| 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 | 34.6 | Very low | 34.3 | Very low | 215 Ų | 215 | 110.2 Ų | 110.2 | 100% | 1.059 | 61% | 0.607 | S | S | * | * | 0 | -37.1 | 0 | -77.8 | -170.7 | 170.2 | 0 | 0 | 113.9 | R3 N4 T5 | M1-R3 PolarHBondContact O-N 3.46Å; M1-N4 PolarHBondContact O-N 3.21Å; M1-T5 PolarHBondContact O-OG1 3.48Å | |||
| 2 | L | 30.9 | Very low | 34.7 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -31.4 | -179.3 | -87.5 | 79.4 | 0 | 0 | 0 | 116.5 | N4 T5 A6 | L2-N4 PolarHBondContact O-N 3.36Å; L2-T5 PolarHBondContact O-N 3.26Å; L2-A6 PolarHBondContact O-N 3.16Å |
| 3 | R | 29.8 | Very low | 34.9 | Very low | 212 Ų | 212 | 106.9 Ų | 106.9 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.7 | -33 | -179.6 | -93.7 | 172.3 | 92.6 | -168.3 | 7.7 | 113.4 | M1 L7 | M1-R3 PolarHBondContact O-N 3.46Å; R3-L7 WeakPolarHBondContact O-CD1 3.14Å; R3-L7 PolarHBondContact O-N 3.19Å |
| 4 | N | 33.5 | Very low | 35.2 | Very low | 132 Ų | 132 | 107.4 Ų | 107.4 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77.4 | -30.8 | 179.8 | -72.8 | -3.2 | 0 | 0 | 0 | 111.8 | M1 L2 L7 G8 | M1-N4 PolarHBondContact O-N 3.21Å; L2-N4 PolarHBondContact O-N 3.36Å; N4-L7 PolarHBondContact O-N 2.77Å; N4-G8 PolarHBondContact O-N 2.99Å |
| 5 | T | 38 | Very low | 35.9 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 43% | 0.429 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 175 | -32.8 | 0 | 0 | 0 | 0 | 111.5 | M1 L2 G8 C9 V169 | M1-T5 PolarHBondContact O-OG1 3.48Å; L2-T5 PolarHBondContact O-N 3.26Å; T5-G8 PolarHBondContact O-N 3.38Å; T5-C9 PolarHBondContact O-N 3.18Å; T5-V169 HydrophobicContact CG2-CG1 4.46Å |
| 6 | A | 33.2 | Very low | 36 | Very low | 56 Ų | 56 | 107.9 Ų | 107.9 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2 C9 V10 | L2-A6 PolarHBondContact O-N 3.16Å; A6-C9 PolarHBondContact O-N 3.4Å; A6-V10 WeakPolarHBondContact O-CB 3.27Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.44Å |
| 7 | L | 35.7 | Very low | 36.4 | Very low | 116 Ų | 116 | 105.4 Ų | 105.4 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 175.3 | -93.2 | 99.3 | 0 | 0 | 0 | 112.7 | R3 N4 V10 C11 | R3-L7 WeakPolarHBondContact O-CD1 3.14Å; R3-L7 PolarHBondContact O-N 3.19Å; N4-L7 PolarHBondContact O-N 2.77Å; L7-V10 PolarHBondContact O-N 2.94Å; L7-C11 PolarHBondContact O-N 3.21Å |
| 8 | G | 34.8 | Very low | 36.5 | Very low | 37 Ų | 37 | 101.6 Ų | 101.6 | 38% | 0.381 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N4 T5 V10 C11 V12 | N4-G8 PolarHBondContact O-N 2.99Å; T5-G8 PolarHBondContact O-N 3.38Å; G8-V10 VanDerWaalsContact C-N 3.35Å; G8-V10 PolarHBondContact O-N 3.49Å; G8-C11 PolarHBondContact O-N 3.26Å; G8-V12 WeakPolarHBondContact O-CG2 3.28Å; G8-V12 PolarHBondContact O-N 2.81Å |
| 9 | C | 34.7 | Very low | 36.9 | Very low | 48 Ų | 48 | 101.2 Ų | 101.2 | 32% | 0.324 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.3 | -80 | 0 | 0 | 0 | 0 | 112.9 | T5 A6 V12 F13 | T5-C9 PolarHBondContact O-N 3.18Å; A6-C9 PolarHBondContact O-N 3.4Å; C9-V12 PolarHBondContact O-N 3.22Å; C9-F13 VanDerWaalsContact O-CB 3.24Å; C9-F13 WeakPolarHBondContact O-CB 3.5Å; C9-F13 PolarHBondContact O-N 2.85Å |
| 10 | V | 35.9 | Very low | 37.1 | Very low | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | A6 L7 G8 F13 L14 | A6-V10 WeakPolarHBondContact O-CB 3.27Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.44Å; L7-V10 PolarHBondContact O-N 2.94Å; G8-V10 VanDerWaalsContact C-N 3.35Å; G8-V10 PolarHBondContact O-N 3.49Å; V10-F13 WeakPolarHBondContact O-CB 3.11Å; V10-F13 PolarHBondContact O-N 2.81Å; V10-L14 HydrophobicContact CG1-CD1 3.52Å; V10-L14 WeakPolarHBondContact O-CD1 3.2Å; V10-L14 PolarHBondContact O-N 3.13Å |
| 11 | C | 35.6 | Very low | 37.2 | Very low | 91 Ų | 91 | 101.6 Ų | 101.6 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 173.9 | -92.8 | 0 | 0 | 0 | 0 | 112.4 | L7 G8 F13 L14 R15 | L7-C11 PolarHBondContact O-N 3.21Å; G8-C11 PolarHBondContact O-N 3.26Å; C11-F13 VanDerWaalsContact C-N 3.3Å; C11-F13 PolarHBondContact O-N 3.44Å; C11-L14 PolarHBondContact O-N 3.32Å; C11-R15 VanDerWaalsContact O-CB 3.25Å; C11-R15 WeakPolarHBondContact O-CB 3.23Å; C11-R15 PolarHBondContact O-N 3.14Å |
| 12 | V | 39.2 | Very low | 37.3 | Very low | 86 Ų | 86 | 99.2 Ų | 99.2 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | G8 C9 R15 C16 | G8-V12 WeakPolarHBondContact O-CG2 3.28Å; G8-V12 PolarHBondContact O-N 2.81Å; C9-V12 PolarHBondContact O-N 3.22Å; V12-R15 PolarHBondContact O-N 3.29Å; V12-C16 WeakPolarHBondContact O-CB 3.03Å; V12-C16 PolarHBondContact O-N 3.16Å |
| 13 | F | 38.3 | Very low | 37.7 | Very low | 92 Ų | 92 | 96.9 Ų | 96.9 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -52.5 | 174.2 | 175.7 | -121.7 | 0 | 0 | 0 | 112.9 | C9 V10 C11 R15 C16 V17 W178 | C9-F13 VanDerWaalsContact O-CB 3.24Å; C9-F13 WeakPolarHBondContact O-CB 3.5Å; C9-F13 PolarHBondContact O-N 2.85Å; V10-F13 WeakPolarHBondContact O-CB 3.11Å; V10-F13 PolarHBondContact O-N 2.81Å; C11-F13 VanDerWaalsContact C-N 3.3Å; C11-F13 PolarHBondContact O-N 3.44Å; F13-R15 PolarHBondContact O-N 3.4Å; F13-C16 PolarHBondContact O-N 3.02Å; F13-V17 HydrophobicContact CD2-CG2 3.59Å; F13-V17 HydrophobicContact CE1-CG2 4.48Å; F13-V17 HydrophobicContact CE2-CG2 3.41Å; F13-V17 VanDerWaalsContact CE2-CG2 3.41Å; F13-V17 HydrophobicContact CG-CG2 4.31Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 VanDerWaalsContact O-CB 3.31Å; F13-V17 WeakPolarHBondContact O-CB 3.38Å; F13-V17 VanDerWaalsContact O-CG2 3.25Å; F13-V17 WeakPolarHBondContact O-CG2 3.13Å; F13-V17 PolarHBondContact O-N 3.44Å; F13-W178 HydrophobicContact CB-CH2 3.62Å; F13-W178 HydrophobicContact CB-CZ3 4.07Å; F13-W178 HydrophobicContact CD1-CH2 4.49Å; F13-W178 AromaticContact CD2-CH2 3.21Å; F13-W178 HydrophobicContact CD2-CH2 3.21Å; F13-W178 AromaticContact CD2-CZ3 3.38Å; F13-W178 HydrophobicContact CD2-CZ3 3.38Å; F13-W178 AromaticContact CE2-CH2 3.84Å; F13-W178 HydrophobicContact CE2-CH2 3.84Å; F13-W178 HydrophobicContact CE2-CZ3 4.06Å; F13-W178 AromaticContact CG-CH2 3.54Å; F13-W178 HydrophobicContact CG-CH2 3.54Å; F13-W178 HydrophobicContact CG-CZ3 4.07Å |
| 14 | L | 38.9 | Very low | 38.2 | Very low | 114 Ų | 114 | 89.4 Ų | 89.4 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.4 | -30.9 | 178.8 | -90 | 92.3 | 0 | 0 | 0 | 111.7 | V10 C11 G18 | V10-L14 HydrophobicContact CG1-CD1 3.52Å; V10-L14 WeakPolarHBondContact O-CD1 3.2Å; V10-L14 PolarHBondContact O-N 3.13Å; C11-L14 PolarHBondContact O-N 3.32Å; L14-G18 WeakPolarHBondContact O-CA 3.39Å; L14-G18 PolarHBondContact O-N 2.99Å |
| 15 | R | 44.6 | Very low | 38.4 | Very low | 194 Ų | 194 | 87.9 Ų | 87.9 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76.9 | -39.3 | 177.9 | -162.3 | 164.2 | 178.2 | 158.5 | -4.5 | 112.2 | C11 V12 F13 G18 E19 | C11-R15 VanDerWaalsContact O-CB 3.25Å; C11-R15 WeakPolarHBondContact O-CB 3.23Å; C11-R15 PolarHBondContact O-N 3.14Å; V12-R15 PolarHBondContact O-N 3.29Å; F13-R15 PolarHBondContact O-N 3.4Å; R15-G18 PolarHBondContact O-N 3.4Å; R15-E19 WeakPolarHBondContact O-CB 3.44Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 3.25Å |
| 16 | C | 39 | Very low | 38.5 | Very low | 28 Ų | 28 | 87.5 Ų | 87.5 | 19% | 0.189 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71 | -44 | 175.4 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | V12 F13 G18 E19 I20 | V12-C16 WeakPolarHBondContact O-CB 3.03Å; V12-C16 PolarHBondContact O-N 3.16Å; F13-C16 PolarHBondContact O-N 3.02Å; C16-G18 VanDerWaalsContact C-N 3.27Å; C16-G18 PolarHBondContact O-N 3.05Å; C16-E19 PolarHBondContact O-N 3.49Å; C16-I20 WeakPolarHBondContact O-CB 3.16Å; C16-I20 WeakPolarHBondContact O-CD1 3.5Å; C16-I20 WeakPolarHBondContact O-CG1 3.49Å; C16-I20 PolarHBondContact O-N 2.68Å |
| 17 | V | 41.3 | Very low | 38.8 | Very low | 66 Ų | 66 | 88 Ų | 88 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F13 R21 | F13-V17 HydrophobicContact CD2-CG2 3.59Å; F13-V17 HydrophobicContact CE1-CG2 4.48Å; F13-V17 HydrophobicContact CE2-CG2 3.41Å; F13-V17 VanDerWaalsContact CE2-CG2 3.41Å; F13-V17 HydrophobicContact CG-CG2 4.31Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 VanDerWaalsContact O-CB 3.31Å; F13-V17 WeakPolarHBondContact O-CB 3.38Å; F13-V17 VanDerWaalsContact O-CG2 3.25Å; F13-V17 WeakPolarHBondContact O-CG2 3.13Å; F13-V17 PolarHBondContact O-N 3.44Å; V17-R21 WeakPolarHBondContact O-CB 3.47Å; V17-R21 PolarHBondContact O-N 2.86Å |
| 18 | G | 38.8 | Very low | 38.8 | Very low | 36 Ų | 36 | 89.3 Ų | 89.3 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 R15 C16 R21 W22 | L14-G18 WeakPolarHBondContact O-CA 3.39Å; L14-G18 PolarHBondContact O-N 2.99Å; R15-G18 PolarHBondContact O-N 3.4Å; C16-G18 VanDerWaalsContact C-N 3.27Å; C16-G18 PolarHBondContact O-N 3.05Å; G18-R21 PolarHBondContact O-N 3.45Å; G18-W22 WeakPolarHBondContact O-CB 3.44Å; G18-W22 PolarHBondContact O-N 3.02Å |
| 19 | E | 44.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 90.3 Ų | 90.3 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 178.3 | -77.2 | -67.8 | 162.5 | 0 | 0 | 112.3 | R15 C16 R21 W22 F23 | R15-E19 WeakPolarHBondContact O-CB 3.44Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 3.25Å; C16-E19 PolarHBondContact O-N 3.49Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.22Å; E19-W22 CarbonylContact O-C 3.57Å; E19-W22 PolarHBondContact O-N 2.94Å; E19-F23 WeakPolarHBondContact O-CB 3.21Å; E19-F23 PolarHBondContact O-N 2.9Å |
| 20 | I | 41.2 | Very low | 38.6 | Very low | 36 Ų | 36 | 90.2 Ų | 90.2 | 19% | 0.185 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 173.9 | -68.1 | 160.9 | 0 | 0 | 0 | 109.7 | C16 W22 F23 I24 W257 | C16-I20 WeakPolarHBondContact O-CB 3.16Å; C16-I20 WeakPolarHBondContact O-CD1 3.5Å; C16-I20 WeakPolarHBondContact O-CG1 3.49Å; C16-I20 PolarHBondContact O-N 2.68Å; I20-W22 VanDerWaalsContact C-N 3.34Å; I20-W22 PolarHBondContact O-N 3.29Å; I20-F23 PolarHBondContact O-N 2.85Å; I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 VanDerWaalsContact O-CB 3.32Å; I20-I24 WeakPolarHBondContact O-CB 3.29Å; I20-I24 WeakPolarHBondContact O-CD1 3.43Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.36Å; I20-W257 HydrophobicContact CG1-CH2 4.12Å; I20-W257 HydrophobicContact CG1-CZ3 4.38Å |
| 21 | R | 38.7 | Very low | 38.5 | Very low | 176 Ų | 176 | 89.6 Ų | 89.6 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.5 | -38.6 | 176.2 | -162.1 | 171.9 | 87.5 | 173.1 | 6.7 | 111.3 | V17 G18 E19 L25 | V17-R21 WeakPolarHBondContact O-CB 3.47Å; V17-R21 PolarHBondContact O-N 2.86Å; G18-R21 PolarHBondContact O-N 3.45Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.22Å; R21-L25 HydrophobicContact CG-CD1 4.06Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CD1 3.31Å; R21-L25 WeakPolarHBondContact O-CD1 3.39Å; R21-L25 VanDerWaalsContact O-CG 3.28Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 2.98Å |
| 22 | W | 37.3 | Very low | 38.1 | Very low | 165 Ų | 165 | 95 Ų | 95 | 63% | 0.625 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.8 | -35.9 | 177 | -162.7 | 87.9 | 0 | 0 | 0 | 112.3 | G18 E19 I20 L25 T26 | G18-W22 WeakPolarHBondContact O-CB 3.44Å; G18-W22 PolarHBondContact O-N 3.02Å; E19-W22 CarbonylContact O-C 3.57Å; E19-W22 PolarHBondContact O-N 2.94Å; I20-W22 VanDerWaalsContact C-N 3.34Å; I20-W22 PolarHBondContact O-N 3.29Å; W22-L25 CarbonylContact O-C 3.6Å; W22-L25 PolarHBondContact O-N 3.36Å; W22-T26 WeakPolarHBondContact O-CB 3.38Å; W22-T26 PolarHBondContact O-N 3.43Å; W22-T26 PolarHBondContact O-OG1 3.41Å |
| 23 | F | 39.3 | Very low | 37.5 | Very low | 106 Ų | 106 | 95.6 Ų | 95.6 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -44.5 | 175.1 | -174.6 | -106.3 | 0 | 0 | 0 | 111.2 | E19 I20 T26 L27 | E19-F23 WeakPolarHBondContact O-CB 3.21Å; E19-F23 PolarHBondContact O-N 2.9Å; I20-F23 PolarHBondContact O-N 2.85Å; F23-T26 PolarHBondContact O-N 3.23Å; F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CE1-CD1 3.21Å; F23-L27 HydrophobicContact CE1-CG 4.28Å; F23-L27 HydrophobicContact CE2-CD1 4.39Å; F23-L27 HydrophobicContact CG-CD1 4.4Å; F23-L27 HydrophobicContact CZ-CD1 3.64Å; F23-L27 HydrophobicContact CZ-CG 4.32Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 2.89Å |
| 24 | I | 40.6 | Very low | 37.1 | Very low | 55 Ų | 55 | 96 Ų | 96 | 28% | 0.282 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 170.7 | -68.1 | 167.1 | 0 | 0 | 0 | 109.5 | I20 T26 L27 F28 L189 | I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 VanDerWaalsContact O-CB 3.32Å; I20-I24 WeakPolarHBondContact O-CB 3.29Å; I20-I24 WeakPolarHBondContact O-CD1 3.43Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.36Å; I24-T26 VanDerWaalsContact C-N 3.31Å; I24-T26 PolarHBondContact O-N 3.49Å; I24-L27 PolarHBondContact O-N 2.92Å; I24-F28 HydrophobicContact CG2-CD2 3.82Å; I24-F28 HydrophobicContact CG2-CE2 4.13Å; I24-F28 WeakPolarHBondContact O-CB 3.16Å; I24-F28 VanDerWaalsContact O-CD2 3.28Å; I24-F28 WeakPolarHBondContact O-CD2 2.99Å; I24-F28 PolarHBondContact O-N 3.39Å; I24-L189 HydrophobicContact CD1-CD1 4.25Å; I24-L189 HydrophobicContact CD1-CD2 4.05Å; I24-L189 HydrophobicContact CG1-CD2 4.25Å |
| 25 | L | 37.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 96.5 Ų | 96.5 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 176 | -86.6 | 156.8 | 0 | 0 | 0 | 112 | R21 W22 A29 | R21-L25 HydrophobicContact CG-CD1 4.06Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CD1 3.31Å; R21-L25 WeakPolarHBondContact O-CD1 3.39Å; R21-L25 VanDerWaalsContact O-CG 3.28Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 2.98Å; W22-L25 CarbonylContact O-C 3.6Å; W22-L25 PolarHBondContact O-N 3.36Å; L25-A29 WeakPolarHBondContact O-CA 2.97Å; L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.49Å |
| 26 | T | 39.7 | Very low | 36.1 | Very low | 62 Ų | 62 | 94.4 Ų | 94.4 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.1 | -38.3 | -179.7 | -61 | 0 | 0 | 0 | 0 | 112 | W22 F23 I24 G30 | W22-T26 WeakPolarHBondContact O-CB 3.38Å; W22-T26 PolarHBondContact O-N 3.43Å; W22-T26 PolarHBondContact O-OG1 3.41Å; F23-T26 PolarHBondContact O-N 3.23Å; I24-T26 VanDerWaalsContact C-N 3.31Å; I24-T26 PolarHBondContact O-N 3.49Å; T26-G30 WeakPolarHBondContact O-CA 3.4Å; T26-G30 PolarHBondContact O-N 3.49Å |
| 27 | L | 40 | Very low | 35.7 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 171.1 | -95 | 163.5 | 0 | 0 | 0 | 111.3 | F23 I24 R31 | F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CE1-CD1 3.21Å; F23-L27 HydrophobicContact CE1-CG 4.28Å; F23-L27 HydrophobicContact CE2-CD1 4.39Å; F23-L27 HydrophobicContact CG-CD1 4.4Å; F23-L27 HydrophobicContact CZ-CD1 3.64Å; F23-L27 HydrophobicContact CZ-CG 4.32Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 2.89Å; I24-L27 PolarHBondContact O-N 2.92Å; L27-R31 WeakPolarHBondContact O-CB 3.28Å; L27-R31 WeakPolarHBondContact O-CG 3.44Å; L27-R31 PolarHBondContact O-N 3.15Å |
