.49Å; A118-L121 PolarHBondContact O-N 2.92Å; A118-L146 HydrophobicContact CB-CD1 4.23Å |
| 119 | P | 95.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 24.3 Ų | 24.3 | 44% | 0.435 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -55.1 | -40.7 | 169.5 | -29.6 | 35.8 | 0 | 0 | 0 | 114 | W63 L115 S116 L121 G122 | W63-P119 HydrophobicContact CH2-CB 4.1Å; W63-P119 VanDerWaalsContact CH2-O 3.25Å; W63-P119 WeakPolarHBondContact CH2-O 3.47Å; W63-P119 WeakPolarHBondContact CZ2-O 3.47Å; L115-P119 WeakPolarHBondContact O-CD 3.39Å; S116-P119 VanDerWaalsContact O-CD 3.26Å; S116-P119 WeakPolarHBondContact O-CD 3.44Å; P119-L121 PolarHBondContact O-N 3.45Å; P119-G122 PolarHBondContact O-N 2.9Å |
| 120 | E | 94.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.7 | -22.5 | 178.9 | -75.8 | 170 | -146.6 | 0 | 0 | 113.2 | S116 K117 A118 G122 D123 H171 | S116-E120 WeakPolarHBondContact O-CB 3.25Å; S116-E120 WeakPolarHBondContact O-CG 3.48Å; S116-E120 PolarHBondContact O-N 2.89Å; S116-E120 PolarHBondContact OG-OE1 3.03Å; K117-E120 VanDerWaalsContact CD-OE2 3.28Å; K117-E120 WeakPolarHBondContact CD-OE2 3.31Å; K117-E120 IonicContact NZ-OE1 3.53Å; K117-E120 PolarHBondContact NZ-OE1 3.07Å; K117-E120 IonicContact NZ-OE2 3.86Å; K117-E120 PolarHBondContact NZ-OE2 3.47Å; A118-E120 VanDerWaalsContact C-N 3.31Å; A118-E120 PolarHBondContact O-N 3.37Å; E120-G122 PolarHBondContact O-N 3.41Å; E120-G122 VanDerWaalsContact O-N 3.13Å; E120-D123 WeakPolarHBondContact O-CB 3.25Å; E120-D123 PolarHBondContact O-N 3.28Å; E120-D123 VanDerWaalsContact O-N 3.08Å; E120-H171 IonicContact OE1-ND1 2.76Å; E120-H171 IonicContact OE2-CE1 3.76Å; E120-H171 PolarHBondContact OE2-CE1 3.35Å; E120-H171 VanDerWaalsContact OE2-CE1 3.29Å; E120-H171 IonicContact OE2-ND1 3.35Å |
| 121 | L | 93.4 | Very high | 94 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 12% | 0.12 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.2 | 170.8 | -59.7 | -178.8 | 0 | 0 | 0 | 113.3 | Y37 A118 P119 D123 T124 H142 L146 | Y37-L121 HydrophobicContact CD1-CD2 4.37Å; Y37-L121 HydrophobicContact CD2-CB 3.72Å; Y37-L121 HydrophobicContact CD2-CD1 4.12Å; Y37-L121 HydrophobicContact CD2-CD2 3.78Å; Y37-L121 HydrophobicContact CD2-CG 4.06Å; Y37-L121 HydrophobicContact CE1-CD2 4.45Å; Y37-L121 HydrophobicContact CE2-CB 3.95Å; Y37-L121 HydrophobicContact CE2-CD2 3.83Å; Y37-L121 HydrophobicContact CE2-CG 4.41Å; Y37-L121 HydrophobicContact CG-CD1 4.19Å; Y37-L121 HydrophobicContact CG-CD2 4.03Å; Y37-L121 HydrophobicContact CG-CG 4.48Å; A118-L121 VanDerWaalsContact O-CB 3.22Å; A118-L121 WeakPolarHBondContact O-CB 3.39Å; A118-L121 VanDerWaalsContact O-CG 3.25Å; A118-L121 WeakPolarHBondContact O-CG 3.49Å; A118-L121 PolarHBondContact O-N 2.92Å; P119-L121 PolarHBondContact O-N 3.45Å; L121-D123 PolarHBondContact O-N 3.06Å; L121-T124 PolarHBondContact O-N 3.33Å; L121-H142 HydrophobicContact CD2-CB 3.83Å; L121-L146 HydrophobicContact CD1-CD2 3.72Å; L121-L146 HydrophobicContact CD2-CD2 4.37Å; L121-L146 HydrophobicContact CG-CD2 4.33Å |
| 122 | G | 93.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 28.4 Ų | 28.4 | 19% | 0.186 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -25.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P119 E120 T124 L125 F126 | P119-G122 PolarHBondContact O-N 2.9Å; E120-G122 PolarHBondContact O-N 3.41Å; E120-G122 VanDerWaalsContact O-N 3.13Å; G122-T124 PolarHBondContact O-N 3.37Å; G122-L125 WeakPolarHBondContact O-CB 3.25Å; G122-L125 PolarHBondContact O-N 2.96Å; G122-F126 VanDerWaalsContact O-CD2 3.25Å; G122-F126 WeakPolarHBondContact O-CD2 3.32Å; G122-F126 PolarHBondContact O-N 3.16Å |
| 123 | D | 91.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -41.7 | 175.5 | -71.9 | -17.3 | 0 | 0 | 0 | 111.3 | W63 E120 L121 L125 F126 I127 H142 Y175 | W63-D123 PolarHBondContact NE1-OD1 2.83Å; E120-D123 WeakPolarHBondContact O-CB 3.25Å; E120-D123 PolarHBondContact O-N 3.28Å; E120-D123 VanDerWaalsContact O-N 3.08Å; L121-D123 PolarHBondContact O-N 3.06Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.26Å; D123-F126 PolarHBondContact O-N 3.08Å; D123-I127 WeakPolarHBondContact O-CG1 3.2Å; D123-I127 PolarHBondContact O-N 3.44Å; D123-H142 IonicContact OD2-CE1 3.92Å; D123-Y175 WeakPolarHBondContact OD2-CE1 3.07Å; D123-Y175 PolarHBondContact OD2-OH 3.48Å |
| 124 | T | 93.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.5 | -33.2 | 178.8 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | Y37 I41 L121 G122 F126 I127 V128 L134 H138 | Y37-T124 HydrophobicContact CE2-CG2 3.93Å; Y37-T124 WeakPolarHBondContact CE2-OG1 3.42Å; Y37-T124 WeakPolarHBondContact OH-CB 3.39Å; Y37-T124 WeakPolarHBondContact OH-CG2 3.43Å; Y37-T124 PolarHBondContact OH-OG1 3.44Å; I41-T124 HydrophobicContact CD1-CG2 3.97Å; I41-T124 HydrophobicContact CG1-CG2 3.77Å; L121-T124 PolarHBondContact O-N 3.33Å; G122-T124 PolarHBondContact O-N 3.37Å; T124-F126 VanDerWaalsContact C-N 3.32Å; T124-F126 PolarHBondContact O-N 3.16Å; T124-I127 WeakPolarHBondContact O-CB 3.46Å; T124-I127 PolarHBondContact O-N 2.93Å; T124-I127 VanDerWaalsContact O-N 3.14Å; T124-V128 HydrophobicContact CG2-CG2 4.35Å; T124-V128 WeakPolarHBondContact O-CG2 3.2Å; T124-V128 PolarHBondContact O-N 3.43Å; T124-L134 HydrophobicContact CG2-CD1 3.77Å; T124-L134 HydrophobicContact CG2-CD2 3.84Å; T124-L134 HydrophobicContact CG2-CG 4.47Å; T124-H138 PolarHBondContact OG1-CD2 3.14Å; T124-H138 VanDerWaalsContact OG1-CD2 3.29Å; T124-H138 PolarHBondContact OG1-NE2 3.16Å |
| 125 | L | 93.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | 175.5 | -177.5 | 63.1 | 0 | 0 | 0 | 110.4 | G122 D123 I127 V128 L129 | G122-L125 WeakPolarHBondContact O-CB 3.25Å; G122-L125 PolarHBondContact O-N 2.96Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.26Å; L125-I127 VanDerWaalsContact C-N 3.3Å; L125-I127 PolarHBondContact O-N 3.37Å; L125-V128 PolarHBondContact O-N 3.39Å; L125-L129 HydrophobicContact CD1-CD1 3.87Å; L125-L129 HydrophobicContact CD1-CD2 4.45Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CD2-CD1 4.39Å; L125-L129 HydrophobicContact CG-CD1 3.76Å; L125-L129 HydrophobicContact CG-CG 4.2Å; L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 VanDerWaalsContact O-CG 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.25Å |
| 126 | F | 91.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.6 | -73.5 | -71.8 | 0 | 0 | 0 | 112.6 | L56 P59 L60 W63 G122 D123 T124 R130 | L56-F126 HydrophobicContact CB-CD1 4.04Å; L56-F126 HydrophobicContact CB-CE1 4.17Å; L56-F126 HydrophobicContact CD1-CD1 4Å; L56-F126 HydrophobicContact CD1-CE1 4.35Å; P59-F126 HydrophobicContact CB-CE1 3.97Å; P59-F126 HydrophobicContact CB-CZ 4.29Å; L60-F126 HydrophobicContact CB-CD1 4.24Å; L60-F126 HydrophobicContact CB-CE1 4.32Å; L60-F126 HydrophobicContact CD1-CB 4.08Å; L60-F126 HydrophobicContact CD1-CD1 4.22Å; L60-F126 HydrophobicContact CD1-CD2 4Å; L60-F126 HydrophobicContact CD1-CG 3.84Å; W63-F126 HydrophobicContact CB-CE2 3.91Å; W63-F126 HydrophobicContact CB-CZ 4.09Å; W63-F126 AromaticContact CD1-CE2 3.74Å; W63-F126 AromaticContact CD2-CE2 3.88Å; W63-F126 HydrophobicContact CD2-CE2 3.88Å; W63-F126 HydrophobicContact CG-CD2 4.37Å; W63-F126 AromaticContact CG-CE2 3.55Å; W63-F126 HydrophobicContact CG-CE2 3.55Å; W63-F126 HydrophobicContact CG-CZ 4.21Å; G122-F126 VanDerWaalsContact O-CD2 3.25Å; G122-F126 WeakPolarHBondContact O-CD2 3.32Å; G122-F126 PolarHBondContact O-N 3.16Å; D123-F126 PolarHBondContact O-N 3.08Å; T124-F126 VanDerWaalsContact C-N 3.32Å; T124-F126 PolarHBondContact O-N 3.16Å; F126-R130 VanDerWaalsContact O-CB 3.23Å; F126-R130 WeakPolarHBondContact O-CB 3.21Å; F126-R130 VanDerWaalsContact O-CD 3.26Å; F126-R130 WeakPolarHBondContact O-CD 3.2Å; F126-R130 WeakPolarHBondContact O-CG 3.28Å; F126-R130 PolarHBondContact O-N 2.9Å |
| 127 | I | 90.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 176.3 | -66 | 170.7 | 0 | 0 | 0 | 110.8 | D123 T124 L125 R130 K131 Q132 L134 T269 | D123-I127 WeakPolarHBondContact O-CG1 3.2Å; D123-I127 PolarHBondContact O-N 3.44Å; T124-I127 WeakPolarHBondContact O-CB 3.46Å; T124-I127 PolarHBondContact O-N 2.93Å; T124-I127 VanDerWaalsContact O-N 3.14Å; L125-I127 VanDerWaalsContact C-N 3.3Å; L125-I127 PolarHBondContact O-N 3.37Å; I127-R130 PolarHBondContact O-N 3Å; I127-K131 PolarHBondContact O-N 3.3Å; I127-Q132 HydrophobicContact CG2-CB 4.01Å; I127-Q132 WeakPolarHBondContact CG2-O 3.15Å; I127-Q132 PolarHBondContact O-N 2.86Å; I127-L134 HydrophobicContact CD1-CD1 4.43Å; I127-L134 HydrophobicContact CG2-CB 4.07Å; I127-L134 HydrophobicContact CG2-CD1 4.37Å; I127-T269 HydrophobicContact CG1-CG2 4.12Å |
| 128 | V | 92.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.2 | -49.2 | -177.7 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | G44 R45 M48 T124 L125 R130 K131 | G44-V128 VanDerWaalsContact C-CG1 3.44Å; R45-V128 HydrophobicContact CG-CG1 4.13Å; R45-V128 HydrophobicContact CG-CG2 4.28Å; M48-V128 HydrophobicContact CG-CG1 4.38Å; T124-V128 HydrophobicContact CG2-CG2 4.35Å; T124-V128 WeakPolarHBondContact O-CG2 3.2Å; T124-V128 PolarHBondContact O-N 3.43Å; L125-V128 PolarHBondContact O-N 3.39Å; V128-R130 PolarHBondContact O-N 3.47Å; V128-K131 PolarHBondContact O-N 3.16Å |
| 129 | L | 91.6 | Very high | 91.4 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -22.3 | -178.8 | -68.4 | 178.8 | 0 | 0 | 0 | 113.1 | M48 F54 L56 L125 | M48-L129 WeakPolarHBondContact CE-O 3.33Å; M48-L129 HydrophobicContact SD-CD2 4.05Å; F54-L129 HydrophobicContact CD2-CB 4.14Å; F54-L129 HydrophobicContact CD2-CD2 4.17Å; F54-L129 WeakPolarHBondContact CD2-O 3.36Å; F54-L129 HydrophobicContact CE2-CD2 4.2Å; F54-L129 PolarHBondContact N-O 3.3Å; F54-L129 VanDerWaalsContact N-O 3.1Å; L56-L129 HydrophobicContact CD1-CB 3.67Å; L56-L129 HydrophobicContact CD1-CD1 3.75Å; L56-L129 HydrophobicContact CD1-CG 4.38Å; L125-L129 HydrophobicContact CD1-CD1 3.87Å; L125-L129 HydrophobicContact CD1-CD2 4.45Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CD2-CD1 4.39Å; L125-L129 HydrophobicContact CG-CD1 3.76Å; L125-L129 HydrophobicContact CG-CG 4.2Å; L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 VanDerWaalsContact O-CG 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.25Å |
| 130 | R | 90.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.7 | 179.2 | -60.8 | 178.4 | 69.8 | -152.4 | 4 | 113 | L56 F126 I127 V128 Q132 T269 I270 | L56-R130 HydrophobicContact CB-CG 4.38Å; L56-R130 HydrophobicContact CD1-CG 4.23Å; F126-R130 VanDerWaalsContact O-CB 3.23Å; F126-R130 WeakPolarHBondContact O-CB 3.21Å; F126-R130 VanDerWaalsContact O-CD 3.26Å; F126-R130 WeakPolarHBondContact O-CD 3.2Å; F126-R130 WeakPolarHBondContact O-CG 3.28Å; F126-R130 PolarHBondContact O-N 2.9Å; I127-R130 PolarHBondContact O-N 3Å; V128-R130 PolarHBondContact O-N 3.47Å; R130-Q132 VanDerWaalsContact C-N 3.32Å; R130-Q132 HydrophobicContact CB-CG 3.75Å; R130-Q132 WeakPolarHBondContact O-CG 3.33Å; R130-Q132 PolarHBondContact O-N 3.25Å; R130-Q132 PolarHBondContact O-NE2 3.02Å; R130-T269 HydrophobicContact CB-CG2 4.47Å; R130-T269 VanDerWaalsContact NH1-CG2 3.29Å; R130-T269 PolarHBondContact NH1-O 3.25Å; R130-T269 PolarHBondContact NH2-O 3.39Å; R130-I270 VanDerWaalsContact NH2-CG1 3.29Å |
| 131 | K | 89.2 | Confident | 91.4 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 39.3 | -177.5 | -63.1 | -171 | 160 | -166.9 | 0 | 114 | M48 R51 K53 I127 V128 | M48-K131 HydrophobicContact CE-CG 3.93Å; M48-K131 WeakPolarHBondContact O-CE 3.23Å; M48-K131 PolarHBondContact O-NZ 3.31Å; R51-K131 WeakPolarHBondContact O-CE 3.29Å; R51-K131 PolarHBondContact O-NZ 3.27Å; K53-K131 HydrophobicContact CB-CB 4.46Å; K53-K131 HydrophobicContact CB-CD 4.36Å; K53-K131 HydrophobicContact CB-CG 4.31Å; I127-K131 PolarHBondContact O-N 3.3Å; V128-K131 PolarHBondContact O-N 3.16Å |
| 132 | Q | 88.2 | Confident | 91.6 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | trans | -97.5 | 156.6 | -175.7 | -56.1 | -68.4 | -36.2 | 0 | 0 | 109.5 | I127 R130 L134 T268 T269 | I127-Q132 HydrophobicContact CG2-CB 4.01Å; I127-Q132 WeakPolarHBondContact CG2-O 3.15Å; I127-Q132 PolarHBondContact O-N 2.86Å; R130-Q132 VanDerWaalsContact C-N 3.32Å; R130-Q132 HydrophobicContact CB-CG 3.75Å; R130-Q132 WeakPolarHBondContact O-CG 3.33Å; R130-Q132 PolarHBondContact O-N 3.25Å; R130-Q132 PolarHBondContact O-NE2 3.02Å; Q132-L134 PolarHBondContact O-N 2.86Å; Q132-T268 VanDerWaalsContact OE1-CG2 3.27Å; Q132-T268 PolarHBondContact OE1-O 3.16Å; Q132-T269 HydrophobicContact CB-CG2 3.7Å; Q132-T269 WeakPolarHBondContact CB-OG1 3.48Å; Q132-T269 VanDerWaalsContact CD-CA 3.46Å; Q132-T269 HydrophobicContact CG-CG2 3.45Å; Q132-T269 VanDerWaalsContact CG-CG2 3.45Å; Q132-T269 WeakPolarHBondContact CG-O 3.5Å; Q132-T269 VanDerWaalsContact OE1-CA 3.28Å | ||
| 133 | R | 88.1 | Confident | 91.7 | Very high | 201 Ų | 201 | 48.4 Ų | 48.4 | 76% | 0.758 | 22% | 0.216 | S | C | * | . | trans | -71.2 | 105.7 | -173.7 | -174.9 | 179.9 | 179.6 | -171 | -0.5 | 109.9 | I135 | R133-I135 HydrophobicContact CG-CG2 4.39Å; R133-I135 PolarHBondContact O-N 2.91Å | ||
| 134 | L | 89.8 | Confident | 92 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | trans | -73.9 | 107.7 | 169.8 | -178.2 | 59 | 0 | 0 | 0 | 109.9 | I41 T124 I127 Q132 H138 W139 | I41-L134 HydrophobicContact CD1-CD2 4.12Å; I41-L134 HydrophobicContact CG1-CD2 4.17Å; I41-L134 HydrophobicContact CG2-CD2 3.65Å; T124-L134 HydrophobicContact CG2-CD1 3.77Å; T124-L134 HydrophobicContact CG2-CD2 3.84Å; T124-L134 HydrophobicContact CG2-CG 4.47Å; I127-L134 HydrophobicContact CD1-CD1 4.43Å; I127-L134 HydrophobicContact CG2-CB 4.07Å; I127-L134 HydrophobicContact CG2-CD1 4.37Å; Q132-L134 PolarHBondContact O-N 2.86Å; L134-H138 HydrophobicContact CD1-CB 4.26Å; L134-W139 HydrophobicContact CD1-CB 4.35Å; L134-W139 HydrophobicContact CD2-CB 4.43Å | ||
| 135 | I | 89.4 | Confident | 92.1 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | trans | -83 | 154.7 | 178.8 | 62.5 | 172.4 | 0 | 0 | 0 | 111.7 | R133 L137 H138 W139 V265 | R133-I135 HydrophobicContact CG-CG2 4.39Å; R133-I135 PolarHBondContact O-N 2.91Å; I135-L137 HydrophobicContact CD1-CB 4.03Å; I135-L137 HydrophobicContact CD1-CD2 4.26Å; I135-L137 HydrophobicContact CG1-CB 4.35Å; I135-L137 PolarHBondContact O-N 2.75Å; I135-H138 HydrophobicContact CG1-CB 3.86Å; I135-H138 PolarHBondContact O-N 3.45Å; I135-W139 VanDerWaalsContact O-CD1 3.26Å; I135-V265 HydrophobicContact CD1-CG1 3.81Å | ||
| 136 | F | 90.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 46% | 0.461 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.5 | -49.9 | 178.8 | 175.8 | -104.1 | 0 | 0 | 0 | 112.7 | H138 W139 Y140 L243 | F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.12Å; F136-W139 AromaticContact CD2-CE2 3.73Å; F136-W139 HydrophobicContact CD2-CH2 4.12Å; F136-W139 AromaticContact CD2-CZ2 3.35Å; F136-W139 HydrophobicContact CD2-CZ2 3.35Å; F136-W139 AromaticContact CD2-NE1 3.95Å; F136-W139 AromaticContact CE2-CH2 3.77Å; F136-W139 HydrophobicContact CE2-CH2 3.77Å; F136-W139 AromaticContact CE2-CZ2 3.48Å; F136-W139 HydrophobicContact CE2-CZ2 3.48Å; F136-W139 VanDerWaalsContact CE2-CZ2 3.48Å; F136-W139 PolarHBondContact O-N 3.46Å; F136-Y140 HydrophobicContact CE1-CD1 4.33Å; F136-Y140 HydrophobicContact CE1-CG 4.09Å; F136-Y140 AromaticContact CZ-CD2 3.97Å; F136-Y140 HydrophobicContact CZ-CD2 3.97Å; F136-Y140 AromaticContact CZ-CG 3.88Å; F136-Y140 HydrophobicContact CZ-CG 3.88Å; F136-Y140 WeakPolarHBondContact O-CB 3.06Å; F136-Y140 PolarHBondContact O-N 3.02Å; F136-L243 HydrophobicContact CD1-CD2 4.03Å; F136-L243 HydrophobicContact CE1-CD1 4.18Å; F136-L243 HydrophobicContact CE1-CD2 4.07Å |
