| 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 | 98.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | 0 | 133.1 | 0 | -69.2 | 177.7 | -71.3 | 0 | 0 | 109 | P28 W46 V70 W73 L89 G90 G91 F92 G95 L98 A99 | M1-P28 HydrophobicContact CG-CG 4.17Å; M1-W46 HydrophobicContact CB-CZ2 3.87Å; M1-W46 HydrophobicContact CG-CH2 4.4Å; M1-W46 HydrophobicContact CG-CZ2 4.04Å; M1-V70 HydrophobicContact CE-CG2 4.19Å; M1-V70 HydrophobicContact SD-CG2 3.53Å; M1-V70 VanDerWaalsContact SD-CG2 3.53Å; M1-W73 HydrophobicContact SD-CZ3 4.32Å; M1-L89 HydrophobicContact CE-CD1 3.92Å; M1-L89 HydrophobicContact CE-CD2 4.27Å; M1-L89 HydrophobicContact CE-CG 4.11Å; M1-G90 PolarHBondContact N-O 3.49Å; M1-G91 CarbonylContact O-C 3.19Å; M1-G91 WeakPolarHBondContact O-CA 3.4Å; M1-F92 PolarHBondContact O-N 3.16Å; M1-G95 WeakPolarHBondContact CE-O 3.38Å; M1-L98 HydrophobicContact CE-CB 4.06Å; M1-L98 HydrophobicContact CE-CD2 4.27Å; M1-L98 HydrophobicContact CE-CG 3.93Å; M1-L98 HydrophobicContact SD-CB 4.33Å; M1-L98 HydrophobicContact SD-CD2 3.54Å; M1-L98 VanDerWaalsContact SD-CD2 3.54Å; M1-L98 HydrophobicContact SD-CG 3.88Å; M1-A99 VanDerWaalsContact CE-CA 3.41Å; M1-A99 HydrophobicContact CE-CB 3.61Å | |||
| 2 | H | 98.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | trans | -80.9 | 167.8 | -175.3 | 64.5 | 79.3 | 0 | 0 | 0 | 112.4 | D6 S7 G8 W11 P28 A30 W46 G95 | H2-D6 HydrophobicContact CB-CB 4.1Å; H2-D6 PolarHBondContact CE1-O 3.14Å; H2-D6 PolarHBondContact ND1-O 2.82Å; H2-S7 VanDerWaalsContact CD2-C 3.42Å; H2-G8 PolarHBondContact CD2-N 3.48Å; H2-W11 VanDerWaalsContact CB-CD1 3.47Å; H2-P28 PolarHBondContact CD2-O 3.29Å; H2-P28 VanDerWaalsContact CD2-O 3.29Å; H2-A30 VanDerWaalsContact CE1-CB 3.49Å; H2-A30 WeakPolarHBondContact CE1-CB 3.29Å; H2-A30 PolarHBondContact NE2-N 3.34Å; H2-W46 AromaticContact CD2-CZ2 3.79Å; H2-W46 AromaticContact NE2-CZ2 3.75Å; H2-W46 PolarHBondContact O-NE1 3.14Å; H2-G95 WeakPolarHBondContact O-CA 3.42Å; H2-G95 PolarHBondContact O-N 3.34Å | ||
| 3 | G | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -77.9 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G5 D6 F92 | G3-G5 PolarHBondContact O-N 3.01Å; G3-D6 PolarHBondContact O-N 3.14Å; G3-F92 WeakPolarHBondContact CA-O 3.45Å; G3-F92 PolarHBondContact N-O 3.17Å | ||
| 4 | L | 97.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133.5 | 177.2 | 178.7 | 69.7 | 0 | 0 | 0 | 111.7 | D6 V35 M43 S45 I49 | L4-D6 PolarHBondContact O-N 3.01Å; L4-V35 HydrophobicContact CD1-CG1 4.06Å; L4-V35 HydrophobicContact CD1-CG2 3.94Å; L4-V35 HydrophobicContact CD2-CG1 4.33Å; L4-M43 HydrophobicContact CD1-CG 4.1Å; L4-M43 HydrophobicContact CD1-SD 3.97Å; L4-M43 HydrophobicContact CD2-SD 4.26Å; L4-M43 HydrophobicContact CG-SD 3.99Å; L4-S45 WeakPolarHBondContact CD1-OG 3.16Å; L4-I49 HydrophobicContact CB-CD1 4.3Å; L4-I49 HydrophobicContact CD1-CD1 4.29Å; L4-I49 HydrophobicContact CD2-CD1 4.05Å; L4-I49 HydrophobicContact CG-CD1 4.45Å |
| 5 | G | 95.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -8.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G3 P44 | G3-G5 PolarHBondContact O-N 3.01Å; G5-P44 PolarHBondContact N-O 2.86Å |
| 6 | D | 95 | Very high | 94.4 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | trans | -90.4 | -171.3 | -178.1 | -166.1 | 9.2 | 0 | 0 | 0 | 112.1 | H2 G3 L4 W11 P44 | H2-D6 HydrophobicContact CB-CB 4.1Å; H2-D6 PolarHBondContact CE1-O 3.14Å; H2-D6 PolarHBondContact ND1-O 2.82Å; G3-D6 PolarHBondContact O-N 3.14Å; L4-D6 PolarHBondContact O-N 3.01Å; D6-W11 PolarHBondContact OD2-NE1 2.92Å; D6-P44 WeakPolarHBondContact O-CB 3.27Å | ||
| 7 | S | 95.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | trans | -139.3 | 166.1 | 175.3 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | H2 F9 | H2-S7 VanDerWaalsContact CD2-C 3.42Å; S7-F9 PolarHBondContact O-N 2.8Å; S7-F9 VanDerWaalsContact O-N 3.17Å; S7-F9 PolarHBondContact OG-N 3.29Å | ||
| 8 | G | 95.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -13.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H2 I12 C27 H29 | H2-G8 PolarHBondContact CD2-N 3.48Å; G8-I12 WeakPolarHBondContact O-CG2 3.47Å; G8-I12 PolarHBondContact O-N 3.2Å; G8-C27 WeakPolarHBondContact O-CB 3.27Å; G8-H29 PolarHBondContact N-ND1 3.27Å |
| 9 | F | 94 | Very high | 94.3 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 61% | 0.605 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70 | -38.6 | -172.8 | -66.3 | -56.7 | 0 | 0 | 0 | 114 | S7 I12 S13 H29 | S7-F9 PolarHBondContact O-N 2.8Å; S7-F9 VanDerWaalsContact O-N 3.17Å; S7-F9 PolarHBondContact OG-N 3.29Å; F9-I12 VanDerWaalsContact O-CG2 3.28Å; F9-I12 WeakPolarHBondContact O-CG2 3.48Å; F9-S13 PolarHBondContact O-N 2.9Å; F9-S13 PolarHBondContact O-OG 3.43Å; F9-H29 AromaticContact CD2-CE1 3.71Å; F9-H29 AromaticContact CE2-CE1 3.5Å; F9-H29 AromaticContact CZ-CE1 3.68Å; F9-H29 AromaticContact CZ-NE2 3.74Å |
| 10 | G | 90.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S13 M14 | G10-S13 WeakPolarHBondContact O-CB 3.42Å; G10-S13 PolarHBondContact O-N 3.44Å; G10-M14 PolarHBondContact O-N 3.18Å; G10-M14 VanDerWaalsContact O-N 3.1Å |
| 11 | W | 93.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | -178.5 | -68.3 | 91.9 | 0 | 0 | 0 | 113.2 | H2 D6 S13 M14 F15 C27 F92 L116 | H2-W11 VanDerWaalsContact CB-CD1 3.47Å; D6-W11 PolarHBondContact OD2-NE1 2.92Å; W11-S13 VanDerWaalsContact C-N 3.25Å; W11-S13 PolarHBondContact O-N 3.15Å; W11-M14 HydrophobicContact CE3-SD 4.06Å; W11-M14 HydrophobicContact CZ3-CE 4.08Å; W11-M14 HydrophobicContact CZ3-SD 3.8Å; W11-M14 PolarHBondContact O-N 3.17Å; W11-F15 HydrophobicContact CE3-CE2 4.39Å; W11-F15 WeakPolarHBondContact O-CD2 3.34Å; W11-F15 PolarHBondContact O-N 3.03Å; W11-C27 HydrophobicContact CB-CB 4.48Å; W11-F92 HydrophobicContact CH2-CB 3.3Å; W11-F92 HydrophobicContact CH2-CD1 4.38Å; W11-F92 AromaticContact CH2-CD2 3.73Å; W11-F92 HydrophobicContact CH2-CD2 3.73Å; W11-F92 AromaticContact CH2-CG 3.56Å; W11-F92 HydrophobicContact CH2-CG 3.56Å; W11-F92 HydrophobicContact CZ2-CB 3.14Å; W11-F92 AromaticContact CZ2-CD1 3.74Å; W11-F92 HydrophobicContact CZ2-CD1 3.74Å; W11-F92 AromaticContact CZ2-CD2 3.94Å; W11-F92 HydrophobicContact CZ2-CD2 3.94Å; W11-F92 AromaticContact CZ2-CG 3.33Å; W11-F92 HydrophobicContact CZ2-CG 3.33Å; W11-F92 HydrophobicContact CZ3-CB 4.19Å; W11-L116 HydrophobicContact CH2-CD1 4.34Å; W11-L116 HydrophobicContact CZ3-CD1 3.91Å |
| 12 | I | 92.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -34.8 | 177.4 | -167.3 | 61.9 | 0 | 0 | 0 | 111.6 | G8 F9 F15 Q16 C27 | G8-I12 WeakPolarHBondContact O-CG2 3.47Å; G8-I12 PolarHBondContact O-N 3.2Å; F9-I12 VanDerWaalsContact O-CG2 3.28Å; F9-I12 WeakPolarHBondContact O-CG2 3.48Å; I12-F15 PolarHBondContact O-N 2.84Å; I12-Q16 WeakPolarHBondContact O-CG 3.32Å; I12-Q16 PolarHBondContact O-N 2.86Å; I12-C27 HydrophobicContact CB-CB 4.22Å |
| 13 | S | 91.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | F9 G10 W11 Q16 | F9-S13 PolarHBondContact O-N 2.9Å; F9-S13 PolarHBondContact O-OG 3.43Å; G10-S13 WeakPolarHBondContact O-CB 3.42Å; G10-S13 PolarHBondContact O-N 3.44Å; W11-S13 VanDerWaalsContact C-N 3.25Å; W11-S13 PolarHBondContact O-N 3.15Å; S13-Q16 WeakPolarHBondContact O-CB 3.36Å; S13-Q16 PolarHBondContact O-N 3.01Å |
| 14 | M | 90.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 63.6 Ų | 63.6 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 173 | 177.1 | 178 | 159.9 | 0 | 0 | 111.8 | G10 W11 Q16 A17 A181 L186 | G10-M14 PolarHBondContact O-N 3.18Å; G10-M14 VanDerWaalsContact O-N 3.1Å; W11-M14 HydrophobicContact CE3-SD 4.06Å; W11-M14 HydrophobicContact CZ3-CE 4.08Å; W11-M14 HydrophobicContact CZ3-SD 3.8Å; W11-M14 PolarHBondContact O-N 3.17Å; M14-Q16 VanDerWaalsContact C-N 3.27Å; M14-Q16 PolarHBondContact O-N 3.16Å; M14-A17 WeakPolarHBondContact O-CB 3.41Å; M14-A17 PolarHBondContact O-N 2.83Å; M14-A181 HydrophobicContact CE-CB 3.94Å; M14-A181 HydrophobicContact SD-CB 4.12Å; M14-L186 HydrophobicContact CE-CB 4.17Å; M14-L186 HydrophobicContact CE-CD1 3.6Å; M14-L186 HydrophobicContact CE-CG 4.36Å; M14-L186 HydrophobicContact CG-CD1 3.8Å; M14-L186 HydrophobicContact CG-CD2 4.1Å |
| 15 | F | 93 | Very high | 94.2 | Very high | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.4 | -24 | 178.1 | -78.8 | -62.7 | 0 | 0 | 0 | 113.9 | W11 I12 A17 I18 K19 Y25 V189 L193 | W11-F15 HydrophobicContact CE3-CE2 4.39Å; W11-F15 WeakPolarHBondContact O-CD2 3.34Å; W11-F15 PolarHBondContact O-N 3.03Å; I12-F15 PolarHBondContact O-N 2.84Å; F15-A17 PolarHBondContact O-N 3.2Å; F15-I18 HydrophobicContact CD1-CD1 3.91Å; F15-I18 HydrophobicContact CD1-CG1 4.17Å; F15-I18 HydrophobicContact CE1-CD1 4.24Å; F15-I18 CarbonylContact O-C 3.5Å; F15-I18 PolarHBondContact O-N 2.83Å; F15-K19 PolarHBondContact O-N 2.93Å; F15-K19 VanDerWaalsContact O-N 3.17Å; F15-Y25 HydrophobicContact CB-CD1 3.71Å; F15-Y25 HydrophobicContact CB-CE1 4.18Å; F15-Y25 HydrophobicContact CB-CG 4.19Å; F15-Y25 AromaticContact CD1-CD1 3.59Å; F15-Y25 HydrophobicContact CD1-CD1 3.59Å; F15-Y25 AromaticContact CD1-CE1 3.61Å; F15-Y25 HydrophobicContact CD1-CE1 3.61Å; F15-Y25 HydrophobicContact CD2-CD1 4.39Å; F15-Y25 HydrophobicContact CE1-CD1 4.32Å; F15-Y25 HydrophobicContact CE1-CE1 4.31Å; F15-Y25 AromaticContact CG-CD1 3.65Å; F15-Y25 HydrophobicContact CG-CD1 3.65Å; F15-Y25 HydrophobicContact CG-CE1 4.11Å; F15-V189 HydrophobicContact CE1-CG1 3.97Å; F15-L193 HydrophobicContact CE1-CD1 4.37Å |
| 16 | Q | 92.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 65.5 Ų | 65.5 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60 | -30.8 | 173.2 | -78.9 | 173.2 | 3.9 | 0 | 0 | 112.4 | I12 S13 M14 I18 | I12-Q16 WeakPolarHBondContact O-CG 3.32Å; I12-Q16 PolarHBondContact O-N 2.86Å; S13-Q16 WeakPolarHBondContact O-CB 3.36Å; S13-Q16 PolarHBondContact O-N 3.01Å; M14-Q16 VanDerWaalsContact C-N 3.27Å; M14-Q16 PolarHBondContact O-N 3.16Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 3.15Å |
| 17 | A | 92 | Very high | 94.4 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M14 F15 L186 | M14-A17 WeakPolarHBondContact O-CB 3.41Å; M14-A17 PolarHBondContact O-N 2.83Å; F15-A17 PolarHBondContact O-N 3.2Å; A17-L186 HydrophobicContact CB-CD2 4.32Å |
| 18 | I | 94.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 22.9 | -177.3 | 62.4 | 160.6 | 0 | 0 | 0 | 112.5 | F15 Q16 A20 Y25 L186 V189 E190 L193 | F15-I18 HydrophobicContact CD1-CD1 3.91Å; F15-I18 HydrophobicContact CD1-CG1 4.17Å; F15-I18 HydrophobicContact CE1-CD1 4.24Å; F15-I18 CarbonylContact O-C 3.5Å; F15-I18 PolarHBondContact O-N 2.83Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 3.15Å; I18-A20 PolarHBondContact O-N 3.22Å; I18-Y25 PolarHBondContact O-OH 3.4Å; I18-L186 HydrophobicContact CB-CD1 4.47Å; I18-L186 HydrophobicContact CD1-CD1 3.47Å; I18-L186 VanDerWaalsContact CD1-CD1 3.47Å; I18-L186 HydrophobicContact CD1-CG 4.41Å; I18-L186 HydrophobicContact CG1-CD1 3.82Å; I18-L186 HydrophobicContact CG2-CD1 3.85Å; I18-L186 HydrophobicContact CG2-CD2 4.06Å; I18-L186 HydrophobicContact CG2-CG 3.66Å; I18-V189 HydrophobicContact CD1-CB 4.43Å; I18-V189 HydrophobicContact CD1-CG1 3.9Å; I18-E190 HydrophobicContact CB-CB 3.97Å; I18-E190 HydrophobicContact CB-CG 3.98Å; I18-E190 HydrophobicContact CD1-CB 4.12Å; I18-E190 HydrophobicContact CG2-CB 3.9Å; I18-E190 HydrophobicContact CG2-CG 4.16Å; I18-L193 HydrophobicContact CD1-CD1 4.28Å |
| 19 | K | 94.1 | Very high | 94.6 | Very high | 136 Ų | 136 | 67.7 Ų | 67.7 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | trans | -69.1 | 119.4 | -170.4 | -177.2 | -176.5 | 176.9 | -175.9 | 0 | 111.2 | F15 Y25 | F15-K19 PolarHBondContact O-N 2.93Å; F15-K19 VanDerWaalsContact O-N 3.17Å; K19-Y25 HydrophobicContact CB-CE2 4.27Å; K19-Y25 HydrophobicContact CG-CD2 4.15Å; K19-Y25 HydrophobicContact CG-CE2 3.75Å | ||
| 20 | A | 95.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | trans | -79.8 | 140.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I18 H22 V23 Y25 | I18-A20 PolarHBondContact O-N 3.22Å; A20-H22 VanDerWaalsContact C-N 3.26Å; A20-H22 PolarHBondContact O-N 2.61Å; A20-V23 HydrophobicContact CB-CB 4.12Å; A20-V23 HydrophobicContact CB-CG2 3.82Å; A20-V23 PolarHBondContact O-N 3.31Å; A20-Y25 PolarHBondContact N-OH 2.84Å; A20-Y25 VanDerWaalsContact N-OH 3.13Å | ||
| 21 | P | 95.8 | Very high | 95.1 | Very high | 130 Ų | 130 | 62.9 Ų | 62.9 | 84% | 0.844 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.9 | -175.1 | 25.3 | -34.5 | 0 | 0 | 0 | 113.8 | ||
| 22 | H | 96.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 35% | 0.347 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 5.5 | -179.1 | 60.8 | -79.1 | 0 | 0 | 0 | 113.8 | A20 L197 | A20-H22 VanDerWaalsContact C-N 3.26Å; A20-H22 PolarHBondContact O-N 2.61Å; H22-L197 PolarHBondContact NE2-O 3.36Å |
| 23 | V | 97.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | trans | -114.3 | 128.5 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | A20 Y25 L197 | A20-V23 HydrophobicContact CB-CB 4.12Å; A20-V23 HydrophobicContact CB-CG2 3.82Å; A20-V23 PolarHBondContact O-N 3.31Å; V23-Y25 HydrophobicContact CB-CD2 4.49Å; V23-Y25 HydrophobicContact CB-CE2 3.77Å; V23-Y25 HydrophobicContact CG1-CD2 4.13Å; V23-Y25 HydrophobicContact CG1-CE1 4.34Å; V23-Y25 HydrophobicContact CG1-CE2 3.68Å; V23-Y25 WeakPolarHBondContact O-CD2 3.37Å; V23-Y25 WeakPolarHBondContact O-CE2 3.33Å; V23-L197 HydrophobicContact CG1-CD1 4.08Å; V23-L197 HydrophobicContact CG2-CB 4.18Å; V23-L197 HydrophobicContact CG2-CD1 4.14Å | ||
| 24 | K | 96.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 66.3 Ų | 66.3 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | trans | -90.3 | 126.6 | 170.2 | 179.4 | -172.2 | 171.2 | -167.1 | 0 | 108.6 | I26 E77 | K24-I26 HydrophobicContact CD-CD1 4.08Å; K24-I26 HydrophobicContact CD-CG1 4.19Å; K24-I26 VanDerWaalsContact CE-CD1 3.49Å; K24-I26 HydrophobicContact CG-CD1 4.48Å; K24-I26 HydrophobicContact CG-CG1 4.07Å; K24-E77 IonicContact NZ-OE1 3.61Å; K24-E77 PolarHBondContact NZ-OE1 3.31Å; K24-E77 IonicContact NZ-OE2 2.72Å; K24-E77 PolarHBondContact NZ-OE2 3.47Å | ||
| 25 | Y | 97.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -105 | 121.8 | 178.1 | -62.7 | -102.6 | 0 | 0 | 0 | 109.1 | F15 I18 K19 A20 V23 L193 | F15-Y25 HydrophobicContact CB-CD1 3.71Å; F15-Y25 HydrophobicContact CB-CE1 4.18Å; F15-Y25 HydrophobicContact CB-CG 4.19Å; F15-Y25 AromaticContact CD1-CD1 3.59Å; F15-Y25 HydrophobicContact CD1-CD1 3.59Å; F15-Y25 AromaticContact CD1-CE1 3.61Å; F15-Y25 HydrophobicContact CD1-CE1 3.61Å; F15-Y25 HydrophobicContact CD2-CD1 4.39Å; F15-Y25 HydrophobicContact CE1-CD1 4.32Å; F15-Y25 HydrophobicContact CE1-CE1 4.31Å; F15-Y25 AromaticContact CG-CD1 3.65Å; F15-Y25 HydrophobicContact CG-CD1 3.65Å; F15-Y25 HydrophobicContact CG-CE1 4.11Å; I18-Y25 PolarHBondContact O-OH 3.4Å; K19-Y25 HydrophobicContact CB-CE2 4.27Å; K19-Y25 HydrophobicContact CG-CD2 4.15Å; K19-Y25 HydrophobicContact CG-CE2 3.75Å; A20-Y25 PolarHBondContact N-OH 2.84Å; A20-Y25 VanDerWaalsContact N-OH 3.13Å; V23-Y25 HydrophobicContact CB-CD2 4.49Å; V23-Y25 HydrophobicContact CB-CE2 3.77Å; V23-Y25 HydrophobicContact CG1-CD2 4.13Å; V23-Y25 HydrophobicContact CG1-CE1 4.34Å; V23-Y25 HydrophobicContact CG1-CE2 3.68Å; V23-Y25 WeakPolarHBondContact O-CD2 3.37Å; V23-Y25 WeakPolarHBondContact O-CE2 3.33Å; Y25-L193 HydrophobicContact CE1-CD1 3.84Å | ||
| 26 | I | 97.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | trans | -116.4 | 116.5 | -178.1 | -53.1 | 175.2 | 0 | 0 | 0 | 108.6 | K24 P28 E77 | K24-I26 HydrophobicContact CD-CD1 4.08Å; K24-I26 HydrophobicContact CD-CG1 4.19Å; K24-I26 VanDerWaalsContact CE-CD1 3.49Å; K24-I26 HydrophobicContact CG-CD1 4.48Å; K24-I26 HydrophobicContact CG-CG1 4.07Å; I26-P28 WeakPolarHBondContact O-CD 3.49Å; I26-E77 HydrophobicContact CD1-CG 4.16Å; I26-E77 VanDerWaalsContact CD1-OE1 3.3Å; I26-E77 WeakPolarHBondContact CD1-OE1 3.34Å | ||
| 27 | C | 97.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 17% | 0.169 | 36% | 0.362 | C | S | . | . | trans | -116.2 | 87.4 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | G8 W11 I12 | G8-C27 WeakPolarHBondContact O-CB 3.27Å; W11-C27 HydrophobicContact CB-CB 4.48Å; I12-C27 HydrophobicContact CB-CB 4.22Å | ||