| 28 | F | 35.2 | Very low | 35.2 | Very low | 144 Ų | 144 | 108.1 Ų | 108.1 | 63% | 0.632 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.8 | -32.7 | 179.4 | -83.2 | -89.1 | 0 | 0 | 0 | 113 | I24 R32 | I24-F28 HydrophobicContact CG2-CD2 3.82Å; I24-F28 HydrophobicContact CG2-CE2 4.13Å; I24-F28 WeakPolarHBondContact O-CB 3.16Å; I24-F28 VanDerWaalsContact O-CD2 3.28Å; I24-F28 WeakPolarHBondContact O-CD2 2.99Å; I24-F28 PolarHBondContact O-N 3.39Å; F28-R32 PolarHBondContact O-N 2.93Å; F28-R32 VanDerWaalsContact O-N 3.12Å |
| 29 | A | 34.2 | Very low | 34.6 | Very low | 58 Ų | 58 | 110.1 Ų | 110.1 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -77.1 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L25 R31 R32 | L25-A29 WeakPolarHBondContact O-CA 2.97Å; L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.49Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.86Å; A29-R32 PolarHBondContact O-N 3.1Å |
| 30 | G | 31.2 | Very low | 33.9 | Very low | 46 Ų | 46 | 113.1 Ų | 113.1 | 47% | 0.474 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.3 | -36.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T26 | T26-G30 WeakPolarHBondContact O-CA 3.4Å; T26-G30 PolarHBondContact O-N 3.49Å |
| 31 | R | 33.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 118.6 Ų | 118.6 | 25% | 0.253 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.3 | -21.5 | 174.1 | -77.8 | -179.7 | -172 | -175.1 | 0.9 | 114.4 | L27 A29 S33 S34 V35 Y197 | L27-R31 WeakPolarHBondContact O-CB 3.28Å; L27-R31 WeakPolarHBondContact O-CG 3.44Å; L27-R31 PolarHBondContact O-N 3.15Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.86Å; R31-S33 PolarHBondContact O-N 2.87Å; R31-S34 PolarHBondContact O-N 3.19Å; R31-S34 VanDerWaalsContact O-N 3.1Å; R31-V35 WeakPolarHBondContact O-CG2 3.45Å; R31-V35 PolarHBondContact O-N 3.35Å; R31-Y197 PolarHBondContact NH2-OH 3.32Å |
| 32 | R | 27.7 | Very low | 33 | Very low | 203 Ų | 203 | 114 Ų | 114 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.3 | -28.6 | 176.4 | -137.3 | 178.7 | -164.6 | -174.2 | 4.3 | 112.3 | F28 A29 | F28-R32 PolarHBondContact O-N 2.93Å; F28-R32 VanDerWaalsContact O-N 3.12Å; A29-R32 PolarHBondContact O-N 3.1Å |
| 33 | S | 27.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.3 | -28.1 | 172.8 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | R31 | R31-S33 PolarHBondContact O-N 2.87Å |
| 34 | S | 29.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.5 | -19.6 | 179.6 | -42.2 | 0 | 0 | 0 | 0 | 113.6 | R31 | R31-S34 PolarHBondContact O-N 3.19Å; R31-S34 VanDerWaalsContact O-N 3.1Å |
| 35 | V | 32.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 117 Ų | 117 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -88.7 | -13.5 | -177.8 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | R31 | R31-V35 WeakPolarHBondContact O-CG2 3.45Å; R31-V35 PolarHBondContact O-N 3.35Å |
| 36 | L | 29.8 | Very low | 32 | Very low | 150 Ų | 150 | 118.5 Ų | 118.5 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -105.2 | 46.2 | -172.7 | -155.6 | 113.8 | 0 | 0 | 0 | 114.7 | ||
| 37 | L | 29.6 | Very low | 31.5 | Very low | 165 Ų | 165 | 121.7 Ų | 121.7 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -152.6 | 73.3 | 169.3 | -114.7 | 154.4 | 0 | 0 | 0 | 113 | ||||
| 38 | K | 31.2 | Very low | 31 | Very low | 217 Ų | 217 | 127.1 Ų | 127.1 | 94% | 0.943 | 74% | 0.744 | S | S | * | * | trans | -162 | 96.9 | 139.4 | -150.6 | 161.2 | 178.9 | 170.7 | 0 | 110.9 | ||||
| 39 | G | 27.2 | Very low | 30.7 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | trans | -160.7 | 117.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 40 | N | 29.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -72.8 | 161.1 | -162.8 | -165.5 | 55.1 | 0 | 0 | 0 | 115.3 | ||||
| 41 | D | 30.6 | Very low | 30.7 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -51.4 | 154 | -171.4 | -65.9 | -85.2 | 0 | 0 | 0 | 120.3 | ||||
| 42 | G | 29.4 | Very low | 30.7 | Very low | 80 Ų | 80 | 154.7 Ų | 154.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -165.2 | 105.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 43 | E | 31.7 | Very low | 31.1 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -71 | 145.7 | -176.4 | -156.6 | -160.3 | 136.8 | 0 | 0 | 113.6 | ||||
| 44 | V | 30.2 | Very low | 31.4 | Very low | 139 Ų | 139 | 162.4 Ų | 162.4 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | trans | 178.7 | 121.6 | 138.8 | 167.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 45 | G | 29 | Very low | 31.5 | Very low | 61 Ų | 61 | 167.7 Ų | 167.7 | 63% | 0.629 | 85% | 0.853 | S | S | * | * | trans | -92.3 | -158.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 46 | P | 43.2 | Very low | 31.4 | Very low | 134 Ų | 134 | 170 Ų | 170 | 87% | 0.87 | 85% | 0.853 | S | S | * | * | -125.9 | 158 | -54.7 | 36.6 | -23.6 | 0 | 0 | 0 | 112.1 | |||||
| 47 | S | 29.1 | Very low | 31.5 | Very low | 129 Ų | 129 | 169.7 Ų | 169.7 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | trans | -159.5 | 143.6 | 155 | -166.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 48 | M | 29 | Very low | 31.6 | Very low | 178 Ų | 178 | 167.5 Ų | 167.5 | 88% | 0.877 | 85% | 0.847 | S | S | * | * | trans | -77.2 | 154.9 | -168 | -62.1 | -151.3 | -71.7 | 0 | 0 | 114.3 | ||||
| 49 | R | 29.8 | Very low | 31.7 | Very low | 230 Ų | 230 | 166.8 Ų | 166.8 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | 155.8 | 109.7 | 109.3 | -161 | 171.3 | -166.7 | -171.9 | 3 | 114.6 | |||||
| 50 | R | 33.9 | Very low | 32.1 | Very low | 230 Ų | 230 | 169 Ų | 169 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | 39.5 | 120.1 | 143.5 | -80.5 | 179.7 | 165.6 | 173.8 | -2.9 | 122.6 | ||||
| 51 | K | 30.9 | Very low | 32.2 | Very low | 202 Ų | 202 | 169.9 Ų | 169.9 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | 155.7 | 138.6 | 124.6 | -94.7 | 174.1 | 175.5 | 174.2 | 0 | 107.9 | |||||
| 52 | R | 32.2 | Very low | 32.4 | Very low | 232 Ų | 232 | 168 Ų | 168 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | cis | -155.8 | 142 | 22.5 | -107.5 | 169.3 | 163 | -174.5 | -4.9 | 107.3 | K54 | R52-K54 PolarHBondContact O-N 3.34Š| ||
| 53 | R | 38 | Very low | 32.7 | Very low | 261 Ų | 261 | 170.9 Ų | 170.9 | 99% | 0.985 | 83% | 0.831 | S | S | * | * | trans | -66 | 124.9 | 175.2 | -79.4 | 178.1 | 169.7 | -176.1 | -4.2 | 110.7 | ||||
| 54 | K | 33.3 | Very low | 33 | Very low | 203 Ų | 203 | 167.9 Ų | 167.9 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -117.8 | 132.8 | 162.1 | -144.2 | 175.1 | -177.3 | -175.4 | 0 | 107.4 | R52 K56 | R52-K54 PolarHBondContact O-N 3.34Å; K54-K56 PolarHBondContact O-N 3.19Å | ||
| 55 | K | 32.4 | Very low | 33.1 | Very low | 212 Ų | 212 | 167.2 Ų | 167.2 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -50.3 | 124 | -172.5 | -155.8 | 178.3 | -178.9 | -165.1 | 0 | 110.3 | ||||
| 56 | K | 28.8 | Very low | 33.2 | Very low | 174 Ų | 174 | 173.7 Ų | 173.7 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -95.6 | 113.6 | -178.3 | -171.5 | 179.7 | 179.6 | -167.2 | 0 | 107.5 | K54 | K54-K56 PolarHBondContact O-N 3.19Š| ||
| 57 | D | 33 | Very low | 32.5 | Very low | 142 Ų | 142 | 177.6 Ų | 177.6 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 143.2 | 168.9 | -83.9 | -64.2 | 0 | 0 | 0 | 110.4 | R59 | D57-R59 PolarHBondContact O-N 3.07Š|
| 58 | P | 32.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 176.9 Ų | 176.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.1 | -177.9 | 29.1 | -31 | 0 | 0 | 0 | 109.2 | ||
| 59 | R | 32.8 | Very low | 32.7 | Very low | 203 Ų | 203 | 175.8 Ų | 175.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 143.5 | 169.1 | -61.6 | -162.1 | -143.4 | -152.8 | 8.8 | 108.7 | D57 E61 | D57-R59 PolarHBondContact O-N 3.07Å; R59-E61 PolarHBondContact O-N 3.02Å |
| 60 | P | 35.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 172.8 Ų | 172.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -70 | 115.2 | 165.5 | 27.9 | -29.4 | 0 | 0 | 0 | 108.7 | S62 | P60-S62 PolarHBondContact O-N 3.2Š| ||
| 61 | E | 31.8 | Very low | 32.4 | Very low | 175 Ų | 175 | 170.6 Ų | 170.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 105.1 | 167.2 | -68.7 | -177.3 | 171.9 | 0 | 0 | 107.6 | R59 I63 | R59-E61 PolarHBondContact O-N 3.02Å; E61-I63 PolarHBondContact O-N 2.9Å; E61-I63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | S | 34.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 172 Ų | 172 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 97.5 | 169.8 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | P60 | P60-S62 PolarHBondContact O-N 3.2Š| ||
| 63 | I | 35.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 165.7 Ų | 165.7 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | trans | -81.8 | 121.5 | 179.5 | -131 | 163.9 | 0 | 0 | 0 | 108.8 | E61 V65 | E61-I63 PolarHBondContact O-N 2.9Å; E61-I63 VanDerWaalsContact O-N 3.11Å; I63-V65 HydrophobicContact CG2-CG2 3.99Å | ||
| 64 | I | 37.8 | Very low | 32 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -101 | 109.9 | 175.6 | -54.8 | 172.3 | 0 | 0 | 0 | 106.4 | Y66 | I64-Y66 HydrophobicContact CB-CE2 4.34Å; I64-Y66 HydrophobicContact CG2-CD2 4.06Å; I64-Y66 HydrophobicContact CG2-CE2 3.5Å; I64-Y66 VanDerWaalsContact CG2-CE2 3.5Å | ||
| 65 | V | 32.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -96.6 | 113.8 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | I63 | I63-V65 HydrophobicContact CG2-CG2 3.99Š| ||
| 66 | Y | 30.3 | Very low | 31.6 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -89.3 | 120.2 | 170.7 | -70.6 | -89.3 | 0 | 0 | 0 | 109.5 | I64 | I64-Y66 HydrophobicContact CB-CE2 4.34Å; I64-Y66 HydrophobicContact CG2-CD2 4.06Å; I64-Y66 HydrophobicContact CG2-CE2 3.5Å; I64-Y66 VanDerWaalsContact CG2-CE2 3.5Å | ||
| 67 | R | 29 | Very low | 31.5 | Very low | 217 Ų | 217 | 152 Ų | 152 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -99.9 | 103.6 | 167.8 | -159.9 | -177.9 | -166.2 | 143 | 3.3 | 107.9 | E69 | R67-E69 IonicContact NE-OE1 3.17Å; R67-E69 PolarHBondContact NE-OE1 3.4Å; R67-E69 IonicContact NH2-OE1 2.72Å | ||
| 68 | S | 34.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -94.1 | 118.8 | 167.9 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 69 | E | 28.3 | Very low | 31 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -112 | 111.8 | 162.3 | -65.7 | -159.4 | -168.3 | 0 | 0 | 109.8 | R67 | R67-E69 IonicContact NE-OE1 3.17Å; R67-E69 PolarHBondContact NE-OE1 3.4Å; R67-E69 IonicContact NH2-OE1 2.72Å | ||
| 70 | M | 32 | Very low | 30.6 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -38.6 | 135 | 153 | -156 | 86.9 | 73.6 | 0 | 0 | 109.4 | ||||
| 71 | E | 26.1 | Very low | 30.2 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -167 | 137.5 | 89.9 | -147.6 | 172.5 | 125.1 | 0 | 0 | 110.7 | |||||
| 72 | R | 29.4 | Very low | 30 | Very low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -87.9 | 144.7 | 172.7 | -76.9 | -179.4 | 173.2 | 85.7 | -2.2 | 109.8 | ||||
| 73 | A | 28.2 | Very low | 29.5 | Very low | 100 Ų | 100 | 149 Ų | 149 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -149.5 | 136.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 74 | P | 34 | Very low | 29 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -110.1 | 167.5 | -171.6 | 40.5 | -31.6 | 0 | 0 | 0 | 114.7 | ||||
| 75 | G | 28.5 | Very low | 28.4 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 109.2 | 143.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 76 | E | 29.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | cis | -157.4 | -167.9 | 4.3 | -91.2 | 178.8 | 128 | 0 | 0 | 107.5 | ||||
| 77 | E | 27.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | trans | -90.4 | 170.2 | -146.2 | -53 | 175.5 | 115.9 | 0 | 0 | 118.3 | ||||
| 78 | Q | 26.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 83.6 | 125.1 | 141.4 | -95.8 | 174.3 | 11.9 | 0 | 0 | 124.3 | ||||
| 79 | S | 26 | Very low | 27.6 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 57.6 | 122.9 | 139.7 | 71.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 80 | G | 25.3 | Very low | 27.6 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 85.3 | 126 | 114.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 81 | E | 27.2 | Very low | 27.3 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 92 | 165.2 | 144.1 | -132.7 | 155.9 | 107.2 | 0 | 0 | 121.1 | ||||
| 82 | E | 27.3 | Very low | 27.5 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 165.3 | -140.5 | -65 | 169.7 | 127.5 | 0 | 0 | 120.1 | ||||
| 83 | G | 24.8 | Very low | 27.5 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 111 | 135.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 84 | G | 25 | Very low | 27.3 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 106.5 | 93.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 85 | E | 25.9 | Very low | 27.3 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 37.6 | 132.1 | 134.2 | -52 | -166.1 | 100.1 | 0 | 0 | 125.7 | ||||
| 86 | R | 28.5 | Very low | 27.3 | Very low | 210 Ų | 210 | 140.3 Ų | 140.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | 78.8 | 124.6 | 131.3 | -100.3 | -177.7 | 176.8 | 104 | -2.8 | 124.3 | ||||
| 87 | S | 25.9 | Very low | 27.3 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | 105.1 | 125.9 | 124 | -146.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 88 | T | 24.8 | Very low | 27.7 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | 51 | 144.1 | 136.5 | 51.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 89 | E | 28.1 | Very low | 27.7 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | cis | -179.5 | 161.5 | 14.1 | -112.2 | 166.6 | 159.1 | 0 | 0 | 106.3 | ||||
| 90 | E | 29.8 | Very low | 27.8 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 147.6 | 156.7 | -63.3 | 173.1 | 150.7 | 0 | 0 | 118.5 | ||||
| 91 | G | 24.8 | Very low | 27.9 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 151.4 | 123.5 | 14 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 92 | A | 30.6 | Very low | 28.1 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | 42.5 | 119.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 93 | K | 29.6 | Very low | 28.2 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -170.7 | 101.9 | 132.5 | -116 | 177.2 | 178.4 | -173.9 | 0 | 110.3 | ||||
| 94 | F | 23.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 55.8 | 105.7 | 86.9 | -88.7 | -84.6 | 0 | 0 | 0 | 116 | |||||
| 95 | L | 35.3 | Very low | 28.8 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 42.4 | 122.3 | 138.8 | -57.8 | 176.5 | 0 | 0 | 0 | 119.8 | ||||
| 96 | G | 28.6 | Very low | 29.1 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -150.4 | 83.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 97 | T | 28.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 146.8 | 159.3 | -13.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 98 | P | 35.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -108.4 | 122.7 | 150.2 | 27.1 | -14.3 | 0 | 0 | 0 | 110.4 | ||||