| 137 | L | 89.4 | Confident | 92.6 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -48 | -43.9 | 179.7 | 175.6 | 75.9 | 0 | 0 | 0 | 112.3 | I135 H141 L243 F244 F247 | I135-L137 HydrophobicContact CD1-CB 4.03Å; I135-L137 HydrophobicContact CD1-CD2 4.26Å; I135-L137 HydrophobicContact CG1-CB 4.35Å; I135-L137 PolarHBondContact O-N 2.75Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.97Å; L137-L243 HydrophobicContact CD1-CB 3.37Å; L137-L243 HydrophobicContact CD1-CD1 4.06Å; L137-L243 HydrophobicContact CD1-CG 4.3Å; L137-F244 HydrophobicContact CD1-CD2 4.01Å; L137-F244 HydrophobicContact CD1-CE2 3.92Å; L137-F244 HydrophobicContact CD1-CZ 4.32Å; L137-F244 HydrophobicContact CD2-CD1 4.23Å; L137-F244 HydrophobicContact CD2-CE1 3.91Å; L137-F244 HydrophobicContact CD2-CE2 4.41Å; L137-F244 HydrophobicContact CD2-CZ 4.01Å; L137-F244 HydrophobicContact CG-CZ 4.49Å; L137-F247 HydrophobicContact CD2-CB 4.49Å |
| 138 | H | 91 | Very high | 92.9 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -57.8 | -172.6 | -178.5 | 88.4 | 0 | 0 | 0 | 112.1 | T124 L134 I135 F136 Y140 H141 H142 | T124-H138 PolarHBondContact OG1-CD2 3.14Å; T124-H138 VanDerWaalsContact OG1-CD2 3.29Å; T124-H138 PolarHBondContact OG1-NE2 3.16Å; L134-H138 HydrophobicContact CD1-CB 4.26Å; I135-H138 HydrophobicContact CG1-CB 3.86Å; I135-H138 PolarHBondContact O-N 3.45Å; F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.12Å; H138-Y140 PolarHBondContact O-N 3.2Å; H138-H141 PolarHBondContact O-N 2.94Å; H138-H142 AromaticContact CD2-CD2 3.64Å; H138-H142 AromaticContact CE1-CD2 3.44Å; H138-H142 PolarHBondContact CE1-CD2 2.71Å; H138-H142 VanDerWaalsContact CE1-CD2 3.44Å; H138-H142 AromaticContact CE1-NE2 3.09Å; H138-H142 PolarHBondContact CE1-NE2 3.29Å; H138-H142 AromaticContact CG-CD2 3.9Å; H138-H142 AromaticContact ND1-CD2 3.78Å; H138-H142 AromaticContact ND1-NE2 3.62Å; H138-H142 AromaticContact NE2-CD2 3.38Å; H138-H142 PolarHBondContact NE2-CD2 3.27Å; H138-H142 AromaticContact NE2-NE2 3.47Å; H138-H142 PolarHBondContact NE2-NE2 3.01Å; H138-H142 PolarHBondContact O-CD2 3.26Å; H138-H142 PolarHBondContact O-N 2.87Å |
| 139 | W | 92.9 | Very high | 93 | Very high | 94 Ų | 94 | 46.3 Ų | 46.3 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.3 | -33.2 | -176.3 | 69.8 | -99.4 | 0 | 0 | 0 | 112.3 | Y37 I41 L134 I135 F136 I143 | Y37-W139 HydrophobicContact CE1-CB 4.18Å; Y37-W139 WeakPolarHBondContact OH-CA 3.18Å; I41-W139 HydrophobicContact CD1-CB 4.02Å; L134-W139 HydrophobicContact CD1-CB 4.35Å; L134-W139 HydrophobicContact CD2-CB 4.43Å; I135-W139 VanDerWaalsContact O-CD1 3.26Å; F136-W139 AromaticContact CD2-CE2 3.73Å; F136-W139 HydrophobicContact CD2-CH2 4.12Å; F136-W139 AromaticContact CD2-CZ2 3.35Å; F136-W139 HydrophobicContact CD2-CZ2 3.35Å; F136-W139 AromaticContact CD2-NE1 3.95Å; F136-W139 AromaticContact CE2-CH2 3.77Å; F136-W139 HydrophobicContact CE2-CH2 3.77Å; F136-W139 AromaticContact CE2-CZ2 3.48Å; F136-W139 HydrophobicContact CE2-CZ2 3.48Å; F136-W139 VanDerWaalsContact CE2-CZ2 3.48Å; F136-W139 PolarHBondContact O-N 3.46Å; W139-I143 HydrophobicContact CE3-CD1 3.81Å; W139-I143 HydrophobicContact CZ3-CD1 4.13Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 2.99Å |
| 140 | Y | 95 | Very high | 93.3 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -54.9 | 172.8 | 170.6 | -107.9 | 0 | 0 | 0 | 109.7 | F136 H138 H142 I143 T144 S239 Y240 L243 | F136-Y140 HydrophobicContact CE1-CD1 4.33Å; F136-Y140 HydrophobicContact CE1-CG 4.09Å; F136-Y140 AromaticContact CZ-CD2 3.97Å; F136-Y140 HydrophobicContact CZ-CD2 3.97Å; F136-Y140 AromaticContact CZ-CG 3.88Å; F136-Y140 HydrophobicContact CZ-CG 3.88Å; F136-Y140 WeakPolarHBondContact O-CB 3.06Å; F136-Y140 PolarHBondContact O-N 3.02Å; H138-Y140 PolarHBondContact O-N 3.2Å; Y140-H142 PolarHBondContact O-N 3.39Å; Y140-I143 PolarHBondContact O-N 2.78Å; Y140-T144 HydrophobicContact CD2-CG2 4.16Å; Y140-T144 HydrophobicContact CE2-CG2 3.74Å; Y140-T144 PolarHBondContact O-N 2.77Å; Y140-T144 PolarHBondContact O-OG1 3.36Å; Y140-S239 WeakPolarHBondContact CE1-OG 3.45Å; Y140-S239 WeakPolarHBondContact OH-CB 3.32Å; Y140-S239 PolarHBondContact OH-OG 3.31Å; Y140-Y240 HydrophobicContact CD1-CD1 4.35Å; Y140-Y240 AromaticContact CD1-CE1 3.99Å; Y140-Y240 HydrophobicContact CD1-CE1 3.99Å; Y140-Y240 AromaticContact CE1-CD1 3.86Å; Y140-Y240 HydrophobicContact CE1-CD1 3.86Å; Y140-Y240 AromaticContact CE1-CE1 3.58Å; Y140-Y240 HydrophobicContact CE1-CE1 3.58Å; Y140-L243 HydrophobicContact CD1-CD1 3.67Å; Y140-L243 HydrophobicContact CE1-CD1 3.73Å |
| 141 | H | 94.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 11% | 0.111 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.3 | -51.5 | 177.9 | 170.6 | -91.4 | 0 | 0 | 0 | 112.3 | L137 H138 I143 T144 V145 Y240 | L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.97Å; H138-H141 PolarHBondContact O-N 2.94Å; H141-I143 VanDerWaalsContact C-N 3.33Å; H141-I143 PolarHBondContact O-N 2.9Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 3.43Å; H141-V145 WeakPolarHBondContact NE2-CG1 3.28Å; H141-V145 WeakPolarHBondContact O-CG1 3.33Å; H141-V145 VanDerWaalsContact O-CG2 3.25Å; H141-V145 WeakPolarHBondContact O-CG2 3.19Å; H141-V145 PolarHBondContact O-N 3.15Å; H141-Y240 HydrophobicContact CB-CE1 4.29Å; H141-Y240 AromaticContact CD2-CE2 3.58Å; H141-Y240 AromaticContact CD2-CZ 3.64Å; H141-Y240 PolarHBondContact O-OH 2.81Å |
| 142 | H | 95.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | -177 | -83.3 | -67.9 | 0 | 0 | 0 | 113.4 | L121 D123 H138 Y140 L146 | L121-H142 HydrophobicContact CD2-CB 3.83Å; D123-H142 IonicContact OD2-CE1 3.92Å; H138-H142 AromaticContact CD2-CD2 3.64Å; H138-H142 AromaticContact CE1-CD2 3.44Å; H138-H142 PolarHBondContact CE1-CD2 2.71Å; H138-H142 VanDerWaalsContact CE1-CD2 3.44Å; H138-H142 AromaticContact CE1-NE2 3.09Å; H138-H142 PolarHBondContact CE1-NE2 3.29Å; H138-H142 AromaticContact CG-CD2 3.9Å; H138-H142 AromaticContact ND1-CD2 3.78Å; H138-H142 AromaticContact ND1-NE2 3.62Å; H138-H142 AromaticContact NE2-CD2 3.38Å; H138-H142 PolarHBondContact NE2-CD2 3.27Å; H138-H142 AromaticContact NE2-NE2 3.47Å; H138-H142 PolarHBondContact NE2-NE2 3.01Å; H138-H142 PolarHBondContact O-CD2 3.26Å; H138-H142 PolarHBondContact O-N 2.87Å; Y140-H142 PolarHBondContact O-N 3.39Å; H142-L146 VanDerWaalsContact O-CB 3.3Å; H142-L146 WeakPolarHBondContact O-CB 3.36Å; H142-L146 PolarHBondContact O-N 3.33Å |
| 143 | I | 96.9 | Very high | 94 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -52.3 | 174.5 | -70.1 | 176.9 | 0 | 0 | 0 | 110.3 | C34 Y37 W139 Y140 H141 L146 L147 | C34-I143 HydrophobicContact CB-CG2 4.27Å; Y37-I143 HydrophobicContact CD1-CD1 3.95Å; Y37-I143 HydrophobicContact CD1-CG1 3.61Å; Y37-I143 HydrophobicContact CE1-CD1 4.04Å; Y37-I143 HydrophobicContact CE1-CG1 3.67Å; W139-I143 HydrophobicContact CE3-CD1 3.81Å; W139-I143 HydrophobicContact CZ3-CD1 4.13Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 2.99Å; Y140-I143 PolarHBondContact O-N 2.78Å; H141-I143 VanDerWaalsContact C-N 3.33Å; H141-I143 PolarHBondContact O-N 2.9Å; I143-L146 PolarHBondContact O-N 2.96Å; I143-L147 HydrophobicContact CG2-CD1 3.98Å; I143-L147 WeakPolarHBondContact O-CG 3.26Å; I143-L147 PolarHBondContact O-N 3.01Å; I143-L147 VanDerWaalsContact O-N 3.09Å |
| 144 | T | 97.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.1 | -37.4 | -171.6 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | Y140 H141 Y148 Y240 | Y140-T144 HydrophobicContact CD2-CG2 4.16Å; Y140-T144 HydrophobicContact CE2-CG2 3.74Å; Y140-T144 PolarHBondContact O-N 2.77Å; Y140-T144 PolarHBondContact O-OG1 3.36Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 3.43Å; T144-Y148 WeakPolarHBondContact O-CB 3.29Å; T144-Y148 PolarHBondContact O-N 3.34Å; T144-Y240 WeakPolarHBondContact CB-OH 3.08Å; T144-Y240 PolarHBondContact OG1-OH 3.38Å |
| 145 | V | 96.2 | Very high | 94.2 | Very high | 18 Ų | 18 | 33 Ų | 33 | 11% | 0.109 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -34.5 | 174.5 | -60 | 0 | 0 | 0 | 0 | 112.8 | K117 H141 S149 M236 Y240 | K117-V145 HydrophobicContact CD-CG2 4.37Å; H141-V145 WeakPolarHBondContact NE2-CG1 3.28Å; H141-V145 WeakPolarHBondContact O-CG1 3.33Å; H141-V145 VanDerWaalsContact O-CG2 3.25Å; H141-V145 WeakPolarHBondContact O-CG2 3.19Å; H141-V145 PolarHBondContact O-N 3.15Å; V145-S149 WeakPolarHBondContact O-CB 3.16Å; V145-S149 PolarHBondContact O-N 3.44Å; V145-S149 PolarHBondContact O-OG 3.13Å; V145-M236 HydrophobicContact CG1-SD 4.33Å; V145-Y240 HydrophobicContact CG1-CE2 3.72Å; V145-Y240 WeakPolarHBondContact CG1-OH 3.22Å; V145-Y240 PolarHBondContact N-OH 3.39Å |
| 146 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -50.7 | 176.7 | 176.3 | 59.9 | 0 | 0 | 0 | 110.7 | F33 K117 A118 L121 H142 I143 S149 W150 | F33-L146 HydrophobicContact CB-CD2 3.85Å; K117-L146 HydrophobicContact CB-CB 4.29Å; K117-L146 HydrophobicContact CB-CD1 3.7Å; A118-L146 HydrophobicContact CB-CD1 4.23Å; L121-L146 HydrophobicContact CD1-CD2 3.72Å; L121-L146 HydrophobicContact CD2-CD2 4.37Å; L121-L146 HydrophobicContact CG-CD2 4.33Å; H142-L146 VanDerWaalsContact O-CB 3.3Å; H142-L146 WeakPolarHBondContact O-CB 3.36Å; H142-L146 PolarHBondContact O-N 3.33Å; I143-L146 PolarHBondContact O-N 2.96Å; L146-S149 PolarHBondContact O-OG 3.43Å; L146-S149 VanDerWaalsContact O-OG 3.14Å; L146-W150 HydrophobicContact CD1-CG 4.44Å; L146-W150 PolarHBondContact O-N 3.38Å |
| 147 | L | 97.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 27.7 Ų | 27.7 | 22% | 0.22 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 177.1 | -67 | 174.8 | 0 | 0 | 0 | 111.6 | F31 I143 Y151 | F31-L147 HydrophobicContact CD1-CD2 3.61Å; F31-L147 HydrophobicContact CE1-CD1 4.36Å; F31-L147 HydrophobicContact CE1-CD2 3.78Å; F31-L147 HydrophobicContact CG-CD2 4.05Å; F31-L147 HydrophobicContact CZ-CD2 4.34Å; I143-L147 HydrophobicContact CG2-CD1 3.98Å; I143-L147 WeakPolarHBondContact O-CG 3.26Å; I143-L147 PolarHBondContact O-N 3.01Å; I143-L147 VanDerWaalsContact O-N 3.09Å; L147-Y151 VanDerWaalsContact O-CB 3.25Å; L147-Y151 WeakPolarHBondContact O-CB 3.34Å; L147-Y151 PolarHBondContact O-N 3.26Å |
| 148 | Y | 96.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 12% | 0.118 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | -175.5 | 175.6 | -100.5 | 0 | 0 | 0 | 112.6 | T144 Y151 S152 N229 S233 M236 | T144-Y148 WeakPolarHBondContact O-CB 3.29Å; T144-Y148 PolarHBondContact O-N 3.34Å; Y148-Y151 PolarHBondContact O-N 3.4Å; Y148-S152 WeakPolarHBondContact CE2-OG 3.37Å; Y148-S152 WeakPolarHBondContact O-CB 3.48Å; Y148-S152 PolarHBondContact O-N 2.88Å; Y148-S152 PolarHBondContact O-OG 2.95Å; Y148-N229 PolarHBondContact OH-OD1 2.91Å; Y148-S233 WeakPolarHBondContact OH-CB 3.48Å; Y148-S233 PolarHBondContact OH-OG 3.46Å; Y148-M236 HydrophobicContact CD1-CE 3.44Å; Y148-M236 VanDerWaalsContact CD1-CE 3.44Å; Y148-M236 HydrophobicContact CD1-SD 3.87Å; Y148-M236 HydrophobicContact CE1-CE 3.75Å; Y148-M236 HydrophobicContact CG-CE 3.9Å; Y148-M236 HydrophobicContact CG-SD 3.83Å |
| 149 | S | 96.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | -180 | 57.1 | 0 | 0 | 0 | 0 | 112 | V145 L146 S152 Y153 | V145-S149 WeakPolarHBondContact O-CB 3.16Å; V145-S149 PolarHBondContact O-N 3.44Å; V145-S149 PolarHBondContact O-OG 3.13Å; L146-S149 PolarHBondContact O-OG 3.43Å; L146-S149 VanDerWaalsContact O-OG 3.14Å; S149-S152 PolarHBondContact O-N 2.75Å; S149-Y153 WeakPolarHBondContact O-CB 3.38Å; S149-Y153 PolarHBondContact O-N 3.39Å |
| 150 | W | 96.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.9 | -76.6 | 48.7 | 0 | 0 | 0 | 111.8 | W22 M23 W27 K29 F33 V114 L115 L146 | W22-W150 AromaticContact CH2-CH2 3.7Å; W22-W150 HydrophobicContact CH2-CH2 3.7Å; W22-W150 AromaticContact CH2-CZ3 4Å; W22-W150 HydrophobicContact CH2-CZ3 4Å; W22-W150 AromaticContact CZ3-CH2 3.88Å; W22-W150 HydrophobicContact CZ3-CH2 3.88Å; W22-W150 HydrophobicContact CZ3-CZ3 4.01Å; M23-W150 HydrophobicContact CE-CB 4.02Å; M23-W150 HydrophobicContact CE-CD2 3.94Å; M23-W150 HydrophobicContact CE-CE3 4.14Å; M23-W150 HydrophobicContact CE-CG 3.93Å; W27-W150 HydrophobicContact CB-CB 4.44Å; K29-W150 HydrophobicContact CB-CZ3 4.03Å; F33-W150 HydrophobicContact CD2-CH2 4.2Å; F33-W150 HydrophobicContact CD2-CZ2 4.39Å; F33-W150 AromaticContact CE2-CH2 3.57Å; F33-W150 HydrophobicContact CE2-CH2 3.57Å; F33-W150 HydrophobicContact CE2-CZ2 4.05Å; F33-W150 HydrophobicContact CE2-CZ3 4.12Å; V114-W150 HydrophobicContact CG1-CB 4.47Å; V114-W150 HydrophobicContact CG1-CG 3.91Å; V114-W150 PolarHBondContact O-NE1 3.21Å; L115-W150 HydrophobicContact CD2-CH2 4.34Å; L115-W150 HydrophobicContact CD2-CZ2 3.96Å; L146-W150 HydrophobicContact CD1-CG 4.44Å; L146-W150 PolarHBondContact O-N 3.38Å |
| 151 | Y | 95.4 | Very high | 94.8 | Very high | 48 Ų | 48 | 18.4 Ų | 18.4 | 19% | 0.188 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 176 | 174.1 | -105.5 | 0 | 0 | 0 | 112.5 | W27 L147 Y148 K154 H228 N229 | W27-Y151 HydrophobicContact CE3-CD2 4.14Å; W27-Y151 HydrophobicContact CH2-CD2 4.14Å; W27-Y151 AromaticContact CZ3-CD2 3.83Å; W27-Y151 HydrophobicContact CZ3-CD2 3.83Å; L147-Y151 VanDerWaalsContact O-CB 3.25Å; L147-Y151 WeakPolarHBondContact O-CB 3.34Å; L147-Y151 PolarHBondContact O-N 3.26Å; Y148-Y151 PolarHBondContact O-N 3.4Å; Y151-K154 VanDerWaalsContact O-CG 3.31Å; Y151-K154 WeakPolarHBondContact O-CG 3.5Å; Y151-H228 PolarHBondContact OH-ND1 3.41Å; Y151-N229 HydrophobicContact CE1-CB 4.22Å; Y151-N229 WeakPolarHBondContact CE1-ND2 3.46Å |
| 152 | S | 94.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -79.5 | -35.6 | -174.4 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | Y148 S149 K154 D155 M156 V157 N229 | Y148-S152 WeakPolarHBondContact CE2-OG 3.37Å; Y148-S152 WeakPolarHBondContact O-CB 3.48Å; Y148-S152 PolarHBondContact O-N 2.88Å; Y148-S152 PolarHBondContact O-OG 2.95Å; S149-S152 PolarHBondContact O-N 2.75Å; S152-K154 VanDerWaalsContact C-N 3.31Å; S152-K154 PolarHBondContact O-N 3.24Å; S152-D155 PolarHBondContact O-N 3.35Å; S152-M156 PolarHBondContact O-N 2.94Å; S152-V157 PolarHBondContact O-N 2.97Å; S152-N229 WeakPolarHBondContact CB-ND2 3.23Å; S152-N229 PolarHBondContact OG-ND2 2.61Å |