| 28 | P | 97.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 16% | 0.156 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -70 | 164.6 | -178.5 | 29.9 | -34.6 | 0 | 0 | 0 | 111.7 | M1 H2 I26 W46 W73 | M1-P28 HydrophobicContact CG-CG 4.17Å; H2-P28 PolarHBondContact CD2-O 3.29Å; H2-P28 VanDerWaalsContact CD2-O 3.29Å; I26-P28 WeakPolarHBondContact O-CD 3.49Å; P28-W46 HydrophobicContact CB-CH2 4.11Å; P28-W46 HydrophobicContact CG-CH2 3.86Å; P28-W46 HydrophobicContact CG-CZ2 4.49Å; P28-W73 HydrophobicContact CB-CH2 3.57Å; P28-W73 HydrophobicContact CB-CZ2 3.95Å; P28-W73 HydrophobicContact CB-CZ3 3.95Å; P28-W73 HydrophobicContact CG-CE3 4.21Å; P28-W73 HydrophobicContact CG-CH2 3.64Å; P28-W73 HydrophobicContact CG-CZ2 4.43Å; P28-W73 HydrophobicContact CG-CZ3 3.51Å |
| 29 | H | 97.5 | Very high | 97 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 133.3 | 173.8 | -57.5 | -76.1 | 0 | 0 | 0 | 110.2 | G8 F9 | G8-H29 PolarHBondContact N-ND1 3.27Å; F9-H29 AromaticContact CD2-CE1 3.71Å; F9-H29 AromaticContact CE2-CE1 3.5Å; F9-H29 AromaticContact CZ-CE1 3.68Å; F9-H29 AromaticContact CZ-NE2 3.74Å |
| 30 | A | 98 | Very high | 97.2 | Very high | 12 Ų | 12 | 61.8 Ų | 61.8 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 149.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | H2 P44 W46 | H2-A30 VanDerWaalsContact CE1-CB 3.49Å; H2-A30 WeakPolarHBondContact CE1-CB 3.29Å; H2-A30 PolarHBondContact NE2-N 3.34Å; A30-P44 HydrophobicContact CB-CB 4.38Å; A30-W46 HydrophobicContact CB-CD2 3.69Å; A30-W46 HydrophobicContact CB-CE3 3.82Å; A30-W46 HydrophobicContact CB-CG 4.23Å; A30-W46 HydrophobicContact CB-CH2 3.99Å; A30-W46 HydrophobicContact CB-CZ2 3.89Å; A30-W46 HydrophobicContact CB-CZ3 3.94Å |
| 31 | P | 97.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 160.5 | 169.1 | 30.7 | -35.3 | 0 | 0 | 0 | 111.2 | L33 P44 S45 | P31-L33 HydrophobicContact CG-CD1 4.22Å; P31-L33 HydrophobicContact CG-CD2 4.45Å; P31-L33 HydrophobicContact CG-CG 4.19Å; P31-P44 WeakPolarHBondContact O-CA 3.45Å; P31-S45 PolarHBondContact O-N 2.7Å |
| 32 | S | 97.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 66 Ų | 66 | 58% | 0.58 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 117.4 | 171.3 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | M43 | S32-M43 WeakPolarHBondContact CA-O 3.49Å |
| 33 | L | 97.2 | Very high | 97.4 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.3 | -178.3 | -58.4 | 176.8 | 0 | 0 | 0 | 110.1 | P31 I42 M43 S45 | P31-L33 HydrophobicContact CG-CD1 4.22Å; P31-L33 HydrophobicContact CG-CD2 4.45Å; P31-L33 HydrophobicContact CG-CG 4.19Å; L33-I42 WeakPolarHBondContact O-CA 3.25Å; L33-M43 PolarHBondContact N-O 3.21Å; L33-M43 PolarHBondContact O-N 2.84Å; L33-S45 WeakPolarHBondContact CD1-O 3.5Å |
| 34 | P | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 64.5 Ų | 64.5 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.7 | 166.1 | 29.1 | -33.3 | 0 | 0 | 0 | 110 | I42 | P34-I42 HydrophobicContact CB-CG1 4.38Å |
| 35 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116.2 | -175.7 | -176.4 | 0 | 0 | 0 | 0 | 111 | L4 I37 N38 G40 M41 M43 D48 I49 | L4-V35 HydrophobicContact CD1-CG1 4.06Å; L4-V35 HydrophobicContact CD1-CG2 3.94Å; L4-V35 HydrophobicContact CD2-CG1 4.33Å; V35-I37 HydrophobicContact CG1-CG2 3.97Å; V35-I37 PolarHBondContact O-N 2.85Å; V35-N38 CarbonylContact O-C 3.58Å; V35-N38 PolarHBondContact O-N 2.88Å; V35-N38 VanDerWaalsContact O-N 3.13Å; V35-G40 WeakPolarHBondContact O-CA 3.41Å; V35-G40 PolarHBondContact O-N 3.47Å; V35-M41 PolarHBondContact N-O 3.04Å; V35-M43 HydrophobicContact CB-CG 4.44Å; V35-M43 HydrophobicContact CG2-CG 3.74Å; V35-M43 HydrophobicContact CG2-SD 4.42Å; V35-D48 WeakPolarHBondContact CA-OD1 3.43Å; V35-I49 HydrophobicContact CG1-CB 4.31Å |
| 36 | T | 98.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 57 Ų | 57 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -60.7 | -46.7 | -170.8 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | N38 G39 D48 L50 | T36-N38 PolarHBondContact O-N 2.84Å; T36-N38 VanDerWaalsContact O-N 3.09Å; T36-G39 PolarHBondContact O-N 2.8Å; T36-D48 WeakPolarHBondContact CB-OD2 3.42Å; T36-D48 PolarHBondContact N-OD1 3.4Å; T36-D48 PolarHBondContact OG1-OD1 2.81Å; T36-D48 PolarHBondContact OG1-OD2 3.01Å; T36-L50 HydrophobicContact CG2-CD2 3.94Å |
| 37 | I | 96 | Very high | 97.7 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 36% | 0.359 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -60.7 | -23.8 | 179.5 | -161.2 | 169.2 | 0 | 0 | 0 | 113 | V35 I49 L52 | V35-I37 HydrophobicContact CG1-CG2 3.97Å; V35-I37 PolarHBondContact O-N 2.85Å; I37-I49 HydrophobicContact CB-CG2 4.2Å; I37-I49 WeakPolarHBondContact CB-O 3.26Å; I37-I49 HydrophobicContact CD1-CG2 4.19Å; I37-I49 HydrophobicContact CG2-CB 4.01Å; I37-I49 HydrophobicContact CG2-CG2 3.82Å; I37-I49 PolarHBondContact N-O 3.21Å; I37-L52 HydrophobicContact CD1-CD1 3.86Å; I37-L52 HydrophobicContact CD1-CG 3.7Å |
| 38 | N | 96.8 | Very high | 97.8 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -99.6 | 26.9 | 177 | -70.5 | -24.9 | 0 | 0 | 0 | 112.6 | V35 T36 G40 M41 M43 | V35-N38 CarbonylContact O-C 3.58Å; V35-N38 PolarHBondContact O-N 2.88Å; V35-N38 VanDerWaalsContact O-N 3.13Å; T36-N38 PolarHBondContact O-N 2.84Å; T36-N38 VanDerWaalsContact O-N 3.09Å; N38-G40 VanDerWaalsContact C-N 3.3Å; N38-G40 PolarHBondContact O-N 3.06Å; N38-M41 HydrophobicContact CB-CB 4.34Å; N38-M41 WeakPolarHBondContact O-CB 3.48Å; N38-M41 PolarHBondContact O-N 3.35Å; N38-M43 HydrophobicContact CB-CE 3.71Å; N38-M43 VanDerWaalsContact ND2-CE 3.28Å; N38-M43 WeakPolarHBondContact ND2-CE 3.4Å; N38-M43 PolarHBondContact ND2-SD 3.15Å |
| 39 | G | 97 | Very high | 97.7 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 79% | 0.794 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 27.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | T36 M41 | T36-G39 PolarHBondContact O-N 2.8Å; G39-M41 VanDerWaalsContact C-N 3.34Å |
| 40 | G | 97.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 51 Ų | 51 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 10.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V35 N38 I42 | V35-G40 WeakPolarHBondContact O-CA 3.41Å; V35-G40 PolarHBondContact O-N 3.47Å; N38-G40 VanDerWaalsContact C-N 3.3Å; N38-G40 PolarHBondContact O-N 3.06Å; G40-I42 PolarHBondContact O-N 2.75Å |
| 41 | M | 97.4 | Very high | 97.6 | Very high | 122 Ų | 122 | 51.4 Ų | 51.4 | 60% | 0.601 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 136 | 175.5 | -175.7 | -177.6 | -59.9 | 0 | 0 | 111 | V35 N38 G39 M43 | V35-M41 PolarHBondContact N-O 3.04Å; N38-M41 HydrophobicContact CB-CB 4.34Å; N38-M41 WeakPolarHBondContact O-CB 3.48Å; N38-M41 PolarHBondContact O-N 3.35Å; G39-M41 VanDerWaalsContact C-N 3.34Å; M41-M43 HydrophobicContact CB-CE 3.67Å; M41-M43 HydrophobicContact CG-CE 3.61Å; M41-M43 HydrophobicContact SD-CE 3.52Å; M41-M43 VanDerWaalsContact SD-CE 3.52Å |
| 42 | I | 98.1 | Very high | 97.2 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121 | 178 | -61 | 175.7 | 0 | 0 | 0 | 109.6 | L33 P34 G40 | L33-I42 WeakPolarHBondContact O-CA 3.25Å; P34-I42 HydrophobicContact CB-CG1 4.38Å; G40-I42 PolarHBondContact O-N 2.75Å |
| 43 | M | 98.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 165.3 | 178.5 | 63.2 | -172.8 | 72.1 | 0 | 0 | 111.4 | L4 S32 L33 V35 N38 M41 S45 | L4-M43 HydrophobicContact CD1-CG 4.1Å; L4-M43 HydrophobicContact CD1-SD 3.97Å; L4-M43 HydrophobicContact CD2-SD 4.26Å; L4-M43 HydrophobicContact CG-SD 3.99Å; S32-M43 WeakPolarHBondContact CA-O 3.49Å; L33-M43 PolarHBondContact N-O 3.21Å; L33-M43 PolarHBondContact O-N 2.84Å; V35-M43 HydrophobicContact CB-CG 4.44Å; V35-M43 HydrophobicContact CG2-CG 3.74Å; V35-M43 HydrophobicContact CG2-SD 4.42Å; N38-M43 HydrophobicContact CB-CE 3.71Å; N38-M43 VanDerWaalsContact ND2-CE 3.28Å; N38-M43 WeakPolarHBondContact ND2-CE 3.4Å; N38-M43 PolarHBondContact ND2-SD 3.15Å; M41-M43 HydrophobicContact CB-CE 3.67Å; M41-M43 HydrophobicContact CG-CE 3.61Å; M41-M43 HydrophobicContact SD-CE 3.52Å; M41-M43 VanDerWaalsContact SD-CE 3.52Å; M43-S45 PolarHBondContact O-N 2.7Å; M43-S45 VanDerWaalsContact O-N 3.15Å |
| 44 | P | 98.4 | Very high | 96.4 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 118.3 | 174.1 | -27.4 | 35.7 | 0 | 0 | 0 | 111.7 | G5 D6 A30 P31 | G5-P44 PolarHBondContact N-O 2.86Å; D6-P44 WeakPolarHBondContact O-CB 3.27Å; A30-P44 HydrophobicContact CB-CB 4.38Å; P31-P44 WeakPolarHBondContact O-CA 3.45Å |
| 45 | S | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -154.2 | 143.8 | 180 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | L4 P31 L33 M43 F47 Q94 | L4-S45 WeakPolarHBondContact CD1-OG 3.16Å; P31-S45 PolarHBondContact O-N 2.7Å; L33-S45 WeakPolarHBondContact CD1-O 3.5Å; M43-S45 PolarHBondContact O-N 2.7Å; M43-S45 VanDerWaalsContact O-N 3.15Å; S45-F47 PolarHBondContact OG-O 3.38Å; S45-Q94 PolarHBondContact OG-NE2 2.86Å; S45-Q94 PolarHBondContact OG-OE1 3.3Å | ||
| 46 | W | 98.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -79.6 | -33.4 | -179.3 | -61.5 | 107 | 0 | 0 | 0 | 113 | M1 H2 P28 A30 A66 W73 Q94 L98 | M1-W46 HydrophobicContact CB-CZ2 3.87Å; M1-W46 HydrophobicContact CG-CH2 4.4Å; M1-W46 HydrophobicContact CG-CZ2 4.04Å; H2-W46 AromaticContact CD2-CZ2 3.79Å; H2-W46 AromaticContact NE2-CZ2 3.75Å; H2-W46 PolarHBondContact O-NE1 3.14Å; P28-W46 HydrophobicContact CB-CH2 4.11Å; P28-W46 HydrophobicContact CG-CH2 3.86Å; P28-W46 HydrophobicContact CG-CZ2 4.49Å; A30-W46 HydrophobicContact CB-CD2 3.69Å; A30-W46 HydrophobicContact CB-CE3 3.82Å; A30-W46 HydrophobicContact CB-CG 4.23Å; A30-W46 HydrophobicContact CB-CH2 3.99Å; A30-W46 HydrophobicContact CB-CZ2 3.89Å; A30-W46 HydrophobicContact CB-CZ3 3.94Å; W46-A66 WeakPolarHBondContact O-CB 3.25Å; W46-W73 HydrophobicContact CH2-CH2 4.09Å; W46-W73 AromaticContact CZ3-CH2 3.75Å; W46-W73 HydrophobicContact CZ3-CH2 3.75Å; W46-W73 HydrophobicContact CZ3-CZ3 4.4Å; W46-Q94 HydrophobicContact CB-CG 4.39Å; W46-L98 HydrophobicContact CB-CD2 3.81Å; W46-L98 HydrophobicContact CD2-CD2 3.91Å; W46-L98 HydrophobicContact CE3-CD2 4.05Å; W46-L98 HydrophobicContact CG-CD2 3.82Å |
| 47 | F | 98.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -158.3 | 166.6 | -179.7 | 51.7 | -97.5 | 0 | 0 | 0 | 108.6 | S45 I49 I63 Q94 A97 L98 W119 | S45-F47 PolarHBondContact OG-O 3.38Å; F47-I49 HydrophobicContact CE2-CG1 4.42Å; F47-I63 HydrophobicContact CB-CG1 4.09Å; F47-I63 HydrophobicContact CD1-CG1 3.8Å; F47-I63 HydrophobicContact CD2-CD1 4.18Å; F47-I63 HydrophobicContact CD2-CG1 3.57Å; F47-I63 HydrophobicContact CE1-CG1 4.04Å; F47-I63 HydrophobicContact CE2-CD1 4.17Å; F47-I63 HydrophobicContact CE2-CG1 3.83Å; F47-I63 HydrophobicContact CG-CG1 3.56Å; F47-I63 HydrophobicContact CZ-CG1 4.05Å; F47-Q94 HydrophobicContact CD1-CG 4.22Å; F47-Q94 HydrophobicContact CE1-CG 3.6Å; F47-Q94 HydrophobicContact CE2-CG 3.95Å; F47-Q94 HydrophobicContact CZ-CG 3.45Å; F47-Q94 VanDerWaalsContact CZ-CG 3.45Å; F47-Q94 PolarHBondContact O-NE2 3.47Å; F47-A97 HydrophobicContact CZ-CB 4.4Å; F47-L98 HydrophobicContact CE1-CB 4.14Å; F47-W119 HydrophobicContact CE2-CZ2 4.25Å; F47-W119 HydrophobicContact CZ-CZ2 4.22Å |
| 48 | D | 98.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | trans | -72.3 | 143.5 | 179.6 | -167.1 | 13.2 | 0 | 0 | 0 | 112 | V35 T36 L50 D59 | V35-D48 WeakPolarHBondContact CA-OD1 3.43Å; T36-D48 WeakPolarHBondContact CB-OD2 3.42Å; T36-D48 PolarHBondContact N-OD1 3.4Å; T36-D48 PolarHBondContact OG1-OD1 2.81Å; T36-D48 PolarHBondContact OG1-OD2 3.01Å; D48-L50 HydrophobicContact CB-CD2 4.43Å; D48-L50 VanDerWaalsContact OD2-CD2 3.28Å; D48-L50 WeakPolarHBondContact OD2-CD2 3.46Å; D48-D59 HydrophobicContact CB-CB 3.92Å; D48-D59 WeakPolarHBondContact CB-OD2 3.48Å; D48-D59 PolarHBondContact N-OD2 3.05Å; D48-D59 WeakPolarHBondContact O-CB 3.5Å | ||
| 49 | I | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | trans | -110 | 114.6 | 176.5 | -63.3 | 172.8 | 0 | 0 | 0 | 108.1 | L4 V35 I37 F47 L52 Q94 | L4-I49 HydrophobicContact CB-CD1 4.3Å; L4-I49 HydrophobicContact CD1-CD1 4.29Å; L4-I49 HydrophobicContact CD2-CD1 4.05Å; L4-I49 HydrophobicContact CG-CD1 4.45Å; V35-I49 HydrophobicContact CG1-CB 4.31Å; I37-I49 HydrophobicContact CB-CG2 4.2Å; I37-I49 WeakPolarHBondContact CB-O 3.26Å; I37-I49 HydrophobicContact CD1-CG2 4.19Å; I37-I49 HydrophobicContact CG2-CB 4.01Å; I37-I49 HydrophobicContact CG2-CG2 3.82Å; I37-I49 PolarHBondContact N-O 3.21Å; F47-I49 HydrophobicContact CE2-CG1 4.42Å; I49-L52 HydrophobicContact CG2-CD2 4.04Å; I49-Q94 HydrophobicContact CD1-CB 4.29Å; I49-Q94 HydrophobicContact CD1-CG 4.19Å | ||
| 50 | L | 97.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | trans | -97.4 | -18.3 | -179 | -43.4 | 178.6 | 0 | 0 | 0 | 112.4 | T36 D48 P57 | T36-L50 HydrophobicContact CG2-CD2 3.94Å; D48-L50 HydrophobicContact CB-CD2 4.43Å; D48-L50 VanDerWaalsContact OD2-CD2 3.28Å; D48-L50 WeakPolarHBondContact OD2-CD2 3.46Å; L50-P57 WeakPolarHBondContact CB-O 3.41Å; L50-P57 HydrophobicContact CD1-CB 3.94Å | ||
| 51 | G | 94.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | trans | -177.3 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | L | 90.4 | Very high | 96 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -120.9 | 8.6 | -175.5 | -65.5 | 173.5 | 0 | 0 | 0 | 113.6 | I37 I49 | I37-L52 HydrophobicContact CD1-CD1 3.86Å; I37-L52 HydrophobicContact CD1-CG 3.7Å; I49-L52 HydrophobicContact CG2-CD2 4.04Å |
| 53 | S | 90.5 | Very high | 96 | Very high | 67 Ų | 67 | 46.3 Ų | 46.3 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -90.9 | 156.6 | 173.4 | 79.2 | 0 | 0 | 0 | 0 | 110.5 | N55 S56 | S53-N55 PolarHBondContact O-N 3.43Å; S53-N55 VanDerWaalsContact O-N 3.08Å; S53-N55 PolarHBondContact OG-N 3.1Å; S53-S56 PolarHBondContact N-OG 3.33Å; S53-S56 VanDerWaalsContact N-OG 3.17Å; S53-S56 WeakPolarHBondContact O-CB 3.39Å; S53-S56 PolarHBondContact O-N 3.07Å; S53-S56 PolarHBondContact O-OG 2.81Å; S53-S56 PolarHBondContact OG-N 3.13Å; S53-S56 VanDerWaalsContact OG-N 3.13Å; S53-S56 PolarHBondContact OG-OG 3.09Å |
| 54 | V | 86.4 | Confident | 96 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.4 | 176 | -179 | 0 | 0 | 0 | 0 | 112.3 | V154 T157 M161 | V54-V154 HydrophobicContact CG2-CB 4.28Å; V54-V154 HydrophobicContact CG2-CG1 4.29Å; V54-V154 HydrophobicContact CG2-CG2 3.97Å; V54-T157 HydrophobicContact CG1-CG2 3.96Å; V54-T157 HydrophobicContact CG2-CG2 4.02Å; V54-M161 HydrophobicContact CG1-CE 4.42Å |
| 55 | N | 89.3 | Confident | 96 | Very high | 148 Ų | 148 | 50.1 Ų | 50.1 | 79% | 0.791 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 8.8 | -177.3 | -59.1 | -49 | 0 | 0 | 0 | 113.4 | S53 | S53-N55 PolarHBondContact O-N 3.43Å; S53-N55 VanDerWaalsContact O-N 3.08Å; S53-N55 PolarHBondContact OG-N 3.1Å |
| 56 | S | 93.4 | Very high | 96 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -67.2 | 143.6 | 175.9 | -72 | 0 | 0 | 0 | 0 | 109.7 | S53 | S53-S56 PolarHBondContact N-OG 3.33Å; S53-S56 VanDerWaalsContact N-OG 3.17Å; S53-S56 WeakPolarHBondContact O-CB 3.39Å; S53-S56 PolarHBondContact O-N 3.07Å; S53-S56 PolarHBondContact O-OG 2.81Å; S53-S56 PolarHBondContact OG-N 3.13Å; S53-S56 VanDerWaalsContact OG-N 3.13Å; S53-S56 PolarHBondContact OG-OG 3.09Å |
| 57 | P | 96.4 | Very high | 96.1 | Very high | 95 Ų | 95 | 49.7 Ų | 49.7 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | trans | -53.9 | 146.4 | 166.7 | -24.3 | 34.5 | 0 | 0 | 0 | 110.5 | L50 | L50-P57 WeakPolarHBondContact CB-O 3.41Å; L50-P57 HydrophobicContact CD1-CB 3.94Å | ||
| 58 | E | 98 | Very high | 96.1 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | trans | -122.6 | 151.6 | 178.9 | -65.6 | -173.7 | 107.7 | 0 | 0 | 110.6 | E60 I63 W119 P121 L122 | E58-E60 PolarHBondContact O-N 2.94Å; E58-I63 HydrophobicContact CB-CD1 3.96Å; E58-W119 PolarHBondContact OE1-NE1 3.37Å; E58-P121 VanDerWaalsContact OE1-CA 3.24Å; E58-P121 WeakPolarHBondContact OE1-CA 3.28Å; E58-P121 WeakPolarHBondContact OE1-CB 3.39Å; E58-L122 HydrophobicContact CB-CD2 4.15Å; E58-L122 WeakPolarHBondContact OE2-CA 3.47Å; E58-L122 PolarHBondContact OE2-N 2.84Å | ||