| 99 | T | 28.5 | Very low | 30.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -75.2 | 147.9 | 171.2 | 9.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 100 | G | 27.1 | Very low | 30.6 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 106.8 | 133.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 101 | E | 28.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | cis | -168.1 | 147.8 | -6.8 | -122.7 | 166.9 | 145.1 | 0 | 0 | 105.1 | ||||
| 102 | E | 29.8 | Very low | 31.6 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 47 | 95 | 164.5 | -71.8 | -172.6 | 121.6 | 0 | 0 | 120.9 | ||||
| 103 | R | 29.2 | Very low | 31.7 | Very low | 213 Ų | 213 | 145.5 Ų | 145.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -135.6 | 102.1 | 127.6 | -166.8 | 179.8 | -94.5 | -164 | -5.6 | 109.5 | W105 | R103-W105 PolarHBondContact O-N 3.35Š| |||
| 104 | D | 32.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -49.5 | 111.2 | 169 | -177.1 | 17.1 | 0 | 0 | 0 | 111.4 | N106 | D104-N106 PolarHBondContact OD1-ND2 3.36Š| ||
| 105 | W | 31.5 | Very low | 32.3 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -130.4 | 101.6 | 153.4 | -70.2 | 109.6 | 0 | 0 | 0 | 106.8 | R103 L107 | R103-W105 PolarHBondContact O-N 3.35Å; W105-L107 PolarHBondContact O-N 3.45Å | ||
| 106 | N | 32.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -53.5 | 105.1 | 168.4 | -82.9 | -102.7 | 0 | 0 | 0 | 110.1 | D104 | D104-N106 PolarHBondContact OD1-ND2 3.36Š| ||
| 107 | L | 35.7 | Very low | 33 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 69% | 0.686 | 73% | 0.727 | S | S | * | * | trans | -120.1 | 127.9 | 172.9 | -149.3 | 74.9 | 0 | 0 | 0 | 109.4 | W105 | W105-L107 PolarHBondContact O-N 3.45Š| ||
| 108 | P | 33.2 | Very low | 33.6 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | -67.7 | 148 | -174 | -17.3 | 29.9 | 0 | 0 | 0 | 113.7 | D110 | P108-D110 VanDerWaalsContact C-N 3.31Å; P108-D110 PolarHBondContact O-N 3.37Å | ||
| 109 | P | 36.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 46 | -169.5 | 36.5 | -37.1 | 0 | 0 | 0 | 114.8 | ||
| 110 | D | 33.5 | Very low | 34.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 7 | -179.9 | -83.8 | -37.9 | 0 | 0 | 0 | 115.9 | P108 R112 | P108-D110 VanDerWaalsContact C-N 3.31Å; P108-D110 PolarHBondContact O-N 3.37Å; D110-R112 VanDerWaalsContact C-N 3.35Å; D110-R112 PolarHBondContact O-N 2.94Å |
| 111 | S | 35.4 | Very low | 35 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 41% | 0.413 | 70% | 0.7 | S | S | . | * | trans | -80.6 | 83.7 | 172.5 | 60 | 0 | 0 | 0 | 0 | 110.3 | Y113 | S111-Y113 VanDerWaalsContact C-N 3.3Å; S111-Y113 WeakPolarHBondContact O-CD2 3.5Å; S111-Y113 WeakPolarHBondContact O-CE2 3.06Å; S111-Y113 PolarHBondContact O-N 2.89Å; S111-Y113 VanDerWaalsContact OG-CE2 3.23Å; S111-Y113 WeakPolarHBondContact OG-CE2 3.26Å; S111-Y113 PolarHBondContact OG-OH 2.84Å | ||
| 112 | R | 40.9 | Very low | 35.4 | Very low | 228 Ų | 228 | 138.5 Ų | 138.5 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | trans | -66.3 | 95 | 163.1 | -170.2 | -176.9 | -63.8 | -175.2 | 1.2 | 107.7 | D110 V114 | D110-R112 VanDerWaalsContact C-N 3.35Å; D110-R112 PolarHBondContact O-N 2.94Å; R112-V114 PolarHBondContact O-N 3.48Å | ||
| 113 | Y | 30.7 | Very low | 35.9 | Very low | 145 Ų | 145 | 133 Ų | 133 | 57% | 0.569 | 70% | 0.695 | S | S | * | * | trans | -63.9 | 129.5 | 177.4 | -56.9 | -84.7 | 0 | 0 | 0 | 109.8 | S111 H133 | S111-Y113 VanDerWaalsContact C-N 3.3Å; S111-Y113 WeakPolarHBondContact O-CD2 3.5Å; S111-Y113 WeakPolarHBondContact O-CE2 3.06Å; S111-Y113 PolarHBondContact O-N 2.89Å; S111-Y113 VanDerWaalsContact OG-CE2 3.23Å; S111-Y113 WeakPolarHBondContact OG-CE2 3.26Å; S111-Y113 PolarHBondContact OG-OH 2.84Å; Y113-H133 AromaticContact CD1-NE2 3.65Å | ||
| 114 | V | 30.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 62% | 0.624 | 70% | 0.7 | S | S | * | * | trans | -126.9 | 106.2 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | R112 | R112-V114 PolarHBondContact O-N 3.48Š| ||
| 115 | T | 36 | Very low | 36.7 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | trans | -71.4 | 125.2 | 170.8 | -67.3 | 0 | 0 | 0 | 0 | 109 | D131 | T115-D131 WeakPolarHBondContact CG2-OD2 2.95Å; T115-D131 PolarHBondContact OG1-OD2 3.47Å | ||
| 116 | L | 40.5 | Very low | 37 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | trans | -114.9 | 103.6 | 175.9 | -98.4 | 153 | 0 | 0 | 0 | 107.9 | G118 | L116-G118 PolarHBondContact O-N 2.85Å; L116-G118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | T | 38.3 | Very low | 37.6 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -68.6 | 109.9 | -177.7 | -42.6 | 0 | 0 | 0 | 0 | 110.6 | V129 | T117-V129 HydrophobicContact CG2-CB 4.39Å; T117-V129 HydrophobicContact CG2-CG1 3.91Å | ||
| 118 | G | 41.7 | Very low | 37.7 | Very low | 36 Ų | 36 | 136.7 Ų | 136.7 | 37% | 0.371 | 73% | 0.729 | S | S | . | * | trans | -110.1 | 131.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 | L116-G118 PolarHBondContact O-N 2.85Å; L116-G118 VanDerWaalsContact O-N 3.15Å | ||
| 119 | T | 34.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -86.1 | 115.1 | 168.2 | 30.9 | 0 | 0 | 0 | 0 | 110.3 | V129 | T119-V129 HydrophobicContact CG2-CG1 4.42Š| ||
| 120 | I | 39.4 | Very low | 38.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 64% | 0.641 | 71% | 0.713 | S | S | * | * | trans | -92.4 | 118.9 | 169.6 | -64.5 | 173.4 | 0 | 0 | 0 | 108.5 | ||||
| 121 | T | 45.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | -82.8 | 119.1 | 175 | 49 | 0 | 0 | 0 | 0 | 111 | ||||
| 122 | R | 37.6 | Very low | 38.2 | Very low | 242 Ų | 242 | 135.4 Ų | 135.4 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -146.4 | 111.1 | 154.8 | -161.9 | 174.7 | -178.3 | 150.2 | 0.9 | 111.5 | ||||
| 123 | G | 40.2 | Very low | 37.7 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 54.5 | 103.7 | 152 | 0 | 0 | 0 | 0 | 0 | 118.5 | K125 | G123-K125 PolarHBondContact O-N 3.49Š|
| 124 | K | 38.2 | Very low | 38.1 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 92% | 0.922 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 32.8 | 47.4 | 149.1 | -153.4 | -168.8 | -179.5 | 179.5 | 0 | 118.2 | ||
| 125 | K | 39.3 | Very low | 38.1 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 88% | 0.878 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -160.8 | 138.6 | 135.1 | -72.7 | -147.6 | -179.9 | -179 | 0 | 108.4 | G123 | G123-K125 PolarHBondContact O-N 3.49Š|
| 126 | K | 37.6 | Very low | 38.2 | Very low | 216 Ų | 216 | 131.7 Ų | 131.7 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | trans | -70.3 | 140.4 | -161.7 | -70 | 176.2 | 170.9 | -179 | 0 | 114.3 | ||||
| 127 | G | 45.3 | Very low | 38.5 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 71% | 0.706 | S | S | * | * | trans | 86.9 | 88.4 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 128 | Q | 37 | Very low | 38.4 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | -157.3 | 119.3 | 148.8 | -157.3 | 167 | 11.3 | 0 | 0 | 110 | ||||
| 129 | V | 38.5 | Very low | 38.5 | Very low | 90 Ų | 90 | 137 Ų | 137 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | trans | -75.7 | 135.6 | 172.7 | -79.5 | 0 | 0 | 0 | 0 | 109.3 | T117 T119 | T117-V129 HydrophobicContact CG2-CB 4.39Å; T117-V129 HydrophobicContact CG2-CG1 3.91Å; T119-V129 HydrophobicContact CG2-CG1 4.42Å | ||
| 130 | V | 39.1 | Very low | 38.8 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | trans | -124.2 | 123.2 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 131 | D | 30.5 | Very low | 38.8 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 46% | 0.46 | 71% | 0.705 | S | S | . | * | trans | -81.7 | 127.5 | -175.7 | -153.2 | 2.3 | 0 | 0 | 0 | 110 | T115 | T115-D131 WeakPolarHBondContact CG2-OD2 2.95Å; T115-D131 PolarHBondContact OG1-OD2 3.47Å | ||
| 132 | I | 40.8 | Very low | 38.3 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 65% | 0.646 | 69% | 0.689 | S | S | * | * | trans | -109.3 | 114.7 | 179.9 | -58.8 | 175.6 | 0 | 0 | 0 | 108.4 | V134 | I132-V134 HydrophobicContact CG2-CG2 4.14Š| ||
| 133 | H | 31.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 61% | 0.606 | 67% | 0.67 | S | S | * | * | trans | -90.9 | 110.8 | -178.4 | -151.7 | -113.1 | 0 | 0 | 0 | 110.5 | Y113 | Y113-H133 AromaticContact CD1-NE2 3.65Š| ||
| 134 | V | 38.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | trans | -111.9 | 119 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I132 L136 | I132-V134 HydrophobicContact CG2-CG2 4.14Å; V134-L136 PolarHBondContact O-N 2.96Å | ||
| 135 | T | 31 | Very low | 38.9 | Very low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -90.5 | 91.1 | 177 | 42.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 136 | L | 38.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 119.9 Ų | 119.9 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | trans | -80.7 | 121.2 | 163.2 | -76.4 | 171.6 | 0 | 0 | 0 | 109.1 | V134 | V134-L136 PolarHBondContact O-N 2.96Š| ||
| 137 | T | 45.4 | Very low | 38.8 | Very low | 96 Ų | 96 | 113 Ų | 113 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | trans | -82.1 | 133.4 | -173.9 | -19.9 | 0 | 0 | 0 | 0 | 110.6 | R139 E140 | T137-R139 PolarHBondContact O-N 3.49Å; T137-E140 PolarHBondContact O-N 3.31Å; T137-E140 VanDerWaalsContact O-N 3.14Å | ||
| 138 | E | 38.1 | Very low | 38.6 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -54.6 | -9.1 | -177 | -158.1 | -176.9 | 153.3 | 0 | 0 | 115.6 | R142 | E138-R142 WeakPolarHBondContact O-CB 3.15Å; E138-R142 PolarHBondContact O-N 2.84Å; E138-R142 IonicContact OE1-CZ 3.99Å; E138-R142 IonicContact OE1-NH2 3.88Å; E138-R142 PolarHBondContact OE1-NH2 3.48Å; E138-R142 IonicContact OE2-NH2 3.32Å |
| 139 | R | 42.2 | Very low | 38.9 | Very low | 193 Ų | 193 | 113.5 Ų | 113.5 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.6 | -38.1 | 178.4 | -61.8 | -178.7 | -176.9 | 174.6 | 1.4 | 112.1 | T137 R142 D143 | T137-R139 PolarHBondContact O-N 3.49Å; R139-R142 PolarHBondContact O-N 3Å; R139-D143 PolarHBondContact O-N 3.22Å |
| 140 | E | 41.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -36.4 | -179.7 | -61.7 | -64.9 | 147.8 | 0 | 0 | 111.7 | T137 R142 D143 L144 | T137-E140 PolarHBondContact O-N 3.31Å; T137-E140 VanDerWaalsContact O-N 3.14Å; E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 2.77Å; E140-D143 PolarHBondContact O-N 3.27Å; E140-L144 WeakPolarHBondContact O-CG 3.01Å; E140-L144 PolarHBondContact O-N 2.85Å; E140-L144 VanDerWaalsContact O-N 3.16Å |
| 141 | L | 38.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -38 | 172.6 | -85.7 | 164.4 | 0 | 0 | 0 | 112 | A145 | L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.19Å; L141-A145 PolarHBondContact O-N 3.49Å |
| 142 | R | 35.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 120 Ų | 120 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71 | -33.9 | -179.5 | -138.3 | -179.6 | -60.5 | -124.6 | -0.8 | 112.4 | E138 R139 E140 K146 | E138-R142 WeakPolarHBondContact O-CB 3.15Å; E138-R142 PolarHBondContact O-N 2.84Å; E138-R142 IonicContact OE1-CZ 3.99Å; E138-R142 IonicContact OE1-NH2 3.88Å; E138-R142 PolarHBondContact OE1-NH2 3.48Å; E138-R142 IonicContact OE2-NH2 3.32Å; R139-R142 PolarHBondContact O-N 3Å; E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 2.77Å; R142-K146 WeakPolarHBondContact O-CB 3.33Å; R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.39Å; R142-K146 PolarHBondContact O-N 3.2Å |
| 143 | D | 43.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.7 | -34.4 | 178.1 | -75.2 | -15.7 | 0 | 0 | 0 | 111.9 | R139 E140 S147 | R139-D143 PolarHBondContact O-N 3.22Å; E140-D143 PolarHBondContact O-N 3.27Å; D143-S147 PolarHBondContact O-N 3.06Å; D143-S147 VanDerWaalsContact O-N 3.16Å |
| 144 | L | 41.8 | Very low | 40.3 | Very low | 118 Ų | 118 | 118 Ų | 118 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -44 | 170.2 | -69 | 173.5 | 0 | 0 | 0 | 111.9 | E140 S147 K148 | E140-L144 WeakPolarHBondContact O-CG 3.01Å; E140-L144 PolarHBondContact O-N 2.85Å; E140-L144 VanDerWaalsContact O-N 3.16Å; L144-S147 PolarHBondContact O-N 3.44Å; L144-S147 PolarHBondContact O-OG 2.75Å; L144-K148 PolarHBondContact O-N 2.93Å; L144-K148 VanDerWaalsContact O-N 3.17Å |
| 145 | A | 43.3 | Very low | 40.4 | Very low | 51 Ų | 51 | 116.2 Ų | 116.2 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L141 S147 K148 E149 | L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.19Å; L141-A145 PolarHBondContact O-N 3.49Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 2.95Å; A145-K148 PolarHBondContact O-N 2.86Å; A145-E149 VanDerWaalsContact O-CB 3.29Å; A145-E149 WeakPolarHBondContact O-CB 3.17Å; A145-E149 PolarHBondContact O-N 3.21Å |
| 146 | K | 36.7 | Very low | 40.9 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62 | -33.7 | 175.2 | -83.9 | 175.4 | -179.2 | 169.2 | 0 | 113.2 | R142 R150 | R142-K146 WeakPolarHBondContact O-CB 3.33Å; R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.39Å; R142-K146 PolarHBondContact O-N 3.2Å; K146-R150 WeakPolarHBondContact O-CB 3.13Å; K146-R150 WeakPolarHBondContact O-CG 3.35Å; K146-R150 PolarHBondContact O-N 3.29Å |
| 147 | S | 38.9 | Very low | 41 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.7 | -38.4 | 177.9 | 77.8 | 0 | 0 | 0 | 0 | 112.1 | D143 L144 A145 L151 | D143-S147 PolarHBondContact O-N 3.06Å; D143-S147 VanDerWaalsContact O-N 3.16Å; L144-S147 PolarHBondContact O-N 3.44Å; L144-S147 PolarHBondContact O-OG 2.75Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 2.95Å; S147-L151 PolarHBondContact O-N 2.9Å |
| 148 | K | 40.1 | Very low | 40.9 | Very low | 140 Ų | 140 | 113 Ų | 113 | 61% | 0.609 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69 | -42.4 | 174.7 | -172.8 | 179 | 179.5 | -178.5 | 0 | 111.5 | L144 A145 L151 N152 | L144-K148 PolarHBondContact O-N 2.93Å; L144-K148 VanDerWaalsContact O-N 3.17Å; A145-K148 PolarHBondContact O-N 2.86Å; K148-L151 PolarHBondContact O-N 2.91Å; K148-N152 PolarHBondContact O-N 2.83Å; K148-N152 VanDerWaalsContact O-N 3.11Å |
| 149 | E | 42.8 | Very low | 41.1 | Very low | 132 Ų | 132 | 115 Ų | 115 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.2 | -37.5 | 179.5 | -167.2 | 179.6 | 173.3 | 0 | 0 | 112.1 | A145 N152 A153 | A145-E149 VanDerWaalsContact O-CB 3.29Å; A145-E149 WeakPolarHBondContact O-CB 3.17Å; A145-E149 PolarHBondContact O-N 3.21Å; E149-N152 PolarHBondContact O-N 3.46Å; E149-A153 WeakPolarHBondContact O-CB 3.2Å; E149-A153 PolarHBondContact O-N 3.26Å |
| 150 | R | 39.6 | Very low | 40.8 | Very low | 195 Ų | 195 | 109.3 Ų | 109.3 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -39.8 | 173.6 | -82.6 | -168.5 | 171.2 | -164.9 | -2.4 | 113.1 | K146 N152 E154 | K146-R150 WeakPolarHBondContact O-CB 3.13Å; K146-R150 WeakPolarHBondContact O-CG 3.35Å; K146-R150 PolarHBondContact O-N 3.29Å; R150-N152 VanDerWaalsContact C-N 3.3Å; R150-N152 PolarHBondContact O-N 2.82Å; R150-E154 PolarHBondContact O-N 3.34Å; R150-E154 VanDerWaalsContact O-N 3.16Å |