| 153 | Y | 93.8 | Very high | 95 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 179.8 | -173.6 | -81.2 | 0 | 0 | 0 | 112.3 | I20 M23 Y101 A110 Y111 V114 S149 D155 M156 | I20-Y153 HydrophobicContact CG1-CE1 4.25Å; M23-Y153 HydrophobicContact CB-CD1 3.69Å; M23-Y153 HydrophobicContact CB-CE1 4.06Å; M23-Y153 HydrophobicContact CE-CD1 4.43Å; M23-Y153 HydrophobicContact CG-CD1 3.48Å; M23-Y153 VanDerWaalsContact CG-CD1 3.48Å; M23-Y153 HydrophobicContact CG-CE1 3.64Å; M23-Y153 HydrophobicContact CG-CG 4.48Å; Y101-Y153 AromaticContact CD1-CD2 3.77Å; Y101-Y153 HydrophobicContact CD1-CD2 3.77Å; Y101-Y153 AromaticContact CD1-CE2 3.59Å; Y101-Y153 HydrophobicContact CD1-CE2 3.59Å; Y101-Y153 AromaticContact CE1-CD2 3.6Å; Y101-Y153 HydrophobicContact CE1-CD2 3.6Å; Y101-Y153 AromaticContact CE1-CE2 3.93Å; Y101-Y153 HydrophobicContact CE1-CE2 3.93Å; Y101-Y153 HydrophobicContact CE1-CG 4.31Å; A110-Y153 HydrophobicContact CB-CE2 3.92Å; Y111-Y153 HydrophobicContact CD2-CE1 4.24Å; V114-Y153 HydrophobicContact CB-CD2 4.42Å; V114-Y153 HydrophobicContact CG2-CD2 3.47Å; V114-Y153 VanDerWaalsContact CG2-CD2 3.47Å; V114-Y153 HydrophobicContact CG2-CE2 4.31Å; V114-Y153 HydrophobicContact CG2-CG 3.82Å; S149-Y153 WeakPolarHBondContact O-CB 3.38Å; S149-Y153 PolarHBondContact O-N 3.39Å; Y153-D155 PolarHBondContact O-N 3.3Å; Y153-D155 VanDerWaalsContact O-N 3.13Å; Y153-M156 PolarHBondContact O-N 3.3Å |
| 154 | K | 91.3 | Very high | 95 | Very high | 38 Ų | 38 | 19.2 Ų | 19.2 | 17% | 0.165 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.3 | 179.7 | 94.7 | -173 | 172.3 | 64.1 | 0 | 112.9 | Q24 W27 Y151 S152 | Q24-K154 HydrophobicContact CG-CB 4.21Å; Q24-K154 WeakPolarHBondContact CG-O 3.44Å; Q24-K154 PolarHBondContact NE2-O 2.91Å; W27-K154 HydrophobicContact CB-CB 4.49Å; W27-K154 HydrophobicContact CB-CD 4.47Å; W27-K154 HydrophobicContact CD2-CD 4Å; W27-K154 HydrophobicContact CG-CD 3.77Å; Y151-K154 VanDerWaalsContact O-CG 3.31Å; Y151-K154 WeakPolarHBondContact O-CG 3.5Å; S152-K154 VanDerWaalsContact C-N 3.31Å; S152-K154 PolarHBondContact O-N 3.24Å |
| 155 | D | 90.1 | Very high | 95 | Very high | 38 Ų | 38 | 18.6 Ų | 18.6 | 20% | 0.203 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 0.9 | -177.5 | -64.4 | -28.1 | 0 | 0 | 0 | 111.7 | Q98 S152 Y153 V157 H226 | Q98-D155 PolarHBondContact NE2-O 2.97Å; S152-D155 PolarHBondContact O-N 3.35Å; Y153-D155 PolarHBondContact O-N 3.3Å; Y153-D155 VanDerWaalsContact O-N 3.13Å; D155-V157 HydrophobicContact CB-CG1 3.8Å; D155-V157 PolarHBondContact O-N 3.43Å; D155-V157 VanDerWaalsContact O-N 3.16Å; D155-H226 IonicContact OD2-CD2 3.95Å |
| 156 | M | 92.5 | Very high | 95 | Very high | 35 Ų | 35 | 18.8 Ų | 18.8 | 17% | 0.172 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 44.3 | -177.7 | -63.6 | 178.5 | -72.9 | 0 | 0 | 112.4 | I20 Q98 Y101 S152 Y153 | I20-M156 HydrophobicContact CD1-CE 4.39Å; I20-M156 HydrophobicContact CD1-SD 3.46Å; I20-M156 WeakPolarHBondContact CD1-SD 3.37Å; I20-M156 HydrophobicContact CG1-SD 4.02Å; I20-M156 HydrophobicContact CG2-CE 4.35Å; I20-M156 HydrophobicContact CG2-SD 4.4Å; Q98-M156 WeakPolarHBondContact CG-O 3.24Å; Q98-M156 PolarHBondContact NE2-O 2.9Å; Y101-M156 HydrophobicContact CD1-CB 4.41Å; Y101-M156 HydrophobicContact CD1-CG 4.14Å; Y101-M156 HydrophobicContact CD2-CB 3.64Å; Y101-M156 HydrophobicContact CD2-CG 4.08Å; Y101-M156 HydrophobicContact CE2-CB 3.82Å; Y101-M156 WeakPolarHBondContact CE2-O 3.33Å; Y101-M156 HydrophobicContact CG-CB 3.95Å; Y101-M156 HydrophobicContact CG-CG 3.84Å; Y101-M156 HydrophobicContact CG-SD 4.41Å; S152-M156 PolarHBondContact O-N 2.94Å; Y153-M156 PolarHBondContact O-N 3.3Å |
| 157 | V | 93.1 | Very high | 95 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | trans | -60.2 | 144.7 | -169.1 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | Y101 S152 D155 G160 N229 | Y101-V157 PolarHBondContact OH-O 3.23Å; S152-V157 PolarHBondContact O-N 2.97Å; D155-V157 HydrophobicContact CB-CG1 3.8Å; D155-V157 PolarHBondContact O-N 3.43Å; D155-V157 VanDerWaalsContact O-N 3.16Å; V157-G160 PolarHBondContact O-N 2.9Å; V157-N229 HydrophobicContact CG1-CB 4.24Å | ||
| 158 | A | 93.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 3% | 0.033 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 148 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G160 V213 C223 P224 | A158-G160 PolarHBondContact O-N 3.35Å; A158-V213 HydrophobicContact CB-CG1 4.05Å; A158-V213 HydrophobicContact CB-CG2 4.18Å; A158-C223 VanDerWaalsContact CB-SG 3.58Å; A158-P224 WeakPolarHBondContact CB-O 3.29Å; A158-P224 PolarHBondContact N-O 3.3Å |
| 159 | G | 93.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -14.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V95 G161 W162 F163 | V95-G159 WeakPolarHBondContact O-CA 3.12Å; V95-G159 PolarHBondContact O-N 3.48Å; G159-G161 VanDerWaalsContact C-N 3.32Å; G159-G161 PolarHBondContact O-N 3.44Å; G159-W162 PolarHBondContact O-N 2.88Å; G159-W162 VanDerWaalsContact O-N 3.12Å; G159-F163 VanDerWaalsContact C-CD2 3.45Å; G159-F163 WeakPolarHBondContact O-CD2 3.39Å; G159-F163 WeakPolarHBondContact O-CG 3.36Å; G159-F163 PolarHBondContact O-N 2.99Å |
| 160 | G | 94 | Very high | 95.2 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 5% | 0.052 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.6 | -45.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y101 V157 A158 W162 F163 M164 | Y101-G160 WeakPolarHBondContact OH-CA 3.3Å; V157-G160 PolarHBondContact O-N 2.9Å; A158-G160 PolarHBondContact O-N 3.35Å; G160-W162 VanDerWaalsContact C-N 3.34Å; G160-W162 PolarHBondContact O-N 2.8Å; G160-F163 PolarHBondContact O-N 3.39Å; G160-M164 WeakPolarHBondContact O-CB 3.37Å; G160-M164 VanDerWaalsContact O-CE 3.25Å; G160-M164 WeakPolarHBondContact O-CE 3.43Å; G160-M164 VanDerWaalsContact O-CG 3.31Å; G160-M164 WeakPolarHBondContact O-CG 3.44Å; G160-M164 PolarHBondContact O-N 3.37Å |
| 161 | G | 95.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F100 G159 T165 | F100-G161 VanDerWaalsContact CG-CA 3.46Å; G159-G161 VanDerWaalsContact C-N 3.32Å; G159-G161 PolarHBondContact O-N 3.44Å; G161-T165 WeakPolarHBondContact O-CB 3.37Å; G161-T165 PolarHBondContact O-N 3.44Å; G161-T165 PolarHBondContact O-OG1 3.31Å |
| 162 | W | 96.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 19 Ų | 19 | 22% | 0.223 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | 174.2 | -81 | 98 | 0 | 0 | 0 | 111.9 | M82 L86 L91 S94 G159 G160 M164 T165 M166 V209 | M82-W162 HydrophobicContact CE-CD2 4Å; M82-W162 HydrophobicContact CE-CG 3.8Å; L86-W162 HydrophobicContact CD1-CZ2 4.38Å; L86-W162 HydrophobicContact CD2-CH2 4.03Å; L86-W162 HydrophobicContact CD2-CZ2 4.06Å; L91-W162 HydrophobicContact CD1-CZ2 4.19Å; S94-W162 PolarHBondContact OG-NE1 3.29Å; S94-W162 VanDerWaalsContact OG-NE1 3.07Å; G159-W162 PolarHBondContact O-N 2.88Å; G159-W162 VanDerWaalsContact O-N 3.12Å; G160-W162 VanDerWaalsContact C-N 3.34Å; G160-W162 PolarHBondContact O-N 2.8Å; W162-M164 PolarHBondContact O-N 3.42Å; W162-T165 PolarHBondContact O-N 3.43Å; W162-M166 WeakPolarHBondContact O-CB 3.45Å; W162-M166 WeakPolarHBondContact O-CG 3.14Å; W162-M166 PolarHBondContact O-N 2.89Å; W162-V209 HydrophobicContact CB-CG1 4.31Å; W162-V209 HydrophobicContact CB-CG2 4.02Å; W162-V209 HydrophobicContact CG-CG2 4.2Å |
| 163 | F | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 6% | 0.057 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | -178.7 | -63.6 | -47.4 | 0 | 0 | 0 | 112.8 | G159 G160 M166 N167 V209 N210 Y237 | G159-F163 VanDerWaalsContact C-CD2 3.45Å; G159-F163 WeakPolarHBondContact O-CD2 3.39Å; G159-F163 WeakPolarHBondContact O-CG 3.36Å; G159-F163 PolarHBondContact O-N 2.99Å; G160-F163 PolarHBondContact O-N 3.39Å; F163-M166 HydrophobicContact CB-CE 4.49Å; F163-M166 HydrophobicContact CD1-CE 3.59Å; F163-M166 HydrophobicContact CE1-CE 4.39Å; F163-M166 WeakPolarHBondContact O-CG 3.24Å; F163-N167 VanDerWaalsContact O-CB 3.32Å; F163-N167 WeakPolarHBondContact O-CB 3.31Å; F163-N167 PolarHBondContact O-N 2.84Å; F163-V209 HydrophobicContact CE1-CB 3.99Å; F163-V209 HydrophobicContact CE1-CG1 3.9Å; F163-V209 HydrophobicContact CE2-CG1 4.21Å; F163-V209 HydrophobicContact CZ-CB 4.15Å; F163-V209 HydrophobicContact CZ-CG1 3.68Å; F163-N210 WeakPolarHBondContact CZ-OD1 3.36Å; F163-Y237 AromaticContact CD1-CE2 3.6Å; F163-Y237 HydrophobicContact CD1-CE2 3.6Å; F163-Y237 AromaticContact CD1-CZ 3.54Å; F163-Y237 WeakPolarHBondContact CD1-OH 3.13Å; F163-Y237 HydrophobicContact CE1-CD2 4.23Å; F163-Y237 AromaticContact CE1-CE2 3.55Å; F163-Y237 HydrophobicContact CE1-CE2 3.55Å; F163-Y237 AromaticContact CE1-CZ 3.88Å; F163-Y237 HydrophobicContact CG-CE2 4.32Å; F163-Y237 HydrophobicContact CZ-CE2 4.25Å |
| 164 | M | 97.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 4% | 0.044 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.3 | -46.7 | 179.3 | -68.2 | -176.3 | -93.4 | 0 | 0 | 111.4 | F100 Y101 A110 F113 G160 W162 M166 N167 Y168 | F100-M164 HydrophobicContact CD1-CE 3.52Å; F100-M164 HydrophobicContact CE1-CB 4.23Å; F100-M164 HydrophobicContact CE1-CE 3.34Å; F100-M164 HydrophobicContact CE1-SD 3.85Å; F100-M164 HydrophobicContact CZ-CB 4.32Å; F100-M164 HydrophobicContact CZ-CE 4.48Å; Y101-M164 HydrophobicContact CD1-CE 4.27Å; Y101-M164 HydrophobicContact CE1-CE 3.51Å; A110-M164 HydrophobicContact CB-CE 4.2Å; A110-M164 HydrophobicContact CB-SD 3.98Å; F113-M164 HydrophobicContact CB-CG 4.47Å; F113-M164 HydrophobicContact CB-SD 4.23Å; F113-M164 HydrophobicContact CD1-CB 4.3Å; F113-M164 HydrophobicContact CD1-CG 3.54Å; F113-M164 HydrophobicContact CD1-SD 3.97Å; F113-M164 HydrophobicContact CD2-CB 4.21Å; F113-M164 HydrophobicContact CD2-CG 4.32Å; F113-M164 HydrophobicContact CE1-CB 4.45Å; F113-M164 HydrophobicContact CE1-CG 3.73Å; F113-M164 HydrophobicContact CE2-CB 4.33Å; F113-M164 HydrophobicContact CE2-CG 4.46Å; F113-M164 HydrophobicContact CG-CB 4.17Å; F113-M164 HydrophobicContact CG-CG 3.85Å; F113-M164 HydrophobicContact CG-SD 4.2Å; F113-M164 HydrophobicContact CZ-CB 4.46Å; F113-M164 HydrophobicContact CZ-CG 4.19Å; G160-M164 WeakPolarHBondContact O-CB 3.37Å; G160-M164 VanDerWaalsContact O-CE 3.25Å; G160-M164 WeakPolarHBondContact O-CE 3.43Å; G160-M164 VanDerWaalsContact O-CG 3.31Å; G160-M164 WeakPolarHBondContact O-CG 3.44Å; G160-M164 PolarHBondContact O-N 3.37Å; W162-M164 PolarHBondContact O-N 3.42Å; M164-M166 PolarHBondContact O-N 2.81Å; M164-N167 PolarHBondContact O-N 3.18Å; M164-Y168 WeakPolarHBondContact O-CD2 3.32Å; M164-Y168 PolarHBondContact O-N 2.93Å |
| 165 | T | 97.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | -177.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | T78 M82 G161 W162 Y168 L169 | T78-T165 WeakPolarHBondContact CB-OG1 3.43Å; T78-T165 PolarHBondContact OG1-OG1 3.33Å; M82-T165 HydrophobicContact CG-CG2 4.29Å; M82-T165 VanDerWaalsContact CG-OG1 3.29Å; M82-T165 WeakPolarHBondContact CG-OG1 3.41Å; G161-T165 WeakPolarHBondContact O-CB 3.37Å; G161-T165 PolarHBondContact O-N 3.44Å; G161-T165 PolarHBondContact O-OG1 3.31Å; W162-T165 PolarHBondContact O-N 3.43Å; T165-Y168 PolarHBondContact O-N 3.32Å; T165-L169 PolarHBondContact O-N 3.25Å |
| 166 | M | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 21.3 Ų | 21.3 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 178.7 | 70.4 | -171.1 | -164.6 | 0 | 0 | 112.1 | W162 F163 M164 L169 V170 Q202 V205 Y237 | W162-M166 WeakPolarHBondContact O-CB 3.45Å; W162-M166 WeakPolarHBondContact O-CG 3.14Å; W162-M166 PolarHBondContact O-N 2.89Å; F163-M166 HydrophobicContact CB-CE 4.49Å; F163-M166 HydrophobicContact CD1-CE 3.59Å; F163-M166 HydrophobicContact CE1-CE 4.39Å; F163-M166 WeakPolarHBondContact O-CG 3.24Å; M164-M166 PolarHBondContact O-N 2.81Å; M166-L169 PolarHBondContact O-N 2.83Å; M166-V170 WeakPolarHBondContact O-CG2 2.99Å; M166-V170 PolarHBondContact O-N 3.47Å; M166-Q202 HydrophobicContact CB-CG 4.31Å; M166-Q202 HydrophobicContact CE-CG 3.7Å; M166-Q202 HydrophobicContact CG-CG 3.74Å; M166-Q202 HydrophobicContact SD-CG 3.89Å; M166-V205 HydrophobicContact SD-CB 4.44Å; M166-V205 HydrophobicContact SD-CG1 4.09Å; M166-Y237 HydrophobicContact CE-CE1 3.45Å; M166-Y237 VanDerWaalsContact CE-CE1 3.45Å; M166-Y237 WeakPolarHBondContact CE-OH 3.16Å |
| 167 | N | 97.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.053 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 175.7 | -177 | -98.1 | 0 | 0 | 0 | 111.2 | F113 K117 F163 M164 L169 V170 H171 | F113-N167 HydrophobicContact CE2-CB 3.65Å; F113-N167 WeakPolarHBondContact CE2-OD1 3.41Å; F113-N167 HydrophobicContact CZ-CB 3.76Å; F113-N167 WeakPolarHBondContact CZ-OD1 3.35Å; K117-N167 PolarHBondContact NZ-OD1 2.81Å; F163-N167 VanDerWaalsContact O-CB 3.32Å; F163-N167 WeakPolarHBondContact O-CB 3.31Å; F163-N167 PolarHBondContact O-N 2.84Å; M164-N167 PolarHBondContact O-N 3.18Å; N167-L169 VanDerWaalsContact C-N 3.3Å; N167-L169 PolarHBondContact O-N 2.9Å; N167-V170 PolarHBondContact O-N 3.36Å; N167-H171 PolarHBondContact ND2-CD2 3.46Å; N167-H171 PolarHBondContact ND2-NE2 3.36Å; N167-H171 VanDerWaalsContact ND2-NE2 3.13Å; N167-H171 VanDerWaalsContact O-CB 3.24Å; N167-H171 WeakPolarHBondContact O-CB 3.26Å; N167-H171 PolarHBondContact O-CD2 3.02Å; N167-H171 PolarHBondContact O-N 3.11Å |
| 168 | Y | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -45.9 | 172.8 | -87.4 | -54.3 | 0 | 0 | 0 | 111.9 | F70 T78 W109 F113 M164 T165 H171 A172 | F70-Y168 HydrophobicContact CD1-CE1 4.21Å; F70-Y168 AromaticContact CE1-CE1 3.59Å; F70-Y168 HydrophobicContact CE1-CE1 3.59Å; F70-Y168 AromaticContact CZ-CE1 3.84Å; F70-Y168 HydrophobicContact CZ-CE1 3.84Å; F70-Y168 WeakPolarHBondContact CZ-OH 3.41Å; T78-Y168 HydrophobicContact CG2-CD2 4.21Å; T78-Y168 HydrophobicContact CG2-CE2 4.15Å; W109-Y168 HydrophobicContact CB-CE2 4.47Å; W109-Y168 PolarHBondContact O-OH 3.45Å; F113-Y168 VanDerWaalsContact CA-OH 3.28Å; F113-Y168 WeakPolarHBondContact CA-OH 3.48Å; F113-Y168 HydrophobicContact CB-CE2 3.81Å; F113-Y168 WeakPolarHBondContact CB-OH 3.42Å; F113-Y168 HydrophobicContact CD2-CD1 4.32Å; F113-Y168 AromaticContact CD2-CD2 3.89Å; F113-Y168 HydrophobicContact CD2-CD2 3.89Å; F113-Y168 HydrophobicContact CD2-CE1 4.07Å; F113-Y168 AromaticContact CD2-CE2 3.6Å; F113-Y168 HydrophobicContact CD2-CE2 3.6Å; F113-Y168 HydrophobicContact CD2-CG 4.25Å; F113-Y168 AromaticContact CD2-CZ 3.71Å; F113-Y168 HydrophobicContact CG-CE2 4.14Å; F113-Y168 PolarHBondContact N-OH 3.4Å; F113-Y168 VanDerWaalsContact N-OH 3.15Å; M164-Y168 WeakPolarHBondContact O-CD2 3.32Å; M164-Y168 PolarHBondContact O-N 2.93Å; T165-Y168 PolarHBondContact O-N 3.32Å; Y168-H171 PolarHBondContact O-N 3.04Å; Y168-A172 VanDerWaalsContact O-CB 3.26Å; Y168-A172 WeakPolarHBondContact O-CB 3.33Å; Y168-A172 PolarHBondContact O-N 2.92Å |
| 169 | L | 98.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 24.2 Ų | 24.2 | 52% | 0.518 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 178.5 | 178.6 | 62.9 | 0 | 0 | 0 | 112.1 | A75 T165 M166 N167 A172 L173 | A75-L169 HydrophobicContact CB-CB 4.38Å; T165-L169 PolarHBondContact O-N 3.25Å; M166-L169 PolarHBondContact O-N 2.83Å; N167-L169 VanDerWaalsContact C-N 3.3Å; N167-L169 PolarHBondContact O-N 2.9Å; L169-A172 WeakPolarHBondContact O-CB 3.44Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.07Å |