| 59 | D | 98.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | trans | -76 | 74.3 | 173 | 178.6 | 15.4 | 0 | 0 | 0 | 110.5 | D48 N61 G62 I63 | D48-D59 HydrophobicContact CB-CB 3.92Å; D48-D59 WeakPolarHBondContact CB-OD2 3.48Å; D48-D59 PolarHBondContact N-OD2 3.05Å; D48-D59 WeakPolarHBondContact O-CB 3.5Å; D59-N61 PolarHBondContact O-N 3.17Å; D59-G62 PolarHBondContact O-N 3.05Å; D59-G62 VanDerWaalsContact O-N 3.11Å; D59-G62 PolarHBondContact OD1-N 3.37Å; D59-G62 VanDerWaalsContact OD2-CA 3.28Å; D59-G62 WeakPolarHBondContact OD2-CA 3.36Å; D59-I63 WeakPolarHBondContact O-CD1 3.24Å; D59-I63 VanDerWaalsContact O-CG1 3.31Å; D59-I63 WeakPolarHBondContact O-CG1 3.29Å; D59-I63 PolarHBondContact O-N 3.19Å | ||
| 60 | E | 98.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 57 Ų | 57 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.1 | -44.8 | -176.7 | -173.5 | -166.4 | 145.6 | 0 | 0 | 112 | E58 K64 L122 | E58-E60 PolarHBondContact O-N 2.94Å; E60-K64 HydrophobicContact CG-CD 4.11Å; E60-K64 WeakPolarHBondContact O-CB 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.16Å; E60-K64 PolarHBondContact O-N 3.3Å; E60-K64 IonicContact OE1-NZ 3.6Å; E60-K64 PolarHBondContact OE1-NZ 3.22Å; E60-L122 HydrophobicContact CB-CD1 4.33Å; E60-L122 HydrophobicContact CB-CD2 3.92Å; E60-L122 HydrophobicContact CG-CD1 3.73Å; E60-L122 HydrophobicContact CG-CD2 3.9Å; E60-L122 HydrophobicContact CG-CG 4.48Å |
| 61 | N | 98.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66 | -47 | 179.3 | 179 | 62.7 | 0 | 0 | 0 | 111.1 | D59 I63 K64 Q65 | D59-N61 PolarHBondContact O-N 3.17Å; N61-I63 PolarHBondContact O-N 3.4Å; N61-K64 PolarHBondContact O-N 3.12Å; N61-Q65 VanDerWaalsContact O-CG 3.24Å; N61-Q65 WeakPolarHBondContact O-CG 3.39Å; N61-Q65 PolarHBondContact O-N 3.32Å |
| 62 | G | 98.5 | Very high | 96.4 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D59 K64 Q65 A66 | D59-G62 PolarHBondContact O-N 3.05Å; D59-G62 VanDerWaalsContact O-N 3.11Å; D59-G62 PolarHBondContact OD1-N 3.37Å; D59-G62 VanDerWaalsContact OD2-CA 3.28Å; D59-G62 WeakPolarHBondContact OD2-CA 3.36Å; G62-K64 PolarHBondContact O-N 2.89Å; G62-Q65 PolarHBondContact O-N 3.15Å; G62-A66 VanDerWaalsContact O-CB 3.3Å; G62-A66 WeakPolarHBondContact O-CB 3.38Å; G62-A66 PolarHBondContact O-N 3.17Å |
| 63 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 176 | -67.5 | 157.6 | 0 | 0 | 0 | 110.2 | F47 E58 D59 N61 Q65 A66 S67 Y101 P121 L122 | F47-I63 HydrophobicContact CB-CG1 4.09Å; F47-I63 HydrophobicContact CD1-CG1 3.8Å; F47-I63 HydrophobicContact CD2-CD1 4.18Å; F47-I63 HydrophobicContact CD2-CG1 3.57Å; F47-I63 HydrophobicContact CE1-CG1 4.04Å; F47-I63 HydrophobicContact CE2-CD1 4.17Å; F47-I63 HydrophobicContact CE2-CG1 3.83Å; F47-I63 HydrophobicContact CG-CG1 3.56Å; F47-I63 HydrophobicContact CZ-CG1 4.05Å; E58-I63 HydrophobicContact CB-CD1 3.96Å; D59-I63 WeakPolarHBondContact O-CD1 3.24Å; D59-I63 VanDerWaalsContact O-CG1 3.31Å; D59-I63 WeakPolarHBondContact O-CG1 3.29Å; D59-I63 PolarHBondContact O-N 3.19Å; N61-I63 PolarHBondContact O-N 3.4Å; I63-Q65 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 2.85Å; I63-S67 WeakPolarHBondContact O-CB 3.43Å; I63-S67 PolarHBondContact O-N 2.92Å; I63-Y101 HydrophobicContact CG2-CD1 3.77Å; I63-Y101 HydrophobicContact CG2-CD2 4.09Å; I63-Y101 HydrophobicContact CG2-CE1 4.05Å; I63-Y101 HydrophobicContact CG2-CE2 4.37Å; I63-Y101 HydrophobicContact CG2-CG 3.8Å; I63-P121 HydrophobicContact CD1-CB 3.97Å; I63-P121 HydrophobicContact CG2-CG 4.37Å; I63-L122 HydrophobicContact CB-CD1 4.22Å; I63-L122 HydrophobicContact CD1-CD1 4.36Å; I63-L122 HydrophobicContact CD1-CD2 4.33Å; I63-L122 HydrophobicContact CD1-CG 4.08Å; I63-L122 HydrophobicContact CG2-CD1 3.94Å; I63-L122 HydrophobicContact CG2-CG 4.48Å |
| 64 | K | 98.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 57 Ų | 57 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.3 | -76 | 176.9 | -177.7 | 176.5 | 0 | 112.7 | E60 N61 G62 K68 Y101 E125 | E60-K64 HydrophobicContact CG-CD 4.11Å; E60-K64 WeakPolarHBondContact O-CB 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.16Å; E60-K64 PolarHBondContact O-N 3.3Å; E60-K64 IonicContact OE1-NZ 3.6Å; E60-K64 PolarHBondContact OE1-NZ 3.22Å; N61-K64 PolarHBondContact O-N 3.12Å; G62-K64 PolarHBondContact O-N 2.89Å; K64-K68 WeakPolarHBondContact O-CG 3.32Å; K64-K68 PolarHBondContact O-N 2.86Å; K64-Y101 WeakPolarHBondContact CE-OH 3.29Å; K64-Y101 HydrophobicContact CG-CE1 4.31Å; K64-Y101 VanDerWaalsContact CG-OH 3.27Å; K64-Y101 WeakPolarHBondContact CG-OH 3.42Å; K64-E125 WeakPolarHBondContact CE-OE1 3.48Å; K64-E125 IonicContact NZ-OE1 3.25Å; K64-E125 PolarHBondContact NZ-OE1 3.21Å; K64-E125 IonicContact NZ-OE2 3.74Å |
| 65 | Q | 98.5 | Very high | 97.7 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 176.4 | -66.8 | -60.2 | -26.4 | 0 | 0 | 111.8 | N61 G62 I63 S67 K68 I69 | N61-Q65 VanDerWaalsContact O-CG 3.24Å; N61-Q65 WeakPolarHBondContact O-CG 3.39Å; N61-Q65 PolarHBondContact O-N 3.32Å; G62-Q65 PolarHBondContact O-N 3.15Å; I63-Q65 PolarHBondContact O-N 2.87Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.09Å; Q65-K68 WeakPolarHBondContact O-CB 3.49Å; Q65-K68 PolarHBondContact O-N 2.96Å; Q65-I69 PolarHBondContact O-N 3.31Å |
| 66 | A | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W46 G62 I63 K68 I69 V70 L98 | W46-A66 WeakPolarHBondContact O-CB 3.25Å; G62-A66 VanDerWaalsContact O-CB 3.3Å; G62-A66 WeakPolarHBondContact O-CB 3.38Å; G62-A66 PolarHBondContact O-N 3.17Å; I63-A66 PolarHBondContact O-N 2.85Å; A66-K68 VanDerWaalsContact C-N 3.32Å; A66-K68 PolarHBondContact O-N 3.38Å; A66-I69 WeakPolarHBondContact O-CB 3.43Å; A66-I69 PolarHBondContact O-N 2.92Å; A66-I69 VanDerWaalsContact O-N 3.11Å; A66-V70 WeakPolarHBondContact O-CG2 3.21Å; A66-V70 PolarHBondContact O-N 3.42Å; A66-L98 HydrophobicContact CB-CD1 3.74Å; A66-L98 HydrophobicContact CB-CD2 3.85Å; A66-L98 HydrophobicContact CB-CG 4.49Å |
| 67 | S | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | I63 Q65 I69 V70 H71 S102 T105 | I63-S67 WeakPolarHBondContact O-CB 3.43Å; I63-S67 PolarHBondContact O-N 2.92Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.09Å; S67-I69 VanDerWaalsContact C-N 3.3Å; S67-I69 PolarHBondContact O-N 2.79Å; S67-V70 PolarHBondContact O-N 3.32Å; S67-H71 PolarHBondContact O-CD2 3.34Å; S67-H71 VanDerWaalsContact O-CD2 3.3Å; S67-H71 PolarHBondContact O-N 3.49Å; S67-H71 PolarHBondContact OG-CE1 2.94Å; S67-H71 PolarHBondContact OG-NE2 3.37Å; S67-S102 WeakPolarHBondContact CA-OG 3.29Å; S67-S102 WeakPolarHBondContact OG-CA 3.41Å; S67-S102 PolarHBondContact OG-OG 3.42Å; S67-T105 PolarHBondContact OG-OG1 3.26Å |
| 68 | K | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 52.7 Ų | 52.7 | 48% | 0.478 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.7 | -71.4 | 170 | -175.6 | 173.2 | 0 | 112.1 | K64 Q65 A66 V70 H71 N72 | K64-K68 WeakPolarHBondContact O-CG 3.32Å; K64-K68 PolarHBondContact O-N 2.86Å; Q65-K68 WeakPolarHBondContact O-CB 3.49Å; Q65-K68 PolarHBondContact O-N 2.96Å; A66-K68 VanDerWaalsContact C-N 3.32Å; A66-K68 PolarHBondContact O-N 3.38Å; K68-V70 VanDerWaalsContact C-N 3.34Å; K68-H71 PolarHBondContact O-N 3.27Å; K68-N72 VanDerWaalsContact O-CG 3.24Å; K68-N72 PolarHBondContact O-N 2.89Å; K68-N72 PolarHBondContact O-ND2 3.48Å; K68-N72 PolarHBondContact O-OD1 2.75Å |
| 69 | I | 98.5 | Very high | 98.5 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.2 | -63.4 | 169.1 | 0 | 0 | 0 | 110 | Q65 A66 S67 N72 W73 | Q65-I69 PolarHBondContact O-N 3.31Å; A66-I69 WeakPolarHBondContact O-CB 3.43Å; A66-I69 PolarHBondContact O-N 2.92Å; A66-I69 VanDerWaalsContact O-N 3.11Å; S67-I69 VanDerWaalsContact C-N 3.3Å; S67-I69 PolarHBondContact O-N 2.79Å; I69-N72 WeakPolarHBondContact O-CB 3.36Å; I69-N72 PolarHBondContact O-N 2.95Å; I69-W73 HydrophobicContact CG2-CD2 4.35Å; I69-W73 HydrophobicContact CG2-CH2 3.93Å; I69-W73 HydrophobicContact CG2-CZ2 3.44Å; I69-W73 VanDerWaalsContact CG2-CZ2 3.44Å; I69-W73 PolarHBondContact O-N 3.37Å; I69-W73 VanDerWaalsContact O-N 3.15Å |
| 70 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | M1 A66 S67 K68 N72 W73 I74 L89 L98 | M1-V70 HydrophobicContact CE-CG2 4.19Å; M1-V70 HydrophobicContact SD-CG2 3.53Å; M1-V70 VanDerWaalsContact SD-CG2 3.53Å; A66-V70 WeakPolarHBondContact O-CG2 3.21Å; A66-V70 PolarHBondContact O-N 3.42Å; S67-V70 PolarHBondContact O-N 3.32Å; K68-V70 VanDerWaalsContact C-N 3.34Å; V70-N72 VanDerWaalsContact C-N 3.29Å; V70-N72 PolarHBondContact O-N 3.15Å; V70-W73 HydrophobicContact CB-CE3 4.31Å; V70-W73 HydrophobicContact CG2-CE3 4.04Å; V70-W73 HydrophobicContact CG2-CZ3 3.82Å; V70-W73 WeakPolarHBondContact O-CB 3.43Å; V70-W73 PolarHBondContact O-N 3.45Å; V70-W73 VanDerWaalsContact O-N 3.14Å; V70-I74 HydrophobicContact CG1-CD1 4.16Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.43Å; V70-L89 HydrophobicContact CG1-CD1 3.81Å; V70-L89 HydrophobicContact CG1-CD2 3.69Å; V70-L89 HydrophobicContact CG1-CG 4.43Å; V70-L98 HydrophobicContact CG2-CD2 3.9Å; V70-L98 HydrophobicContact CG2-CG 4.11Å |
| 71 | H | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 61 Ų | 61 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 175.8 | -65.7 | 173.7 | 0 | 0 | 0 | 111.8 | S67 K68 W73 I74 D75 S102 T105 Y106 | S67-H71 PolarHBondContact O-CD2 3.34Å; S67-H71 VanDerWaalsContact O-CD2 3.3Å; S67-H71 PolarHBondContact O-N 3.49Å; S67-H71 PolarHBondContact OG-CE1 2.94Å; S67-H71 PolarHBondContact OG-NE2 3.37Å; K68-H71 PolarHBondContact O-N 3.27Å; H71-W73 VanDerWaalsContact C-N 3.35Å; H71-W73 PolarHBondContact O-N 3.26Å; H71-I74 PolarHBondContact O-N 3.05Å; H71-D75 WeakPolarHBondContact O-CB 3.39Å; H71-D75 PolarHBondContact O-N 3.05Å; H71-S102 PolarHBondContact NE2-O 3.01Å; H71-T105 PolarHBondContact CE1-O 3.24Å; H71-T105 PolarHBondContact CE1-OG1 3.41Å; H71-T105 PolarHBondContact NE2-OG1 3.05Å; H71-Y106 HydrophobicContact CB-CD2 4.02Å; H71-Y106 HydrophobicContact CB-CE2 4.22Å; H71-Y106 AromaticContact CD2-CD2 3.53Å; H71-Y106 AromaticContact CG-CD2 3.75Å |
| 72 | N | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 174.9 | -67.3 | -19.7 | 0 | 0 | 0 | 111.8 | K68 I69 V70 I74 D75 D76 | K68-N72 VanDerWaalsContact O-CG 3.24Å; K68-N72 PolarHBondContact O-N 2.89Å; K68-N72 PolarHBondContact O-ND2 3.48Å; K68-N72 PolarHBondContact O-OD1 2.75Å; I69-N72 WeakPolarHBondContact O-CB 3.36Å; I69-N72 PolarHBondContact O-N 2.95Å; V70-N72 VanDerWaalsContact C-N 3.29Å; V70-N72 PolarHBondContact O-N 3.15Å; N72-I74 VanDerWaalsContact C-N 3.31Å; N72-I74 PolarHBondContact O-N 3.01Å; N72-D75 PolarHBondContact O-N 2.84Å; N72-D76 WeakPolarHBondContact O-CB 3.28Å; N72-D76 PolarHBondContact O-N 3.47Å |
| 73 | W | 98.3 | Very high | 98.4 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 174.8 | -60.7 | -29.5 | 0 | 0 | 0 | 112.7 | M1 P28 W46 I69 V70 H71 E77 | M1-W73 HydrophobicContact SD-CZ3 4.32Å; P28-W73 HydrophobicContact CB-CH2 3.57Å; P28-W73 HydrophobicContact CB-CZ2 3.95Å; P28-W73 HydrophobicContact CB-CZ3 3.95Å; P28-W73 HydrophobicContact CG-CE3 4.21Å; P28-W73 HydrophobicContact CG-CH2 3.64Å; P28-W73 HydrophobicContact CG-CZ2 4.43Å; P28-W73 HydrophobicContact CG-CZ3 3.51Å; W46-W73 HydrophobicContact CH2-CH2 4.09Å; W46-W73 AromaticContact CZ3-CH2 3.75Å; W46-W73 HydrophobicContact CZ3-CH2 3.75Å; W46-W73 HydrophobicContact CZ3-CZ3 4.4Å; I69-W73 HydrophobicContact CG2-CD2 4.35Å; I69-W73 HydrophobicContact CG2-CH2 3.93Å; I69-W73 HydrophobicContact CG2-CZ2 3.44Å; I69-W73 VanDerWaalsContact CG2-CZ2 3.44Å; I69-W73 PolarHBondContact O-N 3.37Å; I69-W73 VanDerWaalsContact O-N 3.15Å; V70-W73 HydrophobicContact CB-CE3 4.31Å; V70-W73 HydrophobicContact CG2-CE3 4.04Å; V70-W73 HydrophobicContact CG2-CZ3 3.82Å; V70-W73 WeakPolarHBondContact O-CB 3.43Å; V70-W73 PolarHBondContact O-N 3.45Å; V70-W73 VanDerWaalsContact O-N 3.14Å; H71-W73 VanDerWaalsContact C-N 3.35Å; H71-W73 PolarHBondContact O-N 3.26Å; W73-E77 WeakPolarHBondContact O-CG 3.48Å; W73-E77 PolarHBondContact O-N 2.54Å |
| 74 | I | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -47.3 | 175.9 | -62.1 | 165.6 | 0 | 0 | 0 | 110 | V70 H71 N72 D76 E77 I78 I87 Y106 L110 | V70-I74 HydrophobicContact CG1-CD1 4.16Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.43Å; H71-I74 PolarHBondContact O-N 3.05Å; N72-I74 VanDerWaalsContact C-N 3.31Å; N72-I74 PolarHBondContact O-N 3.01Å; I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 PolarHBondContact O-N 3.32Å; I74-E77 PolarHBondContact O-N 3.46Å; I74-I78 HydrophobicContact CG2-CD1 4Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 3.49Å; I74-I87 HydrophobicContact CG2-CD1 3.84Å; I74-Y106 HydrophobicContact CB-CE2 4.08Å; I74-Y106 HydrophobicContact CD1-CD2 4.21Å; I74-Y106 HydrophobicContact CD1-CE2 4.44Å; I74-Y106 HydrophobicContact CD1-CG 4.26Å; I74-Y106 HydrophobicContact CG2-CD1 4.27Å; I74-Y106 HydrophobicContact CG2-CE1 3.57Å; I74-Y106 HydrophobicContact CG2-CE2 3.94Å; I74-Y106 WeakPolarHBondContact CG2-OH 3.22Å; I74-L110 HydrophobicContact CD1-CD1 4.01Å; I74-L110 HydrophobicContact CD1-CD2 4.49Å; I74-L110 HydrophobicContact CG2-CD2 4.14Å |
| 75 | D | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 177.6 | -78.7 | -15.6 | 0 | 0 | 0 | 111.7 | H71 N72 I78 Q79 Y106 K107 | H71-D75 WeakPolarHBondContact O-CB 3.39Å; H71-D75 PolarHBondContact O-N 3.05Å; N72-D75 PolarHBondContact O-N 2.84Å; D75-I78 PolarHBondContact O-N 3.33Å; D75-Q79 WeakPolarHBondContact O-CB 3.31Å; D75-Q79 PolarHBondContact O-N 3.31Å; D75-Y106 PolarHBondContact OD1-OH 3.35Å; D75-K107 VanDerWaalsContact CG-NZ 3.32Å; D75-K107 WeakPolarHBondContact OD1-CE 3.27Å; D75-K107 IonicContact OD1-NZ 2.7Å; D75-K107 PolarHBondContact OD1-NZ 2.93Å; D75-K107 IonicContact OD2-NZ 3.62Å; D75-K107 PolarHBondContact OD2-NZ 2.92Å |
| 76 | D | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.1 | -73.1 | -18.8 | 0 | 0 | 0 | 111.5 | N72 I74 I78 Q79 H80 | N72-D76 WeakPolarHBondContact O-CB 3.28Å; N72-D76 PolarHBondContact O-N 3.47Å; I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 PolarHBondContact O-N 3.32Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 3.2Å; D76-Q79 PolarHBondContact O-N 2.87Å; D76-H80 PolarHBondContact O-N 3.42Å; D76-H80 VanDerWaalsContact O-N 3.14Å; D76-H80 PolarHBondContact O-ND1 3.3Å |
| 77 | E | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 177.9 | -62.2 | -62.1 | 138.3 | 0 | 0 | 112 | K24 I26 W73 I74 H80 G81 I82 I87 | K24-E77 IonicContact NZ-OE1 3.61Å; K24-E77 PolarHBondContact NZ-OE1 3.31Å; K24-E77 IonicContact NZ-OE2 2.72Å; K24-E77 PolarHBondContact NZ-OE2 3.47Å; I26-E77 HydrophobicContact CD1-CG 4.16Å; I26-E77 VanDerWaalsContact CD1-OE1 3.3Å; I26-E77 WeakPolarHBondContact CD1-OE1 3.34Å; W73-E77 WeakPolarHBondContact O-CG 3.48Å; W73-E77 PolarHBondContact O-N 2.54Å; I74-E77 PolarHBondContact O-N 3.46Å; E77-H80 CarbonylContact O-C 3.47Å; E77-H80 PolarHBondContact O-N 2.88Å; E77-H80 VanDerWaalsContact O-N 3.16Å; E77-G81 PolarHBondContact O-N 3.39Å; E77-I82 HydrophobicContact CB-CB 4.43Å; E77-I82 PolarHBondContact O-N 3.13Å; E77-I87 HydrophobicContact CB-CD1 4.06Å |
| 78 | I | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 173.2 | -69.5 | 171.8 | 0 | 0 | 0 | 111 | I74 D75 D76 H80 G81 I82 I87 Y106 | I74-I78 HydrophobicContact CG2-CD1 4Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 3.49Å; D75-I78 PolarHBondContact O-N 3.33Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 3.2Å; I78-H80 PolarHBondContact O-N 2.88Å; I78-G81 PolarHBondContact O-N 3.35Å; I78-I82 VanDerWaalsContact CA-O 3.24Å; I78-I82 WeakPolarHBondContact CA-O 3.42Å; I78-I82 VanDerWaalsContact CG1-O 3.29Å; I78-I82 WeakPolarHBondContact CG1-O 3.47Å; I78-I87 HydrophobicContact CG1-CD1 4.01Å; I78-Y106 HydrophobicContact CD1-CE1 4.37Å; I78-Y106 WeakPolarHBondContact CD1-OH 3.45Å |
