| 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 | 95.3 | Very high | 97.8 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | 0 | 143.4 | 0 | -60.3 | -176.3 | -77.6 | 0 | 0 | 108.3 | H52 F56 W77 | M1-H52 HydrophobicContact CE-CB 3.78Å; M1-H52 HydrophobicContact SD-CB 3.94Å; M1-F56 HydrophobicContact CB-CD1 4.41Å; M1-F56 HydrophobicContact CB-CD2 3.66Å; M1-F56 HydrophobicContact CB-CE2 3.87Å; M1-F56 HydrophobicContact CB-CG 3.97Å; M1-F56 HydrophobicContact CB-CZ 4.34Å; M1-F56 HydrophobicContact CG-CB 3.68Å; M1-F56 HydrophobicContact CG-CD1 4.2Å; M1-F56 HydrophobicContact CG-CD2 3.69Å; M1-F56 HydrophobicContact CG-CE2 4.39Å; M1-F56 HydrophobicContact CG-CG 3.58Å; M1-F56 HydrophobicContact SD-CB 3.82Å; M1-F56 HydrophobicContact SD-CD2 4.02Å; M1-F56 HydrophobicContact SD-CG 4.16Å; M1-W77 HydrophobicContact CB-CD2 4.32Å; M1-W77 HydrophobicContact CB-CH2 3.76Å; M1-W77 HydrophobicContact CB-CZ2 3.33Å; M1-W77 HydrophobicContact CB-CZ3 4.39Å; M1-W77 HydrophobicContact CE-CD2 4.05Å; M1-W77 HydrophobicContact CE-CG 3.81Å; M1-W77 HydrophobicContact SD-CD2 3.98Å; M1-W77 HydrophobicContact SD-CE3 4.41Å; M1-W77 HydrophobicContact SD-CG 4.19Å | |||
| 2 | N | 96.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | trans | -131.7 | 129.1 | -175.7 | 176.5 | -56.4 | 0 | 0 | 0 | 109.8 | E4 E5 Y6 F56 | N2-E4 WeakPolarHBondContact OD1-CA 3.36Å; N2-E4 VanDerWaalsContact OD1-CB 3.32Å; N2-E4 WeakPolarHBondContact OD1-CB 3.5Å; N2-E4 PolarHBondContact OD1-N 3.1Å; N2-E5 HydrophobicContact CB-CB 4.25Å; N2-E5 HydrophobicContact CB-CG 4.02Å; N2-E5 PolarHBondContact O-N 3.29Å; N2-E5 PolarHBondContact OD1-N 3.27Å; N2-E5 VanDerWaalsContact OD1-N 3.09Å; N2-Y6 PolarHBondContact O-N 2.97Å; N2-F56 VanDerWaalsContact N-CZ 3.34Å; N2-F56 VanDerWaalsContact O-CZ 3.32Å; N2-F56 WeakPolarHBondContact O-CZ 3.12Å | ||
| 3 | L | 97.2 | Very high | 97.7 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.4 | -34.2 | -173.9 | -174.3 | 62.7 | 0 | 0 | 0 | 112.9 | Y6 F7 F16 W77 V78 E81 M82 | L3-Y6 HydrophobicContact CD1-CD1 4.2Å; L3-Y6 WeakPolarHBondContact O-CB 3.28Å; L3-Y6 PolarHBondContact O-N 3.46Å; L3-F7 HydrophobicContact CD1-CE1 4.04Å; L3-F7 HydrophobicContact CD1-CE2 4.04Å; L3-F7 HydrophobicContact CD1-CZ 3.74Å; L3-F7 HydrophobicContact CD2-CE2 3.66Å; L3-F7 HydrophobicContact CD2-CZ 3.81Å; L3-F7 HydrophobicContact CG-CD2 4.02Å; L3-F7 HydrophobicContact CG-CE1 4.38Å; L3-F7 HydrophobicContact CG-CE2 3.47Å; L3-F7 VanDerWaalsContact CG-CE2 3.47Å; L3-F7 HydrophobicContact CG-CZ 3.69Å; L3-F7 WeakPolarHBondContact O-CG 3.31Å; L3-F7 PolarHBondContact O-N 3.12Å; L3-F16 HydrophobicContact CD2-CD2 4.11Å; L3-F16 HydrophobicContact CD2-CE2 3.85Å; L3-W77 HydrophobicContact CB-CH2 4.48Å; L3-V78 HydrophobicContact CD1-CG1 4.06Å; L3-V78 HydrophobicContact CD1-CG2 4.49Å; L3-E81 HydrophobicContact CD1-CB 4.26Å; L3-E81 HydrophobicContact CD2-CB 4.05Å; L3-M82 HydrophobicContact CD1-CG 4.39Å; L3-M82 HydrophobicContact CD2-CG 4.08Å |
| 4 | E | 97.5 | Very high | 97.4 | Very high | 142 Ų | 142 | 58.3 Ų | 58.3 | 66% | 0.664 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 176.3 | -59.2 | 179.4 | 172.4 | 0 | 0 | 111.8 | N2 Y6 F7 K8 | N2-E4 WeakPolarHBondContact OD1-CA 3.36Å; N2-E4 VanDerWaalsContact OD1-CB 3.32Å; N2-E4 WeakPolarHBondContact OD1-CB 3.5Å; N2-E4 PolarHBondContact OD1-N 3.1Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.39Å; E4-F7 PolarHBondContact O-N 2.91Å; E4-K8 WeakPolarHBondContact O-CB 3.28Å; E4-K8 PolarHBondContact O-N 2.86Å |
| 5 | E | 98.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 61 Ų | 61 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 172.2 | -73.9 | -177.6 | -132.6 | 0 | 0 | 110.7 | N2 K8 R9 F56 V60 R61 | N2-E5 HydrophobicContact CB-CB 4.25Å; N2-E5 HydrophobicContact CB-CG 4.02Å; N2-E5 PolarHBondContact O-N 3.29Å; N2-E5 PolarHBondContact OD1-N 3.27Å; N2-E5 VanDerWaalsContact OD1-N 3.09Å; E5-K8 PolarHBondContact O-N 3.13Å; E5-R9 PolarHBondContact O-N 3.25Å; E5-F56 HydrophobicContact CB-CZ 3.97Å; E5-V60 HydrophobicContact CB-CG1 3.92Å; E5-V60 WeakPolarHBondContact O-CG1 3.49Å; E5-R61 IonicContact OE1-CZ 3.65Å; E5-R61 IonicContact OE1-NE 3.17Å; E5-R61 IonicContact OE1-NH2 2.59Å; E5-R61 PolarHBondContact OE1-NH2 2.84Å; E5-R61 VanDerWaalsContact OE1-NH2 3.1Å; E5-R61 IonicContact OE2-CZ 2.79Å; E5-R61 IonicContact OE2-NE 3.62Å; E5-R61 PolarHBondContact OE2-NE 2.91Å; E5-R61 IonicContact OE2-NH2 3.84Å; E5-R61 PolarHBondContact OE2-NH2 3.29Å |
| 6 | Y | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.9 | 168.9 | -93.6 | 0 | 0 | 0 | 112.1 | N2 L3 E4 K8 R9 I10 V27 H31 I35 V60 L74 V78 | N2-Y6 PolarHBondContact O-N 2.97Å; L3-Y6 HydrophobicContact CD1-CD1 4.2Å; L3-Y6 WeakPolarHBondContact O-CB 3.28Å; L3-Y6 PolarHBondContact O-N 3.46Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.39Å; Y6-K8 VanDerWaalsContact C-N 3.31Å; Y6-K8 PolarHBondContact O-N 3.3Å; Y6-R9 WeakPolarHBondContact O-CA 3.43Å; Y6-R9 WeakPolarHBondContact O-CB 3.5Å; Y6-R9 PolarHBondContact O-N 2.83Å; Y6-I10 HydrophobicContact CD1-CD1 4.33Å; Y6-I10 HydrophobicContact CD2-CG2 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.53Å; Y6-I10 HydrophobicContact CE1-CG1 4.23Å; Y6-I10 HydrophobicContact CE1-CG2 4.42Å; Y6-I10 HydrophobicContact CE2-CG2 3.92Å; Y6-I10 PolarHBondContact O-N 3.33Å; Y6-V27 HydrophobicContact CE1-CG1 4.14Å; Y6-H31 AromaticContact CE2-ND1 3.73Å; Y6-H31 AromaticContact CZ-ND1 3.71Å; Y6-H31 PolarHBondContact OH-ND1 2.8Å; Y6-I35 HydrophobicContact CE2-CD1 4.04Å; Y6-V60 HydrophobicContact CD2-CG2 4.17Å; Y6-L74 HydrophobicContact CD2-CD2 4.26Å; Y6-L74 HydrophobicContact CD2-CG 4.5Å; Y6-L74 HydrophobicContact CE2-CD2 4.24Å; Y6-L74 HydrophobicContact CE2-CG 4.47Å; Y6-V78 HydrophobicContact CD1-CB 4.48Å; Y6-V78 HydrophobicContact CD1-CG1 3.94Å; Y6-V78 HydrophobicContact CD1-CG2 3.63Å; Y6-V78 HydrophobicContact CD2-CG2 3.75Å; Y6-V78 HydrophobicContact CE1-CB 4.17Å; Y6-V78 HydrophobicContact CE1-CG1 3.47Å; Y6-V78 VanDerWaalsContact CE1-CG1 3.47Å; Y6-V78 HydrophobicContact CE1-CG2 3.59Å; Y6-V78 HydrophobicContact CE2-CG2 3.7Å; Y6-V78 HydrophobicContact CG-CG2 3.71Å |
| 7 | F | 98.6 | Very high | 96.1 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.3 | -71.4 | -30.4 | 0 | 0 | 0 | 112.4 | L3 E4 R9 I10 G11 F12 F16 V27 M82 | L3-F7 HydrophobicContact CD1-CE1 4.04Å; L3-F7 HydrophobicContact CD1-CE2 4.04Å; L3-F7 HydrophobicContact CD1-CZ 3.74Å; L3-F7 HydrophobicContact CD2-CE2 3.66Å; L3-F7 HydrophobicContact CD2-CZ 3.81Å; L3-F7 HydrophobicContact CG-CD2 4.02Å; L3-F7 HydrophobicContact CG-CE1 4.38Å; L3-F7 HydrophobicContact CG-CE2 3.47Å; L3-F7 VanDerWaalsContact CG-CE2 3.47Å; L3-F7 HydrophobicContact CG-CZ 3.69Å; L3-F7 WeakPolarHBondContact O-CG 3.31Å; L3-F7 PolarHBondContact O-N 3.12Å; E4-F7 PolarHBondContact O-N 2.91Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.06Å; F7-I10 HydrophobicContact CD1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.46Å; F7-I10 WeakPolarHBondContact O-CG1 3.42Å; F7-I10 PolarHBondContact O-N 3.38Å; F7-G11 PolarHBondContact O-N 3.38Å; F7-F12 HydrophobicContact CB-CB 4.49Å; F7-F12 HydrophobicContact CB-CD1 4.43Å; F7-F12 HydrophobicContact CD1-CB 4.23Å; F7-F12 AromaticContact CD1-CD1 3.57Å; F7-F12 HydrophobicContact CD1-CD1 3.57Å; F7-F12 HydrophobicContact CD1-CE1 4.4Å; F7-F12 HydrophobicContact CD1-CG 4.3Å; F7-F12 HydrophobicContact CD2-CD1 4.33Å; F7-F12 AromaticContact CE1-CD1 3.78Å; F7-F12 HydrophobicContact CE1-CD1 3.78Å; F7-F12 HydrophobicContact CE1-CE1 4.2Å; F7-F12 HydrophobicContact CE2-CD1 4.49Å; F7-F12 AromaticContact CG-CD1 3.87Å; F7-F12 HydrophobicContact CG-CD1 3.87Å; F7-F12 HydrophobicContact CZ-CD1 4.24Å; F7-F12 HydrophobicContact CZ-CE1 4.31Å; F7-F12 PolarHBondContact O-N 2.87Å; F7-F16 HydrophobicContact CD2-CD1 4.1Å; F7-F16 HydrophobicContact CD2-CE1 4Å; F7-F16 HydrophobicContact CD2-CZ 4.49Å; F7-F16 HydrophobicContact CE2-CB 4.28Å; F7-F16 AromaticContact CE2-CD1 3.36Å; F7-F16 HydrophobicContact CE2-CD1 3.36Å; F7-F16 AromaticContact CE2-CD2 3.89Å; F7-F16 HydrophobicContact CE2-CD2 3.89Å; F7-F16 AromaticContact CE2-CE1 3.52Å; F7-F16 HydrophobicContact CE2-CE1 3.52Å; F7-F16 HydrophobicContact CE2-CE2 4.03Å; F7-F16 AromaticContact CE2-CG 3.57Å; F7-F16 HydrophobicContact CE2-CG 3.57Å; F7-F16 AromaticContact CE2-CZ 3.85Å; F7-F16 HydrophobicContact CE2-CZ 3.85Å; F7-F16 HydrophobicContact CZ-CB 4.09Å; F7-F16 HydrophobicContact CZ-CD1 4.04Å; F7-F16 HydrophobicContact CZ-CD2 4.23Å; F7-F16 AromaticContact CZ-CG 3.85Å; F7-F16 HydrophobicContact CZ-CG 3.85Å; F7-V27 HydrophobicContact CE1-CG1 4.32Å; F7-V27 HydrophobicContact CE1-CG2 4.05Å; F7-M82 HydrophobicContact CE1-SD 4.12Å; F7-M82 HydrophobicContact CZ-CE 4.4Å; F7-M82 HydrophobicContact CZ-CG 4Å; F7-M82 HydrophobicContact CZ-SD 4Å |
| 8 | K | 98.5 | Very high | 95.8 | Very high | 178 Ų | 178 | 68.9 Ų | 68.9 | 77% | 0.774 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 170.7 | -174.6 | 178.4 | 179 | -179.3 | 0 | 111.8 | E4 E5 Y6 I10 G11 | E4-K8 WeakPolarHBondContact O-CB 3.28Å; E4-K8 PolarHBondContact O-N 2.86Å; E5-K8 PolarHBondContact O-N 3.13Å; Y6-K8 VanDerWaalsContact C-N 3.31Å; Y6-K8 PolarHBondContact O-N 3.3Å; K8-I10 VanDerWaalsContact C-N 3.3Å; K8-I10 PolarHBondContact O-N 3.1Å; K8-G11 PolarHBondContact O-N 3.43Å |