| 170 | V | 97.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 6% | 0.055 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.9 | -40.1 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | M166 N167 L173 M174 Q199 Q202 | M166-V170 WeakPolarHBondContact O-CG2 2.99Å; M166-V170 PolarHBondContact O-N 3.47Å; N167-V170 PolarHBondContact O-N 3.36Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-M174 WeakPolarHBondContact O-CB 2.96Å; V170-M174 PolarHBondContact O-N 3.4Å; V170-Q199 HydrophobicContact CG1-CB 4.43Å; V170-Q199 HydrophobicContact CG1-CG 3.41Å; V170-Q199 VanDerWaalsContact CG1-CG 3.41Å; V170-Q202 HydrophobicContact CG2-CB 4.11Å; V170-Q202 HydrophobicContact CG2-CG 4.45Å; V170-Q202 VanDerWaalsContact CG2-OE1 3.23Å |
| 171 | H | 96.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 176 | -82 | -141.1 | 0 | 0 | 0 | 111.6 | E120 N167 Y168 L173 M174 Y175 | E120-H171 IonicContact OE1-ND1 2.76Å; E120-H171 IonicContact OE2-CE1 3.76Å; E120-H171 PolarHBondContact OE2-CE1 3.35Å; E120-H171 VanDerWaalsContact OE2-CE1 3.29Å; E120-H171 IonicContact OE2-ND1 3.35Å; N167-H171 PolarHBondContact ND2-CD2 3.46Å; N167-H171 PolarHBondContact ND2-NE2 3.36Å; N167-H171 VanDerWaalsContact ND2-NE2 3.13Å; N167-H171 VanDerWaalsContact O-CB 3.24Å; N167-H171 WeakPolarHBondContact O-CB 3.26Å; N167-H171 PolarHBondContact O-CD2 3.02Å; N167-H171 PolarHBondContact O-N 3.11Å; Y168-H171 PolarHBondContact O-N 3.04Å; H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 PolarHBondContact O-N 3.29Å; H171-M174 PolarHBondContact O-N 3.44Å; H171-Y175 HydrophobicContact CB-CD2 4.01Å; H171-Y175 HydrophobicContact CB-CE2 4.15Å; H171-Y175 AromaticContact ND1-CE2 3.55Å; H171-Y175 WeakPolarHBondContact O-CB 3.25Å; H171-Y175 WeakPolarHBondContact O-CD2 3.26Å; H171-Y175 PolarHBondContact O-N 2.65Å |
| 172 | A | 97.6 | Very high | 95 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I72 Y168 L169 S176 | I72-A172 HydrophobicContact CB-CB 4.49Å; I72-A172 HydrophobicContact CG1-CB 3.71Å; Y168-A172 VanDerWaalsContact O-CB 3.26Å; Y168-A172 WeakPolarHBondContact O-CB 3.33Å; Y168-A172 PolarHBondContact O-N 2.92Å; L169-A172 WeakPolarHBondContact O-CB 3.44Å; L169-A172 PolarHBondContact O-N 3.12Å; A172-S176 WeakPolarHBondContact O-CB 3.49Å; A172-S176 PolarHBondContact O-N 3.36Å; A172-S176 VanDerWaalsContact O-N 3.15Å; A172-S176 PolarHBondContact O-OG 2.87Å |
| 173 | L | 95.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 26.9 Ų | 26.9 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.8 | -46.9 | 177.4 | -64.6 | 175 | 0 | 0 | 0 | 112.2 | L169 V170 H171 Y177 F194 T198 | L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.07Å; V170-L173 PolarHBondContact O-N 2.92Å; H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 PolarHBondContact O-N 3.29Å; L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 2.99Å; L173-Y177 VanDerWaalsContact O-N 3.07Å; L173-F194 HydrophobicContact CD1-CE1 4.33Å; L173-T198 HydrophobicContact CD1-CG2 4.35Å |
| 174 | M | 95.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 28.4 Ų | 28.4 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -50.2 | -177.3 | -175.4 | -167.5 | 71.9 | 0 | 0 | 112.1 | V170 H171 Y177 Y178 I195 Q199 | V170-M174 WeakPolarHBondContact O-CB 2.96Å; V170-M174 PolarHBondContact O-N 3.4Å; H171-M174 PolarHBondContact O-N 3.44Å; M174-Y177 WeakPolarHBondContact O-CB 3.45Å; M174-Y177 PolarHBondContact O-N 3.34Å; M174-Y178 HydrophobicContact CE-CD2 4.4Å; M174-Y178 HydrophobicContact CE-CE2 3.81Å; M174-Y178 HydrophobicContact CG-CD2 4.1Å; M174-Y178 HydrophobicContact CG-CE1 4.3Å; M174-Y178 HydrophobicContact CG-CE2 3.46Å; M174-Y178 VanDerWaalsContact CG-CE2 3.46Å; M174-Y178 PolarHBondContact O-N 2.89Å; M174-Y178 HydrophobicContact SD-CE2 3.69Å; M174-I195 HydrophobicContact CB-CG2 4.23Å; M174-Q199 PolarHBondContact SD-NE2 2.72Å |
| 175 | Y | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71 | -33.5 | -179.4 | -76.5 | -62.9 | 0 | 0 | 0 | 112.5 | L67 D123 H171 Y177 Y178 A179 | L67-Y175 HydrophobicContact CB-CD1 3.89Å; L67-Y175 HydrophobicContact CB-CD2 3.76Å; L67-Y175 HydrophobicContact CB-CE1 4.1Å; L67-Y175 HydrophobicContact CB-CE2 3.95Å; L67-Y175 HydrophobicContact CB-CG 3.74Å; L67-Y175 HydrophobicContact CD1-CD1 4.06Å; L67-Y175 HydrophobicContact CD1-CE1 3.46Å; L67-Y175 VanDerWaalsContact CD1-CE1 3.46Å; L67-Y175 HydrophobicContact CD1-CE2 4.07Å; L67-Y175 VanDerWaalsContact CD1-CZ 3.48Å; L67-Y175 HydrophobicContact CG-CE1 4.44Å; D123-Y175 WeakPolarHBondContact OD2-CE1 3.07Å; D123-Y175 PolarHBondContact OD2-OH 3.48Å; H171-Y175 HydrophobicContact CB-CD2 4.01Å; H171-Y175 HydrophobicContact CB-CE2 4.15Å; H171-Y175 AromaticContact ND1-CE2 3.55Å; H171-Y175 WeakPolarHBondContact O-CB 3.25Å; H171-Y175 WeakPolarHBondContact O-CD2 3.26Å; H171-Y175 PolarHBondContact O-N 2.65Å; Y175-Y177 VanDerWaalsContact C-N 3.28Å; Y175-Y177 PolarHBondContact O-N 2.82Å; Y175-Y178 AromaticContact CD1-CD2 3.98Å; Y175-Y178 HydrophobicContact CD1-CD2 3.98Å; Y175-Y178 HydrophobicContact CE1-CD2 4.3Å; Y175-Y178 PolarHBondContact O-N 3.3Å; Y175-A179 WeakPolarHBondContact O-CB 3.46Å; Y175-A179 PolarHBondContact O-N 3.16Å |
| 176 | S | 95.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 171.2 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | A172 A180 | A172-S176 WeakPolarHBondContact O-CB 3.49Å; A172-S176 PolarHBondContact O-N 3.36Å; A172-S176 VanDerWaalsContact O-N 3.15Å; A172-S176 PolarHBondContact O-OG 2.87Å; S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.13Å |
| 177 | Y | 93.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.3 | 173.6 | -83.4 | 0 | 0 | 0 | 111.8 | L173 M174 Y175 A180 R181 V187 L191 A192 I195 T266 | L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 2.99Å; L173-Y177 VanDerWaalsContact O-N 3.07Å; M174-Y177 WeakPolarHBondContact O-CB 3.45Å; M174-Y177 PolarHBondContact O-N 3.34Å; Y175-Y177 VanDerWaalsContact C-N 3.28Å; Y175-Y177 PolarHBondContact O-N 2.82Å; Y177-A180 PolarHBondContact O-N 3.49Å; Y177-R181 HydrophobicContact CD1-CG 4.03Å; Y177-R181 HydrophobicContact CE1-CG 3.52Å; Y177-R181 HydrophobicContact CE2-CG 4.17Å; Y177-R181 HydrophobicContact CG-CG 4.49Å; Y177-R181 WeakPolarHBondContact O-CB 3.02Å; Y177-R181 VanDerWaalsContact O-CG 3.27Å; Y177-R181 WeakPolarHBondContact O-CG 3.06Å; Y177-R181 PolarHBondContact O-N 3.21Å; Y177-V187 HydrophobicContact CD2-CB 4.26Å; Y177-V187 HydrophobicContact CD2-CG1 3.58Å; Y177-V187 HydrophobicContact CE2-CB 3.81Å; Y177-V187 HydrophobicContact CE2-CG1 3.41Å; Y177-V187 VanDerWaalsContact CE2-CG1 3.41Å; Y177-V187 HydrophobicContact CE2-CG2 4.49Å; Y177-L191 HydrophobicContact CD2-CD2 4.26Å; Y177-L191 HydrophobicContact CD2-CG 4.33Å; Y177-A192 HydrophobicContact CE2-CB 4.02Å; Y177-I195 HydrophobicContact CD1-CD1 4.36Å; Y177-I195 HydrophobicContact CD2-CD1 3.58Å; Y177-I195 HydrophobicContact CE2-CD1 4.49Å; Y177-I195 HydrophobicContact CG-CD1 3.51Å; Y177-T266 HydrophobicContact CD1-CG2 4.26Å; Y177-T266 HydrophobicContact CE1-CG2 3.43Å; Y177-T266 VanDerWaalsContact CE1-CG2 3.43Å |
| 178 | Y | 90.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 30% | 0.302 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.9 | -66.1 | -22.1 | 0 | 0 | 0 | 112.9 | M174 Y175 R181 A182 T266 | M174-Y178 HydrophobicContact CE-CD2 4.4Å; M174-Y178 HydrophobicContact CE-CE2 3.81Å; M174-Y178 HydrophobicContact CG-CD2 4.1Å; M174-Y178 HydrophobicContact CG-CE1 4.3Å; M174-Y178 HydrophobicContact CG-CE2 3.46Å; M174-Y178 VanDerWaalsContact CG-CE2 3.46Å; M174-Y178 PolarHBondContact O-N 2.89Å; M174-Y178 HydrophobicContact SD-CE2 3.69Å; Y175-Y178 AromaticContact CD1-CD2 3.98Å; Y175-Y178 HydrophobicContact CD1-CD2 3.98Å; Y175-Y178 HydrophobicContact CE1-CD2 4.3Å; Y175-Y178 PolarHBondContact O-N 3.3Å; Y178-R181 PolarHBondContact O-N 2.97Å; Y178-A182 VanDerWaalsContact O-CB 3.24Å; Y178-A182 WeakPolarHBondContact O-CB 3.42Å; Y178-A182 PolarHBondContact O-N 3.47Å; Y178-T266 HydrophobicContact CE1-CG2 4.2Å |
| 179 | A | 92.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L65 Y175 R181 A182 A183 | L65-A179 HydrophobicContact CB-CB 4.25Å; Y175-A179 WeakPolarHBondContact O-CB 3.46Å; Y175-A179 PolarHBondContact O-N 3.16Å; A179-R181 PolarHBondContact O-N 3.48Å; A179-A182 PolarHBondContact O-N 3.1Å; A179-A183 WeakPolarHBondContact O-CB 3.35Å; A179-A183 PolarHBondContact O-N 3.39Å |
| 180 | A | 92.3 | Very high | 90.6 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S176 Y177 A183 G184 F185 V187 | S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.13Å; Y177-A180 PolarHBondContact O-N 3.49Å; A180-A183 PolarHBondContact O-N 2.98Å; A180-G184 PolarHBondContact O-N 3.45Å; A180-F185 HydrophobicContact CB-CB 4.48Å; A180-F185 HydrophobicContact CB-CD2 4.45Å; A180-F185 WeakPolarHBondContact O-CB 3.37Å; A180-F185 WeakPolarHBondContact O-CD2 3.44Å; A180-F185 PolarHBondContact O-N 3.44Å; A180-V187 HydrophobicContact CB-CG2 4.07Å |
| 181 | R | 86.4 | Confident | 90.2 | Very high | 54 Ų | 54 | 65 Ų | 65 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.3 | -73 | -66 | -64.7 | 159.8 | -5.8 | 112.1 | Y177 Y178 A179 A183 G184 F185 V187 A267 | Y177-R181 HydrophobicContact CD1-CG 4.03Å; Y177-R181 HydrophobicContact CE1-CG 3.52Å; Y177-R181 HydrophobicContact CE2-CG 4.17Å; Y177-R181 HydrophobicContact CG-CG 4.49Å; Y177-R181 WeakPolarHBondContact O-CB 3.02Å; Y177-R181 VanDerWaalsContact O-CG 3.27Å; Y177-R181 WeakPolarHBondContact O-CG 3.06Å; Y177-R181 PolarHBondContact O-N 3.21Å; Y178-R181 PolarHBondContact O-N 2.97Å; A179-R181 PolarHBondContact O-N 3.48Å; R181-A183 VanDerWaalsContact C-N 3.3Å; R181-A183 PolarHBondContact O-N 3.01Å; R181-G184 PolarHBondContact O-N 3.02Å; R181-G184 VanDerWaalsContact O-N 3.12Å; R181-F185 PolarHBondContact NH1-O 3.11Å; R181-V187 HydrophobicContact CG-CB 4.39Å; R181-V187 HydrophobicContact CG-CG2 3.98Å; R181-A267 VanDerWaalsContact NH2-CB 3.33Å |
| 182 | A | 88.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | R57 L60 V61 Y178 A179 G184 I270 | R57-A182 WeakPolarHBondContact CG-O 3.46Å; R57-A182 PolarHBondContact NE-O 3.5Å; L60-A182 HydrophobicContact CD2-CB 4.38Å; L60-A182 HydrophobicContact CG-CB 4.26Å; V61-A182 HydrophobicContact CB-CB 4.4Å; V61-A182 HydrophobicContact CG2-CB 3.45Å; V61-A182 VanDerWaalsContact CG2-CB 3.45Å; V61-A182 WeakPolarHBondContact CG2-O 3.46Å; Y178-A182 VanDerWaalsContact O-CB 3.24Å; Y178-A182 WeakPolarHBondContact O-CB 3.42Å; Y178-A182 PolarHBondContact O-N 3.47Å; A179-A182 PolarHBondContact O-N 3.1Å; A182-G184 PolarHBondContact O-N 3.49Å; A182-I270 HydrophobicContact CB-CD1 3.86Å |
| 183 | A | 90.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70 | -17.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R57 V61 A179 A180 R181 F185 | R57-A183 VanDerWaalsContact NH2-C 3.34Å; R57-A183 PolarHBondContact NH2-O 3.36Å; V61-A183 HydrophobicContact CG1-CB 4.36Å; V61-A183 HydrophobicContact CG2-CB 4.28Å; A179-A183 WeakPolarHBondContact O-CB 3.35Å; A179-A183 PolarHBondContact O-N 3.39Å; A180-A183 PolarHBondContact O-N 2.98Å; R181-A183 VanDerWaalsContact C-N 3.3Å; R181-A183 PolarHBondContact O-N 3.01Å; A183-F185 HydrophobicContact CB-CD2 3.79Å; A183-F185 HydrophobicContact CB-CE2 3.81Å |
| 184 | G | 87 | Confident | 89.1 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | 7.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A180 R181 A182 | A180-G184 PolarHBondContact O-N 3.45Å; R181-G184 PolarHBondContact O-N 3.02Å; R181-G184 VanDerWaalsContact O-N 3.12Å; A182-G184 PolarHBondContact O-N 3.49Å |
| 185 | F | 87.9 | Confident | 88.9 | Confident | 142 Ų | 142 | 69.1 Ų | 69.1 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | trans | -69.2 | 137.6 | 176 | -65.4 | -78.9 | 0 | 0 | 0 | 110.9 | A180 R181 A183 V187 | A180-F185 HydrophobicContact CB-CB 4.48Å; A180-F185 HydrophobicContact CB-CD2 4.45Å; A180-F185 WeakPolarHBondContact O-CB 3.37Å; A180-F185 WeakPolarHBondContact O-CD2 3.44Å; A180-F185 PolarHBondContact O-N 3.44Å; R181-F185 PolarHBondContact NH1-O 3.11Å; A183-F185 HydrophobicContact CB-CD2 3.79Å; A183-F185 HydrophobicContact CB-CE2 3.81Å; F185-V187 HydrophobicContact CB-CG2 4.47Å; F185-V187 PolarHBondContact O-N 3.29Å; F185-V187 VanDerWaalsContact O-N 3.11Å | ||
| 186 | R | 82.8 | Confident | 88.6 | Confident | 246 Ų | 246 | 69.2 Ų | 69.2 | 93% | 0.928 | 33% | 0.333 | S | S | * | . | trans | -79.1 | 92.5 | 173.1 | -67.9 | -175.5 | -179 | -178.2 | 0.9 | 109.1 | ||||
| 187 | V | 84.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 21% | 0.212 | 34% | 0.335 | C | S | . | . | trans | -87.3 | 139.1 | 177.6 | -168 | 0 | 0 | 0 | 0 | 110.5 | Y177 A180 R181 F185 L191 | Y177-V187 HydrophobicContact CD2-CB 4.26Å; Y177-V187 HydrophobicContact CD2-CG1 3.58Å; Y177-V187 HydrophobicContact CE2-CB 3.81Å; Y177-V187 HydrophobicContact CE2-CG1 3.41Å; Y177-V187 VanDerWaalsContact CE2-CG1 3.41Å; Y177-V187 HydrophobicContact CE2-CG2 4.49Å; A180-V187 HydrophobicContact CB-CG2 4.07Å; R181-V187 HydrophobicContact CG-CB 4.39Å; R181-V187 HydrophobicContact CG-CG2 3.98Å; F185-V187 HydrophobicContact CB-CG2 4.47Å; F185-V187 PolarHBondContact O-N 3.29Å; F185-V187 VanDerWaalsContact O-N 3.11Å; V187-L191 HydrophobicContact CG1-CB 4.11Å; V187-L191 HydrophobicContact CG1-CD2 3.52Å; V187-L191 HydrophobicContact CG1-CG 4.27Å | ||
| 188 | S | 85.2 | Confident | 88.6 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | trans | -68.1 | 147.5 | -175 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | R190 L191 A192 | S188-R190 PolarHBondContact O-N 2.81Å; S188-L191 PolarHBondContact O-N 3.47Å; S188-L191 VanDerWaalsContact O-N 3.16Å; S188-L191 PolarHBondContact OG-N 3.5Å; S188-A192 PolarHBondContact O-N 3.34Å | ||
| 189 | R | 82.4 | Confident | 88.8 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 59% | 0.592 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.2 | -32.1 | 173.4 | -174.6 | 177.9 | -179.4 | -166.1 | 0 | 112.1 | L191 A192 M193 A251 Y252 | R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 2.94Å; R189-A192 PolarHBondContact O-N 2.86Å; R189-M193 PolarHBondContact O-N 3.12Å; R189-A251 PolarHBondContact NH2-O 3.34Å; R189-A251 VanDerWaalsContact NH2-O 3.12Å; R189-Y252 HydrophobicContact CG-CE1 4.33Å |
| 190 | R | 86 | Confident | 88.9 | Confident | 216 Ų | 216 | 68.5 Ų | 68.5 | 82% | 0.815 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 176.6 | -64.1 | -176.9 | -172.9 | 167.8 | 1.5 | 111.6 | S188 M193 F194 | S188-R190 PolarHBondContact O-N 2.81Å; R190-M193 PolarHBondContact O-N 3.32Å; R190-F194 WeakPolarHBondContact O-CB 3.31Å; R190-F194 PolarHBondContact O-N 3.32Å |
| 191 | L | 87.9 | Confident | 89.1 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 177 | -171.7 | 59.7 | 0 | 0 | 0 | 111.9 | Y177 V187 S188 R189 M193 F194 I195 | Y177-L191 HydrophobicContact CD2-CD2 4.26Å; Y177-L191 HydrophobicContact CD2-CG 4.33Å; V187-L191 HydrophobicContact CG1-CB 4.11Å; V187-L191 HydrophobicContact CG1-CD2 3.52Å; V187-L191 HydrophobicContact CG1-CG 4.27Å; S188-L191 PolarHBondContact O-N 3.47Å; S188-L191 VanDerWaalsContact O-N 3.16Å; S188-L191 PolarHBondContact OG-N 3.5Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 2.94Å; L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 3.05Å; L191-F194 HydrophobicContact CD1-CD1 4.21Å; L191-F194 PolarHBondContact O-N 2.05Å; L191-I195 HydrophobicContact CG-CD1 4.2Å; L191-I195 VanDerWaalsContact O-CG1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 3.33Å; L191-I195 PolarHBondContact O-N 3.31Å |