| 79 | Q | 98.1 | Very high | 98.3 | Very high | 157 Ų | 157 | 60.8 Ų | 60.8 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.3 | -29.1 | 175.8 | -175.9 | 177.3 | -11.9 | 0 | 0 | 112.1 | D75 D76 G81 | D75-Q79 WeakPolarHBondContact O-CB 3.31Å; D75-Q79 PolarHBondContact O-N 3.31Å; D76-Q79 PolarHBondContact O-N 2.87Å; Q79-G81 VanDerWaalsContact C-N 3.31Å |
| 80 | H | 97.5 | Very high | 98.3 | Very high | 146 Ų | 146 | 57.6 Ų | 57.6 | 68% | 0.676 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 11.3 | 175.1 | -68.2 | 88.6 | 0 | 0 | 0 | 114 | D76 E77 I78 | D76-H80 PolarHBondContact O-N 3.42Å; D76-H80 VanDerWaalsContact O-N 3.14Å; D76-H80 PolarHBondContact O-ND1 3.3Å; E77-H80 CarbonylContact O-C 3.47Å; E77-H80 PolarHBondContact O-N 2.88Å; E77-H80 VanDerWaalsContact O-N 3.16Å; I78-H80 PolarHBondContact O-N 2.88Å |
| 81 | G | 97.7 | Very high | 98.3 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 68% | 0.68 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 8.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E77 I78 Q79 | E77-G81 PolarHBondContact O-N 3.39Å; I78-G81 PolarHBondContact O-N 3.35Å; Q79-G81 VanDerWaalsContact C-N 3.31Å |
| 82 | I | 98 | Very high | 98.3 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | trans | -95.7 | 104.2 | 173.7 | -53.2 | -59.3 | 0 | 0 | 0 | 109 | E77 I78 R86 I87 | E77-I82 HydrophobicContact CB-CB 4.43Å; E77-I82 PolarHBondContact O-N 3.13Å; I78-I82 VanDerWaalsContact CA-O 3.24Å; I78-I82 WeakPolarHBondContact CA-O 3.42Å; I78-I82 VanDerWaalsContact CG1-O 3.29Å; I78-I82 WeakPolarHBondContact CG1-O 3.47Å; I82-R86 HydrophobicContact CG2-CB 3.91Å; I82-I87 HydrophobicContact CG2-CD1 4.39Å; I82-I87 HydrophobicContact CG2-CG1 3.84Å | ||
| 83 | S | 97.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -60.3 | 154.1 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | N85 R86 | S83-N85 VanDerWaalsContact C-N 3.26Å; S83-N85 VanDerWaalsContact CB-OD1 3.27Å; S83-N85 WeakPolarHBondContact CB-OD1 3.33Å; S83-N85 PolarHBondContact O-N 3Å; S83-N85 PolarHBondContact OG-OD1 3.28Å; S83-R86 WeakPolarHBondContact O-CA 3.44Å; S83-R86 WeakPolarHBondContact O-CB 3.5Å; S83-R86 PolarHBondContact O-N 2.97Å; S83-R86 WeakPolarHBondContact OG-CG 3.43Å | ||
| 84 | S | 98 | Very high | 98.3 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -53.1 | -40.9 | 179.7 | 48.3 | 0 | 0 | 0 | 0 | 113 | R86 I87 E108 L110 A111 | S84-R86 PolarHBondContact O-N 2.99Å; S84-I87 PolarHBondContact O-N 3.39Å; S84-I87 VanDerWaalsContact O-N 3.1Å; S84-E108 PolarHBondContact OG-OE2 2.86Å; S84-L110 WeakPolarHBondContact O-CA 3.4Å; S84-A111 PolarHBondContact O-N 2.89Å |
| 85 | N | 97.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 49 Ų | 49 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -71.4 | 7.3 | 173.9 | 73.8 | -15.4 | 0 | 0 | 0 | 115.1 | S83 A111 | S83-N85 VanDerWaalsContact C-N 3.26Å; S83-N85 VanDerWaalsContact CB-OD1 3.27Å; S83-N85 WeakPolarHBondContact CB-OD1 3.33Å; S83-N85 PolarHBondContact O-N 3Å; S83-N85 PolarHBondContact OG-OD1 3.28Å; N85-A111 VanDerWaalsContact O-CB 3.25Å; N85-A111 WeakPolarHBondContact O-CB 3.36Å |
| 86 | R | 98.3 | Very high | 98.3 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -119.7 | 11.3 | 171.6 | -64.4 | -64.5 | -62.1 | -176.1 | -4.8 | 112.6 | I82 S83 S84 L197 P198 | I82-R86 HydrophobicContact CG2-CB 3.91Å; S83-R86 WeakPolarHBondContact O-CA 3.44Å; S83-R86 WeakPolarHBondContact O-CB 3.5Å; S83-R86 PolarHBondContact O-N 2.97Å; S83-R86 WeakPolarHBondContact OG-CG 3.43Å; S84-R86 PolarHBondContact O-N 2.99Å; R86-L197 VanDerWaalsContact O-CD2 3.29Å; R86-L197 WeakPolarHBondContact O-CD2 3.28Å; R86-P198 VanDerWaalsContact CZ-O 3.26Å; R86-P198 PolarHBondContact NH1-O 3.48Å; R86-P198 PolarHBondContact NH2-O 3.34Å |
| 87 | I | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -113.5 | 123.7 | 178.4 | -61.6 | 173.8 | 0 | 0 | 0 | 108.5 | I74 E77 I78 I82 S84 L110 A111 | I74-I87 HydrophobicContact CG2-CD1 3.84Å; E77-I87 HydrophobicContact CB-CD1 4.06Å; I78-I87 HydrophobicContact CG1-CD1 4.01Å; I82-I87 HydrophobicContact CG2-CD1 4.39Å; I82-I87 HydrophobicContact CG2-CG1 3.84Å; S84-I87 PolarHBondContact O-N 3.39Å; S84-I87 VanDerWaalsContact O-N 3.1Å; I87-L110 WeakPolarHBondContact O-CB 3.39Å; I87-A111 WeakPolarHBondContact O-CB 3.48Å; I87-A111 PolarHBondContact O-N 2.72Å | ||
| 88 | V | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127 | 167.2 | 170.9 | 0 | 0 | 0 | 0 | 107.8 | A111 G112 L114 F192 L193 L197 | V88-A111 HydrophobicContact CG2-CB 3.97Å; V88-G112 WeakPolarHBondContact CA-O 3.49Å; V88-L114 HydrophobicContact CG1-CD1 4.14Å; V88-L114 HydrophobicContact CG1-CG 3.96Å; V88-F192 HydrophobicContact CG1-CE1 4.16Å; V88-L193 HydrophobicContact CB-CD2 4.11Å; V88-L193 HydrophobicContact CG1-CD2 3.93Å; V88-L193 HydrophobicContact CG2-CD2 4.09Å; V88-L197 HydrophobicContact CB-CD1 4.35Å; V88-L197 HydrophobicContact CG2-CD1 3.79Å; V88-L197 HydrophobicContact CG2-CD2 4.23Å; V88-L197 HydrophobicContact CG2-CG 3.9Å |
| 89 | L | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.9 | 172.6 | -168.4 | 62.9 | 0 | 0 | 0 | 109.5 | M1 V70 A99 A103 L110 G112 I113 L114 | M1-L89 HydrophobicContact CE-CD1 3.92Å; M1-L89 HydrophobicContact CE-CD2 4.27Å; M1-L89 HydrophobicContact CE-CG 4.11Å; V70-L89 HydrophobicContact CG1-CD1 3.81Å; V70-L89 HydrophobicContact CG1-CD2 3.69Å; V70-L89 HydrophobicContact CG1-CG 4.43Å; L89-A99 HydrophobicContact CD2-CB 4.27Å; L89-A99 WeakPolarHBondContact CD2-O 3.29Å; L89-A99 HydrophobicContact CG-CB 3.91Å; L89-A103 HydrophobicContact CD2-CB 4.25Å; L89-L110 HydrophobicContact CB-CD1 3.87Å; L89-L110 HydrophobicContact CD2-CD1 4.5Å; L89-G112 PolarHBondContact N-O 2.68Å; L89-G112 VanDerWaalsContact N-O 3.15Å; L89-I113 CarbonylContact O-C 3.47Å; L89-I113 VanDerWaalsContact O-CA 3.25Å; L89-I113 WeakPolarHBondContact O-CA 3.41Å; L89-L114 PolarHBondContact O-N 3.21Å |
| 90 | G | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 31 Ų | 31 | 19% | 0.186 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 161 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1 L114 | M1-G90 PolarHBondContact N-O 3.49Å; G90-L114 CarbonylContact C-O 3.56Å; G90-L114 WeakPolarHBondContact CA-O 3.34Å |
| 91 | G | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 G96 L114 L116 | M1-G91 CarbonylContact O-C 3.19Å; M1-G91 WeakPolarHBondContact O-CA 3.4Å; G91-G96 VanDerWaalsContact C-N 3.27Å; G91-G96 VanDerWaalsContact O-CA 3.25Å; G91-G96 WeakPolarHBondContact O-CA 3.49Å; G91-L114 PolarHBondContact N-O 3.19Å; G91-L116 WeakPolarHBondContact O-CB 3.34Å; G91-L116 PolarHBondContact O-N 2.73Å |
| 92 | F | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 9% | 0.088 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.7 | -179.7 | 174.4 | -96 | 0 | 0 | 0 | 111.4 | M1 G3 W11 Q94 G95 G96 L116 H179 | M1-F92 PolarHBondContact O-N 3.16Å; G3-F92 WeakPolarHBondContact CA-O 3.45Å; G3-F92 PolarHBondContact N-O 3.17Å; W11-F92 HydrophobicContact CH2-CB 3.3Å; W11-F92 HydrophobicContact CH2-CD1 4.38Å; W11-F92 AromaticContact CH2-CD2 3.73Å; W11-F92 HydrophobicContact CH2-CD2 3.73Å; W11-F92 AromaticContact CH2-CG 3.56Å; W11-F92 HydrophobicContact CH2-CG 3.56Å; W11-F92 HydrophobicContact CZ2-CB 3.14Å; W11-F92 AromaticContact CZ2-CD1 3.74Å; W11-F92 HydrophobicContact CZ2-CD1 3.74Å; W11-F92 AromaticContact CZ2-CD2 3.94Å; W11-F92 HydrophobicContact CZ2-CD2 3.94Å; W11-F92 AromaticContact CZ2-CG 3.33Å; W11-F92 HydrophobicContact CZ2-CG 3.33Å; W11-F92 HydrophobicContact CZ3-CB 4.19Å; F92-Q94 PolarHBondContact O-N 3.14Å; F92-G95 WeakPolarHBondContact O-CA 3.48Å; F92-G95 PolarHBondContact O-N 2.85Å; F92-G96 PolarHBondContact O-N 2.93Å; F92-L116 CarbonylContact C-O 3.6Å; F92-L116 VanDerWaalsContact CA-O 3.24Å; F92-L116 WeakPolarHBondContact CA-O 3.5Å; F92-L116 HydrophobicContact CB-CB 4.37Å; F92-L116 HydrophobicContact CD2-CB 4.12Å; F92-H179 AromaticContact CE1-CD2 3.79Å; F92-H179 AromaticContact CE1-NE2 3.51Å; F92-H179 AromaticContact CZ-CD2 3.59Å; F92-H179 AromaticContact CZ-CE1 3.84Å; F92-H179 AromaticContact CZ-CG 3.94Å; F92-H179 AromaticContact CZ-NE2 3.56Å |
| 93 | S | 98.2 | Very high | 98.5 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 8% | 0.084 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -125 | 177.1 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | G95 G96 A97 L116 S117 C118 H179 | S93-G95 PolarHBondContact O-N 2.74Å; S93-G95 VanDerWaalsContact O-N 3.16Å; S93-G96 WeakPolarHBondContact O-CA 3.18Å; S93-G96 PolarHBondContact O-N 3.35Å; S93-A97 PolarHBondContact O-N 2.98Å; S93-L116 PolarHBondContact N-O 3.44Å; S93-S117 WeakPolarHBondContact CA-O 3.44Å; S93-C118 WeakPolarHBondContact O-CB 3.48Å; S93-H179 VanDerWaalsContact CB-NE2 3.27Å; S93-H179 WeakPolarHBondContact CB-NE2 3.49Å; S93-H179 PolarHBondContact OG-CE1 3.23Å; S93-H179 VanDerWaalsContact OG-CE1 3.29Å; S93-H179 PolarHBondContact OG-NE2 3.36Å |
| 94 | Q | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -49.9 | -40.4 | 173.9 | -170.3 | -177.7 | 47.9 | 0 | 0 | 113.7 | S45 W46 F47 I49 F92 G96 A97 L98 W119 | S45-Q94 PolarHBondContact OG-NE2 2.86Å; S45-Q94 PolarHBondContact OG-OE1 3.3Å; W46-Q94 HydrophobicContact CB-CG 4.39Å; F47-Q94 HydrophobicContact CD1-CG 4.22Å; F47-Q94 HydrophobicContact CE1-CG 3.6Å; F47-Q94 HydrophobicContact CE2-CG 3.95Å; F47-Q94 HydrophobicContact CZ-CG 3.45Å; F47-Q94 VanDerWaalsContact CZ-CG 3.45Å; F47-Q94 PolarHBondContact O-NE2 3.47Å; I49-Q94 HydrophobicContact CD1-CB 4.29Å; I49-Q94 HydrophobicContact CD1-CG 4.19Å; F92-Q94 PolarHBondContact O-N 3.14Å; Q94-G96 VanDerWaalsContact C-N 3.32Å; Q94-G96 PolarHBondContact O-N 3.38Å; Q94-A97 PolarHBondContact O-N 3.41Å; Q94-L98 PolarHBondContact O-N 2.76Å; Q94-W119 HydrophobicContact CB-CH2 4.44Å |
| 95 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.1 | -30.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 H2 F92 S93 A99 | M1-G95 WeakPolarHBondContact CE-O 3.38Å; H2-G95 WeakPolarHBondContact O-CA 3.42Å; H2-G95 PolarHBondContact O-N 3.34Å; F92-G95 WeakPolarHBondContact O-CA 3.48Å; F92-G95 PolarHBondContact O-N 2.85Å; S93-G95 PolarHBondContact O-N 2.74Å; S93-G95 VanDerWaalsContact O-N 3.16Å; G95-A99 WeakPolarHBondContact O-CB 3.45Å; G95-A99 PolarHBondContact O-N 2.72Å |
| 96 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.1 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G91 F92 S93 Q94 A99 L100 | G91-G96 VanDerWaalsContact C-N 3.27Å; G91-G96 VanDerWaalsContact O-CA 3.25Å; G91-G96 WeakPolarHBondContact O-CA 3.49Å; F92-G96 PolarHBondContact O-N 2.93Å; S93-G96 WeakPolarHBondContact O-CA 3.18Å; S93-G96 PolarHBondContact O-N 3.35Å; Q94-G96 VanDerWaalsContact C-N 3.32Å; Q94-G96 PolarHBondContact O-N 3.38Å; G96-A99 WeakPolarHBondContact O-CB 3.39Å; G96-A99 PolarHBondContact O-N 2.91Å; G96-A99 VanDerWaalsContact O-N 3.14Å; G96-L100 PolarHBondContact O-N 3.34Å |
| 97 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F47 S93 Q94 A99 L100 Y101 W119 P121 | F47-A97 HydrophobicContact CZ-CB 4.4Å; S93-A97 PolarHBondContact O-N 2.98Å; Q94-A97 PolarHBondContact O-N 3.41Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 3Å; A97-L100 PolarHBondContact O-N 2.9Å; A97-Y101 PolarHBondContact O-N 2.89Å; A97-Y101 VanDerWaalsContact O-N 3.13Å; A97-W119 WeakPolarHBondContact CA-O 3.17Å; A97-W119 HydrophobicContact CB-CD2 3.89Å; A97-W119 HydrophobicContact CB-CE3 4.18Å; A97-W119 HydrophobicContact CB-CG 4.39Å; A97-W119 HydrophobicContact CB-CH2 4.31Å; A97-W119 HydrophobicContact CB-CZ2 4.04Å; A97-W119 HydrophobicContact CB-CZ3 4.38Å; A97-W119 VanDerWaalsContact CB-O 3.28Å; A97-W119 WeakPolarHBondContact CB-O 3.24Å; A97-P121 HydrophobicContact CB-CG 4.09Å; A97-P121 VanDerWaalsContact O-CD 3.28Å; A97-P121 WeakPolarHBondContact O-CD 3.46Å; A97-P121 WeakPolarHBondContact O-CG 3.42Å |
| 98 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 173.5 | -175.3 | 57.2 | 0 | 0 | 0 | 112.3 | M1 W46 F47 A66 V70 Q94 S102 | M1-L98 HydrophobicContact CE-CB 4.06Å; M1-L98 HydrophobicContact CE-CD2 4.27Å; M1-L98 HydrophobicContact CE-CG 3.93Å; M1-L98 HydrophobicContact SD-CB 4.33Å; M1-L98 HydrophobicContact SD-CD2 3.54Å; M1-L98 VanDerWaalsContact SD-CD2 3.54Å; M1-L98 HydrophobicContact SD-CG 3.88Å; W46-L98 HydrophobicContact CB-CD2 3.81Å; W46-L98 HydrophobicContact CD2-CD2 3.91Å; W46-L98 HydrophobicContact CE3-CD2 4.05Å; W46-L98 HydrophobicContact CG-CD2 3.82Å; F47-L98 HydrophobicContact CE1-CB 4.14Å; A66-L98 HydrophobicContact CB-CD1 3.74Å; A66-L98 HydrophobicContact CB-CD2 3.85Å; A66-L98 HydrophobicContact CB-CG 4.49Å; V70-L98 HydrophobicContact CG2-CD2 3.9Å; V70-L98 HydrophobicContact CG2-CG 4.11Å; Q94-L98 PolarHBondContact O-N 2.76Å; L98-S102 WeakPolarHBondContact CD1-OG 3.05Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 2.87Å; L98-S102 PolarHBondContact O-OG 2.92Å |
| 99 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 L89 G95 G96 A97 A103 | M1-A99 VanDerWaalsContact CE-CA 3.41Å; M1-A99 HydrophobicContact CE-CB 3.61Å; L89-A99 HydrophobicContact CD2-CB 4.27Å; L89-A99 WeakPolarHBondContact CD2-O 3.29Å; L89-A99 HydrophobicContact CG-CB 3.91Å; G95-A99 WeakPolarHBondContact O-CB 3.45Å; G95-A99 PolarHBondContact O-N 2.72Å; G96-A99 WeakPolarHBondContact O-CB 3.39Å; G96-A99 PolarHBondContact O-N 2.91Å; G96-A99 VanDerWaalsContact O-N 3.14Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 3Å; A99-A103 VanDerWaalsContact O-CB 3.28Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 2.92Å |
| 100 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -56.4 | 176.1 | -78 | 167.5 | 0 | 0 | 0 | 111.3 | G96 A97 S102 A103 F104 I113 A115 L120 I139 T158 L162 | G96-L100 PolarHBondContact O-N 3.34Å; A97-L100 PolarHBondContact O-N 2.9Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-S102 PolarHBondContact O-N 2.94Å; L100-A103 PolarHBondContact O-N 2.94Å; L100-F104 WeakPolarHBondContact O-CB 3.49Å; L100-F104 WeakPolarHBondContact O-CD1 3.41Å; L100-F104 WeakPolarHBondContact O-CG 3.44Å; L100-F104 PolarHBondContact O-N 3.25Å; L100-I113 HydrophobicContact CD2-CG2 3.93Å; L100-I113 HydrophobicContact CG-CG2 4.37Å; L100-A115 HydrophobicContact CD1-CB 3.94Å; L100-A115 HydrophobicContact CD2-CB 4.16Å; L100-A115 HydrophobicContact CG-CB 4.04Å; L100-L120 HydrophobicContact CB-CD1 3.95Å; L100-L120 HydrophobicContact CD1-CB 4.44Å; L100-I139 HydrophobicContact CD2-CG2 4.33Å; L100-T158 HydrophobicContact CD1-CG2 4.43Å; L100-L162 HydrophobicContact CD2-CD1 4.22Å; L100-L162 HydrophobicContact CD2-CD2 3.94Å |
| 101 | Y | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 4% | 0.043 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | -177.6 | -177 | -85.7 | 0 | 0 | 0 | 112.3 | I63 K64 A97 A103 F104 T105 P121 L122 E125 F126 | I63-Y101 HydrophobicContact CG2-CD1 3.77Å; I63-Y101 HydrophobicContact CG2-CD2 4.09Å; I63-Y101 HydrophobicContact CG2-CE1 4.05Å; I63-Y101 HydrophobicContact CG2-CE2 4.37Å; I63-Y101 HydrophobicContact CG2-CG 3.8Å; K64-Y101 WeakPolarHBondContact CE-OH 3.29Å; K64-Y101 HydrophobicContact CG-CE1 4.31Å; K64-Y101 VanDerWaalsContact CG-OH 3.27Å; K64-Y101 WeakPolarHBondContact CG-OH 3.42Å; A97-Y101 PolarHBondContact O-N 2.89Å; A97-Y101 VanDerWaalsContact O-N 3.13Å; Y101-A103 PolarHBondContact O-N 3.01Å; Y101-F104 PolarHBondContact O-N 3.46Å; Y101-T105 HydrophobicContact CD1-CG2 4.33Å; Y101-T105 HydrophobicContact CE1-CG2 3.88Å; Y101-T105 HydrophobicContact CE2-CG2 4.12Å; Y101-T105 WeakPolarHBondContact O-CB 3.49Å; Y101-T105 WeakPolarHBondContact O-CG2 3.36Å; Y101-T105 PolarHBondContact O-N 3.21Å; Y101-T105 PolarHBondContact O-OG1 3.02Å; Y101-P121 HydrophobicContact CD2-CG 4.43Å; Y101-P121 HydrophobicContact CG-CG 4.39Å; Y101-L122 HydrophobicContact CD2-CB 4.23Å; Y101-L122 HydrophobicContact CD2-CD1 4.25Å; Y101-L122 HydrophobicContact CE2-CB 3.94Å; Y101-L122 HydrophobicContact CE2-CD1 3.59Å; Y101-L122 HydrophobicContact CE2-CG 4.27Å; Y101-E125 PolarHBondContact OH-OE2 3.43Å; Y101-F126 AromaticContact CD2-CE2 3.91Å; Y101-F126 HydrophobicContact CD2-CE2 3.91Å; Y101-F126 AromaticContact CD2-CZ 3.61Å; Y101-F126 HydrophobicContact CD2-CZ 3.61Å; Y101-F126 HydrophobicContact CE2-CE2 4.27Å; Y101-F126 AromaticContact CE2-CZ 3.8Å; Y101-F126 HydrophobicContact CE2-CZ 3.8Å; Y101-F126 HydrophobicContact CG-CZ 4.45Å |