| 9 | R | 98.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -35.9 | 178.1 | 170.2 | 66.5 | -175.6 | 90.3 | -4.2 | 113 | E5 Y6 F7 S34 I35 I59 V60 N63 R64 | E5-R9 PolarHBondContact O-N 3.25Å; Y6-R9 WeakPolarHBondContact O-CA 3.43Å; Y6-R9 WeakPolarHBondContact O-CB 3.5Å; Y6-R9 PolarHBondContact O-N 2.83Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.06Å; R9-S34 VanDerWaalsContact CZ-O 3.29Å; R9-S34 PolarHBondContact NH1-O 2.89Å; R9-S34 PolarHBondContact NH2-O 3.09Å; R9-I35 HydrophobicContact CG-CD1 4.27Å; R9-I35 HydrophobicContact CG-CG1 4.28Å; R9-I59 WeakPolarHBondContact CD-O 3.32Å; R9-I59 PolarHBondContact NE-O 3.46Å; R9-V60 HydrophobicContact CB-CG1 3.94Å; R9-N63 VanDerWaalsContact CD-OD1 3.27Å; R9-N63 WeakPolarHBondContact CD-OD1 3.46Å; R9-R64 PolarHBondContact NH2-O 2.83Å |
| 10 | I | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -96.6 | 1 | 179.3 | 69.9 | 167.8 | 0 | 0 | 0 | 113.6 | Y6 F7 K8 F12 V27 H30 H31 S34 I35 | Y6-I10 HydrophobicContact CD1-CD1 4.33Å; Y6-I10 HydrophobicContact CD2-CG2 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.53Å; Y6-I10 HydrophobicContact CE1-CG1 4.23Å; Y6-I10 HydrophobicContact CE1-CG2 4.42Å; Y6-I10 HydrophobicContact CE2-CG2 3.92Å; Y6-I10 PolarHBondContact O-N 3.33Å; F7-I10 HydrophobicContact CD1-CD1 4.25Å; F7-I10 CarbonylContact O-C 3.46Å; F7-I10 WeakPolarHBondContact O-CG1 3.42Å; F7-I10 PolarHBondContact O-N 3.38Å; K8-I10 VanDerWaalsContact C-N 3.3Å; K8-I10 PolarHBondContact O-N 3.1Å; I10-F12 VanDerWaalsContact C-N 3.28Å; I10-F12 HydrophobicContact CD1-CB 3.75Å; I10-F12 HydrophobicContact CG1-CB 3.73Å; I10-F12 PolarHBondContact O-N 3.38Å; I10-V27 HydrophobicContact CD1-CG1 4Å; I10-H30 HydrophobicContact CB-CB 4.15Å; I10-H30 HydrophobicContact CD1-CB 3.77Å; I10-H30 HydrophobicContact CG1-CB 4.09Å; I10-H30 PolarHBondContact O-ND1 2.77Å; I10-H31 HydrophobicContact CG2-CB 4.48Å; I10-S34 PolarHBondContact O-OG 3.21Å; I10-S34 VanDerWaalsContact O-OG 3.12Å; I10-I35 HydrophobicContact CG2-CD1 3.5Å; I10-I35 HydrophobicContact CG2-CG1 4.07Å |
| 11 | G | 98.1 | Very high | 96 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 26.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F7 K8 H30 | F7-G11 PolarHBondContact O-N 3.38Å; K8-G11 PolarHBondContact O-N 3.43Å; G11-H30 PolarHBondContact O-CE1 2.96Å; G11-H30 PolarHBondContact O-ND1 2.77Å |
| 12 | F | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | trans | -89.6 | 122.5 | 178.2 | 177.8 | -103.3 | 0 | 0 | 0 | 110.4 | F7 I10 G14 F16 T23 Q26 V27 H30 | F7-F12 HydrophobicContact CB-CB 4.49Å; F7-F12 HydrophobicContact CB-CD1 4.43Å; F7-F12 HydrophobicContact CD1-CB 4.23Å; F7-F12 AromaticContact CD1-CD1 3.57Å; F7-F12 HydrophobicContact CD1-CD1 3.57Å; F7-F12 HydrophobicContact CD1-CE1 4.4Å; F7-F12 HydrophobicContact CD1-CG 4.3Å; F7-F12 HydrophobicContact CD2-CD1 4.33Å; F7-F12 AromaticContact CE1-CD1 3.78Å; F7-F12 HydrophobicContact CE1-CD1 3.78Å; F7-F12 HydrophobicContact CE1-CE1 4.2Å; F7-F12 HydrophobicContact CE2-CD1 4.49Å; F7-F12 AromaticContact CG-CD1 3.87Å; F7-F12 HydrophobicContact CG-CD1 3.87Å; F7-F12 HydrophobicContact CZ-CD1 4.24Å; F7-F12 HydrophobicContact CZ-CE1 4.31Å; F7-F12 PolarHBondContact O-N 2.87Å; I10-F12 VanDerWaalsContact C-N 3.28Å; I10-F12 HydrophobicContact CD1-CB 3.75Å; I10-F12 HydrophobicContact CG1-CB 3.73Å; I10-F12 PolarHBondContact O-N 3.38Å; F12-G14 VanDerWaalsContact CE1-O 3.26Å; F12-G14 WeakPolarHBondContact CE1-O 3.44Å; F12-G14 VanDerWaalsContact CZ-CA 3.49Å; F12-F16 HydrophobicContact CE1-CB 4.33Å; F12-T23 HydrophobicContact CZ-CG2 4.49Å; F12-Q26 HydrophobicContact CD2-CB 4.32Å; F12-Q26 HydrophobicContact CE2-CB 3.74Å; F12-V27 HydrophobicContact CD1-CG2 3.88Å; F12-V27 HydrophobicContact CD2-CG2 4.04Å; F12-V27 HydrophobicContact CE1-CG2 3.73Å; F12-V27 HydrophobicContact CE2-CG2 3.92Å; F12-V27 HydrophobicContact CG-CG2 4.02Å; F12-V27 HydrophobicContact CZ-CG2 3.74Å; F12-H30 HydrophobicContact CB-CB 4.37Å | ||
| 13 | N | 96.1 | Very high | 96.2 | Very high | 154 Ų | 154 | 65.8 Ų | 65.8 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | trans | -122.2 | 12.2 | 178.7 | -59.7 | -39.5 | 0 | 0 | 0 | 112.3 | ||||
| 14 | G | 93.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -77.6 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F12 | F12-G14 VanDerWaalsContact CE1-O 3.26Å; F12-G14 WeakPolarHBondContact CE1-O 3.44Å; F12-G14 VanDerWaalsContact CZ-CA 3.49Å |
| 15 | P | 92.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 60 Ų | 60 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | trans | -66.2 | 146.1 | 171.5 | 30.3 | -34.3 | 0 | 0 | 0 | 110.6 | ||||
| 16 | F | 91.9 | Very high | 96.3 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | trans | -137.9 | 17.1 | 176.1 | 62.8 | -87.6 | 0 | 0 | 0 | 112.7 | L3 F7 F12 K18 T23 M82 | L3-F16 HydrophobicContact CD2-CD2 4.11Å; L3-F16 HydrophobicContact CD2-CE2 3.85Å; F7-F16 HydrophobicContact CD2-CD1 4.1Å; F7-F16 HydrophobicContact CD2-CE1 4Å; F7-F16 HydrophobicContact CD2-CZ 4.49Å; F7-F16 HydrophobicContact CE2-CB 4.28Å; F7-F16 AromaticContact CE2-CD1 3.36Å; F7-F16 HydrophobicContact CE2-CD1 3.36Å; F7-F16 AromaticContact CE2-CD2 3.89Å; F7-F16 HydrophobicContact CE2-CD2 3.89Å; F7-F16 AromaticContact CE2-CE1 3.52Å; F7-F16 HydrophobicContact CE2-CE1 3.52Å; F7-F16 HydrophobicContact CE2-CE2 4.03Å; F7-F16 AromaticContact CE2-CG 3.57Å; F7-F16 HydrophobicContact CE2-CG 3.57Å; F7-F16 AromaticContact CE2-CZ 3.85Å; F7-F16 HydrophobicContact CE2-CZ 3.85Å; F7-F16 HydrophobicContact CZ-CB 4.09Å; F7-F16 HydrophobicContact CZ-CD1 4.04Å; F7-F16 HydrophobicContact CZ-CD2 4.23Å; F7-F16 AromaticContact CZ-CG 3.85Å; F7-F16 HydrophobicContact CZ-CG 3.85Å; F12-F16 HydrophobicContact CE1-CB 4.33Å; F16-K18 PolarHBondContact O-N 3.01Å; F16-T23 HydrophobicContact CB-CG2 4.07Å; F16-M82 HydrophobicContact CB-CE 4.09Å | ||
| 17 | S | 85.9 | Confident | 96.3 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 77% | 0.769 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.2 | -8.7 | -176.4 | 56 | 0 | 0 | 0 | 0 | 114 | ||
| 18 | K | 90.8 | Very high | 96.3 | Very high | 139 Ų | 139 | 59.7 Ų | 59.7 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -130.3 | 135 | 177.3 | -65.9 | -176.4 | -178.6 | 178.8 | 0 | 110.4 | F16 D20 | F16-K18 PolarHBondContact O-N 3.01Å; K18-D20 PolarHBondContact O-N 2.98Å |
| 19 | P | 95.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | trans | -81.3 | 63.2 | 175.9 | 34.1 | -35.6 | 0 | 0 | 0 | 111.2 | Y84 | P19-Y84 VanDerWaalsContact CA-CE1 3.48Å; P19-Y84 HydrophobicContact CB-CD1 3.61Å; P19-Y84 HydrophobicContact CB-CD2 4.04Å; P19-Y84 HydrophobicContact CB-CE1 3.61Å; P19-Y84 HydrophobicContact CB-CE2 4.05Å; P19-Y84 HydrophobicContact CB-CG 3.82Å; P19-Y84 VanDerWaalsContact O-CE1 3.25Å; P19-Y84 WeakPolarHBondContact O-CE1 3.33Å | ||
| 20 | D | 97.5 | Very high | 96.3 | Very high | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | trans | -97.6 | 168.4 | 178.2 | 60 | 42.5 | 0 | 0 | 0 | 112.9 | K18 E22 T23 L24 Y84 | K18-D20 PolarHBondContact O-N 2.98Å; D20-E22 VanDerWaalsContact C-N 3.33Å; D20-E22 PolarHBondContact O-N 3.12Å; D20-E22 PolarHBondContact OD1-N 3.13Å; D20-T23 WeakPolarHBondContact OD1-CB 3.43Å; D20-T23 PolarHBondContact OD1-N 3.38Å; D20-T23 PolarHBondContact OD1-OG1 3.48Å; D20-L24 PolarHBondContact O-N 3.34Å; D20-Y84 PolarHBondContact N-OH 3.22Å; D20-Y84 PolarHBondContact O-OH 3.07Å | ||
| 21 | L | 98.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.7 | -32.4 | -178.3 | -179 | 63.5 | 0 | 0 | 0 | 112.3 | L24 N25 I114 Y119 | L21-L24 PolarHBondContact O-N 2.96Å; L21-N25 WeakPolarHBondContact O-CB 3.42Å; L21-N25 VanDerWaalsContact O-CG 3.23Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 PolarHBondContact O-ND2 3.44Å; L21-I114 HydrophobicContact CB-CD1 4.26Å; L21-I114 HydrophobicContact CD1-CD1 4.25Å; L21-Y119 HydrophobicContact CD1-CD1 4.04Å; L21-Y119 HydrophobicContact CD1-CD2 4.43Å; L21-Y119 HydrophobicContact CD1-CE1 3.86Å; L21-Y119 HydrophobicContact CD1-CE2 4.25Å; L21-Y119 HydrophobicContact CD1-CG 4.34Å; L21-Y119 HydrophobicContact CD2-CE1 3.91Å |
| 22 | E | 97.8 | Very high | 96.4 | Very high | 133 Ų | 133 | 55.2 Ų | 55.2 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.6 | -48.3 | -179.6 | -177.1 | 177.6 | 175.6 | 0 | 0 | 111.1 | D20 L24 N25 Q26 | D20-E22 VanDerWaalsContact C-N 3.33Å; D20-E22 PolarHBondContact O-N 3.12Å; D20-E22 PolarHBondContact OD1-N 3.13Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.78Å; E22-N25 PolarHBondContact O-N 2.87Å; E22-Q26 WeakPolarHBondContact O-CG 3.43Å; E22-Q26 PolarHBondContact O-N 2.97Å; E22-Q26 VanDerWaalsContact O-N 3.13Å |
| 23 | T | 98.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | F12 F16 D20 N25 Q26 V27 M82 | F12-T23 HydrophobicContact CZ-CG2 4.49Å; F16-T23 HydrophobicContact CB-CG2 4.07Å; D20-T23 WeakPolarHBondContact OD1-CB 3.43Å; D20-T23 PolarHBondContact OD1-N 3.38Å; D20-T23 PolarHBondContact OD1-OG1 3.48Å; T23-N25 PolarHBondContact O-N 3.25Å; T23-Q26 PolarHBondContact O-N 3.21Å; T23-V27 HydrophobicContact CG2-CG2 4.46Å; T23-V27 WeakPolarHBondContact O-CG2 3.49Å; T23-V27 PolarHBondContact O-N 3.14Å; T23-M82 HydrophobicContact CG2-CE 3.44Å; T23-M82 VanDerWaalsContact CG2-CE 3.44Å |