| 151 | L | 42.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.2 | -38.4 | 176.5 | -162.8 | 92.3 | 0 | 0 | 0 | 111.2 | S147 K148 | S147-L151 PolarHBondContact O-N 2.9Å; K148-L151 PolarHBondContact O-N 2.91Å |
| 152 | N | 41.2 | Very low | 40.2 | Very low | 88 Ų | 88 | 116.9 Ų | 116.9 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.8 | -39.2 | 178.7 | -158.1 | 43.7 | 0 | 0 | 0 | 112.5 | K148 E149 R150 E154 C155 E156 | K148-N152 PolarHBondContact O-N 2.83Å; K148-N152 VanDerWaalsContact O-N 3.11Å; E149-N152 PolarHBondContact O-N 3.46Å; R150-N152 VanDerWaalsContact C-N 3.3Å; R150-N152 PolarHBondContact O-N 2.82Å; N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 3.22Å; N152-C155 WeakPolarHBondContact O-CB 3.46Å; N152-C155 PolarHBondContact O-N 2.78Å; N152-C155 VanDerWaalsContact O-N 3.12Å; N152-E156 PolarHBondContact ND2-OE1 3.12Å; N152-E156 PolarHBondContact O-N 2.72Å |
| 153 | A | 42.8 | Very low | 40.5 | Very low | 50 Ų | 50 | 122.9 Ų | 122.9 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.2 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E149 C155 E156 A157 | E149-A153 WeakPolarHBondContact O-CB 3.2Å; E149-A153 PolarHBondContact O-N 3.26Å; A153-C155 PolarHBondContact O-N 2.91Å; A153-E156 PolarHBondContact O-N 3.5Å; A153-A157 WeakPolarHBondContact O-CB 3.3Å; A153-A157 PolarHBondContact O-N 3.44Å |
| 154 | E | 45.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.2 | -22.3 | 175.1 | -134.1 | 157.6 | 141.1 | 0 | 0 | 112.2 | R150 N152 | R150-E154 PolarHBondContact O-N 3.34Å; R150-E154 VanDerWaalsContact O-N 3.16Å; N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 3.22Å |
| 155 | C | 40.3 | Very low | 39.9 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 50% | 0.5 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -80.4 | -46.5 | 168.5 | -79 | 0 | 0 | 0 | 0 | 112 | N152 A153 G158 | N152-C155 WeakPolarHBondContact O-CB 3.46Å; N152-C155 PolarHBondContact O-N 2.78Å; N152-C155 VanDerWaalsContact O-N 3.12Å; A153-C155 PolarHBondContact O-N 2.91Å; C155-G158 PolarHBondContact O-N 2.84Å |
| 156 | E | 41.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 54% | 0.542 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -75.4 | -25.4 | -175.8 | -69.5 | -171.3 | 174.2 | 0 | 0 | 113.8 | N152 A153 G158 E159 | N152-E156 PolarHBondContact ND2-OE1 3.12Å; N152-E156 PolarHBondContact O-N 2.72Å; A153-E156 PolarHBondContact O-N 3.5Å; E156-G158 PolarHBondContact O-N 2.77Å; E156-E159 PolarHBondContact O-N 2.73Å |
| 157 | A | 40.4 | Very low | 39.8 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -12.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A153 | A153-A157 WeakPolarHBondContact O-CB 3.3Å; A153-A157 PolarHBondContact O-N 3.44Å |
| 158 | G | 43.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -8.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C155 E156 | C155-G158 PolarHBondContact O-N 2.84Å; E156-G158 PolarHBondContact O-N 2.77Å |
| 159 | E | 41.1 | Very low | 40.1 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | -107.2 | 8.3 | -168.6 | -77.3 | -168.4 | 108.8 | 0 | 0 | 115.1 | E156 Y161 | E156-E159 PolarHBondContact O-N 2.73Å; E159-Y161 PolarHBondContact O-N 3.2Å | ||
| 160 | G | 36.4 | Very low | 40.2 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -79.6 | 97.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 161 | Y | 35.2 | Very low | 40.6 | Very low | 196 Ų | 196 | 126 Ų | 126 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 97 | 71.2 | 168.9 | -155.1 | -97.4 | 0 | 0 | 0 | 116.7 | E159 | E159-Y161 PolarHBondContact O-N 3.2Š|
| 162 | R | 32.7 | Very low | 41 | Very low | 207 Ų | 207 | 120.7 Ų | 120.7 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | 169.6 | 103.9 | 119.6 | -92.7 | -174.8 | -176 | -162.3 | 4.2 | 111.1 | K164 | R162-K164 PolarHBondContact O-N 3.31Š| |||
| 163 | R | 41.5 | Very low | 41.6 | Very low | 252 Ų | 252 | 121 Ų | 121 | 95% | 0.951 | 67% | 0.672 | S | S | * | * | trans | -58.7 | 103 | 151.3 | -83.2 | -177.4 | 170 | 127 | -1.6 | 108.6 | ||||
| 164 | K | 31.3 | Very low | 42.1 | Very low | 186 Ų | 186 | 122.1 Ų | 122.1 | 81% | 0.809 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -175.7 | 118.9 | 148.5 | -98.6 | 161.1 | -168.4 | -170.3 | 0 | 107.7 | R162 T166 | R162-K164 PolarHBondContact O-N 3.31Å; K164-T166 PolarHBondContact O-N 3.36Å; K164-T166 VanDerWaalsContact O-N 3.11Å |
| 165 | C | 41.9 | Very low | 42.7 | Very low | 140 Ų | 140 | 116 Ų | 116 | 95% | 0.946 | 64% | 0.642 | S | S | * | * | trans | -25.8 | 105.7 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 166 | T | 35.8 | Very low | 43.4 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -142.9 | 132.7 | 156.5 | 42.6 | 0 | 0 | 0 | 0 | 107.2 | K164 G168 | K164-T166 PolarHBondContact O-N 3.36Å; K164-T166 VanDerWaalsContact O-N 3.11Å; T166-G168 PolarHBondContact O-N 3.01Å | ||
| 167 | L | 42 | Very low | 44.3 | Very low | 166 Ų | 166 | 114.1 Ų | 114.1 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | trans | -45.6 | 103 | 171.3 | -78.2 | 128.8 | 0 | 0 | 0 | 109.6 | ||||
| 168 | G | 38.7 | Very low | 45.3 | Very low | 38 Ų | 38 | 116 Ų | 116 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | trans | -80 | 150.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T166 C170 Q171 | T166-G168 PolarHBondContact O-N 3.01Å; G168-C170 PolarHBondContact O-N 3.14Å; G168-Q171 CarbonylContact O-C 3.37Å; G168-Q171 PolarHBondContact O-N 3.11Å; G168-Q171 VanDerWaalsContact O-O 3.06Å | ||
| 169 | V | 46.8 | Very low | 45.9 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 70% | 0.697 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13.6 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | T5 H174 | T5-V169 HydrophobicContact CG2-CG1 4.46Å; V169-H174 PolarHBondContact O-CE1 3.41Å |
| 170 | C | 44.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -7.6 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | G168 | G168-C170 PolarHBondContact O-N 3.14Š|
| 171 | Q | 47.7 | Very low | 48.6 | Very low | 98 Ų | 98 | 111.3 Ų | 111.3 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -138.9 | 94.5 | 176.7 | -165.7 | 172.8 | 0.9 | 0 | 0 | 109.4 | G168 | G168-Q171 CarbonylContact O-C 3.37Å; G168-Q171 PolarHBondContact O-N 3.11Å; G168-Q171 VanDerWaalsContact O-O 3.06Å |
| 172 | G | 51 | Low | 49.6 | Very low | 11 Ų | 11 | 103.3 Ų | 103.3 | 11% | 0.113 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -149 | 162.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H174 V175 | G172-H174 PolarHBondContact O-N 3.37Å; G172-V175 PolarHBondContact O-N 3Å |
| 173 | P | 52.5 | Low | 51 | Low | 94 Ų | 94 | 94.7 Ų | 94.7 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -17.6 | 178.2 | 24.5 | -34 | 0 | 0 | 0 | 113 | V176 L177 | P173-V176 PolarHBondContact O-N 3.37Å; P173-L177 WeakPolarHBondContact O-CB 3.28Å; P173-L177 WeakPolarHBondContact O-CD1 3.49Å; P173-L177 WeakPolarHBondContact O-CG 3.4Å; P173-L177 PolarHBondContact O-N 2.84Å |
| 174 | H | 54.8 | Low | 52.2 | Low | 75 Ų | 75 | 86 Ų | 86 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 174.3 | 79.4 | -85.2 | 0 | 0 | 0 | 113 | V169 G172 V176 W178 | V169-H174 PolarHBondContact O-CE1 3.41Å; G172-H174 PolarHBondContact O-N 3.37Å; H174-V176 VanDerWaalsContact C-N 3.34Å; H174-W178 WeakPolarHBondContact O-CB 3.32Å; H174-W178 PolarHBondContact O-N 3.48Å; H174-W178 VanDerWaalsContact O-N 3.09Å |
| 175 | V | 56.9 | Low | 53.8 | Low | 37 Ų | 37 | 80.5 Ų | 80.5 | 22% | 0.224 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | G172 W178 S179 F253 | G172-V175 PolarHBondContact O-N 3Å; V175-W178 WeakPolarHBondContact O-CB 3.47Å; V175-W178 PolarHBondContact O-N 3.01Å; V175-S179 PolarHBondContact O-N 3.45Å; V175-S179 PolarHBondContact O-OG 2.92Å; V175-F253 HydrophobicContact CG1-CB 4.34Å |
| 176 | V | 56.1 | Low | 54.9 | Low | 35 Ų | 35 | 74.4 Ų | 74.4 | 21% | 0.212 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | P173 H174 W178 S179 I180 W251 | P173-V176 PolarHBondContact O-N 3.37Å; H174-V176 VanDerWaalsContact C-N 3.34Å; V176-W178 PolarHBondContact O-N 2.87Å; V176-S179 WeakPolarHBondContact CA-OG 3.2Å; V176-S179 PolarHBondContact O-N 3.18Å; V176-S179 PolarHBondContact O-OG 2.84Å; V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 HydrophobicContact CG1-CG1 4.46Å; V176-I180 WeakPolarHBondContact O-CB 3.33Å; V176-I180 WeakPolarHBondContact O-CD1 3.47Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.4Å; V176-W251 VanDerWaalsContact CG2-CD1 3.5Å |
| 177 | L | 60.3 | Low | 56.4 | Low | 116 Ų | 116 | 70.8 Ų | 70.8 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 173.6 | -80.1 | 159.7 | 0 | 0 | 0 | 111.6 | P173 S181 | P173-L177 WeakPolarHBondContact O-CB 3.28Å; P173-L177 WeakPolarHBondContact O-CD1 3.49Å; P173-L177 WeakPolarHBondContact O-CG 3.4Å; P173-L177 PolarHBondContact O-N 2.84Å; L177-S181 WeakPolarHBondContact O-CB 3.17Å; L177-S181 PolarHBondContact O-N 3.49Å |
| 178 | W | 60.7 | Low | 57.8 | Low | 129 Ų | 129 | 67.6 Ų | 67.6 | 49% | 0.489 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 175.6 | -97.6 | 74.7 | 0 | 0 | 0 | 113.5 | F13 H174 V175 V176 I180 S181 C182 | F13-W178 HydrophobicContact CB-CH2 3.62Å; F13-W178 HydrophobicContact CB-CZ3 4.07Å; F13-W178 HydrophobicContact CD1-CH2 4.49Å; F13-W178 AromaticContact CD2-CH2 3.21Å; F13-W178 HydrophobicContact CD2-CH2 3.21Å; F13-W178 AromaticContact CD2-CZ3 3.38Å; F13-W178 HydrophobicContact CD2-CZ3 3.38Å; F13-W178 AromaticContact CE2-CH2 3.84Å; F13-W178 HydrophobicContact CE2-CH2 3.84Å; F13-W178 HydrophobicContact CE2-CZ3 4.06Å; F13-W178 AromaticContact CG-CH2 3.54Å; F13-W178 HydrophobicContact CG-CH2 3.54Å; F13-W178 HydrophobicContact CG-CZ3 4.07Å; H174-W178 WeakPolarHBondContact O-CB 3.32Å; H174-W178 PolarHBondContact O-N 3.48Å; H174-W178 VanDerWaalsContact O-N 3.09Å; V175-W178 WeakPolarHBondContact O-CB 3.47Å; V175-W178 PolarHBondContact O-N 3.01Å; V176-W178 PolarHBondContact O-N 2.87Å; W178-I180 VanDerWaalsContact C-N 3.35Å; W178-S181 PolarHBondContact O-N 2.96Å; W178-C182 WeakPolarHBondContact O-CB 3.22Å; W178-C182 PolarHBondContact O-N 2.93Å |
| 179 | S | 56.8 | Low | 59.1 | Low | 19 Ų | 19 | 68.6 Ų | 68.6 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 174.7 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | V175 V176 S181 C182 A183 | V175-S179 PolarHBondContact O-N 3.45Å; V175-S179 PolarHBondContact O-OG 2.92Å; V176-S179 WeakPolarHBondContact CA-OG 3.2Å; V176-S179 PolarHBondContact O-N 3.18Å; V176-S179 PolarHBondContact O-OG 2.84Å; S179-S181 VanDerWaalsContact C-N 3.35Å; S179-S181 PolarHBondContact O-N 3.45Å; S179-C182 CarbonylContact O-C 3.57Å; S179-C182 PolarHBondContact O-N 3.43Å; S179-C182 VanDerWaalsContact O-N 3.14Å; S179-A183 PolarHBondContact O-N 3.34Å |
| 180 | I | 65.9 | Low | 60.1 | Low | 94 Ų | 94 | 63.8 Ų | 63.8 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 172.8 | -69.5 | 167.7 | 0 | 0 | 0 | 111.3 | V176 W178 C182 A183 P184 | V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 HydrophobicContact CG1-CG1 4.46Å; V176-I180 WeakPolarHBondContact O-CB 3.33Å; V176-I180 WeakPolarHBondContact O-CD1 3.47Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.4Å; W178-I180 VanDerWaalsContact C-N 3.35Å; I180-C182 VanDerWaalsContact C-N 3.26Å; I180-C182 PolarHBondContact O-N 3.33Å; I180-A183 WeakPolarHBondContact O-CB 3.49Å; I180-A183 PolarHBondContact O-N 2.91Å; I180-P184 VanDerWaalsContact O-CD 3.29Å; I180-P184 WeakPolarHBondContact O-CD 3.45Å |
| 181 | S | 67.3 | Low | 61.5 | Low | 89 Ų | 89 | 60.6 Ų | 60.6 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67 | -28 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | L177 W178 S179 P184 | L177-S181 WeakPolarHBondContact O-CB 3.17Å; L177-S181 PolarHBondContact O-N 3.49Å; W178-S181 PolarHBondContact O-N 2.96Å; S179-S181 VanDerWaalsContact C-N 3.35Å; S179-S181 PolarHBondContact O-N 3.45Å; S181-P184 WeakPolarHBondContact O-CD 3.44Å |
| 182 | C | 56.8 | Low | 62.8 | Low | 29 Ų | 29 | 60.3 Ų | 60.3 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -86 | -24.1 | 178.1 | -164 | 0 | 0 | 0 | 0 | 112.7 | W178 S179 I180 P184 V185 V186 | W178-C182 WeakPolarHBondContact O-CB 3.22Å; W178-C182 PolarHBondContact O-N 2.93Å; S179-C182 CarbonylContact O-C 3.57Å; S179-C182 PolarHBondContact O-N 3.43Å; S179-C182 VanDerWaalsContact O-N 3.14Å; I180-C182 VanDerWaalsContact C-N 3.26Å; I180-C182 PolarHBondContact O-N 3.33Å; C182-P184 VanDerWaalsContact C-CD 3.47Å; C182-V185 WeakPolarHBondContact O-CB 3.38Å; C182-V185 PolarHBondContact O-N 3.07Å; C182-V186 PolarHBondContact O-N 2.79Å; C182-V186 VanDerWaalsContact O-N 3.11Å |
| 183 | A | 62.3 | Low | 63.6 | Low | 25 Ų | 25 | 62.3 Ų | 62.3 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -49.2 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S179 I180 V185 V186 F187 | S179-A183 PolarHBondContact O-N 3.34Å; I180-A183 WeakPolarHBondContact O-CB 3.49Å; I180-A183 PolarHBondContact O-N 2.91Å; A183-V185 VanDerWaalsContact C-N 3.3Å; A183-V185 PolarHBondContact O-N 3.47Å; A183-V186 PolarHBondContact O-N 3.26Å; A183-F187 VanDerWaalsContact O-CB 3.29Å; A183-F187 WeakPolarHBondContact O-CB 3.2Å; A183-F187 PolarHBondContact O-N 3.49Å |
| 184 | P | 66.1 | Low | 64.6 | Low | 70 Ų | 70 | 59.5 Ų | 59.5 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 178 | 25 | -35.1 | 0 | 0 | 0 | 112.9 | I180 S181 C182 L188 | I180-P184 VanDerWaalsContact O-CD 3.29Å; I180-P184 WeakPolarHBondContact O-CD 3.45Å; S181-P184 WeakPolarHBondContact O-CD 3.44Å; C182-P184 VanDerWaalsContact C-CD 3.47Å; P184-L188 WeakPolarHBondContact O-CB 3.45Å; P184-L188 WeakPolarHBondContact O-CD1 3.23Å; P184-L188 WeakPolarHBondContact O-CG 3.16Å; P184-L188 PolarHBondContact O-N 2.83Å |
| 185 | V | 65.8 | Low | 65.7 | Low | 70 Ų | 70 | 59.1 Ų | 59.1 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | C182 A183 L188 L189 | C182-V185 WeakPolarHBondContact O-CB 3.38Å; C182-V185 PolarHBondContact O-N 3.07Å; A183-V185 VanDerWaalsContact C-N 3.3Å; A183-V185 PolarHBondContact O-N 3.47Å; V185-L188 PolarHBondContact O-N 3.49Å; V185-L189 HydrophobicContact CG1-CD1 4.24Å; V185-L189 WeakPolarHBondContact O-CG 3.29Å; V185-L189 PolarHBondContact O-N 3.24Å |
| 186 | V | 65 | Low | 66.7 | Low | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | C182 A183 L188 L189 S190 Q248 W256 V260 | C182-V186 PolarHBondContact O-N 2.79Å; C182-V186 VanDerWaalsContact O-N 3.11Å; A183-V186 PolarHBondContact O-N 3.26Å; V186-L188 VanDerWaalsContact C-N 3.29Å; V186-L188 PolarHBondContact O-N 3.43Å; V186-L189 PolarHBondContact O-N 3.39Å; V186-S190 WeakPolarHBondContact O-CB 3.29Å; V186-S190 PolarHBondContact O-N 3.49Å; V186-S190 PolarHBondContact O-OG 2.88Å; V186-Q248 VanDerWaalsContact CG1-NE2 3.29Å; V186-W256 HydrophobicContact CG2-CZ2 3.93Å; V186-V260 HydrophobicContact CG1-CG1 4.38Å; V186-V260 HydrophobicContact CG1-CG2 4.46Å |