| 102 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | S67 H71 L98 L100 T105 Y106 | S67-S102 WeakPolarHBondContact CA-OG 3.29Å; S67-S102 WeakPolarHBondContact OG-CA 3.41Å; S67-S102 PolarHBondContact OG-OG 3.42Å; H71-S102 PolarHBondContact NE2-O 3.01Å; L98-S102 WeakPolarHBondContact CD1-OG 3.05Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 2.87Å; L98-S102 PolarHBondContact O-OG 2.92Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-S102 PolarHBondContact O-N 2.94Å; S102-T105 PolarHBondContact O-N 3.13Å; S102-T105 PolarHBondContact O-OG1 3.22Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.49Å |
| 103 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.5 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L89 A99 L100 Y101 T105 L110 I113 H134 | L89-A103 HydrophobicContact CD2-CB 4.25Å; A99-A103 VanDerWaalsContact O-CB 3.28Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 2.92Å; L100-A103 PolarHBondContact O-N 2.94Å; Y101-A103 PolarHBondContact O-N 3.01Å; A103-T105 VanDerWaalsContact C-N 3.34Å; A103-L110 HydrophobicContact CB-CD1 3.95Å; A103-I113 HydrophobicContact CB-CD1 3.4Å; A103-I113 VanDerWaalsContact CB-CD1 3.4Å; A103-I113 HydrophobicContact CB-CG1 3.65Å; A103-H134 PolarHBondContact O-CE1 3.49Å; A103-H134 PolarHBondContact O-ND1 3.02Å |
| 104 | F | 98 | Very high | 98.3 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.6 | -26.4 | 178.6 | -78.6 | 14.7 | 0 | 0 | 0 | 113.1 | L100 Y101 I113 L120 F126 M131 I139 L162 L165 | L100-F104 WeakPolarHBondContact O-CB 3.49Å; L100-F104 WeakPolarHBondContact O-CD1 3.41Å; L100-F104 WeakPolarHBondContact O-CG 3.44Å; L100-F104 PolarHBondContact O-N 3.25Å; Y101-F104 PolarHBondContact O-N 3.46Å; F104-I113 HydrophobicContact CD1-CD1 3.87Å; F104-I113 HydrophobicContact CE1-CD1 3.64Å; F104-L120 HydrophobicContact CD2-CD1 3.93Å; F104-L120 HydrophobicContact CE2-CD1 3.97Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å; F104-F126 HydrophobicContact CB-CD1 4.16Å; F104-F126 HydrophobicContact CB-CE1 3.55Å; F104-F126 HydrophobicContact CB-CZ 3.91Å; F104-F126 AromaticContact CD2-CD1 3.96Å; F104-F126 HydrophobicContact CD2-CD1 3.96Å; F104-F126 HydrophobicContact CD2-CD2 4.24Å; F104-F126 HydrophobicContact CD2-CE1 4.03Å; F104-F126 HydrophobicContact CD2-CE2 4.3Å; F104-F126 HydrophobicContact CD2-CG 4.07Å; F104-F126 HydrophobicContact CD2-CZ 4.19Å; F104-F126 HydrophobicContact CG-CE1 4.33Å; F104-M131 HydrophobicContact CB-CE 3.78Å; F104-M131 HydrophobicContact CB-SD 3.81Å; F104-M131 HydrophobicContact CD1-CE 3.31Å; F104-M131 HydrophobicContact CD1-SD 4.43Å; F104-M131 HydrophobicContact CD2-CE 3.43Å; F104-M131 VanDerWaalsContact CD2-CE 3.43Å; F104-M131 HydrophobicContact CD2-SD 3.7Å; F104-M131 HydrophobicContact CE1-CE 3.54Å; F104-M131 HydrophobicContact CE2-CE 3.67Å; F104-M131 HydrophobicContact CE2-SD 4.3Å; F104-M131 HydrophobicContact CG-CE 3.22Å; F104-M131 HydrophobicContact CG-SD 3.76Å; F104-M131 HydrophobicContact CZ-CE 3.71Å; F104-I139 HydrophobicContact CE1-CD1 3.75Å; F104-I139 HydrophobicContact CZ-CD1 3.83Å; F104-L162 HydrophobicContact CE2-CD2 3.87Å; F104-L162 HydrophobicContact CZ-CD2 3.51Å; F104-L165 HydrophobicContact CE2-CD1 3.85Å |
| 105 | T | 97.9 | Very high | 98.4 | Very high | 51 Ų | 51 | 17.9 Ų | 17.9 | 31% | 0.313 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -104.3 | -1.4 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | S67 H71 Y101 S102 A103 F126 | S67-T105 PolarHBondContact OG-OG1 3.26Å; H71-T105 PolarHBondContact CE1-O 3.24Å; H71-T105 PolarHBondContact CE1-OG1 3.41Å; H71-T105 PolarHBondContact NE2-OG1 3.05Å; Y101-T105 HydrophobicContact CD1-CG2 4.33Å; Y101-T105 HydrophobicContact CE1-CG2 3.88Å; Y101-T105 HydrophobicContact CE2-CG2 4.12Å; Y101-T105 WeakPolarHBondContact O-CB 3.49Å; Y101-T105 WeakPolarHBondContact O-CG2 3.36Å; Y101-T105 PolarHBondContact O-N 3.21Å; Y101-T105 PolarHBondContact O-OG1 3.02Å; S102-T105 PolarHBondContact O-N 3.13Å; S102-T105 PolarHBondContact O-OG1 3.22Å; A103-T105 VanDerWaalsContact C-N 3.34Å; T105-F126 HydrophobicContact CG2-CE1 3.92Å; T105-F126 HydrophobicContact CG2-CZ 4.05Å |
| 106 | Y | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -71.6 | 148.3 | 175.1 | -169.8 | -117.1 | 0 | 0 | 0 | 110.3 | H71 I74 D75 I78 S102 E108 L110 H134 | H71-Y106 HydrophobicContact CB-CD2 4.02Å; H71-Y106 HydrophobicContact CB-CE2 4.22Å; H71-Y106 AromaticContact CD2-CD2 3.53Å; H71-Y106 AromaticContact CG-CD2 3.75Å; I74-Y106 HydrophobicContact CB-CE2 4.08Å; I74-Y106 HydrophobicContact CD1-CD2 4.21Å; I74-Y106 HydrophobicContact CD1-CE2 4.44Å; I74-Y106 HydrophobicContact CD1-CG 4.26Å; I74-Y106 HydrophobicContact CG2-CD1 4.27Å; I74-Y106 HydrophobicContact CG2-CE1 3.57Å; I74-Y106 HydrophobicContact CG2-CE2 3.94Å; I74-Y106 WeakPolarHBondContact CG2-OH 3.22Å; D75-Y106 PolarHBondContact OD1-OH 3.35Å; I78-Y106 HydrophobicContact CD1-CE1 4.37Å; I78-Y106 WeakPolarHBondContact CD1-OH 3.45Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.49Å; Y106-E108 HydrophobicContact CD1-CB 4.36Å; Y106-E108 VanDerWaalsContact CD1-O 3.27Å; Y106-E108 WeakPolarHBondContact CD1-O 3.36Å; Y106-E108 HydrophobicContact CE1-CB 4.17Å; Y106-E108 PolarHBondContact O-N 3.37Å; Y106-E108 VanDerWaalsContact O-N 3.13Å; Y106-L110 HydrophobicContact CD1-CD2 3.69Å; Y106-L110 HydrophobicContact CD1-CG 4.38Å; Y106-L110 HydrophobicContact CE1-CD2 3.97Å; Y106-H134 PolarHBondContact O-CE1 2.93Å; Y106-H134 PolarHBondContact O-NE2 2.71Å; Y106-H134 VanDerWaalsContact O-NE2 3.14Å |
| 107 | K | 97.2 | Very high | 98.4 | Very high | 135 Ų | 135 | 18 Ų | 18 | 59% | 0.587 | 9% | 0.093 | S | C | * | . | S | Bend | trans | -64.6 | -18.4 | -172.7 | 62.3 | -172.8 | 177.8 | -148.9 | 0 | 115 | D75 | D75-K107 VanDerWaalsContact CG-NZ 3.32Å; D75-K107 WeakPolarHBondContact OD1-CE 3.27Å; D75-K107 IonicContact OD1-NZ 2.7Å; D75-K107 PolarHBondContact OD1-NZ 2.93Å; D75-K107 IonicContact OD2-NZ 3.62Å; D75-K107 PolarHBondContact OD2-NZ 2.92Å |
| 108 | E | 96.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 18 Ų | 18 | 36% | 0.364 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -134.4 | 150.6 | -176.8 | -74.2 | 171.7 | -126 | 0 | 0 | 110.8 | S84 Y106 H134 | S84-E108 PolarHBondContact OG-OE2 2.86Å; Y106-E108 HydrophobicContact CD1-CB 4.36Å; Y106-E108 VanDerWaalsContact CD1-O 3.27Å; Y106-E108 WeakPolarHBondContact CD1-O 3.36Å; Y106-E108 HydrophobicContact CE1-CB 4.17Å; Y106-E108 PolarHBondContact O-N 3.37Å; Y106-E108 VanDerWaalsContact O-N 3.13Å; E108-H134 PolarHBondContact O-CE1 3.34Å |
| 109 | P | 97.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 19.5 Ų | 19.5 | 37% | 0.37 | 10% | 0.098 | S | C | . | . | trans | -65.6 | 137.7 | 172.7 | 27.4 | -33.4 | 0 | 0 | 0 | 111.3 | V137 | P109-V137 HydrophobicContact CB-CG2 3.65Š| ||
| 110 | L | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | trans | -89.9 | 169.7 | 175.1 | -59.1 | -174.2 | 0 | 0 | 0 | 111.5 | I74 S84 I87 L89 A103 Y106 G112 | I74-L110 HydrophobicContact CD1-CD1 4.01Å; I74-L110 HydrophobicContact CD1-CD2 4.49Å; I74-L110 HydrophobicContact CG2-CD2 4.14Å; S84-L110 WeakPolarHBondContact O-CA 3.4Å; I87-L110 WeakPolarHBondContact O-CB 3.39Å; L89-L110 HydrophobicContact CB-CD1 3.87Å; L89-L110 HydrophobicContact CD2-CD1 4.5Å; A103-L110 HydrophobicContact CB-CD1 3.95Å; Y106-L110 HydrophobicContact CD1-CD2 3.69Å; Y106-L110 HydrophobicContact CD1-CG 4.38Å; Y106-L110 HydrophobicContact CE1-CD2 3.97Å; L110-G112 PolarHBondContact O-N 3.17Å | ||
| 111 | A | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 10% | 0.099 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -64.9 | -28.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S84 N85 I87 V88 P138 L197 | S84-A111 PolarHBondContact O-N 2.89Å; N85-A111 VanDerWaalsContact O-CB 3.25Å; N85-A111 WeakPolarHBondContact O-CB 3.36Å; I87-A111 WeakPolarHBondContact O-CB 3.48Å; I87-A111 PolarHBondContact O-N 2.72Å; V88-A111 HydrophobicContact CG2-CB 3.97Å; A111-P138 WeakPolarHBondContact O-CD 3.38Å; A111-L197 HydrophobicContact CB-CD2 3.82Å |
| 112 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 171.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V88 L89 L110 P138 | V88-G112 WeakPolarHBondContact CA-O 3.49Å; L89-G112 PolarHBondContact N-O 2.68Å; L89-G112 VanDerWaalsContact N-O 3.15Å; L110-G112 PolarHBondContact O-N 3.17Å; G112-P138 CarbonylContact C-O 3.46Å; G112-P138 WeakPolarHBondContact CA-O 3.3Å |
| 113 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.8 | 179.3 | -51.2 | 167.6 | 0 | 0 | 0 | 110.3 | L89 L100 A103 F104 V137 P138 I139 L140 | L89-I113 CarbonylContact O-C 3.47Å; L89-I113 VanDerWaalsContact O-CA 3.25Å; L89-I113 WeakPolarHBondContact O-CA 3.41Å; L100-I113 HydrophobicContact CD2-CG2 3.93Å; L100-I113 HydrophobicContact CG-CG2 4.37Å; A103-I113 HydrophobicContact CB-CD1 3.4Å; A103-I113 VanDerWaalsContact CB-CD1 3.4Å; A103-I113 HydrophobicContact CB-CG1 3.65Å; F104-I113 HydrophobicContact CD1-CD1 3.87Å; F104-I113 HydrophobicContact CE1-CD1 3.64Å; I113-V137 HydrophobicContact CD1-CG1 4Å; I113-V137 HydrophobicContact CG1-CG1 3.91Å; I113-P138 PolarHBondContact N-O 3.48Å; I113-I139 HydrophobicContact CB-CG1 4.21Å; I113-I139 HydrophobicContact CB-CG2 4.24Å; I113-I139 HydrophobicContact CD1-CD1 4.08Å; I113-I139 HydrophobicContact CD1-CG1 4.07Å; I113-I139 HydrophobicContact CG1-CG1 4.46Å; I113-I139 WeakPolarHBondContact O-CA 3.4Å; I113-L140 PolarHBondContact O-N 2.82Å |
| 114 | L | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.5 | 170.4 | -65.7 | 173 | 0 | 0 | 0 | 110.2 | V88 L89 G90 G91 L140 V189 F192 L193 | V88-L114 HydrophobicContact CG1-CD1 4.14Å; V88-L114 HydrophobicContact CG1-CG 3.96Å; L89-L114 PolarHBondContact O-N 3.21Å; G90-L114 CarbonylContact C-O 3.56Å; G90-L114 WeakPolarHBondContact CA-O 3.34Å; G91-L114 PolarHBondContact N-O 3.19Å; L114-L140 HydrophobicContact CD2-CB 3.99Å; L114-L140 HydrophobicContact CD2-CD2 3.87Å; L114-L140 HydrophobicContact CD2-CG 4.34Å; L114-V189 HydrophobicContact CD1-CG1 3.74Å; L114-V189 HydrophobicContact CD2-CG1 4.27Å; L114-V189 HydrophobicContact CD2-CG2 4.32Å; L114-F192 HydrophobicContact CD2-CB 4.47Å; L114-F192 HydrophobicContact CD2-CD1 3.37Å; L114-F192 HydrophobicContact CD2-CE1 3.7Å; L114-F192 HydrophobicContact CD2-CG 4.04Å; L114-F192 HydrophobicContact CG-CD1 4.11Å; L114-F192 HydrophobicContact CG-CE1 4.09Å; L114-L193 HydrophobicContact CD1-CD2 4.12Å; L114-L193 HydrophobicContact CD1-CG 4.44Å |
| 115 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 91.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L100 L140 Q141 C142 | L100-A115 HydrophobicContact CD1-CB 3.94Å; L100-A115 HydrophobicContact CD2-CB 4.16Å; L100-A115 HydrophobicContact CG-CB 4.04Å; A115-L140 PolarHBondContact N-O 3.19Å; A115-Q141 HydrophobicContact CB-CB 4.4Å; A115-Q141 HydrophobicContact CB-CG 4.38Å; A115-Q141 CarbonylContact O-C 3.55Å; A115-Q141 VanDerWaalsContact O-CA 3.29Å; A115-Q141 WeakPolarHBondContact O-CA 3.36Å; A115-C142 PolarHBondContact O-N 3.49Å |
| 116 | L | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.8 | -173.9 | -45.4 | 179.6 | 0 | 0 | 0 | 110.7 | W11 G91 F92 S93 C118 C142 V189 | W11-L116 HydrophobicContact CH2-CD1 4.34Å; W11-L116 HydrophobicContact CZ3-CD1 3.91Å; G91-L116 WeakPolarHBondContact O-CB 3.34Å; G91-L116 PolarHBondContact O-N 2.73Å; F92-L116 CarbonylContact C-O 3.6Å; F92-L116 VanDerWaalsContact CA-O 3.24Å; F92-L116 WeakPolarHBondContact CA-O 3.5Å; F92-L116 HydrophobicContact CB-CB 4.37Å; F92-L116 HydrophobicContact CD2-CB 4.12Å; S93-L116 PolarHBondContact N-O 3.44Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.43Å; L116-C142 HydrophobicContact CD2-CB 3.73Å; L116-V189 HydrophobicContact CD2-CG2 4.06Å |
| 117 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 47.4 | 45.5 | 176.5 | -57 | 0 | 0 | 0 | 0 | 114.3 | S93 C142 H143 | S93-S117 WeakPolarHBondContact CA-O 3.44Å; S117-C142 PolarHBondContact N-O 2.87Å; S117-H143 VanDerWaalsContact C-CE1 3.46Å; S117-H143 WeakPolarHBondContact CA-CE1 3Å; S117-H143 WeakPolarHBondContact CA-ND1 3.4Å |
| 118 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -134.1 | -173.2 | -170.4 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | S93 L116 | S93-C118 WeakPolarHBondContact O-CB 3.48Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.43Å | ||
| 119 | W | 98.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 11% | 0.114 | 18% | 0.181 | C | C | . | . | trans | -131.5 | 166.1 | 178.3 | 68.9 | 101.8 | 0 | 0 | 0 | 110.8 | F47 E58 Q94 A97 P121 V150 V154 T158 | F47-W119 HydrophobicContact CE2-CZ2 4.25Å; F47-W119 HydrophobicContact CZ-CZ2 4.22Å; E58-W119 PolarHBondContact OE1-NE1 3.37Å; Q94-W119 HydrophobicContact CB-CH2 4.44Å; A97-W119 WeakPolarHBondContact CA-O 3.17Å; A97-W119 HydrophobicContact CB-CD2 3.89Å; A97-W119 HydrophobicContact CB-CE3 4.18Å; A97-W119 HydrophobicContact CB-CG 4.39Å; A97-W119 HydrophobicContact CB-CH2 4.31Å; A97-W119 HydrophobicContact CB-CZ2 4.04Å; A97-W119 HydrophobicContact CB-CZ3 4.38Å; A97-W119 VanDerWaalsContact CB-O 3.28Å; A97-W119 WeakPolarHBondContact CB-O 3.24Å; W119-P121 WeakPolarHBondContact O-CD 3.19Å; W119-V150 HydrophobicContact CE3-CG1 4.48Å; W119-V150 HydrophobicContact CE3-CG2 4.19Å; W119-V150 HydrophobicContact CZ3-CG2 4.17Å; W119-V154 HydrophobicContact CB-CG1 3.69Å; W119-T158 WeakPolarHBondContact CA-OG1 3.4Å | ||
| 120 | L | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -88.1 | 110 | 168.3 | 176.9 | 64 | 0 | 0 | 0 | 108.9 | L100 F104 H123 F126 T158 M161 L162 L165 | L100-L120 HydrophobicContact CB-CD1 3.95Å; L100-L120 HydrophobicContact CD1-CB 4.44Å; F104-L120 HydrophobicContact CD2-CD1 3.93Å; F104-L120 HydrophobicContact CE2-CD1 3.97Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å; L120-H123 HydrophobicContact CB-CB 4.42Å; L120-H123 HydrophobicContact CD2-CB 3.96Å; L120-H123 HydrophobicContact CG-CB 4Å; L120-F126 HydrophobicContact CD1-CD2 4.12Å; L120-F126 HydrophobicContact CD1-CE2 3.87Å; L120-F126 HydrophobicContact CD2-CD2 3.98Å; L120-F126 HydrophobicContact CG-CD2 4.22Å; L120-F126 HydrophobicContact CG-CE2 4.32Å; L120-T158 HydrophobicContact CB-CG2 3.95Å; L120-T158 PolarHBondContact N-OG1 3.23Å; L120-M161 HydrophobicContact CD2-CB 4.39Å; L120-L162 HydrophobicContact CD2-CD2 4.47Å; L120-L165 HydrophobicContact CD2-CD1 4.04Å | ||
| 121 | P | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 155.3 | 178.7 | 35.1 | -35.1 | 0 | 0 | 0 | 110.4 | E58 I63 A97 Y101 W119 H123 | E58-P121 VanDerWaalsContact OE1-CA 3.24Å; E58-P121 WeakPolarHBondContact OE1-CA 3.28Å; E58-P121 WeakPolarHBondContact OE1-CB 3.39Å; I63-P121 HydrophobicContact CD1-CB 3.97Å; I63-P121 HydrophobicContact CG2-CG 4.37Å; A97-P121 HydrophobicContact CB-CG 4.09Å; A97-P121 VanDerWaalsContact O-CD 3.28Å; A97-P121 WeakPolarHBondContact O-CD 3.46Å; A97-P121 WeakPolarHBondContact O-CG 3.42Å; Y101-P121 HydrophobicContact CD2-CG 4.43Å; Y101-P121 HydrophobicContact CG-CG 4.39Å; W119-P121 WeakPolarHBondContact O-CD 3.19Å; P121-H123 PolarHBondContact O-N 3.2Å; P121-H123 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 97.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.2 | -177.7 | -53.7 | 176.8 | 0 | 0 | 0 | 112.2 | E58 E60 I63 Y101 T124 E125 | E58-L122 HydrophobicContact CB-CD2 4.15Å; E58-L122 WeakPolarHBondContact OE2-CA 3.47Å; E58-L122 PolarHBondContact OE2-N 2.84Å; E60-L122 HydrophobicContact CB-CD1 4.33Å; E60-L122 HydrophobicContact CB-CD2 3.92Å; E60-L122 HydrophobicContact CG-CD1 3.73Å; E60-L122 HydrophobicContact CG-CD2 3.9Å; E60-L122 HydrophobicContact CG-CG 4.48Å; I63-L122 HydrophobicContact CB-CD1 4.22Å; I63-L122 HydrophobicContact CD1-CD1 4.36Å; I63-L122 HydrophobicContact CD1-CD2 4.33Å; I63-L122 HydrophobicContact CD1-CG 4.08Å; I63-L122 HydrophobicContact CG2-CD1 3.94Å; I63-L122 HydrophobicContact CG2-CG 4.48Å; Y101-L122 HydrophobicContact CD2-CB 4.23Å; Y101-L122 HydrophobicContact CD2-CD1 4.25Å; Y101-L122 HydrophobicContact CE2-CB 3.94Å; Y101-L122 HydrophobicContact CE2-CD1 3.59Å; Y101-L122 HydrophobicContact CE2-CG 4.27Å; L122-T124 PolarHBondContact O-N 3.05Å; L122-E125 HydrophobicContact CB-CG 4.28Å; L122-E125 WeakPolarHBondContact O-CB 3.49Å; L122-E125 PolarHBondContact O-N 3Å |