| 24 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.4 | -179.9 | 57.3 | 0 | 0 | 0 | 112 | D20 L21 E22 Q26 V27 H28 F75 L79 Y84 V112 I114 P134 | D20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 2.96Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.78Å; L24-Q26 VanDerWaalsContact C-N 3.29Å; L24-Q26 PolarHBondContact O-N 3.47Å; L24-V27 PolarHBondContact O-N 2.8Å; L24-H28 WeakPolarHBondContact O-CB 3.42Å; L24-H28 PolarHBondContact O-N 2.93Å; L24-F75 HydrophobicContact CD1-CE1 4.23Å; L24-F75 HydrophobicContact CD1-CZ 4.12Å; L24-L79 HydrophobicContact CD1-CD2 3.35Å; L24-Y84 HydrophobicContact CB-CE1 4.25Å; L24-Y84 PolarHBondContact N-OH 2.76Å; L24-V112 HydrophobicContact CD2-CG2 3.65Å; L24-I114 HydrophobicContact CD2-CD1 3.81Å; L24-P134 HydrophobicContact CD1-CG 4.36Å; L24-P134 HydrophobicContact CD2-CB 4.24Å; L24-P134 HydrophobicContact CD2-CG 3.54Å; L24-P134 HydrophobicContact CG-CG 3.52Å |
| 25 | N | 98.5 | Very high | 96.7 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.3 | -78.7 | -22.6 | 0 | 0 | 0 | 111.8 | L21 E22 T23 K29 H133 P134 | L21-N25 WeakPolarHBondContact O-CB 3.42Å; L21-N25 VanDerWaalsContact O-CG 3.23Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 PolarHBondContact O-ND2 3.44Å; E22-N25 PolarHBondContact O-N 2.87Å; T23-N25 PolarHBondContact O-N 3.25Å; N25-K29 VanDerWaalsContact O-CB 3.27Å; N25-K29 WeakPolarHBondContact O-CB 3.45Å; N25-K29 PolarHBondContact O-N 2.83Å; N25-K29 VanDerWaalsContact O-N 3.14Å; N25-H133 PolarHBondContact O-ND1 3.49Å; N25-P134 WeakPolarHBondContact OD1-CD 3.12Å |
| 26 | Q | 98.3 | Very high | 97.1 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69 | -50.3 | 179 | -67.8 | -178.7 | 52.7 | 0 | 0 | 111.5 | F12 E22 T23 L24 H28 K29 H30 | F12-Q26 HydrophobicContact CD2-CB 4.32Å; F12-Q26 HydrophobicContact CE2-CB 3.74Å; E22-Q26 WeakPolarHBondContact O-CG 3.43Å; E22-Q26 PolarHBondContact O-N 2.97Å; E22-Q26 VanDerWaalsContact O-N 3.13Å; T23-Q26 PolarHBondContact O-N 3.21Å; L24-Q26 VanDerWaalsContact C-N 3.29Å; L24-Q26 PolarHBondContact O-N 3.47Å; Q26-H28 PolarHBondContact O-N 2.8Å; Q26-K29 PolarHBondContact O-N 2.83Å; Q26-H30 WeakPolarHBondContact O-CB 3.35Å; Q26-H30 PolarHBondContact O-CD2 2.99Å; Q26-H30 VanDerWaalsContact O-CD2 3.27Å; Q26-H30 PolarHBondContact O-N 2.88Å |
| 27 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | -178.4 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | Y6 F7 I10 F12 T23 L24 H30 H31 F75 V78 M82 | Y6-V27 HydrophobicContact CE1-CG1 4.14Å; F7-V27 HydrophobicContact CE1-CG1 4.32Å; F7-V27 HydrophobicContact CE1-CG2 4.05Å; I10-V27 HydrophobicContact CD1-CG1 4Å; F12-V27 HydrophobicContact CD1-CG2 3.88Å; F12-V27 HydrophobicContact CD2-CG2 4.04Å; F12-V27 HydrophobicContact CE1-CG2 3.73Å; F12-V27 HydrophobicContact CE2-CG2 3.92Å; F12-V27 HydrophobicContact CG-CG2 4.02Å; F12-V27 HydrophobicContact CZ-CG2 3.74Å; T23-V27 HydrophobicContact CG2-CG2 4.46Å; T23-V27 WeakPolarHBondContact O-CG2 3.49Å; T23-V27 PolarHBondContact O-N 3.14Å; L24-V27 PolarHBondContact O-N 2.8Å; V27-H30 PolarHBondContact O-N 2.87Å; V27-H31 WeakPolarHBondContact O-CB 3.42Å; V27-H31 PolarHBondContact O-N 2.85Å; V27-F75 HydrophobicContact CG1-CE2 4.04Å; V27-F75 HydrophobicContact CG1-CZ 4.49Å; V27-V78 HydrophobicContact CG1-CG1 4.29Å; V27-M82 HydrophobicContact CB-CE 4.24Å; V27-M82 HydrophobicContact CG1-CE 4.47Å; V27-M82 HydrophobicContact CG1-SD 4.09Å; V27-M82 HydrophobicContact CG2-CE 3.64Å; V27-M82 HydrophobicContact CG2-SD 4.23Å |
| 28 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 174.6 | -173 | -68.3 | 0 | 0 | 0 | 111.2 | L24 Q26 H30 H31 V32 F75 D122 V123 I131 W132 | L24-H28 WeakPolarHBondContact O-CB 3.42Å; L24-H28 PolarHBondContact O-N 2.93Å; Q26-H28 PolarHBondContact O-N 2.8Å; H28-H30 PolarHBondContact O-N 3.4Å; H28-H31 WeakPolarHBondContact O-CB 2.99Å; H28-H31 PolarHBondContact O-N 3.45Å; H28-V32 PolarHBondContact O-N 2.9Å; H28-V32 VanDerWaalsContact O-N 3.08Å; H28-F75 HydrophobicContact CB-CZ 4.09Å; H28-D122 PolarHBondContact CE1-O 3.23Å; H28-D122 VanDerWaalsContact CE1-O 3.23Å; H28-D122 PolarHBondContact NE2-O 3.38Å; H28-V123 VanDerWaalsContact CD2-CG1 3.42Å; H28-V123 WeakPolarHBondContact CD2-CG1 3.15Å; H28-V123 WeakPolarHBondContact NE2-CG1 3.29Å; H28-I131 PolarHBondContact CE1-O 2.78Å; H28-I131 VanDerWaalsContact CE1-O 3.29Å; H28-W132 PolarHBondContact ND1-O 2.92Å |
| 29 | K | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 31 Ų | 31 | 34% | 0.339 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.7 | -175 | 176.3 | 179.4 | 179.5 | 0 | 112.3 | N25 Q26 H31 V32 M33 | N25-K29 VanDerWaalsContact O-CB 3.27Å; N25-K29 WeakPolarHBondContact O-CB 3.45Å; N25-K29 PolarHBondContact O-N 2.83Å; N25-K29 VanDerWaalsContact O-N 3.14Å; Q26-K29 PolarHBondContact O-N 2.83Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 2.88Å; K29-V32 VanDerWaalsContact O-CG2 3.31Å; K29-V32 WeakPolarHBondContact O-CG2 3.18Å; K29-V32 PolarHBondContact O-N 2.88Å; K29-M33 HydrophobicContact CD-CE 4.13Å; K29-M33 HydrophobicContact CD-SD 4.48Å; K29-M33 HydrophobicContact CG-CE 3.73Å; K29-M33 HydrophobicContact CG-SD 3.85Å; K29-M33 WeakPolarHBondContact O-CB 3.45Å; K29-M33 VanDerWaalsContact O-CG 3.28Å; K29-M33 WeakPolarHBondContact O-CG 3.33Å; K29-M33 PolarHBondContact O-N 3.45Å |
| 30 | H | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 28.4 Ų | 28.4 | 30% | 0.296 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.2 | -39 | 176.8 | -91.4 | -94 | 0 | 0 | 0 | 112.1 | I10 G11 F12 Q26 V27 H28 S34 | I10-H30 HydrophobicContact CB-CB 4.15Å; I10-H30 HydrophobicContact CD1-CB 3.77Å; I10-H30 HydrophobicContact CG1-CB 4.09Å; I10-H30 PolarHBondContact O-ND1 2.77Å; G11-H30 PolarHBondContact O-CE1 2.96Å; G11-H30 PolarHBondContact O-ND1 2.77Å; F12-H30 HydrophobicContact CB-CB 4.37Å; Q26-H30 WeakPolarHBondContact O-CB 3.35Å; Q26-H30 PolarHBondContact O-CD2 2.99Å; Q26-H30 VanDerWaalsContact O-CD2 3.27Å; Q26-H30 PolarHBondContact O-N 2.88Å; V27-H30 PolarHBondContact O-N 2.87Å; H28-H30 PolarHBondContact O-N 3.4Å; H30-S34 WeakPolarHBondContact O-CB 3.47Å; H30-S34 PolarHBondContact O-N 2.93Å; H30-S34 VanDerWaalsContact O-N 3.15Å; H30-S34 PolarHBondContact O-OG 2.93Å |
| 31 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -56.6 | 175.7 | -173.1 | 117.1 | 0 | 0 | 0 | 111.3 | Y6 I10 V27 H28 K29 M33 S34 I35 N71 F75 V123 | Y6-H31 AromaticContact CE2-ND1 3.73Å; Y6-H31 AromaticContact CZ-ND1 3.71Å; Y6-H31 PolarHBondContact OH-ND1 2.8Å; I10-H31 HydrophobicContact CG2-CB 4.48Å; V27-H31 WeakPolarHBondContact O-CB 3.42Å; V27-H31 PolarHBondContact O-N 2.85Å; H28-H31 WeakPolarHBondContact O-CB 2.99Å; H28-H31 PolarHBondContact O-N 3.45Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 2.88Å; H31-M33 PolarHBondContact O-N 3.48Å; H31-M33 VanDerWaalsContact O-N 3.15Å; H31-S34 PolarHBondContact O-N 2.81Å; H31-I35 PolarHBondContact O-N 2.87Å; H31-N71 PolarHBondContact NE2-OD1 3.32Å; H31-F75 HydrophobicContact CB-CE2 4.24Å; H31-F75 AromaticContact ND1-CD2 3.62Å; H31-V123 HydrophobicContact CB-CG1 4.19Å; H31-V123 VanDerWaalsContact CD2-CB 3.48Å; H31-V123 WeakPolarHBondContact CD2-CB 3.44Å; H31-V123 WeakPolarHBondContact NE2-CG2 3.47Å |
| 32 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -22.6 | -174.2 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | H28 K29 V123 Q130 Q226 | H28-V32 PolarHBondContact O-N 2.9Å; H28-V32 VanDerWaalsContact O-N 3.08Å; K29-V32 VanDerWaalsContact O-CG2 3.31Å; K29-V32 WeakPolarHBondContact O-CG2 3.18Å; K29-V32 PolarHBondContact O-N 2.88Å; V32-V123 HydrophobicContact CG1-CB 3.94Å; V32-V123 HydrophobicContact CG1-CG1 4.14Å; V32-Q130 HydrophobicContact CB-CG 4.14Å; V32-Q130 HydrophobicContact CG1-CG 4.02Å; V32-Q226 HydrophobicContact CB-CB 4.47Å; V32-Q226 HydrophobicContact CB-CG 3.93Å; V32-Q226 HydrophobicContact CG2-CB 4.32Å; V32-Q226 HydrophobicContact CG2-CG 4.08Å; V32-Q226 VanDerWaalsContact O-CB 3.26Å; V32-Q226 WeakPolarHBondContact O-CB 3.49Å; V32-Q226 WeakPolarHBondContact O-CG 3.34Å; V32-Q226 PolarHBondContact O-N 2.78Å |
| 33 | M | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 19.8 Ų | 19.8 | 22% | 0.217 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -87.6 | -14.4 | 175.9 | -68.5 | -178.1 | 174.3 | 0 | 0 | 114.2 | K29 H31 W132 L225 Q226 T227 | K29-M33 HydrophobicContact CD-CE 4.13Å; K29-M33 HydrophobicContact CD-SD 4.48Å; K29-M33 HydrophobicContact CG-CE 3.73Å; K29-M33 HydrophobicContact CG-SD 3.85Å; K29-M33 WeakPolarHBondContact O-CB 3.45Å; K29-M33 VanDerWaalsContact O-CG 3.28Å; K29-M33 WeakPolarHBondContact O-CG 3.33Å; K29-M33 PolarHBondContact O-N 3.45Å; H31-M33 PolarHBondContact O-N 3.48Å; H31-M33 VanDerWaalsContact O-N 3.15Å; M33-W132 HydrophobicContact CE-CD2 4.18Å; M33-W132 HydrophobicContact CE-CE3 3.88Å; M33-W132 HydrophobicContact CE-CH2 3.91Å; M33-W132 HydrophobicContact CE-CZ2 4.2Å; M33-W132 HydrophobicContact CE-CZ3 3.73Å; M33-L225 WeakPolarHBondContact O-CD1 3.13Å; M33-Q226 WeakPolarHBondContact CA-O 3.39Å; M33-Q226 HydrophobicContact CG-CB 4.21Å; M33-T227 WeakPolarHBondContact CE-O 3.34Å |
| 34 | S | 98.6 | Very high | 98.6 | Very high | 28 Ų | 28 | 20.1 Ų | 20.1 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -115.9 | -31.3 | -173.9 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | R9 I10 H30 H31 | R9-S34 VanDerWaalsContact CZ-O 3.29Å; R9-S34 PolarHBondContact NH1-O 2.89Å; R9-S34 PolarHBondContact NH2-O 3.09Å; I10-S34 PolarHBondContact O-OG 3.21Å; I10-S34 VanDerWaalsContact O-OG 3.12Å; H30-S34 WeakPolarHBondContact O-CB 3.47Å; H30-S34 PolarHBondContact O-N 2.93Å; H30-S34 VanDerWaalsContact O-N 3.15Å; H30-S34 PolarHBondContact O-OG 2.93Å; H31-S34 PolarHBondContact O-N 2.81Å |