| 187 | F | 66.6 | Low | 67.5 | Low | 52 Ų | 52 | 63.6 Ų | 63.6 | 23% | 0.228 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.5 | -47.4 | 172.2 | 177 | -89.2 | 0 | 0 | 0 | 111.4 | A183 F191 L238 A241 L242 A245 | A183-F187 VanDerWaalsContact O-CB 3.29Å; A183-F187 WeakPolarHBondContact O-CB 3.2Å; A183-F187 PolarHBondContact O-N 3.49Å; F187-F191 WeakPolarHBondContact O-CB 3.3Å; F187-F191 PolarHBondContact O-N 2.87Å; F187-L238 HydrophobicContact CZ-CD1 4.35Å; F187-A241 VanDerWaalsContact CD2-C 3.46Å; F187-A241 HydrophobicContact CD2-CB 3.58Å; F187-A241 VanDerWaalsContact CD2-O 3.26Å; F187-A241 WeakPolarHBondContact CD2-O 3.18Å; F187-A241 HydrophobicContact CE1-CB 4.47Å; F187-A241 VanDerWaalsContact CE2-C 3.48Å; F187-A241 HydrophobicContact CE2-CB 3.38Å; F187-A241 HydrophobicContact CG-CB 4.21Å; F187-A241 HydrophobicContact CZ-CB 3.87Å; F187-L242 HydrophobicContact CE2-CB 4.41Å; F187-A245 HydrophobicContact CB-CB 4.47Å; F187-A245 HydrophobicContact CD2-CB 4.05Å |
| 188 | L | 70.6 | Confident | 68.2 | Low | 98 Ų | 98 | 58.7 Ų | 58.7 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 178.3 | -72.4 | 168.5 | 0 | 0 | 0 | 112.3 | P184 V185 V186 F191 I192 | P184-L188 WeakPolarHBondContact O-CB 3.45Å; P184-L188 WeakPolarHBondContact O-CD1 3.23Å; P184-L188 WeakPolarHBondContact O-CG 3.16Å; P184-L188 PolarHBondContact O-N 2.83Å; V185-L188 PolarHBondContact O-N 3.49Å; V186-L188 VanDerWaalsContact C-N 3.29Å; V186-L188 PolarHBondContact O-N 3.43Å; L188-F191 PolarHBondContact O-N 2.73Å; L188-I192 WeakPolarHBondContact O-CB 3.26Å; L188-I192 WeakPolarHBondContact O-CD1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 2.75Å |
| 189 | L | 67.5 | Low | 69 | Low | 60 Ų | 60 | 54.2 Ų | 54.2 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.8 | -70.1 | 172.5 | 0 | 0 | 0 | 112.3 | I24 V185 V186 I192 T193 | I24-L189 HydrophobicContact CD1-CD1 4.25Å; I24-L189 HydrophobicContact CD1-CD2 4.05Å; I24-L189 HydrophobicContact CG1-CD2 4.25Å; V185-L189 HydrophobicContact CG1-CD1 4.24Å; V185-L189 WeakPolarHBondContact O-CG 3.29Å; V185-L189 PolarHBondContact O-N 3.24Å; V186-L189 PolarHBondContact O-N 3.39Å; L189-I192 PolarHBondContact O-N 3.42Å; L189-T193 VanDerWaalsContact O-CB 3.31Å; L189-T193 WeakPolarHBondContact O-CB 3.16Å; L189-T193 PolarHBondContact O-N 3.31Å; L189-T193 PolarHBondContact O-OG1 2.9Å |
| 190 | S | 67 | Low | 69.8 | Low | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 173.7 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | V186 T193 S194 | V186-S190 WeakPolarHBondContact O-CB 3.29Å; V186-S190 PolarHBondContact O-N 3.49Å; V186-S190 PolarHBondContact O-OG 2.88Å; S190-T193 PolarHBondContact O-N 3.28Å; S190-S194 WeakPolarHBondContact O-CB 3.48Å; S190-S194 PolarHBondContact O-N 2.79Å |
| 191 | F | 74.6 | Confident | 70.3 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 176 | 179.9 | -98.3 | 0 | 0 | 0 | 111.4 | F187 L188 T193 F195 M234 A237 A241 | F187-F191 WeakPolarHBondContact O-CB 3.3Å; F187-F191 PolarHBondContact O-N 2.87Å; L188-F191 PolarHBondContact O-N 2.73Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.5Å; F191-F195 WeakPolarHBondContact O-CB 3.38Å; F191-F195 PolarHBondContact O-N 3.38Å; F191-M234 HydrophobicContact CE2-SD 4.48Å; F191-M234 HydrophobicContact CZ-SD 3.91Å; F191-A237 HydrophobicContact CD2-CB 3.85Å; F191-A237 HydrophobicContact CE2-CB 3.76Å; F191-A241 HydrophobicContact CB-CB 3.99Å; F191-A241 HydrophobicContact CD2-CB 4.46Å |
| 192 | I | 74.6 | Confident | 70.7 | Confident | 93 Ų | 93 | 53 Ų | 53 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 178.3 | -68 | 163.2 | 0 | 0 | 0 | 111.1 | L188 L189 Y196 | L188-I192 WeakPolarHBondContact O-CB 3.26Å; L188-I192 WeakPolarHBondContact O-CD1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 2.75Å; L189-I192 PolarHBondContact O-N 3.42Å; I192-Y196 WeakPolarHBondContact O-CB 3.42Å; I192-Y196 PolarHBondContact O-N 2.82Å |
| 193 | T | 68.4 | Low | 71.5 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.9 | -43.4 | -178.1 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | L189 S190 F191 Y196 Y197 | L189-T193 VanDerWaalsContact O-CB 3.31Å; L189-T193 WeakPolarHBondContact O-CB 3.16Å; L189-T193 PolarHBondContact O-N 3.31Å; L189-T193 PolarHBondContact O-OG1 2.9Å; S190-T193 PolarHBondContact O-N 3.28Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.5Å; T193-Y196 WeakPolarHBondContact O-CB 3.1Å; T193-Y196 PolarHBondContact O-N 3.41Å; T193-Y197 HydrophobicContact CG2-CD2 3.72Å; T193-Y197 HydrophobicContact CG2-CE2 3.51Å; T193-Y197 VanDerWaalsContact O-CD2 3.22Å; T193-Y197 WeakPolarHBondContact O-CD2 2.91Å; T193-Y197 PolarHBondContact O-N 3.15Å |
| 194 | S | 73.4 | Confident | 72.2 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | S190 Y196 Y197 G198 | S190-S194 WeakPolarHBondContact O-CB 3.48Å; S190-S194 PolarHBondContact O-N 2.79Å; S194-Y196 PolarHBondContact O-N 2.98Å; S194-Y197 PolarHBondContact O-N 3.28Å; S194-G198 PolarHBondContact O-N 2.71Å |
| 195 | F | 77.8 | Confident | 72.6 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 172 | -175.3 | -97.2 | 0 | 0 | 0 | 110.3 | F191 Y197 G198 T199 I233 | F191-F195 WeakPolarHBondContact O-CB 3.38Å; F191-F195 PolarHBondContact O-N 3.38Å; F195-Y197 PolarHBondContact O-N 3.1Å; F195-G198 CarbonylContact O-C 3.58Å; F195-G198 PolarHBondContact O-N 3.3Å; F195-T199 HydrophobicContact CD1-CG2 3.71Å; F195-T199 HydrophobicContact CE1-CG2 3.5Å; F195-T199 VanDerWaalsContact CE1-CG2 3.5Å; F195-T199 HydrophobicContact CE2-CG2 4.35Å; F195-T199 HydrophobicContact CG-CG2 4.24Å; F195-T199 HydrophobicContact CZ-CG2 3.84Å; F195-T199 WeakPolarHBondContact O-CG2 3.15Å; F195-T199 PolarHBondContact O-N 2.82Å; F195-I233 HydrophobicContact CD2-CG2 3.36Å; F195-I233 HydrophobicContact CE2-CG2 3.6Å; F195-I233 HydrophobicContact CG-CG2 4.37Å |
| 196 | Y | 76.3 | Confident | 73.1 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.2 | -52.3 | 178.6 | 177.1 | -89.9 | 0 | 0 | 0 | 112.7 | I192 T193 S194 G198 T199 L200 | I192-Y196 WeakPolarHBondContact O-CB 3.42Å; I192-Y196 PolarHBondContact O-N 2.82Å; T193-Y196 WeakPolarHBondContact O-CB 3.1Å; T193-Y196 PolarHBondContact O-N 3.41Å; S194-Y196 PolarHBondContact O-N 2.98Å; Y196-G198 VanDerWaalsContact C-N 3.32Å; Y196-G198 PolarHBondContact O-N 2.92Å; Y196-T199 PolarHBondContact O-N 2.95Å; Y196-T199 PolarHBondContact O-OG1 2.89Å; Y196-L200 HydrophobicContact CE1-CD1 3.89Å; Y196-L200 PolarHBondContact O-N 2.94Å |
| 197 | Y | 73.3 | Confident | 73.4 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 179 | -75.3 | -61.6 | 0 | 0 | 0 | 111.9 | R31 T193 S194 F195 T199 L200 T201 E264 | R31-Y197 PolarHBondContact NH2-OH 3.32Å; T193-Y197 HydrophobicContact CG2-CD2 3.72Å; T193-Y197 HydrophobicContact CG2-CE2 3.51Å; T193-Y197 VanDerWaalsContact O-CD2 3.22Å; T193-Y197 WeakPolarHBondContact O-CD2 2.91Å; T193-Y197 PolarHBondContact O-N 3.15Å; S194-Y197 PolarHBondContact O-N 3.28Å; F195-Y197 PolarHBondContact O-N 3.1Å; Y197-T199 PolarHBondContact O-N 3.32Å; Y197-L200 PolarHBondContact O-N 3.4Å; Y197-T201 WeakPolarHBondContact O-CG2 3.46Å; Y197-T201 PolarHBondContact O-N 3.34Å; Y197-T201 PolarHBondContact O-OG1 3.01Å; Y197-E264 PolarHBondContact OH-OE1 3.09Å; Y197-E264 PolarHBondContact OH-OE2 2.88Å |
| 198 | G | 76.3 | Confident | 73.7 | Confident | 13 Ų | 13 | 65 Ų | 65 | 13% | 0.134 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S194 F195 Y196 L200 T201 W202 | S194-G198 PolarHBondContact O-N 2.71Å; F195-G198 CarbonylContact O-C 3.58Å; F195-G198 PolarHBondContact O-N 3.3Å; Y196-G198 VanDerWaalsContact C-N 3.32Å; Y196-G198 PolarHBondContact O-N 2.92Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 3.4Å; G198-T201 WeakPolarHBondContact CA-OG1 3.41Å; G198-T201 PolarHBondContact O-OG1 3.31Å; G198-W202 WeakPolarHBondContact O-CB 3.38Å; G198-W202 PolarHBondContact O-N 3.09Å |
| 199 | T | 77.1 | Confident | 73.5 | Confident | 35 Ų | 35 | 66 Ų | 66 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 174.7 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | F195 Y196 Y197 Y203 Y229 | F195-T199 HydrophobicContact CD1-CG2 3.71Å; F195-T199 HydrophobicContact CE1-CG2 3.5Å; F195-T199 VanDerWaalsContact CE1-CG2 3.5Å; F195-T199 HydrophobicContact CE2-CG2 4.35Å; F195-T199 HydrophobicContact CG-CG2 4.24Å; F195-T199 HydrophobicContact CZ-CG2 3.84Å; F195-T199 WeakPolarHBondContact O-CG2 3.15Å; F195-T199 PolarHBondContact O-N 2.82Å; Y196-T199 PolarHBondContact O-N 2.95Å; Y196-T199 PolarHBondContact O-OG1 2.89Å; Y197-T199 PolarHBondContact O-N 3.32Å; T199-Y203 VanDerWaalsContact O-CB 3.26Å; T199-Y203 WeakPolarHBondContact O-CB 3.31Å; T199-Y203 PolarHBondContact O-N 3.49Å; T199-Y229 HydrophobicContact CG2-CE2 4.28Å; T199-Y229 WeakPolarHBondContact CG2-OH 3.5Å |
| 200 | L | 73.8 | Confident | 73.5 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.3 | -42.1 | -177.3 | -156.4 | 154.1 | 0 | 0 | 0 | 110.7 | Y196 Y197 G198 Y203 N204 | Y196-L200 HydrophobicContact CE1-CD1 3.89Å; Y196-L200 PolarHBondContact O-N 2.94Å; Y197-L200 PolarHBondContact O-N 3.4Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 3.4Å; L200-Y203 PolarHBondContact O-N 3.45Å; L200-N204 PolarHBondContact O-N 2.82Å; L200-N204 PolarHBondContact O-ND2 3.47Å |
| 201 | T | 75.6 | Confident | 73.5 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 171.8 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | Y197 G198 Y203 N204 V205 | Y197-T201 WeakPolarHBondContact O-CG2 3.46Å; Y197-T201 PolarHBondContact O-N 3.34Å; Y197-T201 PolarHBondContact O-OG1 3.01Å; G198-T201 WeakPolarHBondContact CA-OG1 3.41Å; G198-T201 PolarHBondContact O-OG1 3.31Å; T201-Y203 VanDerWaalsContact C-N 3.32Å; T201-Y203 PolarHBondContact O-N 2.94Å; T201-N204 PolarHBondContact O-N 3.04Å; T201-V205 WeakPolarHBondContact O-CG2 3.32Å; T201-V205 PolarHBondContact O-N 3.29Å |
| 202 | W | 76.3 | Confident | 72.6 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.8 | -163.3 | -93.5 | 0 | 0 | 0 | 112.5 | G198 V205 F206 L225 F228 Y229 L232 | G198-W202 WeakPolarHBondContact O-CB 3.38Å; G198-W202 PolarHBondContact O-N 3.09Å; W202-V205 PolarHBondContact O-N 3.36Å; W202-F206 WeakPolarHBondContact O-CB 3.44Å; W202-F206 PolarHBondContact O-N 3.3Å; W202-L225 HydrophobicContact CZ2-CB 4.34Å; W202-L225 HydrophobicContact CZ2-CD2 3.95Å; W202-L225 HydrophobicContact CZ2-CG 3.95Å; W202-L225 WeakPolarHBondContact CZ2-O 3.17Å; W202-L225 PolarHBondContact NE1-O 3.42Å; W202-F228 HydrophobicContact CH2-CB 4.34Å; W202-F228 HydrophobicContact CZ2-CB 4.44Å; W202-Y229 HydrophobicContact CB-CD2 4Å; W202-Y229 HydrophobicContact CB-CE2 4.12Å; W202-Y229 AromaticContact CD1-CD2 3.29Å; W202-Y229 AromaticContact CD1-CG 3.9Å; W202-Y229 AromaticContact CD2-CD2 3.89Å; W202-Y229 HydrophobicContact CD2-CD2 3.89Å; W202-Y229 AromaticContact CG-CD2 3.43Å; W202-Y229 HydrophobicContact CG-CD2 3.43Å; W202-Y229 VanDerWaalsContact CG-CD2 3.43Å; W202-Y229 HydrophobicContact CG-CE2 4.04Å; W202-Y229 HydrophobicContact CG-CG 4.39Å; W202-Y229 AromaticContact NE1-CD2 3.67Å; W202-Y229 AromaticContact NE1-CG 3.88Å; W202-L232 HydrophobicContact CH2-CD1 3.79Å; W202-L232 HydrophobicContact CZ3-CD1 3.88Å |
| 203 | Y | 73.7 | Confident | 71.6 | Confident | 150 Ų | 150 | 85.1 Ų | 85.1 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 175 | -176.7 | -95.7 | 0 | 0 | 0 | 112 | T199 L200 T201 F206 L207 | T199-Y203 VanDerWaalsContact O-CB 3.26Å; T199-Y203 WeakPolarHBondContact O-CB 3.31Å; T199-Y203 PolarHBondContact O-N 3.49Å; L200-Y203 PolarHBondContact O-N 3.45Å; T201-Y203 VanDerWaalsContact C-N 3.32Å; T201-Y203 PolarHBondContact O-N 2.94Å; Y203-F206 WeakPolarHBondContact O-CB 3.46Å; Y203-F206 PolarHBondContact O-N 3.45Å; Y203-L207 HydrophobicContact CE1-CD1 4.2Å; Y203-L207 WeakPolarHBondContact O-CB 3.31Å; Y203-L207 PolarHBondContact O-N 2.94Å |
| 204 | N | 77.4 | Confident | 70.6 | Confident | 57 Ų | 57 | 87 Ų | 87 | 31% | 0.305 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.1 | -74.7 | -35.8 | 0 | 0 | 0 | 111.8 | L200 T201 F206 L207 V208 | L200-N204 PolarHBondContact O-N 2.82Å; L200-N204 PolarHBondContact O-ND2 3.47Å; T201-N204 PolarHBondContact O-N 3.04Å; N204-F206 VanDerWaalsContact C-N 3.34Å; N204-F206 PolarHBondContact O-N 2.93Å; N204-L207 PolarHBondContact O-N 3.43Å; N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 2.93Å |
| 205 | V | 73.1 | Confident | 69.8 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | T201 W202 L207 V208 Y209 L225 | T201-V205 WeakPolarHBondContact O-CG2 3.32Å; T201-V205 PolarHBondContact O-N 3.29Å; W202-V205 PolarHBondContact O-N 3.36Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.15Å; V205-V208 PolarHBondContact O-N 3.19Å; V205-Y209 WeakPolarHBondContact O-CB 3.47Å; V205-Y209 PolarHBondContact O-N 3.44Å; V205-L225 HydrophobicContact CG1-CD2 4.2Å |
| 206 | F | 76 | Confident | 69 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 30% | 0.298 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 176.3 | -178.9 | -96.5 | 0 | 0 | 0 | 112.1 | W202 Y203 N204 N210 L225 | W202-F206 WeakPolarHBondContact O-CB 3.44Å; W202-F206 PolarHBondContact O-N 3.3Å; Y203-F206 WeakPolarHBondContact O-CB 3.46Å; Y203-F206 PolarHBondContact O-N 3.45Å; N204-F206 VanDerWaalsContact C-N 3.34Å; N204-F206 PolarHBondContact O-N 2.93Å; F206-N210 VanDerWaalsContact O-CB 3.29Å; F206-N210 WeakPolarHBondContact O-CB 3.41Å; F206-N210 PolarHBondContact O-N 3.46Å; F206-L225 HydrophobicContact CB-CD2 4.5Å; F206-L225 HydrophobicContact CD2-CD2 4.44Å |
| 207 | L | 72.2 | Confident | 68.3 | Low | 80 Ų | 80 | 101.4 Ų | 101.4 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.2 | -48.6 | 179.3 | -161.3 | 159.6 | 0 | 0 | 0 | 111.4 | Y203 N204 V205 Y209 N210 E211 | Y203-L207 HydrophobicContact CE1-CD1 4.2Å; Y203-L207 WeakPolarHBondContact O-CB 3.31Å; Y203-L207 PolarHBondContact O-N 2.94Å; N204-L207 PolarHBondContact O-N 3.43Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.15Å; L207-Y209 PolarHBondContact O-N 3.28Å; L207-N210 WeakPolarHBondContact O-CB 3.22Å; L207-N210 PolarHBondContact O-N 3.49Å; L207-N210 VanDerWaalsContact O-N 3.16Å; L207-E211 PolarHBondContact O-N 2.96Å |
| 208 | V | 72.6 | Confident | 67.9 | Low | 85 Ų | 85 | 102.7 Ų | 102.7 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | N204 V205 N210 E211 E212 | N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 2.93Å; V205-V208 PolarHBondContact O-N 3.19Å; V208-N210 PolarHBondContact O-N 3.38Å; V208-E211 PolarHBondContact O-N 3.02Å; V208-E211 VanDerWaalsContact O-N 3.13Å; V208-E212 PolarHBondContact O-N 3.4Å |
| 209 | Y | 67.6 | Low | 67.7 | Low | 119 Ų | 119 | 108.3 Ų | 108.3 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -19.8 | 179.2 | -128.6 | -82.2 | 0 | 0 | 0 | 113.2 | V205 L207 E211 H217 I221 | V205-Y209 WeakPolarHBondContact O-CB 3.47Å; V205-Y209 PolarHBondContact O-N 3.44Å; L207-Y209 PolarHBondContact O-N 3.28Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-H217 AromaticContact CE1-CE1 3.95Å; Y209-H217 AromaticContact CE1-ND1 3.84Å; Y209-I221 HydrophobicContact CD1-CG2 3.72Å; Y209-I221 HydrophobicContact CE1-CB 4.47Å; Y209-I221 HydrophobicContact CE1-CD1 4.11Å; Y209-I221 HydrophobicContact CE1-CG2 3.61Å |