| 192 | A | 86.4 | Confident | 89.6 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y177 S188 R189 I195 T196 Y252 T266 | Y177-A192 HydrophobicContact CE2-CB 4.02Å; S188-A192 PolarHBondContact O-N 3.34Å; R189-A192 PolarHBondContact O-N 2.86Å; A192-I195 PolarHBondContact O-N 2.92Å; A192-T196 PolarHBondContact O-N 3.12Å; A192-T196 VanDerWaalsContact O-N 3.08Å; A192-T196 PolarHBondContact O-OG1 2.88Å; A192-Y252 PolarHBondContact O-OH 3.05Å; A192-T266 HydrophobicContact CB-CG2 4.41Å |
| 193 | M | 87.6 | Confident | 90 | Very high | 64 Ų | 64 | 68.5 Ų | 68.5 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 174.6 | -173.9 | -173.4 | -70.8 | 0 | 0 | 111.2 | R189 R190 L191 I195 T196 L197 F248 Y252 | R189-M193 PolarHBondContact O-N 3.12Å; R190-M193 PolarHBondContact O-N 3.32Å; L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 3.05Å; M193-I195 VanDerWaalsContact C-N 3.35Å; M193-I195 PolarHBondContact O-N 3.5Å; M193-T196 PolarHBondContact O-N 3.03Å; M193-T196 VanDerWaalsContact O-N 3.16Å; M193-L197 HydrophobicContact CG-CD1 4.38Å; M193-L197 WeakPolarHBondContact O-CG 3.34Å; M193-L197 PolarHBondContact O-N 3.19Å; M193-F248 HydrophobicContact CG-CE2 3.75Å; M193-F248 HydrophobicContact CG-CZ 4.17Å; M193-Y252 HydrophobicContact CB-CD1 4.23Å; M193-Y252 HydrophobicContact CB-CE1 3.86Å; M193-Y252 HydrophobicContact CE-CD1 3.48Å; M193-Y252 VanDerWaalsContact CE-CD1 3.48Å; M193-Y252 HydrophobicContact CE-CE1 4.2Å; M193-Y252 HydrophobicContact CE-CG 3.9Å; M193-Y252 HydrophobicContact CG-CD1 4.24Å; M193-Y252 HydrophobicContact CG-CD2 4.49Å; M193-Y252 HydrophobicContact CG-CE1 4.32Å; M193-Y252 HydrophobicContact CG-CG 4.33Å; M193-Y252 PolarHBondContact N-OH 3.48Å |
| 194 | F | 92.8 | Very high | 90.3 | Very high | 107 Ų | 107 | 69.8 Ų | 69.8 | 47% | 0.469 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 176 | 175.4 | -101.9 | 0 | 0 | 0 | 112.1 | L173 R190 L191 T196 L197 T198 | L173-F194 HydrophobicContact CD1-CE1 4.33Å; R190-F194 WeakPolarHBondContact O-CB 3.31Å; R190-F194 PolarHBondContact O-N 3.32Å; L191-F194 HydrophobicContact CD1-CD1 4.21Å; L191-F194 PolarHBondContact O-N 2.05Å; F194-T196 VanDerWaalsContact C-N 3.31Å; F194-T196 PolarHBondContact O-N 3.25Å; F194-L197 WeakPolarHBondContact O-CB 3.25Å; F194-L197 PolarHBondContact O-N 2.66Å; F194-L197 VanDerWaalsContact O-N 3.16Å; F194-T198 HydrophobicContact CD1-CG2 4.32Å; F194-T198 HydrophobicContact CE1-CG2 3.86Å; F194-T198 HydrophobicContact CE2-CG2 4.13Å; F194-T198 HydrophobicContact CZ-CG2 3.76Å; F194-T198 WeakPolarHBondContact O-CG2 3.17Å; F194-T198 PolarHBondContact O-N 3.38Å |
| 195 | I | 90.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.8 | -66.9 | 163.7 | 0 | 0 | 0 | 111.5 | M174 Y177 L191 A192 M193 L197 T198 Q199 | M174-I195 HydrophobicContact CB-CG2 4.23Å; Y177-I195 HydrophobicContact CD1-CD1 4.36Å; Y177-I195 HydrophobicContact CD2-CD1 3.58Å; Y177-I195 HydrophobicContact CE2-CD1 4.49Å; Y177-I195 HydrophobicContact CG-CD1 3.51Å; L191-I195 HydrophobicContact CG-CD1 4.2Å; L191-I195 VanDerWaalsContact O-CG1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 3.33Å; L191-I195 PolarHBondContact O-N 3.31Å; A192-I195 PolarHBondContact O-N 2.92Å; M193-I195 VanDerWaalsContact C-N 3.35Å; M193-I195 PolarHBondContact O-N 3.5Å; I195-L197 VanDerWaalsContact C-N 3.31Å; I195-L197 PolarHBondContact O-N 2.74Å; I195-T198 WeakPolarHBondContact CA-OG1 3.43Å; I195-T198 PolarHBondContact O-N 2.89Å; I195-T198 PolarHBondContact O-OG1 3.41Å; I195-Q199 WeakPolarHBondContact O-CG 3.27Å; I195-Q199 PolarHBondContact O-N 3.49Å |
| 196 | T | 90.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.2 | -49.2 | 0 | 0 | 0 | 0 | 110.9 | A192 M193 F194 Q199 I200 F247 F248 Y252 | A192-T196 PolarHBondContact O-N 3.12Å; A192-T196 VanDerWaalsContact O-N 3.08Å; A192-T196 PolarHBondContact O-OG1 2.88Å; M193-T196 PolarHBondContact O-N 3.03Å; M193-T196 VanDerWaalsContact O-N 3.16Å; F194-T196 VanDerWaalsContact C-N 3.31Å; F194-T196 PolarHBondContact O-N 3.25Å; T196-Q199 WeakPolarHBondContact O-CB 3.46Å; T196-Q199 PolarHBondContact O-N 3.29Å; T196-I200 HydrophobicContact CG2-CD1 4.36Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 2.94Å; T196-F247 HydrophobicContact CG2-CD1 3.83Å; T196-F247 HydrophobicContact CG2-CE1 3.86Å; T196-F248 HydrophobicContact CG2-CB 4.25Å; T196-F248 HydrophobicContact CG2-CD2 3.85Å; T196-Y252 HydrophobicContact CG2-CE2 4.34Å; T196-Y252 PolarHBondContact OG1-OH 3.41Å |
| 197 | L | 93.8 | Very high | 91.8 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 174.6 | -69.7 | 172 | 0 | 0 | 0 | 112 | M193 F194 I195 Q199 I200 S201 F248 | M193-L197 HydrophobicContact CG-CD1 4.38Å; M193-L197 WeakPolarHBondContact O-CG 3.34Å; M193-L197 PolarHBondContact O-N 3.19Å; F194-L197 WeakPolarHBondContact O-CB 3.25Å; F194-L197 PolarHBondContact O-N 2.66Å; F194-L197 VanDerWaalsContact O-N 3.16Å; I195-L197 VanDerWaalsContact C-N 3.31Å; I195-L197 PolarHBondContact O-N 2.74Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.01Å; L197-I200 PolarHBondContact O-N 3.24Å; L197-S201 WeakPolarHBondContact O-CB 3.42Å; L197-S201 PolarHBondContact O-N 2.88Å; L197-S201 PolarHBondContact O-OG 3.38Å; L197-S201 VanDerWaalsContact O-OG 3.07Å; L197-F248 HydrophobicContact CD2-CD2 4.23Å; L197-F248 HydrophobicContact CD2-CE2 3.59Å; L197-F248 HydrophobicContact CD2-CZ 3.85Å; L197-F248 HydrophobicContact CG-CE2 3.83Å; L197-F248 HydrophobicContact CG-CZ 4.39Å |
| 198 | T | 94.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | L173 F194 I195 S201 Q202 | L173-T198 HydrophobicContact CD1-CG2 4.35Å; F194-T198 HydrophobicContact CD1-CG2 4.32Å; F194-T198 HydrophobicContact CE1-CG2 3.86Å; F194-T198 HydrophobicContact CE2-CG2 4.13Å; F194-T198 HydrophobicContact CZ-CG2 3.76Å; F194-T198 WeakPolarHBondContact O-CG2 3.17Å; F194-T198 PolarHBondContact O-N 3.38Å; I195-T198 WeakPolarHBondContact CA-OG1 3.43Å; I195-T198 PolarHBondContact O-N 2.89Å; I195-T198 PolarHBondContact O-OG1 3.41Å; T198-S201 PolarHBondContact O-N 3.47Å; T198-Q202 WeakPolarHBondContact O-CB 3.17Å; T198-Q202 PolarHBondContact O-N 3.5Å |
| 199 | Q | 94.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 172 | -73.8 | 171.9 | -16.3 | 0 | 0 | 112.4 | V170 M174 I195 T196 L197 Q202 M203 F244 | V170-Q199 HydrophobicContact CG1-CB 4.43Å; V170-Q199 HydrophobicContact CG1-CG 3.41Å; V170-Q199 VanDerWaalsContact CG1-CG 3.41Å; M174-Q199 PolarHBondContact SD-NE2 2.72Å; I195-Q199 WeakPolarHBondContact O-CG 3.27Å; I195-Q199 PolarHBondContact O-N 3.49Å; T196-Q199 WeakPolarHBondContact O-CB 3.46Å; T196-Q199 PolarHBondContact O-N 3.29Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.01Å; Q199-Q202 WeakPolarHBondContact O-CB 3.47Å; Q199-Q202 PolarHBondContact O-N 3.03Å; Q199-M203 WeakPolarHBondContact O-CG 3.26Å; Q199-M203 PolarHBondContact O-N 2.87Å; Q199-F244 HydrophobicContact CB-CD1 4.25Å; Q199-F244 HydrophobicContact CB-CE1 4.14Å; Q199-F244 HydrophobicContact CB-CZ 4.49Å; Q199-F244 HydrophobicContact CG-CE1 4.45Å |
| 200 | I | 94.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 176.2 | -68.4 | 162.9 | 0 | 0 | 0 | 110.6 | T196 L197 Q202 M203 V204 F241 F244 L245 F248 | T196-I200 HydrophobicContact CG2-CD1 4.36Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 2.94Å; L197-I200 PolarHBondContact O-N 3.24Å; I200-Q202 VanDerWaalsContact C-N 3.26Å; I200-Q202 PolarHBondContact O-N 3.26Å; I200-M203 WeakPolarHBondContact O-CB 3.49Å; I200-M203 PolarHBondContact O-N 3.38Å; I200-V204 PolarHBondContact O-N 2.87Å; I200-F241 HydrophobicContact CG2-CD2 4.11Å; I200-F241 HydrophobicContact CG2-CE2 3.88Å; I200-F244 HydrophobicContact CG1-CB 3.8Å; I200-L245 HydrophobicContact CD1-CD2 4.26Å; I200-L245 HydrophobicContact CG2-CD2 4.14Å; I200-F248 HydrophobicContact CD1-CB 3.84Å; I200-F248 HydrophobicContact CD1-CD2 4.11Å; I200-F248 HydrophobicContact CD1-CG 4.06Å |
| 201 | S | 96.6 | Very high | 94 | Very high | 67 Ų | 67 | 43 Ų | 43 | 47% | 0.469 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.7 | -38.7 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 112 | L197 T198 M203 V204 V205 | L197-S201 WeakPolarHBondContact O-CB 3.42Å; L197-S201 PolarHBondContact O-N 2.88Å; L197-S201 PolarHBondContact O-OG 3.38Å; L197-S201 VanDerWaalsContact O-OG 3.07Å; T198-S201 PolarHBondContact O-N 3.47Å; S201-M203 VanDerWaalsContact C-N 3.27Å; S201-M203 PolarHBondContact O-N 3.26Å; S201-V204 PolarHBondContact O-N 3.41Å; S201-V205 WeakPolarHBondContact O-CG2 3.26Å; S201-V205 PolarHBondContact O-N 3.48Å |
| 202 | Q | 97.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 173.2 | -179.1 | -164.8 | -55.8 | 0 | 0 | 111.4 | M166 V170 T198 Q199 I200 V205 G206 | M166-Q202 HydrophobicContact CB-CG 4.31Å; M166-Q202 HydrophobicContact CE-CG 3.7Å; M166-Q202 HydrophobicContact CG-CG 3.74Å; M166-Q202 HydrophobicContact SD-CG 3.89Å; V170-Q202 HydrophobicContact CG2-CB 4.11Å; V170-Q202 HydrophobicContact CG2-CG 4.45Å; V170-Q202 VanDerWaalsContact CG2-OE1 3.23Å; T198-Q202 WeakPolarHBondContact O-CB 3.17Å; T198-Q202 PolarHBondContact O-N 3.5Å; Q199-Q202 WeakPolarHBondContact O-CB 3.47Å; Q199-Q202 PolarHBondContact O-N 3.03Å; I200-Q202 VanDerWaalsContact C-N 3.26Å; I200-Q202 PolarHBondContact O-N 3.26Å; Q202-V205 PolarHBondContact O-N 2.86Å; Q202-G206 PolarHBondContact O-N 3.05Å |
| 203 | M | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.4 | -56.3 | -54.2 | 133.2 | 0 | 0 | 112.3 | Q199 I200 S201 G206 C207 Y237 Y240 F241 | Q199-M203 WeakPolarHBondContact O-CG 3.26Å; Q199-M203 PolarHBondContact O-N 2.87Å; I200-M203 WeakPolarHBondContact O-CB 3.49Å; I200-M203 PolarHBondContact O-N 3.38Å; S201-M203 VanDerWaalsContact C-N 3.27Å; S201-M203 PolarHBondContact O-N 3.26Å; M203-G206 PolarHBondContact O-N 3.07Å; M203-C207 PolarHBondContact O-N 3.14Å; M203-C207 PolarHBondContact O-SG 3Å; M203-C207 VanDerWaalsContact O-SG 3.4Å; M203-Y237 HydrophobicContact CB-CD1 4.49Å; M203-Y237 HydrophobicContact SD-CD1 3.55Å; M203-Y237 VanDerWaalsContact SD-CD1 3.55Å; M203-Y237 HydrophobicContact SD-CE1 3.91Å; M203-Y240 HydrophobicContact CE-CD2 4.28Å; M203-Y240 WeakPolarHBondContact SD-CB 3.16Å; M203-Y240 HydrophobicContact SD-CD2 3.7Å; M203-Y240 HydrophobicContact SD-CG 4.11Å; M203-F241 HydrophobicContact CB-CB 3.8Å; M203-F241 HydrophobicContact CB-CD2 4.22Å; M203-F241 HydrophobicContact CG-CB 4.44Å |
| 204 | V | 96.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 42% | 0.418 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | I200 S201 G206 C207 V208 F241 | I200-V204 PolarHBondContact O-N 2.87Å; S201-V204 PolarHBondContact O-N 3.41Å; V204-G206 VanDerWaalsContact C-N 3.27Å; V204-G206 PolarHBondContact O-N 3.03Å; V204-C207 PolarHBondContact O-N 3.38Å; V204-V208 WeakPolarHBondContact O-CG2 3.38Å; V204-V208 PolarHBondContact O-N 3.41Å; V204-F241 HydrophobicContact CG2-CD2 3.91Å; V204-F241 HydrophobicContact CG2-CE2 3.52Å; V204-F241 HydrophobicContact CG2-CZ 4.35Å |
| 205 | V | 96.8 | Very high | 95.2 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | M166 S201 Q202 C207 V208 V209 | M166-V205 HydrophobicContact SD-CB 4.44Å; M166-V205 HydrophobicContact SD-CG1 4.09Å; S201-V205 WeakPolarHBondContact O-CG2 3.26Å; S201-V205 PolarHBondContact O-N 3.48Å; Q202-V205 PolarHBondContact O-N 2.86Å; V205-C207 PolarHBondContact O-N 2.7Å; V205-V208 PolarHBondContact O-N 3.05Å; V205-V209 HydrophobicContact CG1-CG2 4.33Å; V205-V209 WeakPolarHBondContact O-CG2 3.45Å; V205-V209 PolarHBondContact O-N 2.65Å |
| 206 | G | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q202 M203 V204 V209 N210 | Q202-G206 PolarHBondContact O-N 3.05Å; M203-G206 PolarHBondContact O-N 3.07Å; V204-G206 VanDerWaalsContact C-N 3.27Å; V204-G206 PolarHBondContact O-N 3.03Å; G206-V209 PolarHBondContact O-N 3.1Å; G206-N210 PolarHBondContact O-N 3.25Å; G206-N210 PolarHBondContact O-ND2 3.35Å |
| 207 | C | 96.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 30% | 0.297 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.2 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | M203 V204 V205 N210 Y211 | M203-C207 PolarHBondContact O-N 3.14Å; M203-C207 PolarHBondContact O-SG 3Å; M203-C207 VanDerWaalsContact O-SG 3.4Å; V204-C207 PolarHBondContact O-N 3.38Å; V205-C207 PolarHBondContact O-N 2.7Å; C207-N210 PolarHBondContact O-N 3.07Å; C207-Y211 PolarHBondContact O-N 3.15Å |
| 208 | V | 96.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 43 Ų | 43 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111 | V204 V205 N210 Y211 L212 | V204-V208 WeakPolarHBondContact O-CG2 3.38Å; V204-V208 PolarHBondContact O-N 3.41Å; V205-V208 PolarHBondContact O-N 3.05Å; V208-N210 VanDerWaalsContact C-N 3.35Å; V208-N210 PolarHBondContact O-N 2.82Å; V208-Y211 PolarHBondContact O-N 3.18Å; V208-L212 HydrophobicContact CG1-CD1 4.01Å; V208-L212 HydrophobicContact CG1-CG 4.28Å; V208-L212 WeakPolarHBondContact O-CB 3.26Å; V208-L212 VanDerWaalsContact O-CG 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 3.43Å |
| 209 | V | 96.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | V95 W162 F163 V205 G206 Y211 L212 V213 | V95-V209 HydrophobicContact CG1-CG1 4.29Å; W162-V209 HydrophobicContact CB-CG1 4.31Å; W162-V209 HydrophobicContact CB-CG2 4.02Å; W162-V209 HydrophobicContact CG-CG2 4.2Å; F163-V209 HydrophobicContact CE1-CB 3.99Å; F163-V209 HydrophobicContact CE1-CG1 3.9Å; F163-V209 HydrophobicContact CE2-CG1 4.21Å; F163-V209 HydrophobicContact CZ-CB 4.15Å; F163-V209 HydrophobicContact CZ-CG1 3.68Å; V205-V209 HydrophobicContact CG1-CG2 4.33Å; V205-V209 WeakPolarHBondContact O-CG2 3.45Å; V205-V209 PolarHBondContact O-N 2.65Å; G206-V209 PolarHBondContact O-N 3.1Å; V209-Y211 PolarHBondContact O-N 2.96Å; V209-L212 PolarHBondContact O-N 2.86Å; V209-V213 HydrophobicContact CG1-CG2 4.37Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 3.39Å |
| 210 | N | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.6 | -83.7 | -45.1 | 0 | 0 | 0 | 112.7 | F163 G206 C207 V208 L212 V213 Y214 S233 | F163-N210 WeakPolarHBondContact CZ-OD1 3.36Å; G206-N210 PolarHBondContact O-N 3.25Å; G206-N210 PolarHBondContact O-ND2 3.35Å; C207-N210 PolarHBondContact O-N 3.07Å; V208-N210 VanDerWaalsContact C-N 3.35Å; V208-N210 PolarHBondContact O-N 2.82Å; N210-L212 VanDerWaalsContact C-N 3.34Å; N210-L212 PolarHBondContact O-N 3.15Å; N210-V213 PolarHBondContact O-N 3.41Å; N210-Y214 WeakPolarHBondContact O-CB 3.33Å; N210-Y214 PolarHBondContact O-N 3.24Å; N210-S233 PolarHBondContact ND2-OG 3.2Å; N210-S233 VanDerWaalsContact OD1-CB 3.27Å; N210-S233 WeakPolarHBondContact OD1-CB 3.2Å; N210-S233 PolarHBondContact OD1-OG 3.09Å |
| 211 | Y | 95.5 | Very high | 93.6 | Very high | 151 Ų | 151 | 53.8 Ų | 53.8 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 175.9 | 169.9 | -101.6 | 0 | 0 | 0 | 112 | C207 V208 V209 Y214 S215 | C207-Y211 PolarHBondContact O-N 3.15Å; V208-Y211 PolarHBondContact O-N 3.18Å; V209-Y211 PolarHBondContact O-N 2.96Å; Y211-Y214 PolarHBondContact O-N 3.12Å; Y211-S215 VanDerWaalsContact O-CB 3.28Å; Y211-S215 WeakPolarHBondContact O-CB 3.46Å; Y211-S215 PolarHBondContact O-N 3.44Å |