| 35 | I | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -112 | 116.3 | -174.6 | -61 | 167.5 | 0 | 0 | 0 | 108.9 | Y6 R9 I10 H31 I59 N71 | Y6-I35 HydrophobicContact CE2-CD1 4.04Å; R9-I35 HydrophobicContact CG-CD1 4.27Å; R9-I35 HydrophobicContact CG-CG1 4.28Å; I10-I35 HydrophobicContact CG2-CD1 3.5Å; I10-I35 HydrophobicContact CG2-CG1 4.07Å; H31-I35 PolarHBondContact O-N 2.87Å; I35-I59 HydrophobicContact CD1-CG2 3.73Å; I35-I59 HydrophobicContact CG1-CG2 4.07Å; I35-I59 HydrophobicContact CG2-CG2 3.62Å; I35-N71 WeakPolarHBondContact CG2-OD1 3.49Å |
| 36 | P | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -67.5 | 146.2 | -179.7 | -21.5 | 32.6 | 0 | 0 | 0 | 113.5 | E38 G65 G66 N71 S224 L225 F271 V273 | P36-E38 HydrophobicContact CB-CB 4.45Å; P36-E38 HydrophobicContact CB-CG 4.31Å; P36-G65 WeakPolarHBondContact O-CA 3.26Å; P36-G66 PolarHBondContact O-N 3.04Å; P36-G66 VanDerWaalsContact O-N 3.16Å; P36-N71 PolarHBondContact O-ND2 2.88Å; P36-S224 CarbonylContact C-O 3.55Å; P36-S224 VanDerWaalsContact CA-O 3.23Å; P36-S224 WeakPolarHBondContact CA-O 3.41Å; P36-S224 WeakPolarHBondContact CB-O 3.41Å; P36-L225 HydrophobicContact CG-CD1 4.16Å; P36-F271 HydrophobicContact CG-CB 4.37Å; P36-V273 HydrophobicContact CG-CG2 3.83Å | ||
| 37 | F | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114 | 155 | 167.6 | -97.8 | 0 | 0 | 0 | 108.3 | G66 W67 S124 F217 I222 C223 S224 | F37-G66 CarbonylContact C-O 3.42Å; F37-G66 VanDerWaalsContact CA-O 3.29Å; F37-G66 WeakPolarHBondContact CA-O 3.39Å; F37-W67 HydrophobicContact CE2-CB 4.12Å; F37-S124 WeakPolarHBondContact CD2-O 3.23Å; F37-F217 AromaticContact CZ-CE1 3.9Å; F37-F217 HydrophobicContact CZ-CE1 3.9Å; F37-F217 HydrophobicContact CZ-CZ 4.4Å; F37-I222 HydrophobicContact CD1-CG2 4.09Å; F37-I222 HydrophobicContact CE1-CG2 3.81Å; F37-C223 CarbonylContact O-C 3.52Å; F37-C223 WeakPolarHBondContact O-CA 3.46Å; F37-S224 PolarHBondContact N-O 2.9Å; F37-S224 PolarHBondContact O-N 2.84Å |
| 38 | E | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 152.6 | -174.5 | 62.6 | 91.1 | 165.9 | 0 | 0 | 113.9 | P36 L40 R64 G65 G66 W67 I222 C223 | P36-E38 HydrophobicContact CB-CB 4.45Å; P36-E38 HydrophobicContact CB-CG 4.31Å; E38-L40 HydrophobicContact CB-CD1 4.38Å; E38-L40 HydrophobicContact CB-CG 4.15Å; E38-L40 WeakPolarHBondContact OE2-CB 3.44Å; E38-L40 PolarHBondContact OE2-N 3.34Å; E38-R64 IonicContact OE1-CZ 3.38Å; E38-R64 IonicContact OE1-NE 3.07Å; E38-R64 PolarHBondContact OE1-NE 3.15Å; E38-R64 VanDerWaalsContact OE1-NE 3.16Å; E38-R64 IonicContact OE1-NH2 2.8Å; E38-R64 PolarHBondContact OE1-NH2 2.63Å; E38-R64 IonicContact OE2-NH2 3.1Å; E38-R64 PolarHBondContact OE2-NH2 3.41Å; E38-G65 PolarHBondContact OE1-N 2.82Å; E38-G65 VanDerWaalsContact OE1-O 3.13Å; E38-G66 PolarHBondContact N-O 2.86Å; E38-G66 CarbonylContact O-C 3.55Å; E38-G66 WeakPolarHBondContact O-CA 3.43Å; E38-W67 PolarHBondContact O-N 3.07Å; E38-I222 WeakPolarHBondContact CA-O 3.27Å; E38-I222 WeakPolarHBondContact CB-O 3.41Å; E38-C223 HydrophobicContact CB-CB 4.08Å |
| 39 | N | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -123.5 | 23.1 | 174.4 | 72.8 | -25.8 | 0 | 0 | 0 | 112.9 | S41 I42 H43 F217 K220 I222 | N39-S41 PolarHBondContact O-N 2.85Å; N39-I42 HydrophobicContact CB-CD1 4.09Å; N39-I42 WeakPolarHBondContact O-CB 3.24Å; N39-I42 PolarHBondContact O-N 3.28Å; N39-I42 VanDerWaalsContact O-N 3.11Å; N39-H43 PolarHBondContact ND2-NE2 3.37Å; N39-H43 PolarHBondContact O-CD2 3.3Å; N39-F217 HydrophobicContact CB-CD1 4Å; N39-F217 WeakPolarHBondContact ND2-CA 3.19Å; N39-F217 PolarHBondContact ND2-O 3.39Å; N39-K220 PolarHBondContact ND2-O 3.12Å; N39-I222 PolarHBondContact N-O 2.82Å; N39-I222 VanDerWaalsContact N-O 3.1Å; N39-I222 PolarHBondContact OD1-N 2.95Å; N39-I222 PolarHBondContact OD1-O 2.8Å | ||
| 40 | L | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -28 | -171.9 | -57.8 | 174.5 | 0 | 0 | 0 | 112.5 | E38 I42 H43 C44 C223 L267 V273 L275 L279 | E38-L40 HydrophobicContact CB-CD1 4.38Å; E38-L40 HydrophobicContact CB-CG 4.15Å; E38-L40 WeakPolarHBondContact OE2-CB 3.44Å; E38-L40 PolarHBondContact OE2-N 3.34Å; L40-I42 PolarHBondContact O-N 3.31Å; L40-H43 CarbonylContact O-C 3.44Å; L40-H43 PolarHBondContact O-N 2.92Å; L40-C44 WeakPolarHBondContact O-CB 3.38Å; L40-C44 PolarHBondContact O-N 2.89Å; L40-C44 PolarHBondContact O-SG 2.92Å; L40-C44 VanDerWaalsContact O-SG 3.39Å; L40-C223 HydrophobicContact CD1-CB 4.2Å; L40-C223 HydrophobicContact CD2-CB 4.45Å; L40-C223 HydrophobicContact CG-CB 4.49Å; L40-L267 HydrophobicContact CD1-CD1 4.03Å; L40-L267 HydrophobicContact CD1-CD2 3.74Å; L40-V273 HydrophobicContact CD1-CG1 4Å; L40-L275 HydrophobicContact CB-CD2 4.17Å; L40-L275 HydrophobicContact CD1-CD2 4.16Å; L40-L279 HydrophobicContact CB-CD1 4.35Å; L40-L279 HydrophobicContact CD2-CD1 4.07Å; L40-L279 HydrophobicContact CD2-CD2 4.05Å |
| 41 | S | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.1 | -41.8 | 174.2 | -77 | 0 | 0 | 0 | 0 | 112.3 | N39 H43 C44 G45 E46 K58 R64 | N39-S41 PolarHBondContact O-N 2.85Å; S41-H43 VanDerWaalsContact C-N 3.26Å; S41-H43 PolarHBondContact O-N 2.96Å; S41-C44 CarbonylContact O-C 3.43Å; S41-C44 PolarHBondContact O-N 2.77Å; S41-C44 VanDerWaalsContact O-N 3.13Å; S41-G45 PolarHBondContact O-N 2.94Å; S41-E46 CarbonylContact C-O 3.57Å; S41-E46 WeakPolarHBondContact CB-OE2 3.48Å; S41-E46 WeakPolarHBondContact O-CA 3.29Å; S41-E46 WeakPolarHBondContact O-CB 3.38Å; S41-E46 PolarHBondContact O-N 3.37Å; S41-E46 VanDerWaalsContact O-O 3.09Å; S41-E46 PolarHBondContact OG-OE2 3.44Å; S41-K58 PolarHBondContact OG-NZ 3.39Å; S41-R64 PolarHBondContact OG-NH2 2.73Å; S41-R64 VanDerWaalsContact OG-NH2 3.09Å |
| 42 | I | 98.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 177.6 | -58.1 | 174.8 | 0 | 0 | 0 | 110.6 | N39 L40 C44 G45 I48 W67 Q210 F217 | N39-I42 HydrophobicContact CB-CD1 4.09Å; N39-I42 WeakPolarHBondContact O-CB 3.24Å; N39-I42 PolarHBondContact O-N 3.28Å; N39-I42 VanDerWaalsContact O-N 3.11Å; L40-I42 PolarHBondContact O-N 3.31Å; I42-C44 VanDerWaalsContact C-N 3.28Å; I42-C44 PolarHBondContact O-N 3.36Å; I42-G45 PolarHBondContact O-N 3.4Å; I42-I48 HydrophobicContact CD1-CD1 3.9Å; I42-I48 HydrophobicContact CG1-CD1 3.7Å; I42-I48 HydrophobicContact CG1-CG1 4.25Å; I42-W67 HydrophobicContact CD1-CZ3 4.18Å; I42-Q210 HydrophobicContact CD1-CB 3.72Å; I42-Q210 HydrophobicContact CG1-CB 4.01Å; I42-F217 HydrophobicContact CD1-CB 3.86Å |
| 43 | H | 98.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -83.5 | -5.7 | -175.6 | -57.2 | -64.4 | 0 | 0 | 0 | 113.4 | N39 L40 S41 F217 K220 S221 L279 V280 I282 | N39-H43 PolarHBondContact ND2-NE2 3.37Å; N39-H43 PolarHBondContact O-CD2 3.3Å; L40-H43 CarbonylContact O-C 3.44Å; L40-H43 PolarHBondContact O-N 2.92Å; S41-H43 VanDerWaalsContact C-N 3.26Å; S41-H43 PolarHBondContact O-N 2.96Å; H43-F217 PolarHBondContact CE1-O 3.24Å; H43-F217 VanDerWaalsContact CE1-O 3.3Å; H43-F217 PolarHBondContact NE2-O 3.32Å; H43-K220 PolarHBondContact NE2-O 3.09Å; H43-K220 VanDerWaalsContact NE2-O 3.13Å; H43-S221 VanDerWaalsContact CD2-CB 3.46Å; H43-S221 WeakPolarHBondContact CD2-CB 3.45Å; H43-S221 WeakPolarHBondContact NE2-CA 3.48Å; H43-L279 HydrophobicContact CB-CD1 3.41Å; H43-L279 VanDerWaalsContact CB-CD1 3.41Å; H43-V280 PolarHBondContact O-N 2.98Å; H43-I282 WeakPolarHBondContact CE1-CG2 3.47Å; H43-I282 WeakPolarHBondContact ND1-CG2 3.43Å |
| 44 | C | 97.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 10% | 0.095 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 1.9 | 170.4 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | L40 S41 I42 E46 N277 | L40-C44 WeakPolarHBondContact O-CB 3.38Å; L40-C44 PolarHBondContact O-N 2.89Å; L40-C44 PolarHBondContact O-SG 2.92Å; L40-C44 VanDerWaalsContact O-SG 3.39Å; S41-C44 CarbonylContact O-C 3.43Å; S41-C44 PolarHBondContact O-N 2.77Å; S41-C44 VanDerWaalsContact O-N 3.13Å; I42-C44 VanDerWaalsContact C-N 3.28Å; I42-C44 PolarHBondContact O-N 3.36Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 HydrophobicContact CB-CG 4.11Å; C44-E46 PolarHBondContact O-N 3.17Å; C44-N277 HydrophobicContact CB-CB 4.07Å; C44-N277 PolarHBondContact SG-O 2.88Å |
| 45 | G | 96.4 | Very high | 97.2 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 77% | 0.773 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 15.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | S41 I42 | S41-G45 PolarHBondContact O-N 2.94Å; I42-G45 PolarHBondContact O-N 3.4Å |
| 46 | E | 96.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 23% | 0.229 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 148.1 | 176.7 | -58.5 | 166.6 | -179.5 | 0 | 0 | 110.3 | S41 C44 R64 N277 | S41-E46 CarbonylContact C-O 3.57Å; S41-E46 WeakPolarHBondContact CB-OE2 3.48Å; S41-E46 WeakPolarHBondContact O-CA 3.29Å; S41-E46 WeakPolarHBondContact O-CB 3.38Å; S41-E46 PolarHBondContact O-N 3.37Å; S41-E46 VanDerWaalsContact O-O 3.09Å; S41-E46 PolarHBondContact OG-OE2 3.44Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 HydrophobicContact CB-CG 4.11Å; C44-E46 PolarHBondContact O-N 3.17Å; E46-R64 IonicContact OE2-NH1 3.91Å; E46-R64 PolarHBondContact OE2-NH1 3.2Å; E46-N277 PolarHBondContact OE1-ND2 3.23Å |