| 123 | H | 96.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 21% | 0.213 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -57.8 | -23.1 | -167.7 | 67.3 | 81.4 | 0 | 0 | 0 | 114.2 | L120 P121 E125 F126 M161 | L120-H123 HydrophobicContact CB-CB 4.42Å; L120-H123 HydrophobicContact CD2-CB 3.96Å; L120-H123 HydrophobicContact CG-CB 4Å; P121-H123 PolarHBondContact O-N 3.2Å; P121-H123 VanDerWaalsContact O-N 3.15Å; H123-E125 PolarHBondContact O-N 3.38Å; H123-F126 PolarHBondContact O-N 3.15Å; H123-M161 HydrophobicContact CB-CE 4.22Å; H123-M161 HydrophobicContact CB-SD 3.61Å; H123-M161 WeakPolarHBondContact ND1-CE 3.46Å |
| 124 | T | 95.9 | Very high | 97.1 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 74% | 0.742 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -71.4 | -13 | 178 | 57.7 | 0 | 0 | 0 | 0 | 114 | L122 F126 | L122-T124 PolarHBondContact O-N 3.05Å; T124-F126 VanDerWaalsContact C-N 3.27Å |
| 125 | E | 96.4 | Very high | 97 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -77.4 | -13.3 | 173.5 | -61.6 | -167.6 | 159.4 | 0 | 0 | 112.8 | K64 Y101 L122 H123 | K64-E125 WeakPolarHBondContact CE-OE1 3.48Å; K64-E125 IonicContact NZ-OE1 3.25Å; K64-E125 PolarHBondContact NZ-OE1 3.21Å; K64-E125 IonicContact NZ-OE2 3.74Å; Y101-E125 PolarHBondContact OH-OE2 3.43Å; L122-E125 HydrophobicContact CB-CG 4.28Å; L122-E125 WeakPolarHBondContact O-CB 3.49Å; L122-E125 PolarHBondContact O-N 3Å; H123-E125 PolarHBondContact O-N 3.38Å |
| 126 | F | 97.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 11% | 0.114 | 29% | 0.287 | C | S | . | . | trans | -104.7 | 135.9 | -174.7 | -54.1 | -68.4 | 0 | 0 | 0 | 112.6 | Y101 F104 T105 L120 H123 T124 T130 M131 L165 | Y101-F126 AromaticContact CD2-CE2 3.91Å; Y101-F126 HydrophobicContact CD2-CE2 3.91Å; Y101-F126 AromaticContact CD2-CZ 3.61Å; Y101-F126 HydrophobicContact CD2-CZ 3.61Å; Y101-F126 HydrophobicContact CE2-CE2 4.27Å; Y101-F126 AromaticContact CE2-CZ 3.8Å; Y101-F126 HydrophobicContact CE2-CZ 3.8Å; Y101-F126 HydrophobicContact CG-CZ 4.45Å; F104-F126 HydrophobicContact CB-CD1 4.16Å; F104-F126 HydrophobicContact CB-CE1 3.55Å; F104-F126 HydrophobicContact CB-CZ 3.91Å; F104-F126 AromaticContact CD2-CD1 3.96Å; F104-F126 HydrophobicContact CD2-CD1 3.96Å; F104-F126 HydrophobicContact CD2-CD2 4.24Å; F104-F126 HydrophobicContact CD2-CE1 4.03Å; F104-F126 HydrophobicContact CD2-CE2 4.3Å; F104-F126 HydrophobicContact CD2-CG 4.07Å; F104-F126 HydrophobicContact CD2-CZ 4.19Å; F104-F126 HydrophobicContact CG-CE1 4.33Å; T105-F126 HydrophobicContact CG2-CE1 3.92Å; T105-F126 HydrophobicContact CG2-CZ 4.05Å; L120-F126 HydrophobicContact CD1-CD2 4.12Å; L120-F126 HydrophobicContact CD1-CE2 3.87Å; L120-F126 HydrophobicContact CD2-CD2 3.98Å; L120-F126 HydrophobicContact CG-CD2 4.22Å; L120-F126 HydrophobicContact CG-CE2 4.32Å; H123-F126 PolarHBondContact O-N 3.15Å; T124-F126 VanDerWaalsContact C-N 3.27Å; F126-T130 WeakPolarHBondContact CA-OG1 3.39Å; F126-M131 HydrophobicContact CB-CG 4.23Å; F126-M131 HydrophobicContact CD1-CG 4.31Å; F126-M131 HydrophobicContact CD1-SD 3.69Å; F126-M131 HydrophobicContact CE1-SD 4.31Å; F126-M131 HydrophobicContact CG-SD 4.46Å; F126-L165 HydrophobicContact CB-CD1 3.65Å; F126-L165 HydrophobicContact CB-CD2 4.15Å; F126-L165 HydrophobicContact CG-CD1 4.48Å | ||
| 127 | S | 96.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | trans | -143 | 166.8 | 174.6 | 63.1 | 0 | 0 | 0 | 0 | 108.7 | D129 T130 M131 | S127-D129 PolarHBondContact O-N 3.08Å; S127-T130 PolarHBondContact N-OG1 3.39Å; S127-T130 PolarHBondContact O-N 3.41Å; S127-T130 PolarHBondContact O-OG1 3.14Å; S127-T130 PolarHBondContact OG-N 3.28Å; S127-T130 PolarHBondContact OG-OG1 3.4Å; S127-M131 WeakPolarHBondContact O-CB 3.28Å; S127-M131 WeakPolarHBondContact O-CG 3.2Å; S127-M131 PolarHBondContact O-N 3.43Å | ||
| 128 | E | 95.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34 | 175.4 | -71.3 | -165.3 | 79.1 | 0 | 0 | 112.8 | K132 K135 T164 | E128-K132 PolarHBondContact O-N 3.49Å; E128-K132 VanDerWaalsContact O-N 3.15Å; E128-K135 IonicContact OE1-NZ 2.82Å; E128-K135 PolarHBondContact OE1-NZ 3.32Å; E128-T164 HydrophobicContact CG-CG2 4.09Å |
| 129 | D | 95.6 | Very high | 96.9 | Very high | 144 Ų | 144 | 56.4 Ų | 56.4 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -45.1 | 178.7 | -76.3 | -23.4 | 0 | 0 | 0 | 111.8 | S127 M131 K132 | S127-D129 PolarHBondContact O-N 3.08Å; D129-M131 VanDerWaalsContact C-N 3.27Å; D129-M131 PolarHBondContact O-N 3Å; D129-K132 WeakPolarHBondContact O-CB 3.04Å; D129-K132 PolarHBondContact O-N 2.97Å |
| 130 | T | 95.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.8 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | F126 S127 | F126-T130 WeakPolarHBondContact CA-OG1 3.39Å; S127-T130 PolarHBondContact N-OG1 3.39Å; S127-T130 PolarHBondContact O-N 3.41Å; S127-T130 PolarHBondContact O-OG1 3.14Å; S127-T130 PolarHBondContact OG-N 3.28Å; S127-T130 PolarHBondContact OG-OG1 3.4Å |
| 131 | M | 96.6 | Very high | 97 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 5 | -179.9 | -68.3 | -55.3 | -64.4 | 0 | 0 | 114.8 | F104 F126 S127 D129 A133 H134 K135 L165 | F104-M131 HydrophobicContact CB-CE 3.78Å; F104-M131 HydrophobicContact CB-SD 3.81Å; F104-M131 HydrophobicContact CD1-CE 3.31Å; F104-M131 HydrophobicContact CD1-SD 4.43Å; F104-M131 HydrophobicContact CD2-CE 3.43Å; F104-M131 VanDerWaalsContact CD2-CE 3.43Å; F104-M131 HydrophobicContact CD2-SD 3.7Å; F104-M131 HydrophobicContact CE1-CE 3.54Å; F104-M131 HydrophobicContact CE2-CE 3.67Å; F104-M131 HydrophobicContact CE2-SD 4.3Å; F104-M131 HydrophobicContact CG-CE 3.22Å; F104-M131 HydrophobicContact CG-SD 3.76Å; F104-M131 HydrophobicContact CZ-CE 3.71Å; F126-M131 HydrophobicContact CB-CG 4.23Å; F126-M131 HydrophobicContact CD1-CG 4.31Å; F126-M131 HydrophobicContact CD1-SD 3.69Å; F126-M131 HydrophobicContact CE1-SD 4.31Å; F126-M131 HydrophobicContact CG-SD 4.46Å; S127-M131 WeakPolarHBondContact O-CB 3.28Å; S127-M131 WeakPolarHBondContact O-CG 3.2Å; S127-M131 PolarHBondContact O-N 3.43Å; D129-M131 VanDerWaalsContact C-N 3.27Å; D129-M131 PolarHBondContact O-N 3Å; M131-A133 VanDerWaalsContact C-N 3.31Å; M131-A133 PolarHBondContact O-N 2.68Å; M131-A133 VanDerWaalsContact O-N 3.16Å; M131-H134 HydrophobicContact CE-CB 3.49Å; M131-H134 VanDerWaalsContact CE-CB 3.49Å; M131-H134 CarbonylContact O-C 3.41Å; M131-H134 WeakPolarHBondContact O-CA 3.46Å; M131-H134 PolarHBondContact O-N 3.05Å; M131-K135 PolarHBondContact O-N 3.36Å; M131-L165 HydrophobicContact CB-CB 4.33Å; M131-L165 HydrophobicContact CB-CD2 4.27Å; M131-L165 HydrophobicContact CG-CB 4.1Å; M131-L165 HydrophobicContact CG-CD1 4.37Å; M131-L165 HydrophobicContact CG-CD2 3.81Å; M131-L165 HydrophobicContact CG-CG 4.29Å |
| 132 | K | 96 | Very high | 97 | Very high | 167 Ų | 167 | 55.1 Ų | 55.1 | 73% | 0.726 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -41.9 | -175 | -174.5 | 177.2 | -179.1 | 177.3 | 0 | 114.2 | E128 D129 H134 | E128-K132 PolarHBondContact O-N 3.49Å; E128-K132 VanDerWaalsContact O-N 3.15Å; D129-K132 WeakPolarHBondContact O-CB 3.04Å; D129-K132 PolarHBondContact O-N 2.97Å; K132-H134 VanDerWaalsContact C-N 3.29Å; K132-H134 PolarHBondContact O-N 2.99Å |
| 133 | A | 95.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -23.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | M131 | M131-A133 VanDerWaalsContact C-N 3.31Å; M131-A133 PolarHBondContact O-N 2.68Å; M131-A133 VanDerWaalsContact O-N 3.16Å |
| 134 | H | 96.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -0.6 | -175.4 | -60.4 | -96 | 0 | 0 | 0 | 112.6 | A103 Y106 E108 M131 K132 Q136 V137 | A103-H134 PolarHBondContact O-CE1 3.49Å; A103-H134 PolarHBondContact O-ND1 3.02Å; Y106-H134 PolarHBondContact O-CE1 2.93Å; Y106-H134 PolarHBondContact O-NE2 2.71Å; Y106-H134 VanDerWaalsContact O-NE2 3.14Å; E108-H134 PolarHBondContact O-CE1 3.34Å; M131-H134 HydrophobicContact CE-CB 3.49Å; M131-H134 VanDerWaalsContact CE-CB 3.49Å; M131-H134 CarbonylContact O-C 3.41Å; M131-H134 WeakPolarHBondContact O-CA 3.46Å; M131-H134 PolarHBondContact O-N 3.05Å; K132-H134 VanDerWaalsContact C-N 3.29Å; K132-H134 PolarHBondContact O-N 2.99Å; H134-Q136 PolarHBondContact O-N 3.14Å; H134-V137 HydrophobicContact CB-CG2 4.19Å; H134-V137 WeakPolarHBondContact O-CB 3.25Å; H134-V137 WeakPolarHBondContact O-CG2 3.49Å; H134-V137 PolarHBondContact O-N 3.14Å |
| 135 | K | 96.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29 | -174.1 | -174.4 | 160.5 | -173.8 | 155.7 | 0 | 113.7 | E128 M131 C166 S167 | E128-K135 IonicContact OE1-NZ 2.82Å; E128-K135 PolarHBondContact OE1-NZ 3.32Å; M131-K135 PolarHBondContact O-N 3.36Å; K135-C166 CarbonylContact O-C 3.52Å; K135-C166 WeakPolarHBondContact O-CA 3.42Å; K135-S167 PolarHBondContact O-N 2.65Å; K135-S167 PolarHBondContact O-OG 3.06Å |
| 136 | Q | 97.2 | Very high | 97.4 | Very high | 124 Ų | 124 | 48.1 Ų | 48.1 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -1.1 | -179 | -62.5 | -59.5 | -28.7 | 0 | 0 | 114.2 | H134 P138 S167 N168 | H134-Q136 PolarHBondContact O-N 3.14Å; Q136-P138 VanDerWaalsContact O-CD 3.29Å; Q136-P138 WeakPolarHBondContact O-CD 3.17Å; Q136-S167 VanDerWaalsContact CD-OG 3.28Å; Q136-S167 PolarHBondContact NE2-OG 3.01Å; Q136-S167 VanDerWaalsContact NE2-OG 3.14Å; Q136-S167 PolarHBondContact OE1-OG 3.29Å; Q136-N168 PolarHBondContact O-ND2 2.72Å; Q136-N168 PolarHBondContact OE1-ND2 3.25Å; Q136-N168 VanDerWaalsContact OE1-ND2 3.14Å |
| 137 | V | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | trans | -64.5 | 123.4 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 109 | P109 I113 H134 | P109-V137 HydrophobicContact CB-CG2 3.65Å; I113-V137 HydrophobicContact CD1-CG1 4Å; I113-V137 HydrophobicContact CG1-CG1 3.91Å; H134-V137 HydrophobicContact CB-CG2 4.19Å; H134-V137 WeakPolarHBondContact O-CB 3.25Å; H134-V137 WeakPolarHBondContact O-CG2 3.49Å; H134-V137 PolarHBondContact O-N 3.14Å | ||
| 138 | P | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | trans | -64.1 | 135.6 | 174.4 | -22 | 34.3 | 0 | 0 | 0 | 111.5 | A111 G112 I113 Q136 N168 F192 T196 | A111-P138 WeakPolarHBondContact O-CD 3.38Å; G112-P138 CarbonylContact C-O 3.46Å; G112-P138 WeakPolarHBondContact CA-O 3.3Å; I113-P138 PolarHBondContact N-O 3.48Å; Q136-P138 VanDerWaalsContact O-CD 3.29Å; Q136-P138 WeakPolarHBondContact O-CD 3.17Å; P138-N168 HydrophobicContact CB-CB 4.4Å; P138-F192 HydrophobicContact CB-CE2 3.8Å; P138-F192 HydrophobicContact CB-CZ 4.02Å; P138-T196 HydrophobicContact CB-CG2 4.15Å; P138-T196 HydrophobicContact CG-CG2 4.27Å | ||
| 139 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.7 | 176.7 | -51.2 | -178.1 | 0 | 0 | 0 | 108.8 | L100 F104 I113 L162 C166 N168 H169 V170 | L100-I139 HydrophobicContact CD2-CG2 4.33Å; F104-I139 HydrophobicContact CE1-CD1 3.75Å; F104-I139 HydrophobicContact CZ-CD1 3.83Å; I113-I139 HydrophobicContact CB-CG1 4.21Å; I113-I139 HydrophobicContact CB-CG2 4.24Å; I113-I139 HydrophobicContact CD1-CD1 4.08Å; I113-I139 HydrophobicContact CD1-CG1 4.07Å; I113-I139 HydrophobicContact CG1-CG1 4.46Å; I113-I139 WeakPolarHBondContact O-CA 3.4Å; I139-L162 HydrophobicContact CD1-CD2 4.06Å; I139-L162 HydrophobicContact CG2-CD1 4.26Å; I139-C166 HydrophobicContact CD1-CB 3.84Å; I139-C166 HydrophobicContact CG1-CB 4.48Å; I139-N168 PolarHBondContact N-O 3.29Å; I139-H169 HydrophobicContact CB-CB 4.47Å; I139-V170 PolarHBondContact O-N 3.41Å |
| 140 | L | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.5 | 164.9 | 173.8 | 65.7 | 0 | 0 | 0 | 108.6 | I113 L114 A115 V170 K172 C188 V189 F192 | I113-L140 PolarHBondContact O-N 2.82Å; L114-L140 HydrophobicContact CD2-CB 3.99Å; L114-L140 HydrophobicContact CD2-CD2 3.87Å; L114-L140 HydrophobicContact CD2-CG 4.34Å; A115-L140 PolarHBondContact N-O 3.19Å; L140-V170 WeakPolarHBondContact CA-O 3.33Å; L140-K172 HydrophobicContact CD1-CG 3.77Å; L140-C188 HydrophobicContact CD2-CB 4.24Å; L140-V189 HydrophobicContact CD2-CG2 4.29Å; L140-F192 HydrophobicContact CB-CB 4.42Å; L140-F192 HydrophobicContact CB-CD1 4.42Å; L140-F192 HydrophobicContact CB-CD2 3.61Å; L140-F192 HydrophobicContact CB-CE2 3.84Å; L140-F192 HydrophobicContact CB-CG 3.9Å; L140-F192 HydrophobicContact CB-CZ 4.32Å; L140-F192 HydrophobicContact CD2-CB 3.73Å; L140-F192 HydrophobicContact CD2-CD2 4.48Å; L140-F192 HydrophobicContact CD2-CG 4.11Å |
| 141 | Q | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.1 | 167.5 | -172.2 | -177.5 | -1.3 | 0 | 0 | 109.1 | A115 A155 H169 V170 I171 K172 | A115-Q141 HydrophobicContact CB-CB 4.4Å; A115-Q141 HydrophobicContact CB-CG 4.38Å; A115-Q141 CarbonylContact O-C 3.55Å; A115-Q141 VanDerWaalsContact O-CA 3.29Å; A115-Q141 WeakPolarHBondContact O-CA 3.36Å; Q141-A155 PolarHBondContact NE2-O 3.42Å; Q141-H169 PolarHBondContact OE1-NE2 2.97Å; Q141-V170 PolarHBondContact N-O 2.9Å; Q141-I171 HydrophobicContact CB-CB 4.28Å; Q141-I171 HydrophobicContact CB-CG1 4.21Å; Q141-I171 HydrophobicContact CG-CD1 4.2Å; Q141-I171 HydrophobicContact CG-CG1 4.21Å; Q141-I171 CarbonylContact O-C 3.58Å; Q141-I171 VanDerWaalsContact O-CA 3.28Å; Q141-I171 WeakPolarHBondContact O-CA 3.48Å; Q141-K172 PolarHBondContact O-N 3.03Å |
| 142 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.9 | 174.9 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | A115 L116 S117 K172 F174 E185 | A115-C142 PolarHBondContact O-N 3.49Å; L116-C142 HydrophobicContact CD2-CB 3.73Å; S117-C142 PolarHBondContact N-O 2.87Å; C142-K172 CarbonylContact C-O 3.58Å; C142-K172 WeakPolarHBondContact CA-O 3.34Å; C142-F174 HydrophobicContact CB-CE2 3.77Å; C142-E185 HydrophobicContact CB-CG 3.75Å; C142-E185 WeakPolarHBondContact CB-OE1 3.33Å |
| 143 | H | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.8 | -178 | -141.5 | 93.8 | 0 | 0 | 0 | 113.4 | S117 D147 V150 A155 K172 W173 F174 | S117-H143 VanDerWaalsContact C-CE1 3.46Å; S117-H143 WeakPolarHBondContact CA-CE1 3Å; S117-H143 WeakPolarHBondContact CA-ND1 3.4Å; H143-D147 IonicContact NE2-OD2 3.7Å; H143-D147 PolarHBondContact NE2-OD2 2.87Å; H143-V150 PolarHBondContact NE2-O 2.98Å; H143-A155 HydrophobicContact CB-CB 4.11Å; H143-A155 WeakPolarHBondContact CE1-CB 3.48Å; H143-A155 WeakPolarHBondContact ND1-CB 3.42Å; H143-K172 PolarHBondContact N-O 2.82Å; H143-W173 HydrophobicContact CB-CE3 3.86Å; H143-W173 HydrophobicContact CB-CH2 4.28Å; H143-W173 HydrophobicContact CB-CZ3 3.67Å; H143-W173 WeakPolarHBondContact O-CA 3.24Å; H143-F174 PolarHBondContact O-N 2.8Å |
| 144 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A146 D147 M177 | G144-A146 PolarHBondContact O-N 3.05Å; G144-D147 WeakPolarHBondContact O-CB 3.46Å; G144-D147 PolarHBondContact O-N 3.28Å; G144-M177 CarbonylContact C-O 3.5Å; G144-M177 WeakPolarHBondContact CA-O 3.44Å |
| 145 | C | 98.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.1 | 179.7 | -59 | 0 | 0 | 0 | 0 | 113.2 | P152 F174 M177 | C145-P152 WeakPolarHBondContact O-CG 3.22Å; C145-F174 PolarHBondContact N-O 3.29Å; C145-M177 PolarHBondContact N-O 3.39Å |
| 146 | A | 98 | Very high | 97.8 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 40% | 0.397 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 16.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G144 L148 M177 G178 | G144-A146 PolarHBondContact O-N 3.05Å; A146-L148 PolarHBondContact O-N 2.94Å; A146-M177 WeakPolarHBondContact CA-O 3.44Å; A146-M177 WeakPolarHBondContact CB-O 3.28Å; A146-M177 PolarHBondContact N-O 2.93Å; A146-G178 WeakPolarHBondContact O-CA 3.36Å |
| 147 | D | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -68 | 118.4 | 178.7 | -167.9 | -25.3 | 0 | 0 | 0 | 111 | H143 G144 L149 V150 P152 H179 | H143-D147 IonicContact NE2-OD2 3.7Å; H143-D147 PolarHBondContact NE2-OD2 2.87Å; G144-D147 WeakPolarHBondContact O-CB 3.46Å; G144-D147 PolarHBondContact O-N 3.28Å; D147-L149 PolarHBondContact OD1-N 3.33Å; D147-V150 WeakPolarHBondContact CB-O 3.09Å; D147-V150 PolarHBondContact OD1-N 2.96Å; D147-P152 WeakPolarHBondContact O-CD 3.15Å; D147-H179 VanDerWaalsContact CG-ND1 3.35Å; D147-H179 WeakPolarHBondContact OD1-CB 3.33Å; D147-H179 IonicContact OD1-CG 2.72Å; D147-H179 IonicContact OD1-ND1 3.76Å; D147-H179 PolarHBondContact OD1-ND1 3.35Å; D147-H179 IonicContact OD2-CE1 3.21Å; D147-H179 IonicContact OD2-CG 2.76Å; D147-H179 IonicContact OD2-ND1 2.7Å; D147-H179 PolarHBondContact OD2-ND1 3.1Å | ||