| 212 | L | 95.6 | Very high | 92.8 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 178.4 | -73 | 177.7 | 0 | 0 | 0 | 111.9 | L91 V208 V209 N210 Y214 S215 W216 | L91-L212 HydrophobicContact CD2-CD1 4.31Å; V208-L212 HydrophobicContact CG1-CD1 4.01Å; V208-L212 HydrophobicContact CG1-CG 4.28Å; V208-L212 WeakPolarHBondContact O-CB 3.26Å; V208-L212 VanDerWaalsContact O-CG 3.29Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 3.43Å; V209-L212 PolarHBondContact O-N 2.86Å; N210-L212 VanDerWaalsContact C-N 3.34Å; N210-L212 PolarHBondContact O-N 3.15Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 3.5Å; L212-S215 PolarHBondContact O-N 3.14Å; L212-W216 HydrophobicContact CB-CE3 3.91Å; L212-W216 HydrophobicContact CB-CH2 4.06Å; L212-W216 HydrophobicContact CB-CZ3 3.56Å; L212-W216 HydrophobicContact CD1-CH2 3.99Å; L212-W216 HydrophobicContact CD1-CZ3 4.14Å; L212-W216 HydrophobicContact CD2-CH2 3.89Å; L212-W216 HydrophobicContact CD2-CZ2 4.11Å; L212-W216 HydrophobicContact CD2-CZ3 4.28Å; L212-W216 HydrophobicContact CG-CH2 4.2Å; L212-W216 HydrophobicContact CG-CZ3 4.21Å; L212-W216 VanDerWaalsContact O-CE3 3.31Å; L212-W216 PolarHBondContact O-N 3.25Å |
| 213 | V | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | V95 A158 V209 N210 M217 I230 | V95-V213 HydrophobicContact CG1-CG2 3.46Å; V95-V213 VanDerWaalsContact CG1-CG2 3.46Å; A158-V213 HydrophobicContact CB-CG1 4.05Å; A158-V213 HydrophobicContact CB-CG2 4.18Å; V209-V213 HydrophobicContact CG1-CG2 4.37Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 3.39Å; N210-V213 PolarHBondContact O-N 3.41Å; V213-M217 WeakPolarHBondContact O-CB 3.4Å; V213-M217 PolarHBondContact O-N 3.45Å; V213-I230 HydrophobicContact CG1-CD1 3.83Å; V213-I230 HydrophobicContact CG1-CG1 4.12Å |
| 214 | Y | 94.8 | Very high | 91.9 | Very high | 103 Ų | 103 | 55.6 Ų | 55.6 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 177.5 | -179.5 | -103.3 | 0 | 0 | 0 | 112.3 | N210 Y211 L212 W216 M217 Q218 I230 | N210-Y214 WeakPolarHBondContact O-CB 3.33Å; N210-Y214 PolarHBondContact O-N 3.24Å; Y211-Y214 PolarHBondContact O-N 3.12Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 3.5Å; Y214-W216 PolarHBondContact O-N 2.82Å; Y214-M217 HydrophobicContact CD2-CE 4.26Å; Y214-M217 PolarHBondContact O-N 2.93Å; Y214-Q218 HydrophobicContact CD1-CG 4.42Å; Y214-Q218 HydrophobicContact CD2-CG 4.45Å; Y214-Q218 HydrophobicContact CE1-CG 4.06Å; Y214-Q218 HydrophobicContact CE2-CG 4.09Å; Y214-Q218 VanDerWaalsContact O-CG 3.31Å; Y214-Q218 WeakPolarHBondContact O-CG 2.99Å; Y214-Q218 PolarHBondContact O-N 2.99Å; Y214-I230 HydrophobicContact CD2-CD1 4.41Å |
| 215 | S | 94.7 | Very high | 91.6 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | -178.4 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | Y211 L212 Q218 R219 | Y211-S215 VanDerWaalsContact O-CB 3.28Å; Y211-S215 WeakPolarHBondContact O-CB 3.46Å; Y211-S215 PolarHBondContact O-N 3.44Å; L212-S215 PolarHBondContact O-N 3.14Å; S215-Q218 PolarHBondContact O-N 2.85Å; S215-R219 VanDerWaalsContact O-CG 3.26Å; S215-R219 WeakPolarHBondContact O-CG 3.34Å; S215-R219 PolarHBondContact O-N 3.22Å; S215-R219 VanDerWaalsContact O-N 3.15Å; S215-R219 PolarHBondContact OG-NE 2.85Å |
| 216 | W | 94.4 | Very high | 91.3 | Very high | 33 Ų | 33 | 55 Ų | 55 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73 | -32.7 | 179.2 | -71.4 | -45.1 | 0 | 0 | 0 | 113.4 | L91 Q92 V95 L212 Y214 R219 G220 A221 C223 | L91-W216 HydrophobicContact CD2-CH2 4.29Å; L91-W216 HydrophobicContact CG-CH2 4.1Å; Q92-W216 VanDerWaalsContact CA-CH2 3.49Å; Q92-W216 HydrophobicContact CB-CD2 4.26Å; Q92-W216 HydrophobicContact CB-CE3 4.42Å; Q92-W216 HydrophobicContact CB-CH2 3.94Å; Q92-W216 HydrophobicContact CB-CZ2 3.72Å; Q92-W216 HydrophobicContact CB-CZ3 4.27Å; Q92-W216 HydrophobicContact CG-CD2 3.75Å; Q92-W216 HydrophobicContact CG-CE3 4.07Å; Q92-W216 HydrophobicContact CG-CG 4.1Å; Q92-W216 HydrophobicContact CG-CH2 4.45Å; Q92-W216 HydrophobicContact CG-CZ2 4.14Å; Q92-W216 HydrophobicContact CG-CZ3 4.4Å; V95-W216 HydrophobicContact CB-CE3 4.34Å; V95-W216 HydrophobicContact CB-CZ3 3.65Å; V95-W216 HydrophobicContact CG1-CE3 4.17Å; V95-W216 HydrophobicContact CG1-CZ3 3.79Å; V95-W216 HydrophobicContact CG2-CZ3 3.94Å; L212-W216 HydrophobicContact CB-CE3 3.91Å; L212-W216 HydrophobicContact CB-CH2 4.06Å; L212-W216 HydrophobicContact CB-CZ3 3.56Å; L212-W216 HydrophobicContact CD1-CH2 3.99Å; L212-W216 HydrophobicContact CD1-CZ3 4.14Å; L212-W216 HydrophobicContact CD2-CH2 3.89Å; L212-W216 HydrophobicContact CD2-CZ2 4.11Å; L212-W216 HydrophobicContact CD2-CZ3 4.28Å; L212-W216 HydrophobicContact CG-CH2 4.2Å; L212-W216 HydrophobicContact CG-CZ3 4.21Å; L212-W216 VanDerWaalsContact O-CE3 3.31Å; L212-W216 PolarHBondContact O-N 3.25Å; Y214-W216 PolarHBondContact O-N 2.82Å; W216-R219 PolarHBondContact O-N 3.42Å; W216-G220 PolarHBondContact O-N 2.78Å; W216-A221 HydrophobicContact CB-CB 4.28Å; W216-A221 WeakPolarHBondContact O-CB 3.31Å; W216-A221 PolarHBondContact O-N 2.97Å; W216-C223 HydrophobicContact CB-CB 4.32Å |
| 217 | M | 92.4 | Very high | 91 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 171.8 | -173 | -179.3 | 73.5 | 0 | 0 | 111.1 | V213 Y214 R219 G220 C223 V227 I230 | V213-M217 WeakPolarHBondContact O-CB 3.4Å; V213-M217 PolarHBondContact O-N 3.45Å; Y214-M217 HydrophobicContact CD2-CE 4.26Å; Y214-M217 PolarHBondContact O-N 2.93Å; M217-R219 VanDerWaalsContact C-N 3.32Å; M217-R219 PolarHBondContact O-N 3.44Å; M217-G220 PolarHBondContact O-N 3.27Å; M217-C223 HydrophobicContact CB-CB 4.31Å; M217-V227 HydrophobicContact CE-CG2 3.56Å; M217-I230 HydrophobicContact CE-CD1 3.79Å; M217-I230 HydrophobicContact SD-CD1 4.06Å |
| 218 | Q | 90.2 | Very high | 90.8 | Very high | 110 Ų | 110 | 61.6 Ų | 61.6 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.3 | -29.5 | 178.7 | -66.4 | -62.1 | -13.7 | 0 | 0 | 113.5 | Y214 S215 G220 | Y214-Q218 HydrophobicContact CD1-CG 4.42Å; Y214-Q218 HydrophobicContact CD2-CG 4.45Å; Y214-Q218 HydrophobicContact CE1-CG 4.06Å; Y214-Q218 HydrophobicContact CE2-CG 4.09Å; Y214-Q218 VanDerWaalsContact O-CG 3.31Å; Y214-Q218 WeakPolarHBondContact O-CG 2.99Å; Y214-Q218 PolarHBondContact O-N 2.99Å; S215-Q218 PolarHBondContact O-N 2.85Å; Q218-G220 PolarHBondContact O-N 3.25Å |
| 219 | R | 90.6 | Very high | 90.7 | Very high | 181 Ų | 181 | 58 Ų | 58 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.4 | 177.4 | -68.7 | 172.4 | -170.9 | -157.5 | 0.1 | 113.7 | S215 W216 M217 A221 | S215-R219 VanDerWaalsContact O-CG 3.26Å; S215-R219 WeakPolarHBondContact O-CG 3.34Å; S215-R219 PolarHBondContact O-N 3.22Å; S215-R219 VanDerWaalsContact O-N 3.15Å; S215-R219 PolarHBondContact OG-NE 2.85Å; W216-R219 PolarHBondContact O-N 3.42Å; M217-R219 VanDerWaalsContact C-N 3.32Å; M217-R219 PolarHBondContact O-N 3.44Å; R219-A221 PolarHBondContact O-N 3.15Å |
| 220 | G | 82.2 | Confident | 90.6 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 19 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | W216 M217 Q218 G222 | W216-G220 PolarHBondContact O-N 2.78Å; M217-G220 PolarHBondContact O-N 3.27Å; Q218-G220 PolarHBondContact O-N 3.25Å; G220-G222 PolarHBondContact O-N 3.5Å; G220-G222 VanDerWaalsContact O-N 3.12Å |
| 221 | A | 75.9 | Confident | 90.5 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -85.2 | 21.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q92 W216 R219 | Q92-A221 VanDerWaalsContact NE2-CB 3.29Å; Q92-A221 PolarHBondContact NE2-O 2.92Å; W216-A221 HydrophobicContact CB-CB 4.28Å; W216-A221 WeakPolarHBondContact O-CB 3.31Å; W216-A221 PolarHBondContact O-N 2.97Å; R219-A221 PolarHBondContact O-N 3.15Å |
| 222 | G | 79.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | trans | 66.4 | 61.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G220 | G220-G222 PolarHBondContact O-N 3.5Å; G220-G222 VanDerWaalsContact O-N 3.12Å | ||
| 223 | C | 87.6 | Confident | 90.5 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | trans | -117 | 92.9 | 176.4 | -149.3 | 0 | 0 | 0 | 0 | 110.2 | C96 A158 W216 M217 S225 | C96-C223 VanDerWaalsContact CA-SG 3.53Å; C96-C223 HydrophobicContact CB-CB 3.83Å; C96-C223 WeakPolarHBondContact CB-SG 3.4Å; C96-C223 WeakPolarHBondContact SG-CB 3.4Å; C96-C223 CovalentContact SG-SG 2.05Å; C96-C223 PolarHBondContact SG-SG 2.84Å; A158-C223 VanDerWaalsContact CB-SG 3.58Å; W216-C223 HydrophobicContact CB-CB 4.32Å; M217-C223 HydrophobicContact CB-CB 4.31Å; C223-S225 PolarHBondContact O-N 2.94Å | ||
| 224 | P | 86.4 | Confident | 90.5 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | trans | -68.9 | 100.6 | -174.6 | 27.1 | -33.8 | 0 | 0 | 0 | 110.8 | C96 Q98 A158 | C96-P224 WeakPolarHBondContact O-CD 3.43Å; Q98-P224 HydrophobicContact CG-CB 4.34Å; Q98-P224 HydrophobicContact CG-CG 3.44Å; Q98-P224 VanDerWaalsContact CG-CG 3.44Å; A158-P224 WeakPolarHBondContact CB-O 3.29Å; A158-P224 PolarHBondContact N-O 3.3Å | ||
| 225 | S | 89.3 | Confident | 90.6 | Very high | 18 Ų | 18 | 60 Ų | 60 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | trans | -155.1 | 174.2 | 175.8 | -166 | 0 | 0 | 0 | 0 | 110.2 | C223 | C223-S225 PolarHBondContact O-N 2.94Š| ||
| 226 | H | 90.9 | Very high | 90.6 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | trans | -120.1 | 136.5 | 178 | -59.3 | -61.6 | 0 | 0 | 0 | 110.2 | D155 H228 N229 I230 | D155-H226 IonicContact OD2-CD2 3.95Å; H226-H228 PolarHBondContact O-N 3.22Å; H226-H228 VanDerWaalsContact O-N 3.16Å; H226-N229 HydrophobicContact CB-CB 4.31Å; H226-N229 WeakPolarHBondContact O-CA 3.28Å; H226-N229 WeakPolarHBondContact O-CB 3.41Å; H226-N229 PolarHBondContact O-N 3.33Å; H226-I230 PolarHBondContact O-N 3.49Å | ||
| 227 | V | 90.9 | Very high | 90.7 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.5 | -43.2 | 177.4 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | M217 N229 I230 V231 | M217-V227 HydrophobicContact CE-CG2 3.56Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 2.84Å; V227-I230 PolarHBondContact O-N 2.93Å; V227-V231 HydrophobicContact CG1-CG2 4.3Å; V227-V231 VanDerWaalsContact O-CG2 3.31Å; V227-V231 WeakPolarHBondContact O-CG2 3.21Å; V227-V231 PolarHBondContact O-N 2.83Å |
| 228 | H | 92.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.2 | -167 | -114.6 | 0 | 0 | 0 | 112.4 | Y151 H226 V231 W232 | Y151-H228 PolarHBondContact OH-ND1 3.41Å; H226-H228 PolarHBondContact O-N 3.22Å; H226-H228 VanDerWaalsContact O-N 3.16Å; H228-V231 PolarHBondContact O-N 2.93Å; H228-W232 AromaticContact CD2-NE1 3.42Å; H228-W232 PolarHBondContact CD2-NE1 3.03Å; H228-W232 AromaticContact CE1-CD1 3.59Å; H228-W232 AromaticContact CE1-CE2 3.9Å; H228-W232 AromaticContact CE1-NE1 2.83Å; H228-W232 PolarHBondContact CE1-NE1 2.88Å; H228-W232 AromaticContact CG-CD1 3.85Å; H228-W232 AromaticContact CG-NE1 3.56Å; H228-W232 AromaticContact ND1-CD1 3.46Å; H228-W232 AromaticContact ND1-NE1 3.18Å; H228-W232 PolarHBondContact ND1-NE1 3.49Å; H228-W232 VanDerWaalsContact ND1-NE1 3.18Å; H228-W232 AromaticContact NE2-CD1 3.95Å; H228-W232 AromaticContact NE2-CE2 3.74Å; H228-W232 AromaticContact NE2-CZ2 3.96Å; H228-W232 AromaticContact NE2-NE1 2.93Å; H228-W232 PolarHBondContact NE2-NE1 2.84Å; H228-W232 PolarHBondContact O-N 3.41Å |
| 229 | N | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 177.1 | -170.6 | -70.3 | 0 | 0 | 0 | 111.3 | Y148 Y151 S152 V157 H226 V227 V231 W232 S233 | Y148-N229 PolarHBondContact OH-OD1 2.91Å; Y151-N229 HydrophobicContact CE1-CB 4.22Å; Y151-N229 WeakPolarHBondContact CE1-ND2 3.46Å; S152-N229 WeakPolarHBondContact CB-ND2 3.23Å; S152-N229 PolarHBondContact OG-ND2 2.61Å; V157-N229 HydrophobicContact CG1-CB 4.24Å; H226-N229 HydrophobicContact CB-CB 4.31Å; H226-N229 WeakPolarHBondContact O-CA 3.28Å; H226-N229 WeakPolarHBondContact O-CB 3.41Å; H226-N229 PolarHBondContact O-N 3.33Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 2.84Å; N229-V231 VanDerWaalsContact C-N 3.3Å; N229-V231 PolarHBondContact O-N 3.4Å; N229-W232 PolarHBondContact O-N 3.11Å; N229-S233 WeakPolarHBondContact O-CB 3.47Å; N229-S233 PolarHBondContact O-N 3.1Å |
| 230 | I | 93.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -42 | 176.5 | -61.6 | 169 | 0 | 0 | 0 | 110.9 | V213 Y214 M217 H226 V227 S233 S234 | V213-I230 HydrophobicContact CG1-CD1 3.83Å; V213-I230 HydrophobicContact CG1-CG1 4.12Å; Y214-I230 HydrophobicContact CD2-CD1 4.41Å; M217-I230 HydrophobicContact CE-CD1 3.79Å; M217-I230 HydrophobicContact SD-CD1 4.06Å; H226-I230 PolarHBondContact O-N 3.49Å; V227-I230 PolarHBondContact O-N 2.93Å; I230-S233 PolarHBondContact O-N 3.19Å; I230-S234 VanDerWaalsContact O-CB 3.26Å; I230-S234 WeakPolarHBondContact O-CB 3.31Å; I230-S234 PolarHBondContact O-N 3.32Å; I230-S234 PolarHBondContact O-OG 3.29Å |
| 231 | V | 95 | Very high | 92 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | V227 H228 N229 S233 S234 L235 | V227-V231 HydrophobicContact CG1-CG2 4.3Å; V227-V231 VanDerWaalsContact O-CG2 3.31Å; V227-V231 WeakPolarHBondContact O-CG2 3.21Å; V227-V231 PolarHBondContact O-N 2.83Å; H228-V231 PolarHBondContact O-N 2.93Å; N229-V231 VanDerWaalsContact C-N 3.3Å; N229-V231 PolarHBondContact O-N 3.4Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 3.01Å; V231-S234 PolarHBondContact O-N 3.18Å; V231-L235 HydrophobicContact CG1-CD1 3.99Å; V231-L235 HydrophobicContact CG1-CG 4.46Å; V231-L235 WeakPolarHBondContact O-CB 3.23Å; V231-L235 WeakPolarHBondContact O-CG 3.3Å; V231-L235 PolarHBondContact O-N 2.84Å |
| 232 | W | 95.1 | Very high | 93 | Very high | 127 Ų | 127 | 50.8 Ų | 50.8 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 178.2 | -69.7 | 119.4 | 0 | 0 | 0 | 112.8 | H228 N229 L235 M236 | H228-W232 AromaticContact CD2-NE1 3.42Å; H228-W232 PolarHBondContact CD2-NE1 3.03Å; H228-W232 AromaticContact CE1-CD1 3.59Å; H228-W232 AromaticContact CE1-CE2 3.9Å; H228-W232 AromaticContact CE1-NE1 2.83Å; H228-W232 PolarHBondContact CE1-NE1 2.88Å; H228-W232 AromaticContact CG-CD1 3.85Å; H228-W232 AromaticContact CG-NE1 3.56Å; H228-W232 AromaticContact ND1-CD1 3.46Å; H228-W232 AromaticContact ND1-NE1 3.18Å; H228-W232 PolarHBondContact ND1-NE1 3.49Å; H228-W232 VanDerWaalsContact ND1-NE1 3.18Å; H228-W232 AromaticContact NE2-CD1 3.95Å; H228-W232 AromaticContact NE2-CE2 3.74Å; H228-W232 AromaticContact NE2-CZ2 3.96Å; H228-W232 AromaticContact NE2-NE1 2.93Å; H228-W232 PolarHBondContact NE2-NE1 2.84Å; H228-W232 PolarHBondContact O-N 3.41Å; N229-W232 PolarHBondContact O-N 3.11Å; W232-L235 HydrophobicContact CE3-CD1 4Å; W232-L235 HydrophobicContact CZ3-CD1 4.07Å; W232-M236 VanDerWaalsContact O-CB 3.29Å; W232-M236 WeakPolarHBondContact O-CB 3.33Å; W232-M236 PolarHBondContact O-N 2.88Å |