| 210 | N | 66.3 | Low | 67.5 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76 | -26.6 | 174.1 | -157 | -76.3 | 0 | 0 | 0 | 112.3 | F206 L207 V208 K218 | F206-N210 VanDerWaalsContact O-CB 3.29Å; F206-N210 WeakPolarHBondContact O-CB 3.41Å; F206-N210 PolarHBondContact O-N 3.46Å; L207-N210 WeakPolarHBondContact O-CB 3.22Å; L207-N210 PolarHBondContact O-N 3.49Å; L207-N210 VanDerWaalsContact O-N 3.16Å; V208-N210 PolarHBondContact O-N 3.38Å; N210-K218 PolarHBondContact O-NZ 3.4Å; N210-K218 VanDerWaalsContact OD1-CE 3.23Å; N210-K218 WeakPolarHBondContact OD1-CE 3.46Å; N210-K218 PolarHBondContact OD1-NZ 3.27Å |
| 211 | E | 67.7 | Low | 67.5 | Low | 154 Ų | 154 | 108.7 Ų | 108.7 | 72% | 0.72 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -85.8 | -31.2 | -171.1 | -141.7 | 174.2 | -174.9 | 0 | 0 | 112.8 | L207 V208 Y209 | L207-E211 PolarHBondContact O-N 2.96Å; V208-E211 PolarHBondContact O-N 3.02Å; V208-E211 VanDerWaalsContact O-N 3.13Å; Y209-E211 VanDerWaalsContact C-N 3.34Å |
| 212 | E | 54.8 | Low | 67.3 | Low | 162 Ų | 162 | 107.3 Ų | 107.3 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -82.4 | 134.5 | 176.5 | -65.6 | -164 | 173.7 | 0 | 0 | 113.2 | V208 | V208-E212 PolarHBondContact O-N 3.4Š|
| 213 | R | 53.2 | Low | 67.5 | Low | 235 Ų | 235 | 107.6 Ų | 107.6 | 89% | 0.887 | 51% | 0.508 | S | S | * | . | trans | -68.9 | 136.5 | -161.9 | -68.7 | -157.6 | -175.6 | 167.6 | 1.1 | 116 | ||||
| 214 | T | 49.1 | Very low | 67.7 | Low | 91 Ų | 91 | 106 Ų | 106 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | 164.6 | 137.3 | 122.8 | 40.8 | 0 | 0 | 0 | 0 | 109.3 | W216 H217 K218 | T214-W216 PolarHBondContact O-N 3.49Å; T214-W216 VanDerWaalsContact O-N 3.16Å; T214-H217 PolarHBondContact O-N 3Å; T214-H217 WeakPolarHBondContact OG1-CB 3.29Å; T214-K218 PolarHBondContact O-N 3.37Å; T214-K218 VanDerWaalsContact O-N 3.14Å | |||
| 215 | F | 56.7 | Low | 67.7 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 83% | 0.825 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -29.3 | -172.6 | -85.4 | -84.4 | 0 | 0 | 0 | 114.6 | I219 | F215-I219 PolarHBondContact O-N 3Å |
| 216 | W | 59.6 | Low | 68.1 | Low | 219 Ų | 219 | 105.9 Ų | 105.9 | 83% | 0.83 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.7 | -40.6 | 178.7 | -111.3 | 58.3 | 0 | 0 | 0 | 112.9 | T214 K218 I219 T220 | T214-W216 PolarHBondContact O-N 3.49Å; T214-W216 VanDerWaalsContact O-N 3.16Å; W216-K218 VanDerWaalsContact C-N 3.27Å; W216-K218 PolarHBondContact O-N 2.81Å; W216-I219 PolarHBondContact O-N 3.42Å; W216-T220 PolarHBondContact O-N 3Å; W216-T220 PolarHBondContact O-OG1 3.49Å |
| 217 | H | 62.3 | Low | 68.6 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 40% | 0.403 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 176 | -136.5 | -108.2 | 0 | 0 | 0 | 110.8 | Y209 T214 I219 T220 I221 | Y209-H217 AromaticContact CE1-CE1 3.95Å; Y209-H217 AromaticContact CE1-ND1 3.84Å; T214-H217 PolarHBondContact O-N 3Å; T214-H217 WeakPolarHBondContact OG1-CB 3.29Å; H217-I219 VanDerWaalsContact C-N 3.28Å; H217-I219 PolarHBondContact O-N 3.47Å; H217-T220 PolarHBondContact O-N 2.86Å; H217-I221 WeakPolarHBondContact CE1-CD1 3.47Å; H217-I221 VanDerWaalsContact CE1-CG1 3.47Å; H217-I221 WeakPolarHBondContact CE1-CG1 3.17Å; H217-I221 WeakPolarHBondContact ND1-CG1 3.13Å; H217-I221 WeakPolarHBondContact O-CA 3.37Å; H217-I221 WeakPolarHBondContact O-CB 3.3Å; H217-I221 PolarHBondContact O-N 3.32Å |
| 218 | K | 65.3 | Low | 69 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -28.4 | 176.8 | -147.3 | 163.2 | -175.1 | 151.2 | 0 | 113.2 | N210 T214 W216 C222 | N210-K218 PolarHBondContact O-NZ 3.4Å; N210-K218 VanDerWaalsContact OD1-CE 3.23Å; N210-K218 WeakPolarHBondContact OD1-CE 3.46Å; N210-K218 PolarHBondContact OD1-NZ 3.27Å; T214-K218 PolarHBondContact O-N 3.37Å; T214-K218 VanDerWaalsContact O-N 3.14Å; W216-K218 VanDerWaalsContact C-N 3.27Å; W216-K218 PolarHBondContact O-N 2.81Å; K218-C222 WeakPolarHBondContact O-CB 3.38Å |
| 219 | I | 71.1 | Confident | 69.4 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 67% | 0.672 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -85.8 | -30.9 | 179.9 | -121.3 | 151.7 | 0 | 0 | 0 | 112.6 | F215 W216 H217 P223 | F215-I219 PolarHBondContact O-N 3Å; W216-I219 PolarHBondContact O-N 3.42Å; H217-I219 VanDerWaalsContact C-N 3.28Å; H217-I219 PolarHBondContact O-N 3.47Å; I219-P223 WeakPolarHBondContact O-CD 3.22Å; I219-P223 WeakPolarHBondContact O-CG 3.11Å |
| 220 | T | 72.5 | Confident | 70 | Confident | 60 Ų | 60 | 104.9 Ų | 104.9 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -93.1 | -43.9 | 179.3 | 56 | 0 | 0 | 0 | 0 | 112.4 | W216 H217 P223 F224 | W216-T220 PolarHBondContact O-N 3Å; W216-T220 PolarHBondContact O-OG1 3.49Å; H217-T220 PolarHBondContact O-N 2.86Å; T220-P223 VanDerWaalsContact O-CD 3.29Å; T220-P223 WeakPolarHBondContact O-CD 3.31Å; T220-P223 VanDerWaalsContact O-CG 3.27Å; T220-P223 WeakPolarHBondContact O-CG 3.25Å; T220-F224 WeakPolarHBondContact O-CD2 3.38Å; T220-F224 PolarHBondContact O-N 3.47Å |
| 221 | I | 74.3 | Confident | 70.8 | Confident | 40 Ų | 40 | 106 Ų | 106 | 21% | 0.205 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -78.4 | -33.7 | -173.4 | -64.7 | -121 | 0 | 0 | 0 | 112.5 | Y209 H217 F224 L225 | Y209-I221 HydrophobicContact CD1-CG2 3.72Å; Y209-I221 HydrophobicContact CE1-CB 4.47Å; Y209-I221 HydrophobicContact CE1-CD1 4.11Å; Y209-I221 HydrophobicContact CE1-CG2 3.61Å; H217-I221 WeakPolarHBondContact CE1-CD1 3.47Å; H217-I221 VanDerWaalsContact CE1-CG1 3.47Å; H217-I221 WeakPolarHBondContact CE1-CG1 3.17Å; H217-I221 WeakPolarHBondContact ND1-CG1 3.13Å; H217-I221 WeakPolarHBondContact O-CA 3.37Å; H217-I221 WeakPolarHBondContact O-CB 3.3Å; H217-I221 PolarHBondContact O-N 3.32Å; I221-F224 PolarHBondContact O-N 2.86Å; I221-L225 HydrophobicContact CG2-CD1 3.38Å; I221-L225 PolarHBondContact O-N 3.31Å |
| 222 | C | 71.4 | Confident | 71.2 | Confident | 38 Ų | 38 | 102.3 Ų | 102.3 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 113.1 | K218 F224 L225 I226 | K218-C222 WeakPolarHBondContact O-CB 3.38Å; C222-F224 VanDerWaalsContact C-N 3.35Å; C222-F224 PolarHBondContact O-N 2.91Å; C222-L225 PolarHBondContact O-N 3.43Å; C222-I226 WeakPolarHBondContact O-CG1 3.47Å; C222-I226 PolarHBondContact O-N 3.3Å |
| 223 | P | 79.6 | Confident | 72.4 | Confident | 59 Ų | 59 | 95.2 Ų | 95.2 | 38% | 0.383 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 174.9 | 25.3 | -33.1 | 0 | 0 | 0 | 112.4 | I219 T220 I226 I227 | I219-P223 WeakPolarHBondContact O-CD 3.22Å; I219-P223 WeakPolarHBondContact O-CG 3.11Å; T220-P223 VanDerWaalsContact O-CD 3.29Å; T220-P223 WeakPolarHBondContact O-CD 3.31Å; T220-P223 VanDerWaalsContact O-CG 3.27Å; T220-P223 WeakPolarHBondContact O-CG 3.25Å; P223-I226 PolarHBondContact O-N 3.43Å; P223-I227 WeakPolarHBondContact O-CB 3.21Å; P223-I227 WeakPolarHBondContact O-CD1 3.21Å; P223-I227 WeakPolarHBondContact O-CG1 3.19Å; P223-I227 PolarHBondContact O-N 3.04Å |
| 224 | F | 78.9 | Confident | 73.6 | Confident | 118 Ų | 118 | 88.5 Ų | 88.5 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175 | -92.3 | -66.7 | 0 | 0 | 0 | 112.4 | T220 I221 C222 I226 I227 F228 | T220-F224 WeakPolarHBondContact O-CD2 3.38Å; T220-F224 PolarHBondContact O-N 3.47Å; I221-F224 PolarHBondContact O-N 2.86Å; C222-F224 VanDerWaalsContact C-N 3.35Å; C222-F224 PolarHBondContact O-N 2.91Å; F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.47Å; F224-I227 PolarHBondContact O-N 3.49Å; F224-F228 HydrophobicContact CB-CD2 4.28Å; F224-F228 HydrophobicContact CB-CE2 4.38Å; F224-F228 HydrophobicContact CD1-CD2 4.07Å; F224-F228 AromaticContact CD1-CE2 3.47Å; F224-F228 HydrophobicContact CD1-CE2 3.47Å; F224-F228 VanDerWaalsContact CD1-CE2 3.47Å; F224-F228 HydrophobicContact CD1-CZ 4.34Å; F224-F228 HydrophobicContact CE1-CE2 4.16Å; F224-F228 HydrophobicContact CG-CE2 4.32Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 WeakPolarHBondContact O-CD2 3.16Å; F224-F228 PolarHBondContact O-N 2.95Å |
| 225 | L | 77.5 | Confident | 75.1 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 12% | 0.12 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 176.4 | -111.7 | 105.5 | 0 | 0 | 0 | 112 | W202 V205 F206 I221 C222 I227 Y229 | W202-L225 HydrophobicContact CZ2-CB 4.34Å; W202-L225 HydrophobicContact CZ2-CD2 3.95Å; W202-L225 HydrophobicContact CZ2-CG 3.95Å; W202-L225 WeakPolarHBondContact CZ2-O 3.17Å; W202-L225 PolarHBondContact NE1-O 3.42Å; V205-L225 HydrophobicContact CG1-CD2 4.2Å; F206-L225 HydrophobicContact CB-CD2 4.5Å; F206-L225 HydrophobicContact CD2-CD2 4.44Å; I221-L225 HydrophobicContact CG2-CD1 3.38Å; I221-L225 PolarHBondContact O-N 3.31Å; C222-L225 PolarHBondContact O-N 3.43Å; L225-I227 VanDerWaalsContact C-N 3.35Å; L225-Y229 WeakPolarHBondContact O-CB 3.44Å; L225-Y229 PolarHBondContact O-N 3.17Å |
| 226 | I | 81.9 | Confident | 75.7 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 177.7 | -66.4 | 167 | 0 | 0 | 0 | 111 | C222 P223 F224 Y229 P230 | C222-I226 WeakPolarHBondContact O-CG1 3.47Å; C222-I226 PolarHBondContact O-N 3.3Å; P223-I226 PolarHBondContact O-N 3.43Å; F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.47Å; I226-Y229 WeakPolarHBondContact O-CB 3.34Å; I226-P230 VanDerWaalsContact O-CD 3.28Å; I226-P230 WeakPolarHBondContact O-CD 3.24Å |
| 227 | I | 85.5 | Confident | 76.5 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72 | -39.7 | 177.5 | -70 | 165 | 0 | 0 | 0 | 111.4 | P223 F224 L225 Y229 P230 V231 | P223-I227 WeakPolarHBondContact O-CB 3.21Å; P223-I227 WeakPolarHBondContact O-CD1 3.21Å; P223-I227 WeakPolarHBondContact O-CG1 3.19Å; P223-I227 PolarHBondContact O-N 3.04Å; F224-I227 PolarHBondContact O-N 3.49Å; L225-I227 VanDerWaalsContact C-N 3.35Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; I227-P230 WeakPolarHBondContact O-CD 3.41Å; I227-V231 WeakPolarHBondContact O-CG2 3.44Å |
| 228 | F | 81.6 | Confident | 77.1 | Confident | 99 Ų | 99 | 73 Ų | 73 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.1 | -21.7 | 179.4 | -79.7 | -63.9 | 0 | 0 | 0 | 113.5 | W202 F224 V231 L232 | W202-F228 HydrophobicContact CH2-CB 4.34Å; W202-F228 HydrophobicContact CZ2-CB 4.44Å; F224-F228 HydrophobicContact CB-CD2 4.28Å; F224-F228 HydrophobicContact CB-CE2 4.38Å; F224-F228 HydrophobicContact CD1-CD2 4.07Å; F224-F228 AromaticContact CD1-CE2 3.47Å; F224-F228 HydrophobicContact CD1-CE2 3.47Å; F224-F228 VanDerWaalsContact CD1-CE2 3.47Å; F224-F228 HydrophobicContact CD1-CZ 4.34Å; F224-F228 HydrophobicContact CE1-CE2 4.16Å; F224-F228 HydrophobicContact CG-CE2 4.32Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 WeakPolarHBondContact O-CD2 3.16Å; F224-F228 PolarHBondContact O-N 2.95Å; F228-V231 PolarHBondContact O-N 3.01Å; F228-L232 HydrophobicContact CB-CD1 4.22Å; F228-L232 WeakPolarHBondContact O-CB 3.47Å; F228-L232 WeakPolarHBondContact O-CG 3.2Å; F228-L232 PolarHBondContact O-N 3.1Å |
| 229 | Y | 80.4 | Confident | 77.3 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -50.4 | -61.9 | 178.3 | 169.4 | -115.8 | 0 | 0 | 0 | 114.1 | T199 W202 L225 I226 I227 V231 L232 I233 | T199-Y229 HydrophobicContact CG2-CE2 4.28Å; T199-Y229 WeakPolarHBondContact CG2-OH 3.5Å; W202-Y229 HydrophobicContact CB-CD2 4Å; W202-Y229 HydrophobicContact CB-CE2 4.12Å; W202-Y229 AromaticContact CD1-CD2 3.29Å; W202-Y229 AromaticContact CD1-CG 3.9Å; W202-Y229 AromaticContact CD2-CD2 3.89Å; W202-Y229 HydrophobicContact CD2-CD2 3.89Å; W202-Y229 AromaticContact CG-CD2 3.43Å; W202-Y229 HydrophobicContact CG-CD2 3.43Å; W202-Y229 VanDerWaalsContact CG-CD2 3.43Å; W202-Y229 HydrophobicContact CG-CE2 4.04Å; W202-Y229 HydrophobicContact CG-CG 4.39Å; W202-Y229 AromaticContact NE1-CD2 3.67Å; W202-Y229 AromaticContact NE1-CG 3.88Å; L225-Y229 WeakPolarHBondContact O-CB 3.44Å; L225-Y229 PolarHBondContact O-N 3.17Å; I226-Y229 WeakPolarHBondContact O-CB 3.34Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-V231 VanDerWaalsContact C-N 3.28Å; Y229-V231 PolarHBondContact O-N 3Å; Y229-L232 PolarHBondContact O-N 3.42Å; Y229-I233 HydrophobicContact CD2-CG1 3.8Å; Y229-I233 HydrophobicContact CE2-CG1 3.78Å; Y229-I233 VanDerWaalsContact O-CB 3.28Å; Y229-I233 WeakPolarHBondContact O-CB 3.32Å; Y229-I233 VanDerWaalsContact O-CG1 3.29Å; Y229-I233 WeakPolarHBondContact O-CG1 3.41Å; Y229-I233 PolarHBondContact O-N 3.02Å |
| 230 | P | 80.4 | Confident | 77 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.4 | -29.4 | -179.9 | 29.1 | -35.5 | 0 | 0 | 0 | 112.1 | I226 I227 L232 M234 | I226-P230 VanDerWaalsContact O-CD 3.28Å; I226-P230 WeakPolarHBondContact O-CD 3.24Å; I227-P230 WeakPolarHBondContact O-CD 3.41Å; P230-L232 VanDerWaalsContact C-N 3.33Å; P230-L232 PolarHBondContact O-N 3Å; P230-M234 WeakPolarHBondContact O-CB 3.21Å; P230-M234 VanDerWaalsContact O-CG 3.27Å; P230-M234 WeakPolarHBondContact O-CG 3.29Å; P230-M234 PolarHBondContact O-N 3.23Å; P230-M234 VanDerWaalsContact O-N 3.15Å |
| 231 | V | 82.9 | Confident | 76.7 | Confident | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.527 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.8 | -30.3 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | I227 F228 Y229 P235 | I227-V231 WeakPolarHBondContact O-CG2 3.44Å; F228-V231 PolarHBondContact O-N 3.01Å; Y229-V231 VanDerWaalsContact C-N 3.28Å; Y229-V231 PolarHBondContact O-N 3Å; V231-P235 WeakPolarHBondContact O-CD 3.18Å; V231-P235 WeakPolarHBondContact O-CG 3.47Å |
| 232 | L | 75.6 | Confident | 76.5 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -94.4 | -42.7 | 177.7 | -66.4 | 174.8 | 0 | 0 | 0 | 112.3 | W202 F228 Y229 P230 P235 L236 | W202-L232 HydrophobicContact CH2-CD1 3.79Å; W202-L232 HydrophobicContact CZ3-CD1 3.88Å; F228-L232 HydrophobicContact CB-CD1 4.22Å; F228-L232 WeakPolarHBondContact O-CB 3.47Å; F228-L232 WeakPolarHBondContact O-CG 3.2Å; F228-L232 PolarHBondContact O-N 3.1Å; Y229-L232 PolarHBondContact O-N 3.42Å; P230-L232 VanDerWaalsContact C-N 3.33Å; P230-L232 PolarHBondContact O-N 3Å; L232-P235 WeakPolarHBondContact O-CD 3.23Å; L232-P235 WeakPolarHBondContact O-CG 3.43Å; L232-L236 VanDerWaalsContact O-CB 3.3Å; L232-L236 WeakPolarHBondContact O-CB 3.03Å; L232-L236 WeakPolarHBondContact O-CD1 3.05Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.29Å |
| 233 | I | 80 | Confident | 76.2 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | -176.9 | -69.1 | -69.1 | 0 | 0 | 0 | 111.9 | F195 Y229 A237 | F195-I233 HydrophobicContact CD2-CG2 3.36Å; F195-I233 HydrophobicContact CE2-CG2 3.6Å; F195-I233 HydrophobicContact CG-CG2 4.37Å; Y229-I233 HydrophobicContact CD2-CG1 3.8Å; Y229-I233 HydrophobicContact CE2-CG1 3.78Å; Y229-I233 VanDerWaalsContact O-CB 3.28Å; Y229-I233 WeakPolarHBondContact O-CB 3.32Å; Y229-I233 VanDerWaalsContact O-CG1 3.29Å; Y229-I233 WeakPolarHBondContact O-CG1 3.41Å; Y229-I233 PolarHBondContact O-N 3.02Å; I233-A237 WeakPolarHBondContact O-CB 3.39Å; I233-A237 PolarHBondContact O-N 3.36Å |