| 148 | L | 96.4 | Very high | 97.9 | Very high | 164 Ų | 164 | 37.1 Ų | 37.1 | 86% | 0.859 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -99.5 | -4 | -179.5 | -58.4 | -178.2 | 0 | 0 | 0 | 113.2 | A146 | A146-L148 PolarHBondContact O-N 2.94Š|
| 149 | L | 96 | Very high | 97.9 | Very high | 102 Ų | 102 | 35.6 Ų | 35.6 | 53% | 0.534 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -102.3 | -58.3 | 179.3 | -68.4 | 178.3 | 0 | 0 | 0 | 110.7 | D147 H179 | D147-L149 PolarHBondContact OD1-N 3.33Å; L149-H179 HydrophobicContact CB-CB 4.18Å; L149-H179 HydrophobicContact CD1-CB 3.95Å; L149-H179 HydrophobicContact CG-CB 4.27Å |
| 150 | V | 97 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -104.1 | 95.9 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | W119 H143 D147 V154 | W119-V150 HydrophobicContact CE3-CG1 4.48Å; W119-V150 HydrophobicContact CE3-CG2 4.19Å; W119-V150 HydrophobicContact CZ3-CG2 4.17Å; H143-V150 PolarHBondContact NE2-O 2.98Å; D147-V150 WeakPolarHBondContact CB-O 3.09Å; D147-V150 PolarHBondContact OD1-N 2.96Å; V150-V154 HydrophobicContact CG1-CB 4.19Å; V150-V154 HydrophobicContact CG1-CG1 3.87Å |
| 151 | S | 96.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -60.5 | 152.3 | -169.6 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | E153 V154 A155 | S151-E153 PolarHBondContact O-N 3.14Å; S151-V154 WeakPolarHBondContact O-CB 3.46Å; S151-V154 PolarHBondContact O-N 3.26Å; S151-V154 WeakPolarHBondContact OG-CG2 3.41Å; S151-V154 PolarHBondContact OG-N 3.14Å; S151-A155 PolarHBondContact O-N 3.33Å; S151-A155 VanDerWaalsContact O-N 3.14Å | ||
| 152 | P | 97.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.2 | -25.4 | 171.7 | -29 | 35.8 | 0 | 0 | 0 | 113.9 | C145 D147 S156 W173 | C145-P152 WeakPolarHBondContact O-CG 3.22Å; D147-P152 WeakPolarHBondContact O-CD 3.15Å; P152-S156 VanDerWaalsContact O-CB 3.29Å; P152-S156 WeakPolarHBondContact O-CB 3.24Å; P152-S156 PolarHBondContact O-N 3.21Å; P152-S156 PolarHBondContact O-OG 3.41Å; P152-W173 HydrophobicContact CB-CH2 4.18Å; P152-W173 HydrophobicContact CB-CZ3 3.86Å; P152-W173 WeakPolarHBondContact O-CH2 3.26Å |
| 153 | E | 97.2 | Very high | 97.6 | Very high | 148 Ų | 148 | 43.9 Ų | 43.9 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.7 | -44.4 | 174.6 | -176.2 | -178.8 | -179 | 0 | 0 | 112.2 | S151 A155 S156 T157 | S151-E153 PolarHBondContact O-N 3.14Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.47Å; E153-S156 PolarHBondContact O-N 3.29Å; E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 2.88Å; E153-T157 PolarHBondContact O-OG1 3.32Å |
| 154 | V | 97.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V54 W119 V150 S151 T157 T158 | V54-V154 HydrophobicContact CG2-CB 4.28Å; V54-V154 HydrophobicContact CG2-CG1 4.29Å; V54-V154 HydrophobicContact CG2-CG2 3.97Å; W119-V154 HydrophobicContact CB-CG1 3.69Å; V150-V154 HydrophobicContact CG1-CB 4.19Å; V150-V154 HydrophobicContact CG1-CG1 3.87Å; S151-V154 WeakPolarHBondContact O-CB 3.46Å; S151-V154 PolarHBondContact O-N 3.26Å; S151-V154 WeakPolarHBondContact OG-CG2 3.41Å; S151-V154 PolarHBondContact OG-N 3.14Å; V154-T157 PolarHBondContact O-N 3.11Å; V154-T158 WeakPolarHBondContact O-CB 3.47Å; V154-T158 PolarHBondContact O-N 3.48Å; V154-T158 PolarHBondContact O-OG1 3.18Å |
| 155 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q141 H143 S151 E153 T157 T158 A159 W173 | Q141-A155 PolarHBondContact NE2-O 3.42Å; H143-A155 HydrophobicContact CB-CB 4.11Å; H143-A155 WeakPolarHBondContact CE1-CB 3.48Å; H143-A155 WeakPolarHBondContact ND1-CB 3.42Å; S151-A155 PolarHBondContact O-N 3.33Å; S151-A155 VanDerWaalsContact O-N 3.14Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.47Å; A155-T157 VanDerWaalsContact C-N 3.34Å; A155-T158 WeakPolarHBondContact O-CB 3.3Å; A155-T158 PolarHBondContact O-N 2.88Å; A155-A159 WeakPolarHBondContact O-CB 3.4Å; A155-A159 PolarHBondContact O-N 2.99Å; A155-W173 HydrophobicContact CB-CH2 3.69Å; A155-W173 HydrophobicContact CB-CZ3 4.21Å |
| 156 | S | 98.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | P152 E153 A159 G160 W173 | P152-S156 VanDerWaalsContact O-CB 3.29Å; P152-S156 WeakPolarHBondContact O-CB 3.24Å; P152-S156 PolarHBondContact O-N 3.21Å; P152-S156 PolarHBondContact O-OG 3.41Å; E153-S156 PolarHBondContact O-N 3.29Å; S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.47Å; S156-G160 PolarHBondContact O-N 3.43Å; S156-W173 WeakPolarHBondContact OG-CH2 3.41Å; S156-W173 WeakPolarHBondContact OG-CZ2 3.44Å |
| 157 | T | 97.7 | Very high | 97.2 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | V54 E153 V154 A155 A159 G160 M161 | V54-T157 HydrophobicContact CG1-CG2 3.96Å; V54-T157 HydrophobicContact CG2-CG2 4.02Å; E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 2.88Å; E153-T157 PolarHBondContact O-OG1 3.32Å; V154-T157 PolarHBondContact O-N 3.11Å; A155-T157 VanDerWaalsContact C-N 3.34Å; T157-A159 VanDerWaalsContact C-N 3.33Å; T157-A159 PolarHBondContact O-N 3.28Å; T157-G160 PolarHBondContact O-N 2.92Å; T157-M161 HydrophobicContact CG2-CE 3.62Å; T157-M161 WeakPolarHBondContact O-CG 3.34Å; T157-M161 PolarHBondContact O-N 2.86Å |
| 158 | T | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 173.4 | -62 | 0 | 0 | 0 | 0 | 110.8 | L100 W119 L120 V154 A155 G160 M161 L162 | L100-T158 HydrophobicContact CD1-CG2 4.43Å; W119-T158 WeakPolarHBondContact CA-OG1 3.4Å; L120-T158 HydrophobicContact CB-CG2 3.95Å; L120-T158 PolarHBondContact N-OG1 3.23Å; V154-T158 WeakPolarHBondContact O-CB 3.47Å; V154-T158 PolarHBondContact O-N 3.48Å; V154-T158 PolarHBondContact O-OG1 3.18Å; A155-T158 WeakPolarHBondContact O-CB 3.3Å; A155-T158 PolarHBondContact O-N 2.88Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 3.47Å; T158-M161 WeakPolarHBondContact O-CB 3.34Å; T158-M161 PolarHBondContact O-N 3.4Å; T158-M161 VanDerWaalsContact O-N 3.12Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.15Å; T158-L162 VanDerWaalsContact O-CG 3.32Å; T158-L162 WeakPolarHBondContact O-CG 3.41Å; T158-L162 PolarHBondContact O-N 2.79Å |
| 159 | A | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A155 S156 T157 M161 L162 D163 I171 | A155-A159 WeakPolarHBondContact O-CB 3.4Å; A155-A159 PolarHBondContact O-N 2.99Å; S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.47Å; T157-A159 VanDerWaalsContact C-N 3.33Å; T157-A159 PolarHBondContact O-N 3.28Å; A159-M161 VanDerWaalsContact C-N 3.31Å; A159-M161 PolarHBondContact O-N 2.84Å; A159-L162 PolarHBondContact O-N 3.13Å; A159-D163 WeakPolarHBondContact O-CB 3.37Å; A159-D163 PolarHBondContact O-N 3.45Å; A159-I171 HydrophobicContact CB-CD1 3.76Å |
| 160 | G | 97.9 | Very high | 97.4 | Very high | 36 Ų | 36 | 41 Ų | 41 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.7 | -34.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S156 T157 T158 T164 | S156-G160 PolarHBondContact O-N 3.43Å; T157-G160 PolarHBondContact O-N 2.92Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 3.47Å; G160-T164 PolarHBondContact O-N 3.01Å; G160-T164 PolarHBondContact O-OG1 3.16Å |
| 161 | M | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 43 Ų | 43 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -47.8 | 171.6 | -63.8 | 166.4 | -178.8 | 0 | 0 | 110.6 | V54 L120 H123 T157 T158 A159 D163 T164 L165 | V54-M161 HydrophobicContact CG1-CE 4.42Å; L120-M161 HydrophobicContact CD2-CB 4.39Å; H123-M161 HydrophobicContact CB-CE 4.22Å; H123-M161 HydrophobicContact CB-SD 3.61Å; H123-M161 WeakPolarHBondContact ND1-CE 3.46Å; T157-M161 HydrophobicContact CG2-CE 3.62Å; T157-M161 WeakPolarHBondContact O-CG 3.34Å; T157-M161 PolarHBondContact O-N 2.86Å; T158-M161 WeakPolarHBondContact O-CB 3.34Å; T158-M161 PolarHBondContact O-N 3.4Å; T158-M161 VanDerWaalsContact O-N 3.12Å; A159-M161 VanDerWaalsContact C-N 3.31Å; A159-M161 PolarHBondContact O-N 2.84Å; M161-D163 PolarHBondContact O-N 3.11Å; M161-T164 WeakPolarHBondContact O-CB 3.27Å; M161-T164 PolarHBondContact O-N 3.26Å; M161-T164 VanDerWaalsContact O-N 3.09Å; M161-L165 VanDerWaalsContact O-CG 3.26Å; M161-L165 WeakPolarHBondContact O-CG 3.36Å; M161-L165 PolarHBondContact O-N 3.33Å |
| 162 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | -179.8 | -64.1 | 178.1 | 0 | 0 | 0 | 112.6 | L100 F104 L120 I139 T158 A159 T164 L165 C166 H169 | L100-L162 HydrophobicContact CD2-CD1 4.22Å; L100-L162 HydrophobicContact CD2-CD2 3.94Å; F104-L162 HydrophobicContact CE2-CD2 3.87Å; F104-L162 HydrophobicContact CZ-CD2 3.51Å; L120-L162 HydrophobicContact CD2-CD2 4.47Å; I139-L162 HydrophobicContact CD1-CD2 4.06Å; I139-L162 HydrophobicContact CG2-CD1 4.26Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.15Å; T158-L162 VanDerWaalsContact O-CG 3.32Å; T158-L162 WeakPolarHBondContact O-CG 3.41Å; T158-L162 PolarHBondContact O-N 2.79Å; A159-L162 PolarHBondContact O-N 3.13Å; L162-T164 PolarHBondContact O-N 3.25Å; L162-L165 PolarHBondContact O-N 2.88Å; L162-C166 PolarHBondContact O-N 2.8Å; L162-H169 HydrophobicContact CB-CB 4.33Å |
| 163 | D | 97.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.1 | -33.7 | 173.6 | -78.2 | -23.9 | 0 | 0 | 0 | 112.4 | A159 M161 H169 | A159-D163 WeakPolarHBondContact O-CB 3.37Å; A159-D163 PolarHBondContact O-N 3.45Å; M161-D163 PolarHBondContact O-N 3.11Å; D163-H169 IonicContact OD1-CE1 2.68Å; D163-H169 IonicContact OD1-CG 3.48Å; D163-H169 IonicContact OD1-ND1 2.65Å; D163-H169 PolarHBondContact OD1-ND1 3.17Å |
| 164 | T | 96.7 | Very high | 97.6 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -76.7 | -40.1 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | E128 G160 M161 L162 | E128-T164 HydrophobicContact CG-CG2 4.09Å; G160-T164 PolarHBondContact O-N 3.01Å; G160-T164 PolarHBondContact O-OG1 3.16Å; M161-T164 WeakPolarHBondContact O-CB 3.27Å; M161-T164 PolarHBondContact O-N 3.26Å; M161-T164 VanDerWaalsContact O-N 3.09Å; L162-T164 PolarHBondContact O-N 3.25Å |
| 165 | L | 97.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.7 | -31.9 | -171.9 | -62.7 | 173.6 | 0 | 0 | 0 | 113.5 | F104 L120 F126 M131 M161 L162 | F104-L165 HydrophobicContact CE2-CD1 3.85Å; L120-L165 HydrophobicContact CD2-CD1 4.04Å; F126-L165 HydrophobicContact CB-CD1 3.65Å; F126-L165 HydrophobicContact CB-CD2 4.15Å; F126-L165 HydrophobicContact CG-CD1 4.48Å; M131-L165 HydrophobicContact CB-CB 4.33Å; M131-L165 HydrophobicContact CB-CD2 4.27Å; M131-L165 HydrophobicContact CG-CB 4.1Å; M131-L165 HydrophobicContact CG-CD1 4.37Å; M131-L165 HydrophobicContact CG-CD2 3.81Å; M131-L165 HydrophobicContact CG-CG 4.29Å; M161-L165 VanDerWaalsContact O-CG 3.26Å; M161-L165 WeakPolarHBondContact O-CG 3.36Å; M161-L165 PolarHBondContact O-N 3.33Å; L162-L165 PolarHBondContact O-N 2.88Å |
| 166 | C | 96.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | trans | -135.4 | 124 | -171.7 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | K135 I139 L162 N168 | K135-C166 CarbonylContact O-C 3.52Å; K135-C166 WeakPolarHBondContact O-CA 3.42Å; I139-C166 HydrophobicContact CD1-CB 3.84Å; I139-C166 HydrophobicContact CG1-CB 4.48Å; L162-C166 PolarHBondContact O-N 2.8Å; C166-N168 VanDerWaalsContact C-N 3.27Å; C166-N168 PolarHBondContact O-N 2.92Å | ||
| 167 | S | 94.1 | Very high | 97.5 | Very high | 62 Ų | 62 | 53 Ų | 53 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -14.6 | -175.7 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | K135 Q136 | K135-S167 PolarHBondContact O-N 2.65Å; K135-S167 PolarHBondContact O-OG 3.06Å; Q136-S167 VanDerWaalsContact CD-OG 3.28Å; Q136-S167 PolarHBondContact NE2-OG 3.01Å; Q136-S167 VanDerWaalsContact NE2-OG 3.14Å; Q136-S167 PolarHBondContact OE1-OG 3.29Å |
| 168 | N | 97.1 | Very high | 97.5 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 31.1 | -177 | -61.6 | -34.4 | 0 | 0 | 0 | 111.9 | Q136 P138 I139 C166 | Q136-N168 PolarHBondContact O-ND2 2.72Å; Q136-N168 PolarHBondContact OE1-ND2 3.25Å; Q136-N168 VanDerWaalsContact OE1-ND2 3.14Å; P138-N168 HydrophobicContact CB-CB 4.4Å; I139-N168 PolarHBondContact N-O 3.29Å; C166-N168 VanDerWaalsContact C-N 3.27Å; C166-N168 PolarHBondContact O-N 2.92Å |
| 169 | H | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.8 | 174 | 171.1 | -117.1 | 0 | 0 | 0 | 111.2 | I139 Q141 L162 D163 | I139-H169 HydrophobicContact CB-CB 4.47Å; Q141-H169 PolarHBondContact OE1-NE2 2.97Å; L162-H169 HydrophobicContact CB-CB 4.33Å; D163-H169 IonicContact OD1-CE1 2.68Å; D163-H169 IonicContact OD1-CG 3.48Å; D163-H169 IonicContact OD1-ND1 2.65Å; D163-H169 PolarHBondContact OD1-ND1 3.17Å |
| 170 | V | 98.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 42% | 0.418 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.8 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | I139 L140 Q141 K172 | I139-V170 PolarHBondContact O-N 3.41Å; L140-V170 WeakPolarHBondContact CA-O 3.33Å; Q141-V170 PolarHBondContact N-O 2.9Å; V170-K172 HydrophobicContact CG1-CD 4.41Å |
| 171 | I | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.5 | 170.3 | -172.5 | 165 | 0 | 0 | 0 | 112.1 | Q141 A159 W173 | Q141-I171 HydrophobicContact CB-CB 4.28Å; Q141-I171 HydrophobicContact CB-CG1 4.21Å; Q141-I171 HydrophobicContact CG-CD1 4.2Å; Q141-I171 HydrophobicContact CG-CG1 4.21Å; Q141-I171 CarbonylContact O-C 3.58Å; Q141-I171 VanDerWaalsContact O-CA 3.28Å; Q141-I171 WeakPolarHBondContact O-CA 3.48Å; A159-I171 HydrophobicContact CB-CD1 3.76Å; I171-W173 HydrophobicContact CD1-CD2 4.37Å; I171-W173 VanDerWaalsContact CD1-CE2 3.47Å; I171-W173 HydrophobicContact CD1-CH2 4.2Å; I171-W173 HydrophobicContact CD1-CZ2 3.38Å; I171-W173 HydrophobicContact CG1-CZ2 4.39Å |
| 172 | K | 98.7 | Very high | 97.2 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.8 | 172.6 | -61.5 | -61.9 | -177 | -173.8 | 0 | 110.5 | L140 Q141 C142 H143 V170 F174 | L140-K172 HydrophobicContact CD1-CG 3.77Å; Q141-K172 PolarHBondContact O-N 3.03Å; C142-K172 CarbonylContact C-O 3.58Å; C142-K172 WeakPolarHBondContact CA-O 3.34Å; H143-K172 PolarHBondContact N-O 2.82Å; V170-K172 HydrophobicContact CG1-CD 4.41Å; K172-F174 HydrophobicContact CB-CE2 3.81Å; K172-F174 HydrophobicContact CB-CZ 3.92Å |
| 173 | W | 98.6 | Very high | 97 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.6 | -179.7 | -68.4 | 99.8 | 0 | 0 | 0 | 111.1 | H143 P152 A155 S156 I171 | H143-W173 HydrophobicContact CB-CE3 3.86Å; H143-W173 HydrophobicContact CB-CH2 4.28Å; H143-W173 HydrophobicContact CB-CZ3 3.67Å; H143-W173 WeakPolarHBondContact O-CA 3.24Å; P152-W173 HydrophobicContact CB-CH2 4.18Å; P152-W173 HydrophobicContact CB-CZ3 3.86Å; P152-W173 WeakPolarHBondContact O-CH2 3.26Å; A155-W173 HydrophobicContact CB-CH2 3.69Å; A155-W173 HydrophobicContact CB-CZ3 4.21Å; S156-W173 WeakPolarHBondContact OG-CH2 3.41Å; S156-W173 WeakPolarHBondContact OG-CZ2 3.44Å; I171-W173 HydrophobicContact CD1-CD2 4.37Å; I171-W173 VanDerWaalsContact CD1-CE2 3.47Å; I171-W173 HydrophobicContact CD1-CH2 4.2Å; I171-W173 HydrophobicContact CD1-CZ2 3.38Å; I171-W173 HydrophobicContact CG1-CZ2 4.39Å |
| 174 | F | 98.5 | Very high | 97 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 101.8 | -178.4 | -61.8 | -83.1 | 0 | 0 | 0 | 110 | C142 H143 C145 K172 Q176 M177 Q184 E185 | C142-F174 HydrophobicContact CB-CE2 3.77Å; H143-F174 PolarHBondContact O-N 2.8Å; C145-F174 PolarHBondContact N-O 3.29Å; K172-F174 HydrophobicContact CB-CE2 3.81Å; K172-F174 HydrophobicContact CB-CZ 3.92Å; F174-Q176 VanDerWaalsContact C-N 3.34Å; F174-Q176 PolarHBondContact O-N 3.32Å; F174-Q176 VanDerWaalsContact O-N 3.14Å; F174-M177 HydrophobicContact CB-CB 3.64Å; F174-M177 HydrophobicContact CB-CE 4.05Å; F174-M177 HydrophobicContact CB-SD 4.11Å; F174-M177 HydrophobicContact CD2-CE 3.79Å; F174-M177 HydrophobicContact CD2-SD 4.44Å; F174-M177 HydrophobicContact CG-CE 4.15Å; F174-M177 HydrophobicContact CG-SD 4.29Å; F174-M177 PolarHBondContact O-N 2.93Å; F174-M177 VanDerWaalsContact O-N 3.14Å; F174-Q184 HydrophobicContact CD1-CB 4.03Å; F174-Q184 HydrophobicContact CE1-CB 3.77Å; F174-E185 HydrophobicContact CD1-CB 4.44Å; F174-E185 HydrophobicContact CD2-CB 4.31Å; F174-E185 HydrophobicContact CE1-CB 3.98Å; F174-E185 VanDerWaalsContact CE1-N 3.33Å; F174-E185 HydrophobicContact CE2-CB 3.85Å; F174-E185 HydrophobicContact CE2-CG 3.93Å; F174-E185 HydrophobicContact CZ-CB 3.68Å; F174-E185 HydrophobicContact CZ-CG 4.1Å |