| 47 | K | 94.8 | Very high | 97.2 | Very high | 152 Ų | 152 | 39.2 Ų | 39.2 | 66% | 0.661 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -87.8 | 134.3 | 174.8 | -176 | 175.2 | 179.3 | 179.4 | 0 | 110.5 | ||
| 48 | I | 95.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 133.1 | 167.3 | -60.1 | 174.3 | 0 | 0 | 0 | 109.5 | I42 W67 E70 Q210 | I42-I48 HydrophobicContact CD1-CD1 3.9Å; I42-I48 HydrophobicContact CG1-CD1 3.7Å; I42-I48 HydrophobicContact CG1-CG1 4.25Å; I48-W67 HydrophobicContact CB-CZ2 3.89Å; I48-W67 HydrophobicContact CD1-CD2 3.77Å; I48-W67 HydrophobicContact CD1-CE3 3.96Å; I48-W67 HydrophobicContact CD1-CG 4.3Å; I48-W67 HydrophobicContact CD1-CH2 4.06Å; I48-W67 HydrophobicContact CD1-CZ2 3.86Å; I48-W67 HydrophobicContact CD1-CZ3 4.1Å; I48-W67 HydrophobicContact CG1-CZ2 4.48Å; I48-W67 HydrophobicContact CG2-CD2 4.47Å; I48-W67 VanDerWaalsContact CG2-CE2 3.49Å; I48-W67 HydrophobicContact CG2-CZ2 3.6Å; I48-E70 HydrophobicContact CG2-CG 3.68Å; I48-Q210 PolarHBondContact O-NE2 3.1Å; I48-Q210 VanDerWaalsContact O-NE2 3.1Å; I48-Q210 PolarHBondContact O-OE1 2.96Å |
| 49 | T | 93.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 23% | 0.233 | 22% | 0.215 | C | C | . | . | trans | -116.9 | 164.4 | -173.1 | 104.2 | 0 | 0 | 0 | 0 | 111.2 | D51 L54 | T49-D51 WeakPolarHBondContact OG1-CB 3.39Å; T49-D51 PolarHBondContact OG1-N 3.36Å; T49-L54 HydrophobicContact CG2-CD1 3.97Å | ||
| 50 | M | 94.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | trans | -107.3 | 14 | 168.4 | -64 | -64.9 | -69.9 | 0 | 0 | 111.8 | C69 L73 L108 F199 F202 L203 | M50-C69 HydrophobicContact CE-CB 4.12Å; M50-C69 HydrophobicContact SD-CB 3.57Å; M50-C69 VanDerWaalsContact SD-CB 3.57Å; M50-L73 HydrophobicContact CE-CD2 4.05Å; M50-L108 HydrophobicContact CE-CD1 4.38Å; M50-F199 HydrophobicContact CB-CD2 4.33Å; M50-F199 HydrophobicContact CE-CB 4.06Å; M50-F202 HydrophobicContact CE-CB 4Å; M50-L203 HydrophobicContact CB-CD2 3.84Å; M50-L203 HydrophobicContact CG-CD2 3.78Å | ||
| 51 | D | 96.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | trans | -80.5 | 122.6 | 178.7 | -176.6 | -71.8 | 0 | 0 | 0 | 110 | T49 E53 L54 I55 | T49-D51 WeakPolarHBondContact OG1-CB 3.39Å; T49-D51 PolarHBondContact OG1-N 3.36Å; D51-E53 VanDerWaalsContact C-N 3.32Å; D51-E53 PolarHBondContact O-N 2.95Å; D51-E53 WeakPolarHBondContact OD1-CA 3.28Å; D51-E53 PolarHBondContact OD1-N 3.45Å; D51-L54 HydrophobicContact CB-CB 4.09Å; D51-L54 HydrophobicContact CB-CD1 3.98Å; D51-L54 HydrophobicContact CB-CG 4.01Å; D51-L54 PolarHBondContact O-N 3.48Å; D51-L54 PolarHBondContact OD1-N 3.28Å; D51-I55 WeakPolarHBondContact O-CB 3.35Å; D51-I55 WeakPolarHBondContact O-CD1 3.38Å; D51-I55 WeakPolarHBondContact O-CG1 3.48Å; D51-I55 PolarHBondContact O-N 2.86Å | ||
| 52 | H | 95.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | -174.1 | -69.3 | 77.5 | 0 | 0 | 0 | 112.6 | M1 F56 L73 | M1-H52 HydrophobicContact CE-CB 3.78Å; M1-H52 HydrophobicContact SD-CB 3.94Å; H52-F56 VanDerWaalsContact O-CB 3.26Å; H52-F56 WeakPolarHBondContact O-CB 3.27Å; H52-F56 PolarHBondContact O-N 3.23Å; H52-L73 WeakPolarHBondContact NE2-CD1 3.48Å |
| 53 | E | 97.4 | Very high | 97 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.6 | -41 | -178.2 | -176.7 | 167.7 | -162.1 | 0 | 0 | 111 | D51 F56 N57 | D51-E53 VanDerWaalsContact C-N 3.32Å; D51-E53 PolarHBondContact O-N 2.95Å; D51-E53 WeakPolarHBondContact OD1-CA 3.28Å; D51-E53 PolarHBondContact OD1-N 3.45Å; E53-F56 PolarHBondContact O-N 3.19Å; E53-N57 WeakPolarHBondContact O-CB 3.29Å; E53-N57 PolarHBondContact O-N 3.13Å; E53-N57 PolarHBondContact O-ND2 3.22Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å |
| 54 | L | 97.8 | Very high | 97 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.6 | -62.7 | -177.3 | 0 | 0 | 0 | 111.8 | T49 D51 N57 K58 | T49-L54 HydrophobicContact CG2-CD1 3.97Å; D51-L54 HydrophobicContact CB-CB 4.09Å; D51-L54 HydrophobicContact CB-CD1 3.98Å; D51-L54 HydrophobicContact CB-CG 4.01Å; D51-L54 PolarHBondContact O-N 3.48Å; D51-L54 PolarHBondContact OD1-N 3.28Å; L54-N57 PolarHBondContact O-N 2.91Å; L54-K58 VanDerWaalsContact O-CB 3.32Å; L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.36Å |
| 55 | I | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 175 | -71.9 | 165.3 | 0 | 0 | 0 | 110.4 | D51 N57 K58 I59 E70 L73 L74 | D51-I55 WeakPolarHBondContact O-CB 3.35Å; D51-I55 WeakPolarHBondContact O-CD1 3.38Å; D51-I55 WeakPolarHBondContact O-CG1 3.48Å; D51-I55 PolarHBondContact O-N 2.86Å; I55-N57 PolarHBondContact O-N 3.42Å; I55-K58 PolarHBondContact O-N 2.69Å; I55-I59 HydrophobicContact CG2-CD1 3.76Å; I55-I59 HydrophobicContact CG2-CG1 4.46Å; I55-I59 WeakPolarHBondContact O-CB 3.44Å; I55-I59 PolarHBondContact O-N 2.81Å; I55-E70 HydrophobicContact CD1-CB 4.39Å; I55-E70 HydrophobicContact CD1-CG 4.29Å; I55-E70 HydrophobicContact CG1-CB 4.23Å; I55-E70 HydrophobicContact CG1-CG 4.06Å; I55-E70 HydrophobicContact CG2-CB 4.17Å; I55-E70 WeakPolarHBondContact CG2-O 3.22Å; I55-L73 HydrophobicContact CD1-CD2 3.81Å; I55-L74 HydrophobicContact CG2-CB 4.01Å |
| 56 | F | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 178.9 | -175.1 | -85.4 | 0 | 0 | 0 | 111.5 | M1 N2 E5 H52 E53 K58 V60 R61 L74 W77 | M1-F56 HydrophobicContact CB-CD1 4.41Å; M1-F56 HydrophobicContact CB-CD2 3.66Å; M1-F56 HydrophobicContact CB-CE2 3.87Å; M1-F56 HydrophobicContact CB-CG 3.97Å; M1-F56 HydrophobicContact CB-CZ 4.34Å; M1-F56 HydrophobicContact CG-CB 3.68Å; M1-F56 HydrophobicContact CG-CD1 4.2Å; M1-F56 HydrophobicContact CG-CD2 3.69Å; M1-F56 HydrophobicContact CG-CE2 4.39Å; M1-F56 HydrophobicContact CG-CG 3.58Å; M1-F56 HydrophobicContact SD-CB 3.82Å; M1-F56 HydrophobicContact SD-CD2 4.02Å; M1-F56 HydrophobicContact SD-CG 4.16Å; N2-F56 VanDerWaalsContact N-CZ 3.34Å; N2-F56 VanDerWaalsContact O-CZ 3.32Å; N2-F56 WeakPolarHBondContact O-CZ 3.12Å; E5-F56 HydrophobicContact CB-CZ 3.97Å; H52-F56 VanDerWaalsContact O-CB 3.26Å; H52-F56 WeakPolarHBondContact O-CB 3.27Å; H52-F56 PolarHBondContact O-N 3.23Å; E53-F56 PolarHBondContact O-N 3.19Å; F56-K58 PolarHBondContact O-N 3.31Å; F56-V60 HydrophobicContact CD1-CB 4.28Å; F56-V60 HydrophobicContact CD2-CB 4.39Å; F56-V60 HydrophobicContact CD2-CG2 3.84Å; F56-V60 HydrophobicContact CE1-CB 4.07Å; F56-V60 HydrophobicContact CE1-CG1 4.08Å; F56-V60 HydrophobicContact CE2-CB 4.2Å; F56-V60 HydrophobicContact CE2-CG1 4.25Å; F56-V60 HydrophobicContact CE2-CG2 3.78Å; F56-V60 HydrophobicContact CG-CB 4.43Å; F56-V60 HydrophobicContact CG-CG2 4.24Å; F56-V60 HydrophobicContact CZ-CB 4.02Å; F56-V60 HydrophobicContact CZ-CG1 3.78Å; F56-V60 HydrophobicContact CZ-CG2 4.12Å; F56-V60 WeakPolarHBondContact O-CA 3.2Å; F56-V60 WeakPolarHBondContact O-CB 3.34Å; F56-V60 PolarHBondContact O-N 3.41Å; F56-R61 HydrophobicContact CE1-CG 4.33Å; F56-L74 HydrophobicContact CD2-CD1 3.83Å; F56-W77 HydrophobicContact CD2-CE3 4.4Å; F56-W77 HydrophobicContact CD2-CH2 4.2Å; F56-W77 AromaticContact CD2-CZ3 3.9Å; F56-W77 HydrophobicContact CD2-CZ3 3.9Å; F56-W77 AromaticContact CE2-CH2 3.67Å; F56-W77 HydrophobicContact CE2-CH2 3.67Å; F56-W77 AromaticContact CE2-CZ3 3.62Å; F56-W77 HydrophobicContact CE2-CZ3 3.62Å |
| 57 | N | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -59.9 | -46.8 | 177.6 | -71.6 | -28.6 | 0 | 0 | 0 | 111.3 | E53 L54 I55 R61 S62 | E53-N57 WeakPolarHBondContact O-CB 3.29Å; E53-N57 PolarHBondContact O-N 3.13Å; E53-N57 PolarHBondContact O-ND2 3.22Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å; L54-N57 PolarHBondContact O-N 2.91Å; I55-N57 PolarHBondContact O-N 3.42Å; N57-R61 CarbonylContact O-C 3.57Å; N57-R61 WeakPolarHBondContact O-CA 3.41Å; N57-R61 WeakPolarHBondContact O-CB 3.19Å; N57-R61 PolarHBondContact O-N 2.96Å; N57-R61 VanDerWaalsContact O-N 3.1Å; N57-R61 WeakPolarHBondContact OD1-CD 3.2Å; N57-R61 PolarHBondContact OD1-NH1 3.18Å; N57-S62 PolarHBondContact O-N 2.6Å; N57-S62 PolarHBondContact O-OG 3.23Å |
| 58 | K | 98.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 13% | 0.13 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -59.2 | -59.3 | 177.1 | 175.2 | 180 | 171.4 | -168.7 | 0 | 111.4 | S41 L54 I55 F56 S62 R64 G65 E70 | S41-K58 PolarHBondContact OG-NZ 3.39Å; L54-K58 VanDerWaalsContact O-CB 3.32Å; L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.36Å; I55-K58 PolarHBondContact O-N 2.69Å; F56-K58 PolarHBondContact O-N 3.31Å; K58-S62 CarbonylContact O-C 3.53Å; K58-S62 WeakPolarHBondContact O-CB 3.37Å; K58-S62 PolarHBondContact O-N 3.39Å; K58-R64 HydrophobicContact CG-CB 3.64Å; K58-R64 HydrophobicContact CG-CG 4.11Å; K58-R64 WeakPolarHBondContact O-CB 3.46Å; K58-R64 PolarHBondContact O-N 3.11Å; K58-R64 VanDerWaalsContact O-N 3.16Å; K58-G65 WeakPolarHBondContact CE-O 3.38Å; K58-E70 WeakPolarHBondContact CD-OE1 3.46Å; K58-E70 VanDerWaalsContact NZ-CD 3.3Å; K58-E70 IonicContact NZ-OE1 3.97Å; K58-E70 PolarHBondContact NZ-OE1 3.47Å; K58-E70 IonicContact NZ-OE2 3.54Å; K58-E70 PolarHBondContact NZ-OE2 3.22Å |