| 233 | S | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 174.7 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | Y148 N210 N229 I230 V231 L235 M236 Y237 | Y148-S233 WeakPolarHBondContact OH-CB 3.48Å; Y148-S233 PolarHBondContact OH-OG 3.46Å; N210-S233 PolarHBondContact ND2-OG 3.2Å; N210-S233 VanDerWaalsContact OD1-CB 3.27Å; N210-S233 WeakPolarHBondContact OD1-CB 3.2Å; N210-S233 PolarHBondContact OD1-OG 3.09Å; N229-S233 WeakPolarHBondContact O-CB 3.47Å; N229-S233 PolarHBondContact O-N 3.1Å; I230-S233 PolarHBondContact O-N 3.19Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 3.01Å; S233-L235 PolarHBondContact O-N 3.19Å; S233-M236 PolarHBondContact O-N 3.5Å; S233-Y237 WeakPolarHBondContact O-CB 3.31Å; S233-Y237 VanDerWaalsContact O-CD2 3.3Å; S233-Y237 WeakPolarHBondContact O-CD2 3.2Å; S233-Y237 PolarHBondContact O-N 2.7Å |
| 234 | S | 95.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | I230 V231 L238 | I230-S234 VanDerWaalsContact O-CB 3.26Å; I230-S234 WeakPolarHBondContact O-CB 3.31Å; I230-S234 PolarHBondContact O-N 3.32Å; I230-S234 PolarHBondContact O-OG 3.29Å; V231-S234 PolarHBondContact O-N 3.18Å; S234-L238 WeakPolarHBondContact O-CB 3.25Å; S234-L238 PolarHBondContact O-N 3.44Å |
| 235 | L | 96.1 | Very high | 94 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.1 | -70.9 | 174.2 | 0 | 0 | 0 | 111.7 | V231 W232 S233 S239 | V231-L235 HydrophobicContact CG1-CD1 3.99Å; V231-L235 HydrophobicContact CG1-CG 4.46Å; V231-L235 WeakPolarHBondContact O-CB 3.23Å; V231-L235 WeakPolarHBondContact O-CG 3.3Å; V231-L235 PolarHBondContact O-N 2.84Å; W232-L235 HydrophobicContact CE3-CD1 4Å; W232-L235 HydrophobicContact CZ3-CD1 4.07Å; S233-L235 PolarHBondContact O-N 3.19Å; L235-S239 VanDerWaalsContact O-CB 3.27Å; L235-S239 WeakPolarHBondContact O-CB 3.15Å; L235-S239 PolarHBondContact O-N 2.64Å; L235-S239 PolarHBondContact O-OG 3.35Å |
| 236 | M | 96.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.069 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -55.4 | 177.6 | -177.7 | -171.4 | 66 | 0 | 0 | 111 | V145 Y148 W232 S233 L238 S239 Y240 | V145-M236 HydrophobicContact CG1-SD 4.33Å; Y148-M236 HydrophobicContact CD1-CE 3.44Å; Y148-M236 VanDerWaalsContact CD1-CE 3.44Å; Y148-M236 HydrophobicContact CD1-SD 3.87Å; Y148-M236 HydrophobicContact CE1-CE 3.75Å; Y148-M236 HydrophobicContact CG-CE 3.9Å; Y148-M236 HydrophobicContact CG-SD 3.83Å; W232-M236 VanDerWaalsContact O-CB 3.29Å; W232-M236 WeakPolarHBondContact O-CB 3.33Å; W232-M236 PolarHBondContact O-N 2.88Å; S233-M236 PolarHBondContact O-N 3.5Å; M236-L238 PolarHBondContact O-N 3.02Å; M236-S239 PolarHBondContact O-N 3.16Å; M236-S239 PolarHBondContact O-OG 2.52Å; M236-Y240 HydrophobicContact CE-CE2 4.36Å; M236-Y240 HydrophobicContact CG-CD2 4.13Å; M236-Y240 HydrophobicContact CG-CE1 4.01Å; M236-Y240 HydrophobicContact CG-CE2 3.42Å; M236-Y240 VanDerWaalsContact CG-CE2 3.42Å; M236-Y240 WeakPolarHBondContact CG-OH 3.44Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 HydrophobicContact SD-CE2 3.81Å; M236-Y240 PolarHBondContact SD-OH 3.26Å |
| 237 | Y | 95.8 | Very high | 94 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | -178.6 | -86.7 | -76.2 | 0 | 0 | 0 | 112.8 | F163 M166 M203 S233 Y240 F241 | F163-Y237 AromaticContact CD1-CE2 3.6Å; F163-Y237 HydrophobicContact CD1-CE2 3.6Å; F163-Y237 AromaticContact CD1-CZ 3.54Å; F163-Y237 WeakPolarHBondContact CD1-OH 3.13Å; F163-Y237 HydrophobicContact CE1-CD2 4.23Å; F163-Y237 AromaticContact CE1-CE2 3.55Å; F163-Y237 HydrophobicContact CE1-CE2 3.55Å; F163-Y237 AromaticContact CE1-CZ 3.88Å; F163-Y237 HydrophobicContact CG-CE2 4.32Å; F163-Y237 HydrophobicContact CZ-CE2 4.25Å; M166-Y237 HydrophobicContact CE-CE1 3.45Å; M166-Y237 VanDerWaalsContact CE-CE1 3.45Å; M166-Y237 WeakPolarHBondContact CE-OH 3.16Å; M203-Y237 HydrophobicContact CB-CD1 4.49Å; M203-Y237 HydrophobicContact SD-CD1 3.55Å; M203-Y237 VanDerWaalsContact SD-CD1 3.55Å; M203-Y237 HydrophobicContact SD-CE1 3.91Å; S233-Y237 WeakPolarHBondContact O-CB 3.31Å; S233-Y237 VanDerWaalsContact O-CD2 3.3Å; S233-Y237 WeakPolarHBondContact O-CD2 3.2Å; S233-Y237 PolarHBondContact O-N 2.7Å; Y237-Y240 PolarHBondContact O-N 3.28Å; Y237-F241 WeakPolarHBondContact O-CB 3.32Å; Y237-F241 PolarHBondContact O-N 2.88Å |
| 238 | L | 95.4 | Very high | 94 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.1 | -178.8 | 61.9 | 0 | 0 | 0 | 111.5 | S234 M236 Y240 F241 L242 | S234-L238 WeakPolarHBondContact O-CB 3.25Å; S234-L238 PolarHBondContact O-N 3.44Å; M236-L238 PolarHBondContact O-N 3.02Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 2.86Å; L238-F241 WeakPolarHBondContact O-CB 3.28Å; L238-F241 PolarHBondContact O-N 3.12Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.24Å; L238-L242 VanDerWaalsContact O-N 3.11Å |
| 239 | S | 96.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.8 | 76 | 0 | 0 | 0 | 0 | 111.7 | Y140 L235 M236 L242 L243 | Y140-S239 WeakPolarHBondContact CE1-OG 3.45Å; Y140-S239 WeakPolarHBondContact OH-CB 3.32Å; Y140-S239 PolarHBondContact OH-OG 3.31Å; L235-S239 VanDerWaalsContact O-CB 3.27Å; L235-S239 WeakPolarHBondContact O-CB 3.15Å; L235-S239 PolarHBondContact O-N 2.64Å; L235-S239 PolarHBondContact O-OG 3.35Å; M236-S239 PolarHBondContact O-N 3.16Å; M236-S239 PolarHBondContact O-OG 2.52Å; S239-L242 PolarHBondContact O-N 3.4Å; S239-L243 WeakPolarHBondContact O-CB 3.28Å; S239-L243 WeakPolarHBondContact O-CD1 3.44Å; S239-L243 VanDerWaalsContact O-CG 3.23Å; S239-L243 WeakPolarHBondContact O-CG 3.44Å; S239-L243 PolarHBondContact O-N 2.71Å |
| 240 | Y | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.7 | -65 | -10.4 | 0 | 0 | 0 | 111.8 | Y140 H141 T144 V145 M203 M236 Y237 L238 L242 L243 F244 | Y140-Y240 HydrophobicContact CD1-CD1 4.35Å; Y140-Y240 AromaticContact CD1-CE1 3.99Å; Y140-Y240 HydrophobicContact CD1-CE1 3.99Å; Y140-Y240 AromaticContact CE1-CD1 3.86Å; Y140-Y240 HydrophobicContact CE1-CD1 3.86Å; Y140-Y240 AromaticContact CE1-CE1 3.58Å; Y140-Y240 HydrophobicContact CE1-CE1 3.58Å; H141-Y240 HydrophobicContact CB-CE1 4.29Å; H141-Y240 AromaticContact CD2-CE2 3.58Å; H141-Y240 AromaticContact CD2-CZ 3.64Å; H141-Y240 PolarHBondContact O-OH 2.81Å; T144-Y240 WeakPolarHBondContact CB-OH 3.08Å; T144-Y240 PolarHBondContact OG1-OH 3.38Å; V145-Y240 HydrophobicContact CG1-CE2 3.72Å; V145-Y240 WeakPolarHBondContact CG1-OH 3.22Å; V145-Y240 PolarHBondContact N-OH 3.39Å; M203-Y240 HydrophobicContact CE-CD2 4.28Å; M203-Y240 WeakPolarHBondContact SD-CB 3.16Å; M203-Y240 HydrophobicContact SD-CD2 3.7Å; M203-Y240 HydrophobicContact SD-CG 4.11Å; M236-Y240 HydrophobicContact CE-CE2 4.36Å; M236-Y240 HydrophobicContact CG-CD2 4.13Å; M236-Y240 HydrophobicContact CG-CE1 4.01Å; M236-Y240 HydrophobicContact CG-CE2 3.42Å; M236-Y240 VanDerWaalsContact CG-CE2 3.42Å; M236-Y240 WeakPolarHBondContact CG-OH 3.44Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 HydrophobicContact SD-CE2 3.81Å; M236-Y240 PolarHBondContact SD-OH 3.26Å; Y237-Y240 PolarHBondContact O-N 3.28Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 2.86Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 3.44Å; Y240-L243 PolarHBondContact O-N 3.48Å; Y240-F244 WeakPolarHBondContact O-CB 3.26Å; Y240-F244 VanDerWaalsContact O-CD2 3.3Å; Y240-F244 WeakPolarHBondContact O-CD2 3.33Å; Y240-F244 PolarHBondContact O-N 3Å |
| 241 | F | 95.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.5 | -50.7 | 176.5 | 176.5 | -110.9 | 0 | 0 | 0 | 111.4 | I200 M203 V204 Y237 L238 L243 F244 L245 | I200-F241 HydrophobicContact CG2-CD2 4.11Å; I200-F241 HydrophobicContact CG2-CE2 3.88Å; M203-F241 HydrophobicContact CB-CB 3.8Å; M203-F241 HydrophobicContact CB-CD2 4.22Å; M203-F241 HydrophobicContact CG-CB 4.44Å; V204-F241 HydrophobicContact CG2-CD2 3.91Å; V204-F241 HydrophobicContact CG2-CE2 3.52Å; V204-F241 HydrophobicContact CG2-CZ 4.35Å; Y237-F241 WeakPolarHBondContact O-CB 3.32Å; Y237-F241 PolarHBondContact O-N 2.88Å; L238-F241 WeakPolarHBondContact O-CB 3.28Å; L238-F241 PolarHBondContact O-N 3.12Å; F241-L243 PolarHBondContact O-N 3.17Å; F241-F244 PolarHBondContact O-N 2.95Å; F241-L245 HydrophobicContact CD1-CD1 3.94Å; F241-L245 HydrophobicContact CD2-CD1 4.36Å; F241-L245 HydrophobicContact CD2-CG 4.37Å; F241-L245 HydrophobicContact CE1-CD1 3.4Å; F241-L245 HydrophobicContact CE1-CG 4.38Å; F241-L245 HydrophobicContact CE2-CD1 3.86Å; F241-L245 HydrophobicContact CE2-CD2 4.39Å; F241-L245 HydrophobicContact CE2-CG 4.07Å; F241-L245 HydrophobicContact CG-CD1 4.4Å; F241-L245 HydrophobicContact CZ-CD1 3.37Å; F241-L245 HydrophobicContact CZ-CG 4.1Å; F241-L245 WeakPolarHBondContact O-CB 3.22Å; F241-L245 WeakPolarHBondContact O-CG 3.47Å; F241-L245 PolarHBondContact O-N 3.01Å |
| 242 | L | 95.9 | Very high | 92.7 | Very high | 103 Ų | 103 | 56 Ų | 56 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 179.1 | -64.9 | 176.9 | 0 | 0 | 0 | 112.2 | L238 S239 Y240 L245 H246 | L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.24Å; L238-L242 VanDerWaalsContact O-N 3.11Å; S239-L242 PolarHBondContact O-N 3.4Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.18Å; L242-H246 WeakPolarHBondContact O-CB 3.48Å; L242-H246 PolarHBondContact O-N 3.42Å |
| 243 | L | 91.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 180 | -68.6 | 165.3 | 0 | 0 | 0 | 112.3 | F136 L137 Y140 S239 Y240 F241 F247 | F136-L243 HydrophobicContact CD1-CD2 4.03Å; F136-L243 HydrophobicContact CE1-CD1 4.18Å; F136-L243 HydrophobicContact CE1-CD2 4.07Å; L137-L243 HydrophobicContact CD1-CB 3.37Å; L137-L243 HydrophobicContact CD1-CD1 4.06Å; L137-L243 HydrophobicContact CD1-CG 4.3Å; Y140-L243 HydrophobicContact CD1-CD1 3.67Å; Y140-L243 HydrophobicContact CE1-CD1 3.73Å; S239-L243 WeakPolarHBondContact O-CB 3.28Å; S239-L243 WeakPolarHBondContact O-CD1 3.44Å; S239-L243 VanDerWaalsContact O-CG 3.23Å; S239-L243 WeakPolarHBondContact O-CG 3.44Å; S239-L243 PolarHBondContact O-N 2.71Å; Y240-L243 PolarHBondContact O-N 3.48Å; F241-L243 PolarHBondContact O-N 3.17Å; L243-F247 WeakPolarHBondContact O-CB 3.35Å; L243-F247 PolarHBondContact O-N 3.49Å |
| 244 | F | 90.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.2 | -34.8 | 176.2 | -87.1 | -76.3 | 0 | 0 | 0 | 112.4 | L137 Q199 I200 Y240 F241 F247 F248 | L137-F244 HydrophobicContact CD1-CD2 4.01Å; L137-F244 HydrophobicContact CD1-CE2 3.92Å; L137-F244 HydrophobicContact CD1-CZ 4.32Å; L137-F244 HydrophobicContact CD2-CD1 4.23Å; L137-F244 HydrophobicContact CD2-CE1 3.91Å; L137-F244 HydrophobicContact CD2-CE2 4.41Å; L137-F244 HydrophobicContact CD2-CZ 4.01Å; L137-F244 HydrophobicContact CG-CZ 4.49Å; Q199-F244 HydrophobicContact CB-CD1 4.25Å; Q199-F244 HydrophobicContact CB-CE1 4.14Å; Q199-F244 HydrophobicContact CB-CZ 4.49Å; Q199-F244 HydrophobicContact CG-CE1 4.45Å; I200-F244 HydrophobicContact CG1-CB 3.8Å; Y240-F244 WeakPolarHBondContact O-CB 3.26Å; Y240-F244 VanDerWaalsContact O-CD2 3.3Å; Y240-F244 WeakPolarHBondContact O-CD2 3.33Å; Y240-F244 PolarHBondContact O-N 3Å; F241-F244 PolarHBondContact O-N 2.95Å; F244-F247 HydrophobicContact CD1-CD1 4.44Å; F244-F247 PolarHBondContact O-N 2.85Å; F244-F248 VanDerWaalsContact O-CB 3.29Å; F244-F248 WeakPolarHBondContact O-CB 3.38Å; F244-F248 PolarHBondContact O-N 3.44Å |
| 245 | L | 93.3 | Very high | 89.4 | Confident | 71 Ų | 71 | 63 Ų | 63 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 170.8 | -79.4 | -178.3 | 0 | 0 | 0 | 111.6 | I200 F241 L242 F247 F248 Y249 | I200-L245 HydrophobicContact CD1-CD2 4.26Å; I200-L245 HydrophobicContact CG2-CD2 4.14Å; F241-L245 HydrophobicContact CD1-CD1 3.94Å; F241-L245 HydrophobicContact CD2-CD1 4.36Å; F241-L245 HydrophobicContact CD2-CG 4.37Å; F241-L245 HydrophobicContact CE1-CD1 3.4Å; F241-L245 HydrophobicContact CE1-CG 4.38Å; F241-L245 HydrophobicContact CE2-CD1 3.86Å; F241-L245 HydrophobicContact CE2-CD2 4.39Å; F241-L245 HydrophobicContact CE2-CG 4.07Å; F241-L245 HydrophobicContact CG-CD1 4.4Å; F241-L245 HydrophobicContact CZ-CD1 3.37Å; F241-L245 HydrophobicContact CZ-CG 4.1Å; F241-L245 WeakPolarHBondContact O-CB 3.22Å; F241-L245 WeakPolarHBondContact O-CG 3.47Å; F241-L245 PolarHBondContact O-N 3.01Å; L242-L245 PolarHBondContact O-N 3.18Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 2.65Å; L245-F248 PolarHBondContact O-N 3.01Å; L245-Y249 WeakPolarHBondContact O-CB 3.22Å; L245-Y249 PolarHBondContact O-N 2.97Å |
| 246 | H | 91.8 | Very high | 87 | Confident | 109 Ų | 109 | 65.5 Ų | 65.5 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175 | -179.1 | -89.5 | 0 | 0 | 0 | 110.9 | L242 F248 Y249 E250 | L242-H246 WeakPolarHBondContact O-CB 3.48Å; L242-H246 PolarHBondContact O-N 3.42Å; H246-F248 PolarHBondContact O-N 3.45Å; H246-Y249 PolarHBondContact O-N 3.4Å; H246-E250 IonicContact CE1-OE1 3.28Å; H246-E250 PolarHBondContact CE1-OE1 2.66Å; H246-E250 VanDerWaalsContact CE1-OE1 3.28Å; H246-E250 IonicContact CE1-OE2 3.34Å; H246-E250 PolarHBondContact CE1-OE2 3.42Å; H246-E250 IonicContact ND1-OE2 3.63Å; H246-E250 IonicContact NE2-OE1 3.8Å; H246-E250 PolarHBondContact O-N 2.93Å |
| 247 | F | 88.5 | Confident | 84.3 | Confident | 26 Ų | 26 | 74 Ų | 74 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 175.7 | 172.4 | -109.3 | 0 | 0 | 0 | 112.5 | L137 T196 L243 F244 L245 E250 A251 V265 | L137-F247 HydrophobicContact CD2-CB 4.49Å; T196-F247 HydrophobicContact CG2-CD1 3.83Å; T196-F247 HydrophobicContact CG2-CE1 3.86Å; L243-F247 WeakPolarHBondContact O-CB 3.35Å; L243-F247 PolarHBondContact O-N 3.49Å; F244-F247 HydrophobicContact CD1-CD1 4.44Å; F244-F247 PolarHBondContact O-N 2.85Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 2.65Å; F247-E250 PolarHBondContact O-N 3.42Å; F247-A251 HydrophobicContact CE2-CB 4.13Å; F247-A251 HydrophobicContact CZ-CB 4.14Å; F247-A251 VanDerWaalsContact O-CB 3.25Å; F247-A251 WeakPolarHBondContact O-CB 3.41Å; F247-A251 PolarHBondContact O-N 3.49Å; F247-V265 HydrophobicContact CD2-CG1 4.02Å; F247-V265 HydrophobicContact CE2-CB 3.47Å; F247-V265 VanDerWaalsContact CE2-CB 3.47Å; F247-V265 HydrophobicContact CE2-CG1 3.18Å; F247-V265 HydrophobicContact CE2-CG2 4.05Å; F247-V265 HydrophobicContact CZ-CB 3.95Å; F247-V265 HydrophobicContact CZ-CG1 3.72Å |
| 248 | F | 89.9 | Confident | 81.6 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.2 | -177.9 | -87.7 | 0 | 0 | 0 | 111.7 | M193 T196 L197 I200 F244 L245 H246 A251 Y252 V253 | M193-F248 HydrophobicContact CG-CE2 3.75Å; M193-F248 HydrophobicContact CG-CZ 4.17Å; T196-F248 HydrophobicContact CG2-CB 4.25Å; T196-F248 HydrophobicContact CG2-CD2 3.85Å; L197-F248 HydrophobicContact CD2-CD2 4.23Å; L197-F248 HydrophobicContact CD2-CE2 3.59Å; L197-F248 HydrophobicContact CD2-CZ 3.85Å; L197-F248 HydrophobicContact CG-CE2 3.83Å; L197-F248 HydrophobicContact CG-CZ 4.39Å; I200-F248 HydrophobicContact CD1-CB 3.84Å; I200-F248 HydrophobicContact CD1-CD2 4.11Å; I200-F248 HydrophobicContact CD1-CG 4.06Å; F244-F248 VanDerWaalsContact O-CB 3.29Å; F244-F248 WeakPolarHBondContact O-CB 3.38Å; F244-F248 PolarHBondContact O-N 3.44Å; L245-F248 PolarHBondContact O-N 3.01Å; H246-F248 PolarHBondContact O-N 3.45Å; F248-A251 PolarHBondContact O-N 3.32Å; F248-Y252 AromaticContact CD2-CD2 3.45Å; F248-Y252 HydrophobicContact CD2-CD2 3.45Å; F248-Y252 VanDerWaalsContact CD2-CD2 3.45Å; F248-Y252 AromaticContact CD2-CE2 3.91Å; F248-Y252 HydrophobicContact CD2-CE2 3.91Å; F248-Y252 HydrophobicContact CD2-CG 4.43Å; F248-Y252 AromaticContact CE2-CD2 3.65Å; F248-Y252 HydrophobicContact CE2-CD2 3.65Å; F248-Y252 HydrophobicContact CE2-CE2 4.21Å; F248-Y252 HydrophobicContact CE2-CG 4.26Å; F248-Y252 AromaticContact CG-CD2 3.95Å; F248-Y252 HydrophobicContact CG-CD2 3.95Å; F248-Y252 HydrophobicContact CZ-CD2 4.3Å; F248-Y252 WeakPolarHBondContact O-CB 3.27Å; F248-Y252 WeakPolarHBondContact O-CD2 3.41Å; F248-Y252 PolarHBondContact O-N 3.43Å; F248-V253 HydrophobicContact CD1-CG2 4.29Å; F248-V253 HydrophobicContact CE1-CG2 3.92Å |