| 175 | P | 97.2 | Very high | 97 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -35.5 | -165.5 | -31.2 | 36.5 | 0 | 0 | 0 | 116.8 | ||
| 176 | Q | 96 | Very high | 97 | Very high | 187 Ų | 187 | 60 Ų | 60 | 87% | 0.874 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -5.4 | -176.1 | -61.6 | 179.2 | 18.6 | 0 | 0 | 113.1 | F174 | F174-Q176 VanDerWaalsContact C-N 3.34Å; F174-Q176 PolarHBondContact O-N 3.32Å; F174-Q176 VanDerWaalsContact O-N 3.14Å |
| 177 | M | 98 | Very high | 97 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.064 | 35% | 0.346 | C | S | . | . | trans | -80.5 | 129.6 | -175.3 | -169.3 | 173.2 | 83.2 | 0 | 0 | 109.7 | G144 C145 A146 F174 C182 E185 | G144-M177 CarbonylContact C-O 3.5Å; G144-M177 WeakPolarHBondContact CA-O 3.44Å; C145-M177 PolarHBondContact N-O 3.39Å; A146-M177 WeakPolarHBondContact CA-O 3.44Å; A146-M177 WeakPolarHBondContact CB-O 3.28Å; A146-M177 PolarHBondContact N-O 2.93Å; F174-M177 HydrophobicContact CB-CB 3.64Å; F174-M177 HydrophobicContact CB-CE 4.05Å; F174-M177 HydrophobicContact CB-SD 4.11Å; F174-M177 HydrophobicContact CD2-CE 3.79Å; F174-M177 HydrophobicContact CD2-SD 4.44Å; F174-M177 HydrophobicContact CG-CE 4.15Å; F174-M177 HydrophobicContact CG-SD 4.29Å; F174-M177 PolarHBondContact O-N 2.93Å; F174-M177 VanDerWaalsContact O-N 3.14Å; M177-C182 HydrophobicContact SD-CB 4.01Å; M177-C182 VanDerWaalsContact SD-SG 3.65Å; M177-E185 HydrophobicContact SD-CB 4.49Å | ||
| 178 | G | 98 | Very high | 97.2 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 24% | 0.237 | 34% | 0.336 | C | S | . | . | trans | -84.4 | -146.3 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | A146 S180 | A146-G178 WeakPolarHBondContact O-CA 3.36Å; G178-S180 PolarHBondContact O-N 3.24Å | ||
| 179 | H | 97.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -77.6 | 70.8 | 170.6 | -158.6 | 65.7 | 0 | 0 | 0 | 110.8 | F92 S93 D147 L149 | F92-H179 AromaticContact CE1-CD2 3.79Å; F92-H179 AromaticContact CE1-NE2 3.51Å; F92-H179 AromaticContact CZ-CD2 3.59Å; F92-H179 AromaticContact CZ-CE1 3.84Å; F92-H179 AromaticContact CZ-CG 3.94Å; F92-H179 AromaticContact CZ-NE2 3.56Å; S93-H179 VanDerWaalsContact CB-NE2 3.27Å; S93-H179 WeakPolarHBondContact CB-NE2 3.49Å; S93-H179 PolarHBondContact OG-CE1 3.23Å; S93-H179 VanDerWaalsContact OG-CE1 3.29Å; S93-H179 PolarHBondContact OG-NE2 3.36Å; D147-H179 VanDerWaalsContact CG-ND1 3.35Å; D147-H179 WeakPolarHBondContact OD1-CB 3.33Å; D147-H179 IonicContact OD1-CG 2.72Å; D147-H179 IonicContact OD1-ND1 3.76Å; D147-H179 PolarHBondContact OD1-ND1 3.35Å; D147-H179 IonicContact OD2-CE1 3.21Å; D147-H179 IonicContact OD2-CG 2.76Å; D147-H179 IonicContact OD2-ND1 2.7Å; D147-H179 PolarHBondContact OD2-ND1 3.1Å; L149-H179 HydrophobicContact CB-CB 4.18Å; L149-H179 HydrophobicContact CD1-CB 3.95Å; L149-H179 HydrophobicContact CG-CB 4.27Å |
| 180 | S | 96.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -154.7 | -169.3 | -174.5 | -160.2 | 0 | 0 | 0 | 0 | 110.5 | G178 | G178-S180 PolarHBondContact O-N 3.24Š|
| 181 | A | 94.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | trans | -119.5 | 160.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | M14 E185 | M14-A181 HydrophobicContact CE-CB 3.94Å; M14-A181 HydrophobicContact SD-CB 4.12Å; A181-E185 VanDerWaalsContact CA-OE2 3.26Å; A181-E185 WeakPolarHBondContact CA-OE2 3.28Å; A181-E185 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 182 | C | 94.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 61 Ų | 61 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | trans | -142.1 | 165.5 | 175 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | M177 Q184 E185 L186 | M177-C182 HydrophobicContact SD-CB 4.01Å; M177-C182 VanDerWaalsContact SD-SG 3.65Å; C182-Q184 PolarHBondContact O-N 3.01Å; C182-Q184 PolarHBondContact SG-OE1 2.88Å; C182-E185 WeakPolarHBondContact O-CB 3.28Å; C182-E185 PolarHBondContact O-N 2.92Å; C182-E185 PolarHBondContact SG-N 2.7Å; C182-E185 VanDerWaalsContact SG-N 3.41Å; C182-L186 PolarHBondContact O-N 3Å | ||
| 183 | D | 94.3 | Very high | 97.1 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.4 | -34.6 | -178.5 | -65.6 | -18.3 | 0 | 0 | 0 | 112.5 | L186 A187 | D183-L186 PolarHBondContact O-N 2.87Å; D183-A187 WeakPolarHBondContact O-CB 3.35Å; D183-A187 PolarHBondContact O-N 2.93Å |
| 184 | Q | 96.8 | Very high | 97.1 | Very high | 127 Ų | 127 | 55.9 Ų | 55.9 | 59% | 0.593 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 176.1 | -61.3 | 87.1 | -12.3 | 0 | 0 | 112 | F174 C182 C188 | F174-Q184 HydrophobicContact CD1-CB 4.03Å; F174-Q184 HydrophobicContact CE1-CB 3.77Å; C182-Q184 PolarHBondContact O-N 3.01Å; C182-Q184 PolarHBondContact SG-OE1 2.88Å; Q184-C188 PolarHBondContact O-N 2.98Å; Q184-C188 PolarHBondContact O-SG 3.4Å |
| 185 | E | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 172.8 | -177.1 | -174.5 | -126.1 | 0 | 0 | 110.1 | C142 F174 M177 A181 C182 A187 C188 V189 | C142-E185 HydrophobicContact CB-CG 3.75Å; C142-E185 WeakPolarHBondContact CB-OE1 3.33Å; F174-E185 HydrophobicContact CD1-CB 4.44Å; F174-E185 HydrophobicContact CD2-CB 4.31Å; F174-E185 HydrophobicContact CE1-CB 3.98Å; F174-E185 VanDerWaalsContact CE1-N 3.33Å; F174-E185 HydrophobicContact CE2-CB 3.85Å; F174-E185 HydrophobicContact CE2-CG 3.93Å; F174-E185 HydrophobicContact CZ-CB 3.68Å; F174-E185 HydrophobicContact CZ-CG 4.1Å; M177-E185 HydrophobicContact SD-CB 4.49Å; A181-E185 VanDerWaalsContact CA-OE2 3.26Å; A181-E185 WeakPolarHBondContact CA-OE2 3.28Å; A181-E185 WeakPolarHBondContact CB-OE2 3.45Å; C182-E185 WeakPolarHBondContact O-CB 3.28Å; C182-E185 PolarHBondContact O-N 2.92Å; C182-E185 PolarHBondContact SG-N 2.7Å; C182-E185 VanDerWaalsContact SG-N 3.41Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.3Å; E185-C188 WeakPolarHBondContact O-CA 3.36Å; E185-C188 WeakPolarHBondContact O-CB 3.35Å; E185-C188 PolarHBondContact O-N 3.48Å; E185-V189 WeakPolarHBondContact O-CG2 3.39Å; E185-V189 PolarHBondContact O-N 3.17Å |
| 186 | L | 96.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 178.2 | -175.3 | 59.4 | 0 | 0 | 0 | 112.1 | M14 A17 I18 C182 D183 C188 V189 E190 | M14-L186 HydrophobicContact CE-CB 4.17Å; M14-L186 HydrophobicContact CE-CD1 3.6Å; M14-L186 HydrophobicContact CE-CG 4.36Å; M14-L186 HydrophobicContact CG-CD1 3.8Å; M14-L186 HydrophobicContact CG-CD2 4.1Å; A17-L186 HydrophobicContact CB-CD2 4.32Å; I18-L186 HydrophobicContact CB-CD1 4.47Å; I18-L186 HydrophobicContact CD1-CD1 3.47Å; I18-L186 VanDerWaalsContact CD1-CD1 3.47Å; I18-L186 HydrophobicContact CD1-CG 4.41Å; I18-L186 HydrophobicContact CG1-CD1 3.82Å; I18-L186 HydrophobicContact CG2-CD1 3.85Å; I18-L186 HydrophobicContact CG2-CD2 4.06Å; I18-L186 HydrophobicContact CG2-CG 3.66Å; C182-L186 PolarHBondContact O-N 3Å; D183-L186 PolarHBondContact O-N 2.87Å; L186-C188 VanDerWaalsContact C-N 3.34Å; L186-C188 PolarHBondContact O-N 3.21Å; L186-V189 WeakPolarHBondContact O-CB 3.49Å; L186-V189 PolarHBondContact O-N 2.88Å; L186-E190 PolarHBondContact O-N 3.48Å |
| 187 | A | 97.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D183 E185 S191 | D183-A187 WeakPolarHBondContact O-CB 3.35Å; D183-A187 PolarHBondContact O-N 2.93Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.3Å; A187-S191 WeakPolarHBondContact O-CB 3.38Å; A187-S191 PolarHBondContact O-N 2.98Å |
| 188 | C | 98 | Very high | 97.1 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 24% | 0.243 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | L140 Q184 E185 L186 S191 F192 | L140-C188 HydrophobicContact CD2-CB 4.24Å; Q184-C188 PolarHBondContact O-N 2.98Å; Q184-C188 PolarHBondContact O-SG 3.4Å; E185-C188 WeakPolarHBondContact O-CA 3.36Å; E185-C188 WeakPolarHBondContact O-CB 3.35Å; E185-C188 PolarHBondContact O-N 3.48Å; L186-C188 VanDerWaalsContact C-N 3.34Å; L186-C188 PolarHBondContact O-N 3.21Å; C188-S191 PolarHBondContact O-N 3.34Å; C188-F192 WeakPolarHBondContact O-CB 3.45Å; C188-F192 PolarHBondContact O-N 3.24Å |
| 189 | V | 98 | Very high | 97 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111 | F15 I18 L114 L116 L140 E185 L186 S191 F192 L193 | F15-V189 HydrophobicContact CE1-CG1 3.97Å; I18-V189 HydrophobicContact CD1-CB 4.43Å; I18-V189 HydrophobicContact CD1-CG1 3.9Å; L114-V189 HydrophobicContact CD1-CG1 3.74Å; L114-V189 HydrophobicContact CD2-CG1 4.27Å; L114-V189 HydrophobicContact CD2-CG2 4.32Å; L116-V189 HydrophobicContact CD2-CG2 4.06Å; L140-V189 HydrophobicContact CD2-CG2 4.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.39Å; E185-V189 PolarHBondContact O-N 3.17Å; L186-V189 WeakPolarHBondContact O-CB 3.49Å; L186-V189 PolarHBondContact O-N 2.88Å; V189-S191 PolarHBondContact O-N 2.61Å; V189-F192 PolarHBondContact O-N 2.76Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 HydrophobicContact CG1-CG 4.33Å; V189-L193 WeakPolarHBondContact O-CB 3.34Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.39Å; V189-L193 PolarHBondContact O-N 2.96Å |
| 190 | E | 97.7 | Very high | 96.4 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58 | -49.3 | 176 | -176.7 | 176.7 | -147.7 | 0 | 0 | 111.8 | I18 L186 F192 L193 A194 | I18-E190 HydrophobicContact CB-CB 3.97Å; I18-E190 HydrophobicContact CB-CG 3.98Å; I18-E190 HydrophobicContact CD1-CB 4.12Å; I18-E190 HydrophobicContact CG2-CB 3.9Å; I18-E190 HydrophobicContact CG2-CG 4.16Å; L186-E190 PolarHBondContact O-N 3.48Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.47Å; E190-L193 PolarHBondContact O-N 3.09Å; E190-A194 WeakPolarHBondContact O-CB 3.38Å; E190-A194 PolarHBondContact O-N 2.94Å |
| 191 | S | 98 | Very high | 96.4 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -40 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | A187 C188 V189 T195 | A187-S191 WeakPolarHBondContact O-CB 3.38Å; A187-S191 PolarHBondContact O-N 2.98Å; C188-S191 PolarHBondContact O-N 3.34Å; V189-S191 PolarHBondContact O-N 2.61Å; S191-T195 PolarHBondContact O-N 3Å; S191-T195 VanDerWaalsContact O-N 3.15Å; S191-T195 PolarHBondContact O-OG1 3.04Å |
| 192 | F | 98.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 175.1 | 178.5 | -95.5 | 0 | 0 | 0 | 111.2 | V88 L114 P138 L140 C188 V189 E190 A194 T195 T196 | V88-F192 HydrophobicContact CG1-CE1 4.16Å; L114-F192 HydrophobicContact CD2-CB 4.47Å; L114-F192 HydrophobicContact CD2-CD1 3.37Å; L114-F192 HydrophobicContact CD2-CE1 3.7Å; L114-F192 HydrophobicContact CD2-CG 4.04Å; L114-F192 HydrophobicContact CG-CD1 4.11Å; L114-F192 HydrophobicContact CG-CE1 4.09Å; P138-F192 HydrophobicContact CB-CE2 3.8Å; P138-F192 HydrophobicContact CB-CZ 4.02Å; L140-F192 HydrophobicContact CB-CB 4.42Å; L140-F192 HydrophobicContact CB-CD1 4.42Å; L140-F192 HydrophobicContact CB-CD2 3.61Å; L140-F192 HydrophobicContact CB-CE2 3.84Å; L140-F192 HydrophobicContact CB-CG 3.9Å; L140-F192 HydrophobicContact CB-CZ 4.32Å; L140-F192 HydrophobicContact CD2-CB 3.73Å; L140-F192 HydrophobicContact CD2-CD2 4.48Å; L140-F192 HydrophobicContact CD2-CG 4.11Å; C188-F192 WeakPolarHBondContact O-CB 3.45Å; C188-F192 PolarHBondContact O-N 3.24Å; V189-F192 PolarHBondContact O-N 2.76Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.47Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.13Å; F192-T195 WeakPolarHBondContact O-CB 3.37Å; F192-T195 PolarHBondContact O-N 3.01Å; F192-T196 HydrophobicContact CD1-CG2 4.23Å; F192-T196 HydrophobicContact CD2-CG2 4.21Å; F192-T196 HydrophobicContact CE1-CG2 3.9Å; F192-T196 HydrophobicContact CE2-CG2 3.88Å; F192-T196 HydrophobicContact CG-CG2 4.4Å; F192-T196 HydrophobicContact CZ-CG2 3.73Å; F192-T196 PolarHBondContact O-N 2.92Å; F192-T196 PolarHBondContact O-OG1 2.82Å; F192-T196 VanDerWaalsContact O-OG1 3.09Å |
| 193 | L | 97.9 | Very high | 96.6 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.4 | -69.5 | 177.7 | 0 | 0 | 0 | 112.2 | F15 I18 Y25 V88 L114 V189 E190 T195 T196 L197 | F15-L193 HydrophobicContact CE1-CD1 4.37Å; I18-L193 HydrophobicContact CD1-CD1 4.28Å; Y25-L193 HydrophobicContact CE1-CD1 3.84Å; V88-L193 HydrophobicContact CB-CD2 4.11Å; V88-L193 HydrophobicContact CG1-CD2 3.93Å; V88-L193 HydrophobicContact CG2-CD2 4.09Å; L114-L193 HydrophobicContact CD1-CD2 4.12Å; L114-L193 HydrophobicContact CD1-CG 4.44Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 HydrophobicContact CG1-CG 4.33Å; V189-L193 WeakPolarHBondContact O-CB 3.34Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.39Å; V189-L193 PolarHBondContact O-N 2.96Å; E190-L193 PolarHBondContact O-N 3.09Å; L193-T195 PolarHBondContact O-N 3.15Å; L193-T196 PolarHBondContact O-N 3.23Å; L193-L197 HydrophobicContact CD2-CD1 4.31Å; L193-L197 WeakPolarHBondContact O-CA 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.39Å; L193-L197 PolarHBondContact O-N 3.45Å |
| 194 | A | 97.5 | Very high | 96.8 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E190 F192 | E190-A194 WeakPolarHBondContact O-CB 3.38Å; E190-A194 PolarHBondContact O-N 2.94Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.13Å |
| 195 | T | 97.5 | Very high | 96.8 | Very high | 107 Ų | 107 | 53.9 Ų | 53.9 | 66% | 0.656 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -79.4 | -43.7 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 112 | S191 F192 L193 | S191-T195 PolarHBondContact O-N 3Å; S191-T195 VanDerWaalsContact O-N 3.15Å; S191-T195 PolarHBondContact O-OG1 3.04Å; F192-T195 WeakPolarHBondContact O-CB 3.37Å; F192-T195 PolarHBondContact O-N 3.01Å; L193-T195 PolarHBondContact O-N 3.15Å |
| 196 | T | 97.4 | Very high | 96.7 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.3 | -27.3 | -176.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | P138 F192 L193 P198 | P138-T196 HydrophobicContact CB-CG2 4.15Å; P138-T196 HydrophobicContact CG-CG2 4.27Å; F192-T196 HydrophobicContact CD1-CG2 4.23Å; F192-T196 HydrophobicContact CD2-CG2 4.21Å; F192-T196 HydrophobicContact CE1-CG2 3.9Å; F192-T196 HydrophobicContact CE2-CG2 3.88Å; F192-T196 HydrophobicContact CG-CG2 4.4Å; F192-T196 HydrophobicContact CZ-CG2 3.73Å; F192-T196 PolarHBondContact O-N 2.92Å; F192-T196 PolarHBondContact O-OG1 2.82Å; F192-T196 VanDerWaalsContact O-OG1 3.09Å; L193-T196 PolarHBondContact O-N 3.23Å; T196-P198 VanDerWaalsContact C-CD 3.44Å; T196-P198 WeakPolarHBondContact O-CD 3.43Å |
| 197 | L | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -125.3 | 65.4 | -179.1 | -58.4 | 175.5 | 0 | 0 | 0 | 110.6 | H22 V23 R86 V88 A111 L193 | H22-L197 PolarHBondContact NE2-O 3.36Å; V23-L197 HydrophobicContact CG1-CD1 4.08Å; V23-L197 HydrophobicContact CG2-CB 4.18Å; V23-L197 HydrophobicContact CG2-CD1 4.14Å; R86-L197 VanDerWaalsContact O-CD2 3.29Å; R86-L197 WeakPolarHBondContact O-CD2 3.28Å; V88-L197 HydrophobicContact CB-CD1 4.35Å; V88-L197 HydrophobicContact CG2-CD1 3.79Å; V88-L197 HydrophobicContact CG2-CD2 4.23Å; V88-L197 HydrophobicContact CG2-CG 3.9Å; A111-L197 HydrophobicContact CB-CD2 3.82Å; L193-L197 HydrophobicContact CD2-CD1 4.31Å; L193-L197 WeakPolarHBondContact O-CA 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.39Å; L193-L197 PolarHBondContact O-N 3.45Å |
| 198 | P | 97.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | trans | -63.3 | 159.1 | 175.8 | 28.2 | -36 | 0 | 0 | 0 | 111.3 | R86 T196 | R86-P198 VanDerWaalsContact CZ-O 3.26Å; R86-P198 PolarHBondContact NH1-O 3.48Å; R86-P198 PolarHBondContact NH2-O 3.34Å; T196-P198 VanDerWaalsContact C-CD 3.44Å; T196-P198 WeakPolarHBondContact O-CD 3.43Å | ||
| 199 | P | 95.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | trans | -52.8 | 147.3 | 169 | -23.6 | 33.6 | 0 | 0 | 0 | 111.8 | ||||
| 200 | V | 85.9 | Confident | 96.4 | Very high | 184 Ų | 184 | 68.5 Ų | 68.5 | 100% | 1.115 | 42% | 0.424 | S | S | * | . | trans | -97.7 | 0 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 110 |
Retrieved 200 of 200 residues in 492.3 ms
(Link to these results)