| 59 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -72.9 | -47.4 | -170.7 | -66.9 | 177.5 | 0 | 0 | 0 | 111.7 | R9 I35 I55 G65 E70 L74 | R9-I59 WeakPolarHBondContact CD-O 3.32Å; R9-I59 PolarHBondContact NE-O 3.46Å; I35-I59 HydrophobicContact CD1-CG2 3.73Å; I35-I59 HydrophobicContact CG1-CG2 4.07Å; I35-I59 HydrophobicContact CG2-CG2 3.62Å; I55-I59 HydrophobicContact CG2-CD1 3.76Å; I55-I59 HydrophobicContact CG2-CG1 4.46Å; I55-I59 WeakPolarHBondContact O-CB 3.44Å; I55-I59 PolarHBondContact O-N 2.81Å; I59-G65 WeakPolarHBondContact CG1-O 3.27Å; I59-E70 HydrophobicContact CD1-CB 4.15Å; I59-L74 HydrophobicContact CB-CD2 3.91Å; I59-L74 HydrophobicContact CD1-CD2 3.91Å; I59-L74 HydrophobicContact CG2-CD2 3.55Å |
| 60 | V | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -86.7 | -49.6 | -171.2 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | E5 Y6 R9 F56 L74 | E5-V60 HydrophobicContact CB-CG1 3.92Å; E5-V60 WeakPolarHBondContact O-CG1 3.49Å; Y6-V60 HydrophobicContact CD2-CG2 4.17Å; R9-V60 HydrophobicContact CB-CG1 3.94Å; F56-V60 HydrophobicContact CD1-CB 4.28Å; F56-V60 HydrophobicContact CD2-CB 4.39Å; F56-V60 HydrophobicContact CD2-CG2 3.84Å; F56-V60 HydrophobicContact CE1-CB 4.07Å; F56-V60 HydrophobicContact CE1-CG1 4.08Å; F56-V60 HydrophobicContact CE2-CB 4.2Å; F56-V60 HydrophobicContact CE2-CG1 4.25Å; F56-V60 HydrophobicContact CE2-CG2 3.78Å; F56-V60 HydrophobicContact CG-CB 4.43Å; F56-V60 HydrophobicContact CG-CG2 4.24Å; F56-V60 HydrophobicContact CZ-CB 4.02Å; F56-V60 HydrophobicContact CZ-CG1 3.78Å; F56-V60 HydrophobicContact CZ-CG2 4.12Å; F56-V60 WeakPolarHBondContact O-CA 3.2Å; F56-V60 WeakPolarHBondContact O-CB 3.34Å; F56-V60 PolarHBondContact O-N 3.41Å; V60-L74 HydrophobicContact CG2-CD2 4.18Å |
| 61 | R | 98 | Very high | 97.7 | Very high | 121 Ų | 121 | 34.6 Ų | 34.6 | 46% | 0.457 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -87.9 | -29.6 | -172.2 | -60.5 | -178.8 | 175.9 | 162.1 | -13.1 | 113.4 | E5 F56 N57 | E5-R61 IonicContact OE1-CZ 3.65Å; E5-R61 IonicContact OE1-NE 3.17Å; E5-R61 IonicContact OE1-NH2 2.59Å; E5-R61 PolarHBondContact OE1-NH2 2.84Å; E5-R61 VanDerWaalsContact OE1-NH2 3.1Å; E5-R61 IonicContact OE2-CZ 2.79Å; E5-R61 IonicContact OE2-NE 3.62Å; E5-R61 PolarHBondContact OE2-NE 2.91Å; E5-R61 IonicContact OE2-NH2 3.84Å; E5-R61 PolarHBondContact OE2-NH2 3.29Å; F56-R61 HydrophobicContact CE1-CG 4.33Å; N57-R61 CarbonylContact O-C 3.57Å; N57-R61 WeakPolarHBondContact O-CA 3.41Å; N57-R61 WeakPolarHBondContact O-CB 3.19Å; N57-R61 PolarHBondContact O-N 2.96Å; N57-R61 VanDerWaalsContact O-N 3.1Å; N57-R61 WeakPolarHBondContact OD1-CD 3.2Å; N57-R61 PolarHBondContact OD1-NH1 3.18Å |
| 62 | S | 97.1 | Very high | 97.8 | Very high | 71 Ų | 71 | 30.9 Ų | 30.9 | 50% | 0.497 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -100.8 | 8.1 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 114 | N57 K58 R64 | N57-S62 PolarHBondContact O-N 2.6Å; N57-S62 PolarHBondContact O-OG 3.23Å; K58-S62 CarbonylContact O-C 3.53Å; K58-S62 WeakPolarHBondContact O-CB 3.37Å; K58-S62 PolarHBondContact O-N 3.39Å; S62-R64 PolarHBondContact O-N 3.49Å; S62-R64 VanDerWaalsContact O-N 3.13Å |
| 63 | N | 96.8 | Very high | 97.9 | Very high | 66 Ų | 66 | 28.2 Ų | 28.2 | 35% | 0.353 | 14% | 0.141 | S | C | . | . | trans | 51.8 | 31.4 | -179 | -67.7 | -53 | 0 | 0 | 0 | 114.2 | R9 | R9-N63 VanDerWaalsContact CD-OD1 3.27Å; R9-N63 WeakPolarHBondContact CD-OD1 3.46Å | ||
| 64 | R | 98.1 | Very high | 98 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 5% | 0.045 | 12% | 0.115 | C | C | . | . | trans | -85.4 | 176.8 | 173.9 | -68.6 | -71.7 | -57.6 | -79.9 | -9.2 | 111.2 | R9 E38 S41 E46 K58 S62 L274 L275 | R9-R64 PolarHBondContact NH2-O 2.83Å; E38-R64 IonicContact OE1-CZ 3.38Å; E38-R64 IonicContact OE1-NE 3.07Å; E38-R64 PolarHBondContact OE1-NE 3.15Å; E38-R64 VanDerWaalsContact OE1-NE 3.16Å; E38-R64 IonicContact OE1-NH2 2.8Å; E38-R64 PolarHBondContact OE1-NH2 2.63Å; E38-R64 IonicContact OE2-NH2 3.1Å; E38-R64 PolarHBondContact OE2-NH2 3.41Å; S41-R64 PolarHBondContact OG-NH2 2.73Å; S41-R64 VanDerWaalsContact OG-NH2 3.09Å; E46-R64 IonicContact OE2-NH1 3.91Å; E46-R64 PolarHBondContact OE2-NH1 3.2Å; K58-R64 HydrophobicContact CG-CB 3.64Å; K58-R64 HydrophobicContact CG-CG 4.11Å; K58-R64 WeakPolarHBondContact O-CB 3.46Å; K58-R64 PolarHBondContact O-N 3.11Å; K58-R64 VanDerWaalsContact O-N 3.16Å; S62-R64 PolarHBondContact O-N 3.49Å; S62-R64 VanDerWaalsContact O-N 3.13Å; R64-L274 WeakPolarHBondContact CD-O 3.32Å; R64-L275 VanDerWaalsContact CZ-CD2 3.48Å | ||
| 65 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -106.5 | -154 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P36 E38 K58 I59 | P36-G65 WeakPolarHBondContact O-CA 3.26Å; E38-G65 PolarHBondContact OE1-N 2.82Å; E38-G65 VanDerWaalsContact OE1-O 3.13Å; K58-G65 WeakPolarHBondContact CE-O 3.38Å; I59-G65 WeakPolarHBondContact CG1-O 3.27Å | ||
| 66 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -171.6 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P36 F37 E38 E70 N71 | P36-G66 PolarHBondContact O-N 3.04Å; P36-G66 VanDerWaalsContact O-N 3.16Å; F37-G66 CarbonylContact C-O 3.42Å; F37-G66 VanDerWaalsContact CA-O 3.29Å; F37-G66 WeakPolarHBondContact CA-O 3.39Å; E38-G66 PolarHBondContact N-O 2.86Å; E38-G66 CarbonylContact O-C 3.55Å; E38-G66 WeakPolarHBondContact O-CA 3.43Å; G66-E70 WeakPolarHBondContact CA-OE2 3.39Å; G66-N71 PolarHBondContact N-ND2 2.93Å; G66-N71 PolarHBondContact O-ND2 2.77Å |
| 67 | W | 96.8 | Very high | 98 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | trans | -85.8 | -172.8 | 170.5 | 66.5 | -0.8 | 0 | 0 | 0 | 110.8 | F37 E38 I42 I48 C69 E70 N71 S206 L209 Q210 F217 | F37-W67 HydrophobicContact CE2-CB 4.12Å; E38-W67 PolarHBondContact O-N 3.07Å; I42-W67 HydrophobicContact CD1-CZ3 4.18Å; I48-W67 HydrophobicContact CB-CZ2 3.89Å; I48-W67 HydrophobicContact CD1-CD2 3.77Å; I48-W67 HydrophobicContact CD1-CE3 3.96Å; I48-W67 HydrophobicContact CD1-CG 4.3Å; I48-W67 HydrophobicContact CD1-CH2 4.06Å; I48-W67 HydrophobicContact CD1-CZ2 3.86Å; I48-W67 HydrophobicContact CD1-CZ3 4.1Å; I48-W67 HydrophobicContact CG1-CZ2 4.48Å; I48-W67 HydrophobicContact CG2-CD2 4.47Å; I48-W67 VanDerWaalsContact CG2-CE2 3.49Å; I48-W67 HydrophobicContact CG2-CZ2 3.6Å; W67-C69 VanDerWaalsContact C-N 3.32Å; W67-C69 PolarHBondContact O-N 3.15Å; W67-E70 PolarHBondContact N-OE2 2.59Å; W67-E70 PolarHBondContact O-N 3.16Å; W67-E70 VanDerWaalsContact O-N 3.11Å; W67-N71 PolarHBondContact O-N 2.68Å; W67-N71 VanDerWaalsContact O-N 3.08Å; W67-S206 WeakPolarHBondContact CH2-O 3.4Å; W67-S206 WeakPolarHBondContact CZ2-OG 3.26Å; W67-L209 HydrophobicContact CH2-CB 3.82Å; W67-L209 HydrophobicContact CZ3-CB 3.73Å; W67-Q210 HydrophobicContact CH2-CB 3.83Å; W67-Q210 HydrophobicContact CH2-CG 4.48Å; W67-Q210 HydrophobicContact CZ3-CB 4.34Å; W67-F217 HydrophobicContact CE3-CD1 4.1Å; W67-F217 HydrophobicContact CE3-CD2 4.03Å; W67-F217 HydrophobicContact CE3-CE1 4.27Å; W67-F217 HydrophobicContact CE3-CE2 4.2Å; W67-F217 AromaticContact CE3-CG 3.97Å; W67-F217 HydrophobicContact CE3-CG 3.97Å; W67-F217 HydrophobicContact CE3-CZ 4.32Å; W67-F217 HydrophobicContact CZ3-CB 4.23Å; W67-F217 AromaticContact CZ3-CD2 3.92Å; W67-F217 HydrophobicContact CZ3-CD2 3.92Å; W67-F217 HydrophobicContact CZ3-CE2 4.42Å; W67-F217 HydrophobicContact CZ3-CG 4.01Å | ||
| 68 | C | 97.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.2 | -42.9 | -172.7 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | E70 N72 H107 S124 | C68-E70 VanDerWaalsContact C-N 3.31Å; C68-E70 PolarHBondContact O-N 2.91Å; C68-N72 VanDerWaalsContact O-CB 3.27Å; C68-N72 WeakPolarHBondContact O-CB 3.46Å; C68-N72 PolarHBondContact O-N 2.86Å; C68-H107 WeakPolarHBondContact CB-CE1 3.44Å; C68-H107 WeakPolarHBondContact CB-ND1 3Å; C68-H107 PolarHBondContact SG-ND1 2.96Å; C68-H107 VanDerWaalsContact SG-ND1 3.41Å; C68-S124 WeakPolarHBondContact CB-O 3.43Å |
| 69 | C | 97.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.02 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.7 | -29.9 | -177 | -68 | 0 | 0 | 0 | 0 | 112.7 | M50 W67 L73 | M50-C69 HydrophobicContact CE-CB 4.12Å; M50-C69 HydrophobicContact SD-CB 3.57Å; M50-C69 VanDerWaalsContact SD-CB 3.57Å; W67-C69 VanDerWaalsContact C-N 3.32Å; W67-C69 PolarHBondContact O-N 3.15Å; C69-L73 WeakPolarHBondContact O-CB 3.36Å; C69-L73 PolarHBondContact O-N 2.79Å |
| 70 | E | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.3 | -51.8 | 177.9 | -65.8 | 174.8 | 107.7 | 0 | 0 | 110.4 | I48 I55 K58 I59 G66 W67 C68 L74 | I48-E70 HydrophobicContact CG2-CG 3.68Å; I55-E70 HydrophobicContact CD1-CB 4.39Å; I55-E70 HydrophobicContact CD1-CG 4.29Å; I55-E70 HydrophobicContact CG1-CB 4.23Å; I55-E70 HydrophobicContact CG1-CG 4.06Å; I55-E70 HydrophobicContact CG2-CB 4.17Å; I55-E70 WeakPolarHBondContact CG2-O 3.22Å; K58-E70 WeakPolarHBondContact CD-OE1 3.46Å; K58-E70 VanDerWaalsContact NZ-CD 3.3Å; K58-E70 IonicContact NZ-OE1 3.97Å; K58-E70 PolarHBondContact NZ-OE1 3.47Å; K58-E70 IonicContact NZ-OE2 3.54Å; K58-E70 PolarHBondContact NZ-OE2 3.22Å; I59-E70 HydrophobicContact CD1-CB 4.15Å; G66-E70 WeakPolarHBondContact CA-OE2 3.39Å; W67-E70 PolarHBondContact N-OE2 2.59Å; W67-E70 PolarHBondContact O-N 3.16Å; W67-E70 VanDerWaalsContact O-N 3.11Å; C68-E70 VanDerWaalsContact C-N 3.31Å; C68-E70 PolarHBondContact O-N 2.91Å; E70-L74 WeakPolarHBondContact O-CB 3.35Å; E70-L74 PolarHBondContact O-N 2.92Å |