| 234 | M | 79.3 | Confident | 75.5 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -53.2 | -179.4 | -74.4 | -66.7 | -172.1 | 0 | 0 | 113.4 | F191 P230 L238 | F191-M234 HydrophobicContact CE2-SD 4.48Å; F191-M234 HydrophobicContact CZ-SD 3.91Å; P230-M234 WeakPolarHBondContact O-CB 3.21Å; P230-M234 VanDerWaalsContact O-CG 3.27Å; P230-M234 WeakPolarHBondContact O-CG 3.29Å; P230-M234 PolarHBondContact O-N 3.23Å; P230-M234 VanDerWaalsContact O-N 3.15Å; M234-L238 WeakPolarHBondContact O-CB 3.25Å; M234-L238 PolarHBondContact O-N 3.33Å |
| 235 | P | 79.1 | Confident | 74.7 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 112.8 | V231 L232 S239 | V231-P235 WeakPolarHBondContact O-CD 3.18Å; V231-P235 WeakPolarHBondContact O-CG 3.47Å; L232-P235 WeakPolarHBondContact O-CD 3.23Å; L232-P235 WeakPolarHBondContact O-CG 3.43Å; P235-S239 VanDerWaalsContact O-CB 3.23Å; P235-S239 WeakPolarHBondContact O-CB 3.47Å; P235-S239 PolarHBondContact O-N 3.47Å; P235-S239 PolarHBondContact O-OG 3.47Å |
| 236 | L | 69.6 | Low | 74 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -53.6 | 174.1 | -72.9 | 169.6 | 0 | 0 | 0 | 110.4 | L232 L238 S239 L240 | L232-L236 VanDerWaalsContact O-CB 3.3Å; L232-L236 WeakPolarHBondContact O-CB 3.03Å; L232-L236 WeakPolarHBondContact O-CD1 3.05Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.29Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 3.37Å; L236-S239 PolarHBondContact O-N 3.48Å; L236-S239 PolarHBondContact O-OG 3.41Å; L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 VanDerWaalsContact O-CD1 3.29Å; L236-L240 WeakPolarHBondContact O-CD1 3.5Å; L236-L240 WeakPolarHBondContact O-CG 3.22Å; L236-L240 PolarHBondContact O-N 3.4Å |
| 237 | A | 76.1 | Confident | 72.8 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F191 I233 A241 | F191-A237 HydrophobicContact CD2-CB 3.85Å; F191-A237 HydrophobicContact CE2-CB 3.76Å; I233-A237 WeakPolarHBondContact O-CB 3.39Å; I233-A237 PolarHBondContact O-N 3.36Å; A237-A241 WeakPolarHBondContact O-CB 3.29Å; A237-A241 PolarHBondContact O-N 2.99Å |
| 238 | L | 76.1 | Confident | 71.2 | Confident | 97 Ų | 97 | 64 Ų | 64 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 177.2 | -167 | 96.9 | 0 | 0 | 0 | 111.9 | F187 M234 L236 L240 A241 L242 | F187-L238 HydrophobicContact CZ-CD1 4.35Å; M234-L238 WeakPolarHBondContact O-CB 3.25Å; M234-L238 PolarHBondContact O-N 3.33Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 3.37Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-A241 PolarHBondContact O-N 3.45Å; L238-L242 WeakPolarHBondContact O-CB 3.22Å; L238-L242 PolarHBondContact O-N 3.14Å |
| 239 | S | 69.3 | Low | 69.9 | Low | 63 Ų | 63 | 63.7 Ų | 63.7 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 178 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | P235 L236 Y243 | P235-S239 VanDerWaalsContact O-CB 3.23Å; P235-S239 WeakPolarHBondContact O-CB 3.47Å; P235-S239 PolarHBondContact O-N 3.47Å; P235-S239 PolarHBondContact O-OG 3.47Å; L236-S239 PolarHBondContact O-N 3.48Å; L236-S239 PolarHBondContact O-OG 3.41Å; S239-Y243 WeakPolarHBondContact O-CB 3.31Å; S239-Y243 PolarHBondContact O-N 3.47Å |
| 240 | L | 64.5 | Low | 68.3 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 173.7 | -86 | 148.4 | 0 | 0 | 0 | 112.6 | L236 L238 Y243 S244 F267 | L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 VanDerWaalsContact O-CD1 3.29Å; L236-L240 WeakPolarHBondContact O-CD1 3.5Å; L236-L240 WeakPolarHBondContact O-CG 3.22Å; L236-L240 PolarHBondContact O-N 3.4Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L240-Y243 PolarHBondContact O-N 2.97Å; L240-S244 WeakPolarHBondContact O-CB 2.9Å; L240-S244 PolarHBondContact O-N 2.92Å; L240-S244 PolarHBondContact O-OG 3.13Å; L240-F267 HydrophobicContact CD1-CE1 3.84Å; L240-F267 HydrophobicContact CD1-CZ 4Å; L240-F267 HydrophobicContact CD2-CD1 3.7Å; L240-F267 HydrophobicContact CD2-CD2 3.99Å; L240-F267 HydrophobicContact CD2-CE1 3.68Å; L240-F267 HydrophobicContact CD2-CE2 3.96Å; L240-F267 HydrophobicContact CD2-CG 3.86Å; L240-F267 HydrophobicContact CD2-CZ 3.81Å; L240-F267 HydrophobicContact CG-CE1 4.3Å; L240-F267 HydrophobicContact CG-CZ 4.23Å |
| 241 | A | 66.1 | Low | 66.4 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F187 F191 A237 L238 S244 A245 | F187-A241 VanDerWaalsContact CD2-C 3.46Å; F187-A241 HydrophobicContact CD2-CB 3.58Å; F187-A241 VanDerWaalsContact CD2-O 3.26Å; F187-A241 WeakPolarHBondContact CD2-O 3.18Å; F187-A241 HydrophobicContact CE1-CB 4.47Å; F187-A241 VanDerWaalsContact CE2-C 3.48Å; F187-A241 HydrophobicContact CE2-CB 3.38Å; F187-A241 HydrophobicContact CG-CB 4.21Å; F187-A241 HydrophobicContact CZ-CB 3.87Å; F191-A241 HydrophobicContact CB-CB 3.99Å; F191-A241 HydrophobicContact CD2-CB 4.46Å; A237-A241 WeakPolarHBondContact O-CB 3.29Å; A237-A241 PolarHBondContact O-N 2.99Å; L238-A241 PolarHBondContact O-N 3.45Å; A241-S244 PolarHBondContact O-N 3.37Å; A241-S244 PolarHBondContact O-OG 3.11Å; A241-A245 VanDerWaalsContact O-CB 3.3Å; A241-A245 WeakPolarHBondContact O-CB 3.36Å; A241-A245 PolarHBondContact O-N 3.45Å |
| 242 | L | 70.1 | Confident | 64.5 | Low | 100 Ų | 100 | 67.9 Ų | 67.9 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 176.4 | -174.9 | 63.6 | 0 | 0 | 0 | 111 | F187 L238 A245 V246 | F187-L242 HydrophobicContact CE2-CB 4.41Å; L238-L242 WeakPolarHBondContact O-CB 3.22Å; L238-L242 PolarHBondContact O-N 3.14Å; L242-A245 PolarHBondContact O-N 3.16Å; L242-V246 HydrophobicContact CD1-CG2 4.48Å; L242-V246 WeakPolarHBondContact O-CB 3.43Å; L242-V246 WeakPolarHBondContact O-CG2 3.46Å; L242-V246 PolarHBondContact O-N 3.47Å |
| 243 | Y | 66.1 | Low | 62.9 | Low | 166 Ų | 166 | 69.1 Ų | 69.1 | 65% | 0.651 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 174.6 | -180 | -99.7 | 0 | 0 | 0 | 111.3 | S239 L240 V246 V247 | S239-Y243 WeakPolarHBondContact O-CB 3.31Å; S239-Y243 PolarHBondContact O-N 3.47Å; L240-Y243 PolarHBondContact O-N 2.97Å; Y243-V246 PolarHBondContact O-N 3.49Å; Y243-V247 HydrophobicContact CD1-CG2 4.33Å; Y243-V247 HydrophobicContact CD2-CG2 4.28Å; Y243-V247 HydrophobicContact CE1-CG2 3.99Å; Y243-V247 HydrophobicContact CE2-CG2 3.94Å; Y243-V247 HydrophobicContact CG-CG2 4.47Å; Y243-V247 WeakPolarHBondContact O-CB 3.11Å; Y243-V247 VanDerWaalsContact O-CG2 3.29Å; Y243-V247 WeakPolarHBondContact O-CG2 3.31Å; Y243-V247 PolarHBondContact O-N 3.34Å |
| 244 | S | 64.3 | Low | 61.2 | Low | 5 Ų | 5 | 71.8 Ų | 71.8 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.7 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | L240 A241 V246 V247 Q248 | L240-S244 WeakPolarHBondContact O-CB 2.9Å; L240-S244 PolarHBondContact O-N 2.92Å; L240-S244 PolarHBondContact O-OG 3.13Å; A241-S244 PolarHBondContact O-N 3.37Å; A241-S244 PolarHBondContact O-OG 3.11Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.16Å; S244-V247 PolarHBondContact O-N 3.17Å; S244-Q248 WeakPolarHBondContact O-CB 3.36Å; S244-Q248 VanDerWaalsContact O-CD 3.26Å; S244-Q248 WeakPolarHBondContact O-CG 3.44Å; S244-Q248 PolarHBondContact O-N 3.25Å; S244-Q248 PolarHBondContact O-NE2 3.24Å |
| 245 | A | 63.3 | Low | 59.5 | Low | 21 Ų | 21 | 73.4 Ų | 73.4 | 17% | 0.174 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F187 A241 L242 | F187-A245 HydrophobicContact CB-CB 4.47Å; F187-A245 HydrophobicContact CD2-CB 4.05Å; A241-A245 VanDerWaalsContact O-CB 3.3Å; A241-A245 WeakPolarHBondContact O-CB 3.36Å; A241-A245 PolarHBondContact O-N 3.45Å; L242-A245 PolarHBondContact O-N 3.16Å |
| 246 | V | 61.8 | Low | 57.8 | Low | 96 Ų | 96 | 70.9 Ų | 70.9 | 58% | 0.582 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -73.6 | -43.3 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L242 Y243 S244 Q248 V249 | L242-V246 HydrophobicContact CD1-CG2 4.48Å; L242-V246 WeakPolarHBondContact O-CB 3.43Å; L242-V246 WeakPolarHBondContact O-CG2 3.46Å; L242-V246 PolarHBondContact O-N 3.47Å; Y243-V246 PolarHBondContact O-N 3.49Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.16Å; V246-Q248 VanDerWaalsContact C-N 3.29Å; V246-Q248 PolarHBondContact O-N 3.41Å; V246-V249 PolarHBondContact O-N 3.34Å |
| 247 | V | 56.7 | Low | 56.5 | Low | 76 Ų | 76 | 70.8 Ų | 70.8 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.6 | -26.4 | 179 | 173.7 | 0 | 0 | 0 | 0 | 112 | Y243 S244 V249 | Y243-V247 HydrophobicContact CD1-CG2 4.33Å; Y243-V247 HydrophobicContact CD2-CG2 4.28Å; Y243-V247 HydrophobicContact CE1-CG2 3.99Å; Y243-V247 HydrophobicContact CE2-CG2 3.94Å; Y243-V247 HydrophobicContact CG-CG2 4.47Å; Y243-V247 WeakPolarHBondContact O-CB 3.11Å; Y243-V247 VanDerWaalsContact O-CG2 3.29Å; Y243-V247 WeakPolarHBondContact O-CG2 3.31Å; Y243-V247 PolarHBondContact O-N 3.34Å; S244-V247 PolarHBondContact O-N 3.17Å; V247-V249 PolarHBondContact O-N 3.16Å |
| 248 | Q | 51.6 | Low | 55.1 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.6 | 176.3 | -79.3 | 169.5 | 32.4 | 0 | 0 | 114.8 | V186 S244 V246 S250 V260 | V186-Q248 VanDerWaalsContact CG1-NE2 3.29Å; S244-Q248 WeakPolarHBondContact O-CB 3.36Å; S244-Q248 VanDerWaalsContact O-CD 3.26Å; S244-Q248 WeakPolarHBondContact O-CG 3.44Å; S244-Q248 PolarHBondContact O-N 3.25Å; S244-Q248 PolarHBondContact O-NE2 3.24Å; V246-Q248 VanDerWaalsContact C-N 3.29Å; V246-Q248 PolarHBondContact O-N 3.41Å; Q248-S250 PolarHBondContact O-N 2.74Å; Q248-V260 HydrophobicContact CG-CG2 4.05Å |
| 249 | V | 54.1 | Low | 53.6 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | trans | -79.3 | 76.7 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V246 V247 | V246-V249 PolarHBondContact O-N 3.34Å; V247-V249 PolarHBondContact O-N 3.16Å | ||
| 250 | S | 47.6 | Very low | 52.5 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | trans | -116.6 | 145 | 173.3 | -83.3 | 0 | 0 | 0 | 0 | 111.5 | Q248 A252 | Q248-S250 PolarHBondContact O-N 2.74Å; S250-A252 PolarHBondContact O-N 3.49Å; S250-A252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | W | 39.6 | Very low | 51.7 | Low | 188 Ų | 188 | 78.8 Ų | 78.8 | 71% | 0.712 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -76.2 | 8 | -173.8 | -133.6 | 27.3 | 0 | 0 | 0 | 113.9 | V176 | V176-W251 VanDerWaalsContact CG2-CD1 3.5Š|
| 252 | A | 42.9 | Very low | 50.5 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | trans | -137.8 | 126 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S250 | S250-A252 PolarHBondContact O-N 3.49Å; S250-A252 VanDerWaalsContact O-N 3.13Å | ||
| 253 | F | 42.9 | Very low | 49.1 | Very low | 101 Ų | 101 | 81.1 Ų | 81.1 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -78.6 | -24 | -171.4 | -173.3 | -100.7 | 0 | 0 | 0 | 114.3 | V175 W256 W257 | V175-F253 HydrophobicContact CG1-CB 4.34Å; F253-W256 HydrophobicContact CD2-CE3 4.17Å; F253-W256 HydrophobicContact CD2-CZ3 4.45Å; F253-W256 HydrophobicContact CE2-CE3 4.04Å; F253-W256 AromaticContact CE2-CZ3 3.87Å; F253-W256 HydrophobicContact CE2-CZ3 3.87Å; F253-W256 HydrophobicContact CZ-CZ3 4.24Å; F253-W257 PolarHBondContact O-N 3.15Å |
| 254 | S | 43.8 | Very low | 48.3 | Very low | 70 Ų | 70 | 76.7 Ų | 76.7 | 49% | 0.49 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.6 | -43.9 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | W256 W257 L258 | S254-W256 VanDerWaalsContact C-N 3.27Å; S254-W256 PolarHBondContact O-N 3.11Å; S254-W257 PolarHBondContact O-N 2.95Å; S254-L258 PolarHBondContact O-N 3.32Å |
| 255 | E | 44 | Very low | 47.2 | Very low | 127 Ų | 127 | 80.1 Ų | 80.1 | 59% | 0.593 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.7 | -31.5 | 175.6 | -65.1 | -62.1 | 118.3 | 0 | 0 | 111.7 | A259 | E255-A259 VanDerWaalsContact O-CB 3.31Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 3Å |
| 256 | W | 44.2 | Very low | 46.3 | Very low | 15 Ų | 15 | 81.6 Ų | 81.6 | 6% | 0.057 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177 | 173.6 | 82.3 | 0 | 0 | 0 | 112.7 | V186 F253 S254 A259 V260 | V186-W256 HydrophobicContact CG2-CZ2 3.93Å; F253-W256 HydrophobicContact CD2-CE3 4.17Å; F253-W256 HydrophobicContact CD2-CZ3 4.45Å; F253-W256 HydrophobicContact CE2-CE3 4.04Å; F253-W256 AromaticContact CE2-CZ3 3.87Å; F253-W256 HydrophobicContact CE2-CZ3 3.87Å; F253-W256 HydrophobicContact CZ-CZ3 4.24Å; S254-W256 VanDerWaalsContact C-N 3.27Å; S254-W256 PolarHBondContact O-N 3.11Å; W256-A259 PolarHBondContact O-N 3.37Å; W256-V260 HydrophobicContact CD2-CG2 4.34Å; W256-V260 HydrophobicContact CZ2-CG2 4.38Å; W256-V260 WeakPolarHBondContact O-CB 3.45Å; W256-V260 WeakPolarHBondContact O-CG2 3.3Å; W256-V260 PolarHBondContact O-N 2.88Å |
| 257 | W | 42.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 81.1 Ų | 81.1 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.1 | -32.8 | -179.9 | -169.4 | -110 | 0 | 0 | 0 | 112.7 | I20 F253 S254 R261 | I20-W257 HydrophobicContact CG1-CH2 4.12Å; I20-W257 HydrophobicContact CG1-CZ3 4.38Å; F253-W257 PolarHBondContact O-N 3.15Å; S254-W257 PolarHBondContact O-N 2.95Å; W257-R261 PolarHBondContact O-N 3.24Å |
| 258 | L | 45.2 | Very low | 44.6 | Very low | 94 Ų | 94 | 81 Ų | 81 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.9 | -45.5 | 173.8 | -157.9 | 76.9 | 0 | 0 | 0 | 110.9 | S254 V260 R261 D262 | S254-L258 PolarHBondContact O-N 3.32Å; L258-V260 PolarHBondContact O-N 3.32Å; L258-R261 WeakPolarHBondContact O-CB 3.33Å; L258-R261 PolarHBondContact O-N 3.17Å; L258-R261 VanDerWaalsContact O-N 3.1Å; L258-D262 PolarHBondContact O-N 2.94Å |
| 259 | A | 45.5 | Very low | 44.2 | Very low | 58 Ų | 58 | 82.4 Ų | 82.4 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E255 W256 R261 D262 | E255-A259 VanDerWaalsContact O-CB 3.31Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 3Å; W256-A259 PolarHBondContact O-N 3.37Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-D262 PolarHBondContact O-N 3.36Å |
| 260 | V | 47 | Very low | 43.6 | Very low | 41 Ų | 41 | 85.9 Ų | 85.9 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -71.2 | -28.3 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | V186 Q248 W256 L258 | V186-V260 HydrophobicContact CG1-CG1 4.38Å; V186-V260 HydrophobicContact CG1-CG2 4.46Å; Q248-V260 HydrophobicContact CG-CG2 4.05Å; W256-V260 HydrophobicContact CD2-CG2 4.34Å; W256-V260 HydrophobicContact CZ2-CG2 4.38Å; W256-V260 WeakPolarHBondContact O-CB 3.45Å; W256-V260 WeakPolarHBondContact O-CG2 3.3Å; W256-V260 PolarHBondContact O-N 2.88Å; L258-V260 PolarHBondContact O-N 3.32Å |
| 261 | R | 46.6 | Very low | 43.1 | Very low | 178 Ų | 178 | 83.7 Ų | 83.7 | 67% | 0.672 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -77 | -31 | 172.8 | -86.2 | -170.7 | 65.2 | 133.6 | -0.3 | 113.5 | W257 L258 A259 L263 | W257-R261 PolarHBondContact O-N 3.24Å; L258-R261 WeakPolarHBondContact O-CB 3.33Å; L258-R261 PolarHBondContact O-N 3.17Å; L258-R261 VanDerWaalsContact O-N 3.1Å; A259-R261 VanDerWaalsContact C-N 3.32Å; R261-L263 PolarHBondContact O-N 3.37Å |
| 262 | D | 42 | Very low | 43.3 | Very low | 63 Ų | 63 | 76.4 Ų | 76.4 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -91.6 | 18.2 | -176.1 | -78.1 | -39.2 | 0 | 0 | 0 | 114.7 | L258 A259 E264 K265 | L258-D262 PolarHBondContact O-N 2.94Å; A259-D262 PolarHBondContact O-N 3.36Å; D262-E264 PolarHBondContact O-N 3.14Å; D262-E264 VanDerWaalsContact O-N 3.1Å; D262-K265 HydrophobicContact CB-CB 4.43Å; D262-K265 PolarHBondContact O-N 2.81Å; D262-K265 WeakPolarHBondContact OD1-CD 3.48Å; D262-K265 IonicContact OD1-NZ 3.72Å | ||