| 249 | Y | 90.8 | Very high | 78.8 | Confident | 139 Ų | 139 | 77.2 Ų | 77.2 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | I | π-helix | trans | -59.2 | -50.6 | 176.6 | -179.2 | -95.4 | 0 | 0 | 0 | 111 | L245 H246 A251 V253 G254 | L245-Y249 WeakPolarHBondContact O-CB 3.22Å; L245-Y249 PolarHBondContact O-N 2.97Å; H246-Y249 PolarHBondContact O-N 3.4Å; Y249-A251 PolarHBondContact O-N 3.19Å; Y249-V253 HydrophobicContact CD2-CB 3.92Å; Y249-V253 HydrophobicContact CD2-CG1 3.98Å; Y249-V253 HydrophobicContact CE2-CB 4.27Å; Y249-V253 HydrophobicContact CE2-CG1 3.91Å; Y249-V253 PolarHBondContact O-N 3.02Å; Y249-G254 PolarHBondContact O-N 2.76Å |
| 250 | E | 87.8 | Confident | 76.1 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | I | π-helix | trans | -63.5 | -37.6 | 179 | -70.9 | -168.2 | 137.7 | 0 | 0 | 113.3 | H246 F247 | H246-E250 IonicContact CE1-OE1 3.28Å; H246-E250 PolarHBondContact CE1-OE1 2.66Å; H246-E250 VanDerWaalsContact CE1-OE1 3.28Å; H246-E250 IonicContact CE1-OE2 3.34Å; H246-E250 PolarHBondContact CE1-OE2 3.42Å; H246-E250 IonicContact ND1-OE2 3.63Å; H246-E250 IonicContact NE2-OE1 3.8Å; H246-E250 PolarHBondContact O-N 2.93Å; F247-E250 PolarHBondContact O-N 3.42Å |
| 251 | A | 83.7 | Confident | 73.3 | Confident | 12 Ų | 12 | 83 Ų | 83 | 10% | 0.099 | 44% | 0.436 | C | S | . | . | I | π-helix | trans | -82.1 | -28.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R189 F247 F248 Y249 | R189-A251 PolarHBondContact NH2-O 3.34Å; R189-A251 VanDerWaalsContact NH2-O 3.12Å; F247-A251 HydrophobicContact CE2-CB 4.13Å; F247-A251 HydrophobicContact CZ-CB 4.14Å; F247-A251 VanDerWaalsContact O-CB 3.25Å; F247-A251 WeakPolarHBondContact O-CB 3.41Å; F247-A251 PolarHBondContact O-N 3.49Å; F248-A251 PolarHBondContact O-N 3.32Å; Y249-A251 PolarHBondContact O-N 3.19Å |
| 252 | Y | 86.6 | Confident | 70.4 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 14% | 0.141 | 43% | 0.432 | C | S | . | . | I | π-helix | trans | -127.5 | -26.3 | -167.7 | -59.1 | -68.4 | 0 | 0 | 0 | 115.6 | R189 A192 M193 T196 F248 | R189-Y252 HydrophobicContact CG-CE1 4.33Å; A192-Y252 PolarHBondContact O-OH 3.05Å; M193-Y252 HydrophobicContact CB-CD1 4.23Å; M193-Y252 HydrophobicContact CB-CE1 3.86Å; M193-Y252 HydrophobicContact CE-CD1 3.48Å; M193-Y252 VanDerWaalsContact CE-CD1 3.48Å; M193-Y252 HydrophobicContact CE-CE1 4.2Å; M193-Y252 HydrophobicContact CE-CG 3.9Å; M193-Y252 HydrophobicContact CG-CD1 4.24Å; M193-Y252 HydrophobicContact CG-CD2 4.49Å; M193-Y252 HydrophobicContact CG-CE1 4.32Å; M193-Y252 HydrophobicContact CG-CG 4.33Å; M193-Y252 PolarHBondContact N-OH 3.48Å; T196-Y252 HydrophobicContact CG2-CE2 4.34Å; T196-Y252 PolarHBondContact OG1-OH 3.41Å; F248-Y252 AromaticContact CD2-CD2 3.45Å; F248-Y252 HydrophobicContact CD2-CD2 3.45Å; F248-Y252 VanDerWaalsContact CD2-CD2 3.45Å; F248-Y252 AromaticContact CD2-CE2 3.91Å; F248-Y252 HydrophobicContact CD2-CE2 3.91Å; F248-Y252 HydrophobicContact CD2-CG 4.43Å; F248-Y252 AromaticContact CE2-CD2 3.65Å; F248-Y252 HydrophobicContact CE2-CD2 3.65Å; F248-Y252 HydrophobicContact CE2-CE2 4.21Å; F248-Y252 HydrophobicContact CE2-CG 4.26Å; F248-Y252 AromaticContact CG-CD2 3.95Å; F248-Y252 HydrophobicContact CG-CD2 3.95Å; F248-Y252 HydrophobicContact CZ-CD2 4.3Å; F248-Y252 WeakPolarHBondContact O-CB 3.27Å; F248-Y252 WeakPolarHBondContact O-CD2 3.41Å; F248-Y252 PolarHBondContact O-N 3.43Å |
| 253 | V | 87.4 | Confident | 67.5 | Low | 83 Ų | 83 | 80.8 Ų | 80.8 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | I | π-helix | trans | -116.6 | -39.5 | -169.8 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | F248 Y249 K255 | F248-V253 HydrophobicContact CD1-CG2 4.29Å; F248-V253 HydrophobicContact CE1-CG2 3.92Å; Y249-V253 HydrophobicContact CD2-CB 3.92Å; Y249-V253 HydrophobicContact CD2-CG1 3.98Å; Y249-V253 HydrophobicContact CE2-CB 4.27Å; Y249-V253 HydrophobicContact CE2-CG1 3.91Å; Y249-V253 PolarHBondContact O-N 3.02Å; V253-K255 PolarHBondContact O-N 3.05Å |
| 254 | G | 75.9 | Confident | 64.9 | Low | 24 Ų | 24 | 79.9 Ų | 79.9 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | trans | -56.9 | 131.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y249 N256 | Y249-G254 PolarHBondContact O-N 2.76Å; G254-N256 PolarHBondContact O-N 2.6Å; G254-N256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | K | 52.9 | Low | 62.5 | Low | 211 Ų | 211 | 82 Ų | 82 | 92% | 0.917 | 45% | 0.448 | S | S | * | . | trans | -72.5 | 3.4 | -177.8 | -76.3 | -174.8 | 177.2 | 178.6 | 0 | 115.1 | V253 K257 | V253-K255 PolarHBondContact O-N 3.05Å; K255-K257 PolarHBondContact O-N 2.76Å | ||
| 256 | N | 46 | Very low | 59.8 | Low | 143 Ų | 143 | 80.2 Ų | 80.2 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.9 | 126.4 | 170.1 | -71.1 | -22.6 | 0 | 0 | 0 | 107 | G254 | G254-N256 PolarHBondContact O-N 2.6Å; G254-N256 VanDerWaalsContact O-N 3.15Å |
| 257 | K | 39.5 | Very low | 57 | Low | 194 Ų | 194 | 75.7 Ų | 75.7 | 84% | 0.843 | 42% | 0.421 | S | S | * | . | trans | -26.7 | 128.1 | 161.3 | -114.7 | 177.1 | -178.4 | 174.6 | 0 | 106.2 | K255 P259 | K255-K257 PolarHBondContact O-N 2.76Å; K257-P259 VanDerWaalsContact O-CD 3.23Å; K257-P259 WeakPolarHBondContact O-CD 3.38Å | ||
| 258 | P | 37.9 | Very low | 54.4 | Low | 98 Ų | 98 | 76.4 Ų | 76.4 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | trans | -47.4 | 119.4 | 179.1 | 20.9 | -30.2 | 0 | 0 | 0 | 103.9 | A260 A262 | P258-A260 PolarHBondContact O-N 2.91Å; P258-A262 HydrophobicContact CB-CB 4.36Å | ||
| 259 | P | 36.8 | Very low | 51.8 | Low | 67 Ų | 67 | 76.3 Ų | 76.3 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | -50.3 | 141.8 | 163.1 | 26.1 | -32.2 | 0 | 0 | 0 | 102.5 | K257 S261 A262 | K257-P259 VanDerWaalsContact O-CD 3.23Å; K257-P259 WeakPolarHBondContact O-CD 3.38Å; P259-S261 VanDerWaalsContact C-CA 3.47Å; P259-S261 VanDerWaalsContact C-CB 3.45Å; P259-S261 CarbonylContact O-C 3.32Å; P259-S261 VanDerWaalsContact O-C 3.32Å; P259-S261 VanDerWaalsContact O-CA 3.22Å; P259-S261 WeakPolarHBondContact O-CA 3.39Å; P259-S261 PolarHBondContact O-N 2.88Å; P259-A262 HydrophobicContact CG-CB 3.98Å; P259-A262 PolarHBondContact O-N 3.34Å | ||
| 260 | A | 40.1 | Very low | 49.1 | Very low | 113 Ų | 113 | 71.7 Ų | 71.7 | 93% | 0.934 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 48.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P258 | P258-A260 PolarHBondContact O-N 2.91Š|
| 261 | S | 36.7 | Very low | 46.4 | Very low | 39 Ų | 39 | 69.5 Ų | 69.5 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | 169.6 | -5.9 | -122 | 158.1 | 0 | 0 | 0 | 0 | 113.5 | P259 T264 | P259-S261 VanDerWaalsContact C-CA 3.47Å; P259-S261 VanDerWaalsContact C-CB 3.45Å; P259-S261 CarbonylContact O-C 3.32Å; P259-S261 VanDerWaalsContact O-C 3.32Å; P259-S261 VanDerWaalsContact O-CA 3.22Å; P259-S261 WeakPolarHBondContact O-CA 3.39Å; P259-S261 PolarHBondContact O-N 2.88Å; S261-T264 VanDerWaalsContact CA-CG2 3.43Å; S261-T264 WeakPolarHBondContact CA-OG1 3.4Å; S261-T264 PolarHBondContact N-OG1 3.07Å; S261-T264 WeakPolarHBondContact O-CB 3.41Å; S261-T264 VanDerWaalsContact O-CG2 3.31Å; S261-T264 WeakPolarHBondContact O-CG2 3Å | |
| 262 | A | 34.4 | Very low | 43.8 | Very low | 21 Ų | 21 | 73.1 Ų | 73.1 | 17% | 0.174 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -96.1 | -17.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P258 P259 T264 | P258-A262 HydrophobicContact CB-CB 4.36Å; P259-A262 HydrophobicContact CG-CB 3.98Å; P259-A262 PolarHBondContact O-N 3.34Å; A262-T264 PolarHBondContact O-N 2.93Å; A262-T264 VanDerWaalsContact O-N 3.17Å |
| 263 | S | 34.7 | Very low | 41.1 | Very low | 92 Ų | 92 | 75.4 Ų | 75.4 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -81.9 | 32.1 | 161 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | A267 | S263-A267 WeakPolarHBondContact O-CB 3.13Š|
| 264 | T | 37.4 | Very low | 38.5 | Very low | 25 Ų | 25 | 77.5 Ų | 77.5 | 15% | 0.153 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -145.2 | -24.5 | -155.4 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | S261 A262 T266 A267 T268 | S261-T264 VanDerWaalsContact CA-CG2 3.43Å; S261-T264 WeakPolarHBondContact CA-OG1 3.4Å; S261-T264 PolarHBondContact N-OG1 3.07Å; S261-T264 WeakPolarHBondContact O-CB 3.41Å; S261-T264 VanDerWaalsContact O-CG2 3.31Å; S261-T264 WeakPolarHBondContact O-CG2 3Å; A262-T264 PolarHBondContact O-N 2.93Å; A262-T264 VanDerWaalsContact O-N 3.17Å; T264-T266 VanDerWaalsContact C-N 3.28Å; T264-A267 PolarHBondContact O-N 3.28Å; T264-T268 VanDerWaalsContact CA-N 3.32Å; T264-T268 WeakPolarHBondContact CA-OG1 3.35Å; T264-T268 WeakPolarHBondContact CB-OG1 3.45Å; T264-T268 HydrophobicContact CG2-CG2 3.6Å; T264-T268 WeakPolarHBondContact CG2-OG1 3.48Å; T264-T268 CarbonylContact O-C 3.55Å; T264-T268 VanDerWaalsContact O-CA 3.29Å; T264-T268 WeakPolarHBondContact O-CA 3.49Å; T264-T268 VanDerWaalsContact O-CB 3.26Å; T264-T268 WeakPolarHBondContact O-CB 3.38Å; T264-T268 PolarHBondContact O-N 2.88Å; T264-T268 PolarHBondContact OG1-OG1 3.08Å |
| 265 | V | 40.4 | Very low | 36.3 | Very low | 62 Ų | 62 | 82.5 Ų | 82.5 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.2 | 169.1 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | I135 F247 | I135-V265 HydrophobicContact CD1-CG1 3.81Å; F247-V265 HydrophobicContact CD2-CG1 4.02Å; F247-V265 HydrophobicContact CE2-CB 3.47Å; F247-V265 VanDerWaalsContact CE2-CB 3.47Å; F247-V265 HydrophobicContact CE2-CG1 3.18Å; F247-V265 HydrophobicContact CE2-CG2 4.05Å; F247-V265 HydrophobicContact CZ-CB 3.95Å; F247-V265 HydrophobicContact CZ-CG1 3.72Å |
| 266 | T | 36.8 | Very low | 35.1 | Very low | 34 Ų | 34 | 80.8 Ų | 80.8 | 21% | 0.209 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4.3 | 167.3 | -17.2 | 0 | 0 | 0 | 0 | 113.3 | Y177 Y178 A192 T264 | Y177-T266 HydrophobicContact CD1-CG2 4.26Å; Y177-T266 HydrophobicContact CE1-CG2 3.43Å; Y177-T266 VanDerWaalsContact CE1-CG2 3.43Å; Y178-T266 HydrophobicContact CE1-CG2 4.2Å; A192-T266 HydrophobicContact CB-CG2 4.41Å; T264-T266 VanDerWaalsContact C-N 3.28Å |
| 267 | A | 33.3 | Very low | 34.2 | Very low | 14 Ų | 14 | 78.8 Ų | 78.8 | 12% | 0.116 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 6.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | R181 S263 T264 T271 | R181-A267 VanDerWaalsContact NH2-CB 3.33Å; S263-A267 WeakPolarHBondContact O-CB 3.13Å; T264-A267 PolarHBondContact O-N 3.28Å; A267-T271 PolarHBondContact O-N 3.07Å; A267-T271 PolarHBondContact O-OG1 2.98Å |
| 268 | T | 34.2 | Very low | 33.9 | Very low | 41 Ų | 41 | 79.2 Ų | 79.2 | 25% | 0.252 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 55.6 | 170.8 | -58.3 | 0 | 0 | 0 | 0 | 108 | Q132 T264 | Q132-T268 VanDerWaalsContact OE1-CG2 3.27Å; Q132-T268 PolarHBondContact OE1-O 3.16Å; T264-T268 VanDerWaalsContact CA-N 3.32Å; T264-T268 WeakPolarHBondContact CA-OG1 3.35Å; T264-T268 WeakPolarHBondContact CB-OG1 3.45Å; T264-T268 HydrophobicContact CG2-CG2 3.6Å; T264-T268 WeakPolarHBondContact CG2-OG1 3.48Å; T264-T268 CarbonylContact O-C 3.55Å; T264-T268 VanDerWaalsContact O-CA 3.29Å; T264-T268 WeakPolarHBondContact O-CA 3.49Å; T264-T268 VanDerWaalsContact O-CB 3.26Å; T264-T268 WeakPolarHBondContact O-CB 3.38Å; T264-T268 PolarHBondContact O-N 2.88Å; T264-T268 PolarHBondContact OG1-OG1 3.08Å |
| 269 | T | 34.3 | Very low | 33.5 | Very low | 34 Ų | 34 | 84.4 Ų | 84.4 | 21% | 0.209 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -14.5 | 131.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I127 R130 Q132 | I127-T269 HydrophobicContact CG1-CG2 4.12Å; R130-T269 HydrophobicContact CB-CG2 4.47Å; R130-T269 VanDerWaalsContact NH1-CG2 3.29Å; R130-T269 PolarHBondContact NH1-O 3.25Å; R130-T269 PolarHBondContact NH2-O 3.39Å; Q132-T269 HydrophobicContact CB-CG2 3.7Å; Q132-T269 WeakPolarHBondContact CB-OG1 3.48Å; Q132-T269 VanDerWaalsContact CD-CA 3.46Å; Q132-T269 HydrophobicContact CG-CG2 3.45Å; Q132-T269 VanDerWaalsContact CG-CG2 3.45Å; Q132-T269 WeakPolarHBondContact CG-O 3.5Å; Q132-T269 VanDerWaalsContact OE1-CA 3.28Å |
| 270 | I | 35.2 | Very low | 33.1 | Very low | 42 Ų | 42 | 86.9 Ų | 86.9 | 22% | 0.215 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -17.4 | -166.6 | -54.2 | 153 | 0 | 0 | 0 | 117.3 | L60 R130 A182 T272 | L60-I270 HydrophobicContact CD2-CD1 3.5Å; L60-I270 HydrophobicContact CD2-CG1 3.74Å; R130-I270 VanDerWaalsContact NH2-CG1 3.29Å; A182-I270 HydrophobicContact CB-CD1 3.86Å; I270-T272 PolarHBondContact O-N 3.25Å |
| 271 | T | 30.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.454 | 54% | 0.539 | S | S | . | . | trans | -100.8 | 71 | -170.5 | -27.5 | 0 | 0 | 0 | 0 | 112.3 | A267 | A267-T271 PolarHBondContact O-N 3.07Å; A267-T271 PolarHBondContact O-OG1 2.98Å | ||
| 272 | T | 29.1 | Very low | 32.4 | Very low | 88 Ų | 88 | 96.8 Ų | 96.8 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | trans | -143.4 | 72.7 | 153.1 | 22.5 | 0 | 0 | 0 | 0 | 109.1 | K53 I270 | K53-T272 PolarHBondContact NZ-O 3.03Å; I270-T272 PolarHBondContact O-N 3.25Å | ||
| 273 | T | 30.7 | Very low | 32.3 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -168.6 | 76 | 152.4 | 36 | 0 | 0 | 0 | 0 | 107.5 | ||
| 274 | T | 31.7 | Very low | 32.2 | Very low | 127 Ų | 127 | 101.3 Ų | 101.3 | 78% | 0.779 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -157 | 13 | 157.3 | 8.2 | 0 | 0 | 0 | 0 | 115 | ||
| 275 | T | 29.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 105.8 Ų | 105.8 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -151.5 | 88 | 169 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 276 | D | 27.2 | Very low | 31.3 | Very low | 174 Ų | 174 | 108.5 Ų | 108.5 | 93% | 0.93 | 61% | 0.606 | S | S | * | * | trans | -172.9 | 75.9 | 147.1 | -89 | -25.1 | 0 | 0 | 0 | 107.9 | ||||
| 277 | A | 28.6 | Very low | 31 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -153.2 | 55.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 278 | K | 33.1 | Very low | 30.8 | Very low | 203 Ų | 203 | 120.6 Ų | 120.6 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -170.5 | 78.2 | 159.2 | -116.3 | 179.4 | -178 | -178.5 | 0 | 110.4 | ||
| 279 | K | 28.8 | Very low | 30.5 | Very low | 208 Ų | 208 | 126.7 Ų | 126.7 | 90% | 0.904 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 179.3 | 127 | 144.7 | -105.2 | 173.7 | 179.3 | -174.7 | 0 | 110.4 | ||
| 280 | S | 27.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 114.5 | 175.4 | -153.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 281 | Q | 30.8 | Very low | 29.8 | Very low | 263 Ų | 263 | 142.8 Ų | 142.8 | 100% | 1.229 | 79% | 0.791 | S | S | * | * | cis | -126.1 | 0 | 13.6 | -84.5 | 165.1 | -19.3 | 0 | 0 | 110.7 |
Retrieved 281 of 281 residues in 545 ms
(Link to these results)