| 71 | N | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.3 | -47.6 | -176.8 | -84.2 | -59 | 0 | 0 | 0 | 112.9 | H31 I35 P36 G66 W67 L73 L74 F75 V123 S124 | H31-N71 PolarHBondContact NE2-OD1 3.32Å; I35-N71 WeakPolarHBondContact CG2-OD1 3.49Å; P36-N71 PolarHBondContact O-ND2 2.88Å; G66-N71 PolarHBondContact N-ND2 2.93Å; G66-N71 PolarHBondContact O-ND2 2.77Å; W67-N71 PolarHBondContact O-N 2.68Å; W67-N71 VanDerWaalsContact O-N 3.08Å; N71-L73 VanDerWaalsContact C-N 3.31Å; N71-L73 PolarHBondContact O-N 3.12Å; N71-L74 PolarHBondContact O-N 2.95Å; N71-F75 VanDerWaalsContact O-CB 3.31Å; N71-F75 WeakPolarHBondContact O-CB 3.3Å; N71-F75 PolarHBondContact O-N 3.44Å; N71-V123 HydrophobicContact CB-CG2 4.33Å; N71-S124 VanDerWaalsContact CB-OG 3.27Å; N71-S124 WeakPolarHBondContact CB-OG 3.47Å; N71-S124 PolarHBondContact ND2-OG 3.33Å |
| 72 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.1 | -23.5 | -178.3 | -74.6 | -47.7 | 0 | 0 | 0 | 112 | C68 A76 L108 N110 D122 V123 | C68-N72 VanDerWaalsContact O-CB 3.27Å; C68-N72 WeakPolarHBondContact O-CB 3.46Å; C68-N72 PolarHBondContact O-N 2.86Å; N72-A76 WeakPolarHBondContact O-CB 3.31Å; N72-A76 PolarHBondContact O-N 2.76Å; N72-L108 HydrophobicContact CB-CD2 3.36Å; N72-L108 WeakPolarHBondContact CB-O 3.42Å; N72-L108 PolarHBondContact ND2-O 3.23Å; N72-N110 PolarHBondContact O-ND2 3.38Å; N72-D122 PolarHBondContact ND2-OD1 3.45Å; N72-V123 WeakPolarHBondContact OD1-CG2 3.07Å; N72-V123 PolarHBondContact OD1-N 2.84Å |
| 73 | L | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.4 | -43.7 | 169.8 | -172.8 | 67.1 | 0 | 0 | 0 | 111.4 | M50 H52 I55 C69 N71 F75 A76 W77 F199 | M50-L73 HydrophobicContact CE-CD2 4.05Å; H52-L73 WeakPolarHBondContact NE2-CD1 3.48Å; I55-L73 HydrophobicContact CD1-CD2 3.81Å; C69-L73 WeakPolarHBondContact O-CB 3.36Å; C69-L73 PolarHBondContact O-N 2.79Å; N71-L73 VanDerWaalsContact C-N 3.31Å; N71-L73 PolarHBondContact O-N 3.12Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 2.57Å; L73-A76 WeakPolarHBondContact O-CB 3.44Å; L73-A76 PolarHBondContact O-N 3.16Å; L73-W77 PolarHBondContact O-N 2.8Å; L73-W77 VanDerWaalsContact O-N 3.13Å; L73-F199 HydrophobicContact CD1-CB 4.06Å; L73-F199 HydrophobicContact CD2-CB 4.41Å |
| 74 | L | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 170.4 | 175.6 | 64.6 | 0 | 0 | 0 | 110.7 | Y6 I55 F56 I59 V60 E70 N71 A76 W77 V78 | Y6-L74 HydrophobicContact CD2-CD2 4.26Å; Y6-L74 HydrophobicContact CD2-CG 4.5Å; Y6-L74 HydrophobicContact CE2-CD2 4.24Å; Y6-L74 HydrophobicContact CE2-CG 4.47Å; I55-L74 HydrophobicContact CG2-CB 4.01Å; F56-L74 HydrophobicContact CD2-CD1 3.83Å; I59-L74 HydrophobicContact CB-CD2 3.91Å; I59-L74 HydrophobicContact CD1-CD2 3.91Å; I59-L74 HydrophobicContact CG2-CD2 3.55Å; V60-L74 HydrophobicContact CG2-CD2 4.18Å; E70-L74 WeakPolarHBondContact O-CB 3.35Å; E70-L74 PolarHBondContact O-N 2.92Å; N71-L74 PolarHBondContact O-N 2.95Å; L74-A76 PolarHBondContact O-N 3.38Å; L74-W77 HydrophobicContact CD1-CE3 3.8Å; L74-W77 HydrophobicContact CD1-CZ3 4.19Å; L74-W77 WeakPolarHBondContact O-CB 3.21Å; L74-W77 PolarHBondContact O-N 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 2.83Å |
| 75 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -35.7 | -179.8 | -159.3 | -107.9 | 0 | 0 | 0 | 112.2 | L24 V27 H28 H31 N71 L73 W77 V78 L79 A121 V123 | L24-F75 HydrophobicContact CD1-CE1 4.23Å; L24-F75 HydrophobicContact CD1-CZ 4.12Å; V27-F75 HydrophobicContact CG1-CE2 4.04Å; V27-F75 HydrophobicContact CG1-CZ 4.49Å; H28-F75 HydrophobicContact CB-CZ 4.09Å; H31-F75 HydrophobicContact CB-CE2 4.24Å; H31-F75 AromaticContact ND1-CD2 3.62Å; N71-F75 VanDerWaalsContact O-CB 3.31Å; N71-F75 WeakPolarHBondContact O-CB 3.3Å; N71-F75 PolarHBondContact O-N 3.44Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 2.57Å; F75-W77 VanDerWaalsContact C-N 3.31Å; F75-W77 PolarHBondContact O-N 3.47Å; F75-V78 PolarHBondContact O-N 3.09Å; F75-L79 HydrophobicContact CD1-CD1 3.7Å; F75-L79 HydrophobicContact CD1-CD2 4.44Å; F75-L79 HydrophobicContact CD1-CG 3.93Å; F75-L79 HydrophobicContact CE1-CD1 3.83Å; F75-L79 HydrophobicContact CE1-CD2 3.87Å; F75-L79 HydrophobicContact CE1-CG 3.88Å; F75-L79 HydrophobicContact CZ-CD2 4.31Å; F75-L79 WeakPolarHBondContact O-CB 3.27Å; F75-L79 VanDerWaalsContact O-CG 3.22Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 3.17Å; F75-A121 HydrophobicContact CE1-CB 4.06Å; F75-V123 HydrophobicContact CB-CG2 3.68Å; F75-V123 HydrophobicContact CD1-CG1 3.92Å; F75-V123 HydrophobicContact CD1-CG2 4.31Å; F75-V123 HydrophobicContact CD2-CG1 3.79Å; F75-V123 HydrophobicContact CD2-CG2 4.06Å; F75-V123 HydrophobicContact CE1-CG1 3.89Å; F75-V123 HydrophobicContact CE2-CG1 3.74Å; F75-V123 HydrophobicContact CG-CG1 3.87Å; F75-V123 HydrophobicContact CG-CG2 3.77Å; F75-V123 HydrophobicContact CZ-CG1 3.8Å |
| 76 | A | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 26 Ų | 26 | 10% | 0.099 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N72 L73 L74 K80 P86 N110 | N72-A76 WeakPolarHBondContact O-CB 3.31Å; N72-A76 PolarHBondContact O-N 2.76Å; L73-A76 WeakPolarHBondContact O-CB 3.44Å; L73-A76 PolarHBondContact O-N 3.16Å; L74-A76 PolarHBondContact O-N 3.38Å; A76-K80 PolarHBondContact O-N 3.1Å; A76-K80 VanDerWaalsContact O-N 3.12Å; A76-P86 WeakPolarHBondContact O-CG 3.25Å; A76-N110 WeakPolarHBondContact CB-OD1 3.45Å |
| 77 | W | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 11% | 0.106 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 172.9 | 168.5 | 74.4 | 0 | 0 | 0 | 111.4 | M1 L3 F56 L73 L74 F75 L79 K80 E81 | M1-W77 HydrophobicContact CB-CD2 4.32Å; M1-W77 HydrophobicContact CB-CH2 3.76Å; M1-W77 HydrophobicContact CB-CZ2 3.33Å; M1-W77 HydrophobicContact CB-CZ3 4.39Å; M1-W77 HydrophobicContact CE-CD2 4.05Å; M1-W77 HydrophobicContact CE-CG 3.81Å; M1-W77 HydrophobicContact SD-CD2 3.98Å; M1-W77 HydrophobicContact SD-CE3 4.41Å; M1-W77 HydrophobicContact SD-CG 4.19Å; L3-W77 HydrophobicContact CB-CH2 4.48Å; F56-W77 HydrophobicContact CD2-CE3 4.4Å; F56-W77 HydrophobicContact CD2-CH2 4.2Å; F56-W77 AromaticContact CD2-CZ3 3.9Å; F56-W77 HydrophobicContact CD2-CZ3 3.9Å; F56-W77 AromaticContact CE2-CH2 3.67Å; F56-W77 HydrophobicContact CE2-CH2 3.67Å; F56-W77 AromaticContact CE2-CZ3 3.62Å; F56-W77 HydrophobicContact CE2-CZ3 3.62Å; L73-W77 PolarHBondContact O-N 2.8Å; L73-W77 VanDerWaalsContact O-N 3.13Å; L74-W77 HydrophobicContact CD1-CE3 3.8Å; L74-W77 HydrophobicContact CD1-CZ3 4.19Å; L74-W77 WeakPolarHBondContact O-CB 3.21Å; L74-W77 PolarHBondContact O-N 3.31Å; F75-W77 VanDerWaalsContact C-N 3.31Å; F75-W77 PolarHBondContact O-N 3.47Å; W77-L79 PolarHBondContact O-N 3.35Å; W77-K80 WeakPolarHBondContact O-CB 3.16Å; W77-K80 PolarHBondContact O-N 2.87Å; W77-K80 VanDerWaalsContact O-N 3.13Å; W77-E81 HydrophobicContact CD2-CG 4.11Å; W77-E81 VanDerWaalsContact CE2-CG 3.43Å; W77-E81 HydrophobicContact CG-CG 4.43Å; W77-E81 HydrophobicContact CH2-CG 4.42Å; W77-E81 HydrophobicContact CZ2-CG 3.64Å; W77-E81 VanDerWaalsContact NE1-CG 3.32Å; W77-E81 PolarHBondContact NE1-OE1 3.23Å; W77-E81 VanDerWaalsContact NE1-OE1 3.09Å; W77-E81 WeakPolarHBondContact O-CG 3.48Å; W77-E81 PolarHBondContact O-N 3.37Å |
| 78 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 176.9 | 170 | 0 | 0 | 0 | 0 | 111.8 | L3 Y6 V27 L74 F75 K80 E81 M82 | L3-V78 HydrophobicContact CD1-CG1 4.06Å; L3-V78 HydrophobicContact CD1-CG2 4.49Å; Y6-V78 HydrophobicContact CD1-CB 4.48Å; Y6-V78 HydrophobicContact CD1-CG1 3.94Å; Y6-V78 HydrophobicContact CD1-CG2 3.63Å; Y6-V78 HydrophobicContact CD2-CG2 3.75Å; Y6-V78 HydrophobicContact CE1-CB 4.17Å; Y6-V78 HydrophobicContact CE1-CG1 3.47Å; Y6-V78 VanDerWaalsContact CE1-CG1 3.47Å; Y6-V78 HydrophobicContact CE1-CG2 3.59Å; Y6-V78 HydrophobicContact CE2-CG2 3.7Å; Y6-V78 HydrophobicContact CG-CG2 3.71Å; V27-V78 HydrophobicContact CG1-CG1 4.29Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 2.83Å; F75-V78 PolarHBondContact O-N 3.09Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 3.49Å; V78-E81 PolarHBondContact O-N 2.84Å; V78-M82 HydrophobicContact CG1-CG 4.37Å; V78-M82 HydrophobicContact CG1-SD 3.65Å; V78-M82 WeakPolarHBondContact O-CB 3.26Å; V78-M82 VanDerWaalsContact O-CG 3.3Å; V78-M82 WeakPolarHBondContact O-CG 3.33Å; V78-M82 PolarHBondContact O-N 3.47Å |
| 79 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 177.8 | -71.8 | 171.1 | 0 | 0 | 0 | 111.3 | L24 F75 W77 M82 G83 Y84 P86 N110 V112 | L24-L79 HydrophobicContact CD1-CD2 3.35Å; F75-L79 HydrophobicContact CD1-CD1 3.7Å; F75-L79 HydrophobicContact CD1-CD2 4.44Å; F75-L79 HydrophobicContact CD1-CG 3.93Å; F75-L79 HydrophobicContact CE1-CD1 3.83Å; F75-L79 HydrophobicContact CE1-CD2 3.87Å; F75-L79 HydrophobicContact CE1-CG 3.88Å; F75-L79 HydrophobicContact CZ-CD2 4.31Å; F75-L79 WeakPolarHBondContact O-CB 3.27Å; F75-L79 VanDerWaalsContact O-CG 3.22Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 3.17Å; W77-L79 PolarHBondContact O-N 3.35Å; L79-M82 PolarHBondContact O-N 2.82Å; L79-G83 PolarHBondContact O-N 2.93Å; L79-Y84 HydrophobicContact CB-CD2 4.47Å; L79-Y84 HydrophobicContact CD2-CD2 3.96Å; L79-Y84 HydrophobicContact CD2-CE2 4.37Å; L79-Y84 HydrophobicContact CD2-CG 4.33Å; L79-Y84 WeakPolarHBondContact O-CB 3.35Å; L79-Y84 WeakPolarHBondContact O-CD2 3.06Å; L79-Y84 PolarHBondContact O-N 3.46Å; L79-P86 HydrophobicContact CB-CB 3.97Å; L79-P86 HydrophobicContact CB-CG 3.87Å; L79-P86 HydrophobicContact CD1-CB 3.94Å; L79-N110 HydrophobicContact CD1-CB 4.12Å; L79-V112 HydrophobicContact CD1-CG1 3.91Å; L79-V112 HydrophobicContact CD2-CG1 4.35Å |