| 263 | L | 40.9 | Very low | 43.5 | Very low | 86 Ų | 86 | 77.4 Ų | 77.4 | 45% | 0.45 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -21.7 | -179.6 | -153.1 | 76.6 | 0 | 0 | 0 | 113.3 | R261 | R261-L263 PolarHBondContact O-N 3.37Å |
| 264 | E | 47.8 | Very low | 43.3 | Very low | 74 Ų | 74 | 80.3 Ų | 80.3 | 35% | 0.346 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -83 | -22.1 | 175.6 | -111.6 | 177.8 | 124.1 | 0 | 0 | 113.6 | Y197 D262 | Y197-E264 PolarHBondContact OH-OE1 3.09Å; Y197-E264 PolarHBondContact OH-OE2 2.88Å; D262-E264 PolarHBondContact O-N 3.14Å; D262-E264 VanDerWaalsContact O-N 3.1Å |
| 265 | K | 42 | Very low | 43.2 | Very low | 76 Ų | 76 | 82.6 Ų | 82.6 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -84.6 | -33.2 | -172.1 | -114.4 | 163.7 | -178.8 | 157.6 | 0 | 114.3 | D262 E287 L288 | D262-K265 HydrophobicContact CB-CB 4.43Å; D262-K265 PolarHBondContact O-N 2.81Å; D262-K265 WeakPolarHBondContact OD1-CD 3.48Å; D262-K265 IonicContact OD1-NZ 3.72Å; K265-E287 WeakPolarHBondContact CD-OE2 3.23Å; K265-E287 WeakPolarHBondContact CE-OE2 3.15Å; K265-E287 VanDerWaalsContact CG-OE2 3.31Å; K265-E287 WeakPolarHBondContact CG-OE2 3Å; K265-E287 IonicContact NZ-OE2 3.62Å; K265-E287 PolarHBondContact NZ-OE2 3.03Å; K265-E287 VanDerWaalsContact NZ-OE2 3.17Å; K265-L288 PolarHBondContact NZ-O 2.94Å |
| 266 | G | 45.1 | Very low | 42.8 | Very low | 53 Ų | 53 | 79.7 Ų | 79.7 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -84.6 | -43.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W270 | G266-W270 VanDerWaalsContact O-CB 3.29Å; G266-W270 WeakPolarHBondContact O-CB 3.29Å; G266-W270 PolarHBondContact O-N 3.03Å |
| 267 | F | 41.8 | Very low | 42.5 | Very low | 86 Ų | 86 | 83.9 Ų | 83.9 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -92.7 | -40.7 | -166 | -176.5 | -100.9 | 0 | 0 | 0 | 113.8 | L240 G269 W270 A271 | L240-F267 HydrophobicContact CD1-CE1 3.84Å; L240-F267 HydrophobicContact CD1-CZ 4Å; L240-F267 HydrophobicContact CD2-CD1 3.7Å; L240-F267 HydrophobicContact CD2-CD2 3.99Å; L240-F267 HydrophobicContact CD2-CE1 3.68Å; L240-F267 HydrophobicContact CD2-CE2 3.96Å; L240-F267 HydrophobicContact CD2-CG 3.86Å; L240-F267 HydrophobicContact CD2-CZ 3.81Å; L240-F267 HydrophobicContact CG-CE1 4.3Å; L240-F267 HydrophobicContact CG-CZ 4.23Å; F267-G269 VanDerWaalsContact C-N 3.27Å; F267-G269 PolarHBondContact O-N 3.27Å; F267-W270 HydrophobicContact CD2-CE3 4.02Å; F267-W270 HydrophobicContact CD2-CZ3 4.42Å; F267-W270 AromaticContact CE2-CE3 3.89Å; F267-W270 HydrophobicContact CE2-CE3 3.89Å; F267-W270 AromaticContact CE2-CZ3 3.86Å; F267-W270 HydrophobicContact CE2-CZ3 3.86Å; F267-W270 PolarHBondContact O-N 2.86Å; F267-A271 HydrophobicContact CE1-CB 4.35Å; F267-A271 HydrophobicContact CZ-CB 4.42Å; F267-A271 VanDerWaalsContact O-CB 3.23Å; F267-A271 WeakPolarHBondContact O-CB 3.29Å; F267-A271 PolarHBondContact O-N 3.12Å |
| 268 | C | 40.9 | Very low | 42.5 | Very low | 74 Ų | 74 | 88.7 Ų | 88.7 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | C272 | C268-C272 WeakPolarHBondContact O-CB 3.42Å; C268-C272 PolarHBondContact O-N 2.93Å |
| 269 | G | 42 | Very low | 42.2 | Very low | 48 Ų | 48 | 91.2 Ų | 91.2 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F267 G273 | F267-G269 VanDerWaalsContact C-N 3.27Å; F267-G269 PolarHBondContact O-N 3.27Å; G269-G273 PolarHBondContact O-N 3.33Å |
| 270 | W | 40.8 | Very low | 42 | Very low | 167 Ų | 167 | 91.4 Ų | 91.4 | 63% | 0.633 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 177.7 | 177.6 | 83.3 | 0 | 0 | 0 | 112.8 | G266 F267 G273 K274 | G266-W270 VanDerWaalsContact O-CB 3.29Å; G266-W270 WeakPolarHBondContact O-CB 3.29Å; G266-W270 PolarHBondContact O-N 3.03Å; F267-W270 HydrophobicContact CD2-CE3 4.02Å; F267-W270 HydrophobicContact CD2-CZ3 4.42Å; F267-W270 AromaticContact CE2-CE3 3.89Å; F267-W270 HydrophobicContact CE2-CE3 3.89Å; F267-W270 AromaticContact CE2-CZ3 3.86Å; F267-W270 HydrophobicContact CE2-CZ3 3.86Å; F267-W270 PolarHBondContact O-N 2.86Å; W270-G273 PolarHBondContact O-N 2.87Å; W270-K274 PolarHBondContact O-N 3.44Å |
| 271 | A | 39 | Very low | 41.4 | Very low | 21 Ų | 21 | 93 Ų | 93 | 17% | 0.174 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F267 G273 K274 L275 | F267-A271 HydrophobicContact CE1-CB 4.35Å; F267-A271 HydrophobicContact CZ-CB 4.42Å; F267-A271 VanDerWaalsContact O-CB 3.23Å; F267-A271 WeakPolarHBondContact O-CB 3.29Å; F267-A271 PolarHBondContact O-N 3.12Å; A271-G273 VanDerWaalsContact C-N 3.33Å; A271-G273 PolarHBondContact O-N 3.11Å; A271-K274 PolarHBondContact O-N 3.42Å; A271-L275 HydrophobicContact CB-CD1 4.47Å; A271-L275 WeakPolarHBondContact O-CB 3.18Å; A271-L275 WeakPolarHBondContact O-CD1 3.15Å; A271-L275 PolarHBondContact O-N 3.43Å |
| 272 | C | 42.8 | Very low | 40.7 | Very low | 36 Ų | 36 | 88.1 Ų | 88.1 | 24% | 0.243 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | C268 K274 L275 G276 L277 C280 | C268-C272 WeakPolarHBondContact O-CB 3.42Å; C268-C272 PolarHBondContact O-N 2.93Å; C272-K274 VanDerWaalsContact C-N 3.32Å; C272-K274 PolarHBondContact O-N 2.95Å; C272-L275 PolarHBondContact O-N 2.8Å; C272-G276 PolarHBondContact O-N 3.43Å; C272-G276 VanDerWaalsContact O-N 3.15Å; C272-L277 PolarHBondContact SG-O 3.06Å; C272-C280 HydrophobicContact CB-CB 3.87Å; C272-C280 WeakPolarHBondContact SG-CB 3.37Å |
| 273 | G | 46.3 | Very low | 40.5 | Very low | 66 Ų | 66 | 94.2 Ų | 94.2 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69 | -24.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G269 W270 A271 | G269-G273 PolarHBondContact O-N 3.33Å; W270-G273 PolarHBondContact O-N 2.87Å; A271-G273 VanDerWaalsContact C-N 3.33Å; A271-G273 PolarHBondContact O-N 3.11Å |
| 274 | K | 39.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 94.9 Ų | 94.9 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -88.7 | -28 | 175 | -89.6 | -70.7 | -175.1 | 178 | 0 | 114 | W270 A271 C272 | W270-K274 PolarHBondContact O-N 3.44Å; A271-K274 PolarHBondContact O-N 3.42Å; C272-K274 VanDerWaalsContact C-N 3.32Å; C272-K274 PolarHBondContact O-N 2.95Å |
| 275 | L | 42.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -88 | -13.8 | 179 | -85.7 | 111.1 | 0 | 0 | 0 | 114 | A271 C272 L277 | A271-L275 HydrophobicContact CB-CD1 4.47Å; A271-L275 WeakPolarHBondContact O-CB 3.18Å; A271-L275 WeakPolarHBondContact O-CD1 3.15Å; A271-L275 PolarHBondContact O-N 3.43Å; C272-L275 PolarHBondContact O-N 2.8Å; L275-L277 HydrophobicContact CB-CD1 4.43Å; L275-L277 WeakPolarHBondContact O-CD1 3.18Å; L275-L277 PolarHBondContact O-N 2.72Å; L275-L277 VanDerWaalsContact O-N 3.07Å |
| 276 | G | 35.2 | Very low | 39.5 | Very low | 66 Ų | 66 | 97.9 Ų | 97.9 | 68% | 0.68 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.4 | 19 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C272 | C272-G276 PolarHBondContact O-N 3.43Å; C272-G276 VanDerWaalsContact O-N 3.15Å |
| 277 | L | 38 | Very low | 38.9 | Very low | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | trans | -87.7 | 118.4 | 172.1 | -96.5 | 74.9 | 0 | 0 | 0 | 107.7 | C272 L275 D279 | C272-L277 PolarHBondContact SG-O 3.06Å; L275-L277 HydrophobicContact CB-CD1 4.43Å; L275-L277 WeakPolarHBondContact O-CD1 3.18Å; L275-L277 PolarHBondContact O-N 2.72Å; L275-L277 VanDerWaalsContact O-N 3.07Å; L277-D279 PolarHBondContact O-N 3.01Å; L277-D279 VanDerWaalsContact O-N 3.09Å | ||
| 278 | E | 41.9 | Very low | 38.5 | Very low | 192 Ų | 192 | 100.8 Ų | 100.8 | 90% | 0.897 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -70 | 2.9 | -178.9 | -70.6 | 178.4 | 126.3 | 0 | 0 | 114.3 | ||
| 279 | D | 39.5 | Very low | 38.2 | Very low | 148 Ų | 148 | 103.6 Ų | 103.6 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -145.8 | 66.9 | -179.8 | -74.6 | -58.2 | 0 | 0 | 0 | 113.1 | L277 | L277-D279 PolarHBondContact O-N 3.01Å; L277-D279 VanDerWaalsContact O-N 3.09Å | ||
| 280 | C | 40.1 | Very low | 37.9 | Very low | 61 Ų | 61 | 107.2 Ų | 107.2 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | trans | -84.8 | 0.7 | 174.8 | -76.5 | 0 | 0 | 0 | 0 | 115.9 | C272 | C272-C280 HydrophobicContact CB-CB 3.87Å; C272-C280 WeakPolarHBondContact SG-CB 3.37Å | ||
| 281 | S | 34.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 53% | 0.531 | 60% | 0.598 | S | S | . | * | trans | -128.8 | 115.8 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | Y283 | S281-Y283 PolarHBondContact O-N 3.5Å; S281-Y283 VanDerWaalsContact O-N 3.15Å | ||
| 282 | P | 32.9 | Very low | 37.7 | Very low | 75 Ų | 75 | 109.8 Ų | 109.8 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -75.9 | 5.2 | 176.6 | 31 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 283 | Y | 36.5 | Very low | 37.3 | Very low | 190 Ų | 190 | 114.5 Ų | 114.5 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -147.4 | 119.3 | 167.3 | -65.1 | -75 | 0 | 0 | 0 | 108.6 | S281 I285 | S281-Y283 PolarHBondContact O-N 3.5Å; S281-Y283 VanDerWaalsContact O-N 3.15Å; Y283-I285 PolarHBondContact O-N 3.2Å |
| 284 | S | 33.9 | Very low | 36.8 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | -61.4 | 100.4 | 168 | 175 | 0 | 0 | 0 | 0 | 108.5 | V286 | S284-V286 PolarHBondContact O-N 3.01Š| ||
| 285 | I | 35.9 | Very low | 36.5 | Very low | 98 Ų | 98 | 116.1 Ų | 116.1 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | trans | -79.6 | 101.2 | 157.7 | -58.8 | 172.5 | 0 | 0 | 0 | 104.1 | Y283 E287 | Y283-I285 PolarHBondContact O-N 3.2Å; I285-E287 HydrophobicContact CG2-CG 3.59Å; I285-E287 PolarHBondContact O-N 2.97Å | ||
| 286 | V | 39.3 | Very low | 35.9 | Very low | 115 Ų | 115 | 114 Ų | 114 | 70% | 0.697 | 67% | 0.672 | S | S | * | * | trans | -68.2 | 86 | 168.6 | -173.1 | 0 | 0 | 0 | 0 | 106.6 | S284 L288 | S284-V286 PolarHBondContact O-N 3.01Å; V286-L288 PolarHBondContact O-N 2.97Å | ||
| 287 | E | 33 | Very low | 35.7 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 35% | 0.346 | 68% | 0.678 | S | S | . | * | trans | -82 | 110.2 | 164.5 | -64 | -159.8 | 162.3 | 0 | 0 | 108.1 | K265 I285 L289 | K265-E287 WeakPolarHBondContact CD-OE2 3.23Å; K265-E287 WeakPolarHBondContact CE-OE2 3.15Å; K265-E287 VanDerWaalsContact CG-OE2 3.31Å; K265-E287 WeakPolarHBondContact CG-OE2 3Å; K265-E287 IonicContact NZ-OE2 3.62Å; K265-E287 PolarHBondContact NZ-OE2 3.03Å; K265-E287 VanDerWaalsContact NZ-OE2 3.17Å; I285-E287 HydrophobicContact CG2-CG 3.59Å; I285-E287 PolarHBondContact O-N 2.97Å; E287-L289 PolarHBondContact O-N 3.01Å | ||
| 288 | L | 34.6 | Very low | 35.5 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | trans | -47.7 | 109.3 | 158.4 | -82.6 | 71.6 | 0 | 0 | 0 | 107.7 | K265 V286 | K265-L288 PolarHBondContact NZ-O 2.94Å; V286-L288 PolarHBondContact O-N 2.97Å | ||
| 289 | L | 32.9 | Very low | 35 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | trans | -80.1 | 118.1 | 156.4 | -102.9 | 126.7 | 0 | 0 | 0 | 106.6 | E287 S291 | E287-L289 PolarHBondContact O-N 3.01Å; L289-S291 PolarHBondContact O-N 2.82Å | ||
| 290 | D | 35.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | trans | -48.6 | 119.8 | 162.7 | -105.5 | -29.3 | 0 | 0 | 0 | 108.9 | D292 | D290-D292 PolarHBondContact O-N 3.23Š| ||
| 291 | S | 37.8 | Very low | 34 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | -72.4 | 73.5 | 167.4 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | L289 | L289-S291 PolarHBondContact O-N 2.82Š| ||
| 292 | D | 38.2 | Very low | 33.7 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | -129.3 | 39 | 175.1 | -90.9 | -15.7 | 0 | 0 | 0 | 112.6 | D290 | D290-D292 PolarHBondContact O-N 3.23Š| ||
| 293 | T | 35.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -145.7 | 22.2 | 165.3 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 294 | V | 35.1 | Very low | 33 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -129 | 63.3 | 166.9 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 295 | S | 33.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -148.1 | 7.8 | 159.5 | -79.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 296 | G | 30.4 | Very low | 32.2 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -89 | -13.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 297 | T | 30.5 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -108.4 | 16.8 | -164.5 | -32.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 298 | L | 33.1 | Very low | 31.5 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -126.8 | 43.7 | 171.8 | -74.9 | 178.8 | 0 | 0 | 0 | 113 | ||
| 299 | Q | 32 | Very low | 31.2 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -135.6 | 46.3 | 166.2 | -126.2 | -171.1 | 18 | 0 | 0 | 112.4 | ||||
| 300 | S | 32.4 | Very low | 31.1 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -146.2 | 73.3 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 301 | K | 25.8 | Very low | 30.7 | Very low | 195 Ų | 195 | 132 Ų | 132 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -164.8 | 95.7 | 146.5 | -148.8 | 161.3 | 179.8 | 173.6 | 0 | 110.5 | ||||
| 302 | A | 28.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -66.6 | 144.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 303 | P | 29 | Very low | 30 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | -138.3 | 155.5 | 108.7 | 27.1 | -8.6 | 0 | 0 | 0 | 114.4 | |||||
| 304 | S | 25.7 | Very low | 29.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -62.9 | 143.6 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 305 | E | 27.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | 159.8 | 133 | 108.4 | -87.8 | -164.6 | 107 | 0 | 0 | 112.4 | |||||
| 306 | F | 26.2 | Very low | 29.2 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.803 | 82% | 0.818 | S | S | * | * | trans | 41.4 | 130 | 147.4 | -75.9 | -95.2 | 0 | 0 | 0 | 120.1 | ||||
| 307 | A | 28.8 | Very low | 29.1 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 82% | 0.823 | S | S | * | * | cis | -165.2 | 148.9 | 45.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 308 | Q | 27.9 | Very low | 29 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | 10.2 | 136.3 | 137.2 | -73.2 | 176.3 | -29.8 | 0 | 0 | 118.3 | ||||
| 309 | T | 28.8 | Very low | 28.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | -170.1 | 144 | 54.6 | 40.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 310 | S | 29.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 53.6 | 123.8 | 139.8 | 65.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 311 | S | 28.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -21.4 | 138 | 145.1 | 54.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 312 | V | 31.4 | Very low | 28.4 | Very low | 217 Ų | 217 | 133.3 Ų | 133.3 | 100% | 1.315 | 81% | 0.806 | S | S | * | * | -152.7 | 0 | 95.7 | 175.1 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 312 of 312 residues in 117.5 ms
(Link to these results)