| 80 | K | 97.9 | Very high | 98.3 | Very high | 142 Ų | 142 | 28.6 Ų | 28.6 | 62% | 0.617 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.8 | -174.4 | -179.8 | 177.5 | -177.9 | 0 | 112.1 | A76 W77 V78 M82 G83 P86 | A76-K80 PolarHBondContact O-N 3.1Å; A76-K80 VanDerWaalsContact O-N 3.12Å; W77-K80 WeakPolarHBondContact O-CB 3.16Å; W77-K80 PolarHBondContact O-N 2.87Å; W77-K80 VanDerWaalsContact O-N 3.13Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 3.49Å; K80-M82 VanDerWaalsContact C-N 3.25Å; K80-M82 PolarHBondContact O-N 3.43Å; K80-G83 PolarHBondContact O-N 2.88Å; K80-P86 HydrophobicContact CB-CG 4.19Å |
| 81 | E | 97.8 | Very high | 98.3 | Very high | 104 Ų | 104 | 28.4 Ų | 28.4 | 49% | 0.486 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.4 | -29.5 | 178.1 | -64.6 | -59.6 | 141.2 | 0 | 0 | 112.7 | L3 W77 V78 G83 | L3-E81 HydrophobicContact CD1-CB 4.26Å; L3-E81 HydrophobicContact CD2-CB 4.05Å; W77-E81 HydrophobicContact CD2-CG 4.11Å; W77-E81 VanDerWaalsContact CE2-CG 3.43Å; W77-E81 HydrophobicContact CG-CG 4.43Å; W77-E81 HydrophobicContact CH2-CG 4.42Å; W77-E81 HydrophobicContact CZ2-CG 3.64Å; W77-E81 VanDerWaalsContact NE1-CG 3.32Å; W77-E81 PolarHBondContact NE1-OE1 3.23Å; W77-E81 VanDerWaalsContact NE1-OE1 3.09Å; W77-E81 WeakPolarHBondContact O-CG 3.48Å; W77-E81 PolarHBondContact O-N 3.37Å; V78-E81 PolarHBondContact O-N 2.84Å; E81-G83 PolarHBondContact O-N 2.9Å |
| 82 | M | 97.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -1 | 172.7 | -68.5 | 172.9 | 71.1 | 0 | 0 | 113.7 | L3 F7 F16 T23 V27 V78 L79 K80 Y84 | L3-M82 HydrophobicContact CD1-CG 4.39Å; L3-M82 HydrophobicContact CD2-CG 4.08Å; F7-M82 HydrophobicContact CE1-SD 4.12Å; F7-M82 HydrophobicContact CZ-CE 4.4Å; F7-M82 HydrophobicContact CZ-CG 4Å; F7-M82 HydrophobicContact CZ-SD 4Å; F16-M82 HydrophobicContact CB-CE 4.09Å; T23-M82 HydrophobicContact CG2-CE 3.44Å; T23-M82 VanDerWaalsContact CG2-CE 3.44Å; V27-M82 HydrophobicContact CB-CE 4.24Å; V27-M82 HydrophobicContact CG1-CE 4.47Å; V27-M82 HydrophobicContact CG1-SD 4.09Å; V27-M82 HydrophobicContact CG2-CE 3.64Å; V27-M82 HydrophobicContact CG2-SD 4.23Å; V78-M82 HydrophobicContact CG1-CG 4.37Å; V78-M82 HydrophobicContact CG1-SD 3.65Å; V78-M82 WeakPolarHBondContact O-CB 3.26Å; V78-M82 VanDerWaalsContact O-CG 3.3Å; V78-M82 WeakPolarHBondContact O-CG 3.33Å; V78-M82 PolarHBondContact O-N 3.47Å; L79-M82 PolarHBondContact O-N 2.82Å; K80-M82 VanDerWaalsContact C-N 3.25Å; K80-M82 PolarHBondContact O-N 3.43Å; M82-Y84 HydrophobicContact CB-CD2 3.79Å; M82-Y84 HydrophobicContact CB-CE2 3.78Å; M82-Y84 HydrophobicContact CE-CE2 3.9Å; M82-Y84 HydrophobicContact SD-CE2 4.38Å |
| 83 | G | 97.7 | Very high | 98.2 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 54% | 0.536 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L79 K80 E81 | L79-G83 PolarHBondContact O-N 2.93Å; K80-G83 PolarHBondContact O-N 2.88Å; E81-G83 PolarHBondContact O-N 2.9Å |
| 84 | Y | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | trans | -75.4 | 166 | 166.8 | -57.9 | -90.5 | 0 | 0 | 0 | 110.5 | P19 D20 L24 L79 M82 P86 I114 | P19-Y84 VanDerWaalsContact CA-CE1 3.48Å; P19-Y84 HydrophobicContact CB-CD1 3.61Å; P19-Y84 HydrophobicContact CB-CD2 4.04Å; P19-Y84 HydrophobicContact CB-CE1 3.61Å; P19-Y84 HydrophobicContact CB-CE2 4.05Å; P19-Y84 HydrophobicContact CB-CG 3.82Å; P19-Y84 VanDerWaalsContact O-CE1 3.25Å; P19-Y84 WeakPolarHBondContact O-CE1 3.33Å; D20-Y84 PolarHBondContact N-OH 3.22Å; D20-Y84 PolarHBondContact O-OH 3.07Å; L24-Y84 HydrophobicContact CB-CE1 4.25Å; L24-Y84 PolarHBondContact N-OH 2.76Å; L79-Y84 HydrophobicContact CB-CD2 4.47Å; L79-Y84 HydrophobicContact CD2-CD2 3.96Å; L79-Y84 HydrophobicContact CD2-CE2 4.37Å; L79-Y84 HydrophobicContact CD2-CG 4.33Å; L79-Y84 WeakPolarHBondContact O-CB 3.35Å; L79-Y84 WeakPolarHBondContact O-CD2 3.06Å; L79-Y84 PolarHBondContact O-N 3.46Å; M82-Y84 HydrophobicContact CB-CD2 3.79Å; M82-Y84 HydrophobicContact CB-CE2 3.78Å; M82-Y84 HydrophobicContact CE-CE2 3.9Å; M82-Y84 HydrophobicContact SD-CE2 4.38Å; Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 WeakPolarHBondContact O-CD 3.27Å; Y84-I114 HydrophobicContact CD1-CD1 4.14Å; Y84-I114 HydrophobicContact CD1-CG1 4.06Å; Y84-I114 HydrophobicContact CE1-CD1 3.66Å; Y84-I114 HydrophobicContact CE1-CG1 3.98Å | ||
| 85 | N | 96.9 | Very high | 97.8 | Very high | 134 Ų | 134 | 39.6 Ų | 39.6 | 72% | 0.717 | 21% | 0.208 | S | C | * | . | trans | -111.7 | 78 | 171.4 | -172 | 24.6 | 0 | 0 | 0 | 110.5 | ||||
| 86 | P | 98.2 | Very high | 97.2 | Very high | 26 Ų | 26 | 43 Ų | 43 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | trans | -72.4 | 141.1 | -177.2 | 31 | -35.8 | 0 | 0 | 0 | 112 | A76 L79 K80 Y84 K111 V112 | A76-P86 WeakPolarHBondContact O-CG 3.25Å; L79-P86 HydrophobicContact CB-CB 3.97Å; L79-P86 HydrophobicContact CB-CG 3.87Å; L79-P86 HydrophobicContact CD1-CB 3.94Å; K80-P86 HydrophobicContact CB-CG 4.19Å; Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 WeakPolarHBondContact O-CD 3.27Å; P86-K111 CarbonylContact C-O 3.53Å; P86-K111 WeakPolarHBondContact CA-O 3.25Å; P86-V112 HydrophobicContact CB-CG1 4.14Å | ||
| 87 | V | 98.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.2 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | L89 N110 K111 P196 | V87-L89 HydrophobicContact CG1-CD2 3.95Å; V87-N110 CarbonylContact O-C 3.51Å; V87-K111 HydrophobicContact CB-CB 4.45Å; V87-K111 PolarHBondContact N-O 2.84Å; V87-K111 PolarHBondContact O-N 2.73Å; V87-P196 HydrophobicContact CG1-CB 3.83Å; V87-P196 HydrophobicContact CG1-CG 3.91Å |
| 88 | T | 98.6 | Very high | 96 | Very high | 24 Ų | 24 | 51 Ų | 51 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 135.1 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | L108 N110 R197 F202 | T88-L108 HydrophobicContact CG2-CD1 3.92Å; T88-L108 HydrophobicContact CG2-CD2 3.72Å; T88-L108 HydrophobicContact CG2-CG 3.63Å; T88-N110 PolarHBondContact OG1-OD1 3.43Å; T88-R197 WeakPolarHBondContact CB-O 3.28Å; T88-R197 PolarHBondContact O-N 3.1Å; T88-F202 HydrophobicContact CG2-CE2 3.98Å; T88-F202 HydrophobicContact CG2-CZ 4.4Å |
| 89 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151 | 179.7 | -54.6 | 178 | 0 | 0 | 0 | 110.5 | V87 I109 K111 I120 F192 L194 V195 | V87-L89 HydrophobicContact CG1-CD2 3.95Å; L89-I109 HydrophobicContact CB-CD1 4.42Å; L89-I109 HydrophobicContact CB-CG1 3.86Å; L89-I109 HydrophobicContact CD1-CD1 4.48Å; L89-I109 PolarHBondContact N-O 3.25Å; L89-I109 PolarHBondContact O-N 2.81Å; L89-I109 VanDerWaalsContact O-N 3.14Å; L89-K111 HydrophobicContact CD1-CB 3.88Å; L89-K111 HydrophobicContact CG-CB 4.36Å; L89-I120 HydrophobicContact CD1-CD1 4.13Å; L89-F192 HydrophobicContact CD1-CD2 3.95Å; L89-F192 HydrophobicContact CD1-CE2 4.18Å; L89-L194 HydrophobicContact CD1-CD2 4.19Å; L89-V195 WeakPolarHBondContact CD2-O 3.43Å |
| 90 | G | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F192 | G90-F192 WeakPolarHBondContact O-CB 3.45Å |
| 91 | S | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.6 | -176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | D105 S106 H107 I109 G191 F192 | S91-D105 CarbonylContact O-C 3.57Å; S91-D105 WeakPolarHBondContact O-CA 3.32Å; S91-S106 PolarHBondContact O-N 2.88Å; S91-H107 WeakPolarHBondContact CB-O 3.32Å; S91-H107 PolarHBondContact N-O 3.37Å; S91-H107 PolarHBondContact O-N 3.4Å; S91-I109 VanDerWaalsContact OG-CD1 3.27Å; S91-I109 WeakPolarHBondContact OG-CD1 3.46Å; S91-I109 WeakPolarHBondContact OG-CG1 3.43Å; S91-G191 CarbonylContact C-O 3.49Å; S91-G191 VanDerWaalsContact CA-O 3.28Å; S91-G191 WeakPolarHBondContact CA-O 3.43Å; S91-F192 WeakPolarHBondContact OG-CB 3.28Å |
| 92 | R | 98.2 | Very high | 95.2 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.8 | 175.7 | -55.3 | 179.9 | -176.9 | 174 | -1.9 | 108.5 | F101 G102 T104 D105 Y190 G191 | R92-F101 HydrophobicContact CB-CB 4.06Å; R92-F101 HydrophobicContact CB-CD1 4.32Å; R92-F101 WeakPolarHBondContact O-CD1 3.5Å; R92-G102 WeakPolarHBondContact CD-O 3.49Å; R92-T104 WeakPolarHBondContact CG-O 3.32Å; R92-D105 WeakPolarHBondContact CG-OD1 3.41Å; R92-D105 IonicContact NE-OD1 2.85Å; R92-D105 PolarHBondContact NE-OD1 3.45Å; R92-Y190 CarbonylContact O-C 3.52Å; R92-Y190 WeakPolarHBondContact O-CA 3.36Å; R92-Y190 VanDerWaalsContact O-CB 3.29Å; R92-Y190 WeakPolarHBondContact O-CB 3.35Å; R92-G191 PolarHBondContact N-O 3.11Å; R92-G191 PolarHBondContact O-N 3.13Å |
| 93 | V | 97.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.9 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | G102 H107 F125 | V93-G102 PolarHBondContact O-N 3.45Å; V93-H107 HydrophobicContact CG2-CB 3.86Å; V93-F125 HydrophobicContact CG1-CE2 4.28Å; V93-F125 HydrophobicContact CG1-CZ 4.28Å; V93-F125 HydrophobicContact CG2-CE2 4.28Å |
| 94 | Y | 96.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.6 | 176.3 | -163.5 | -99 | 0 | 0 | 0 | 110.7 | N96 N99 F101 K188 I189 | Y94-N96 WeakPolarHBondContact CD1-OD1 3.28Å; Y94-N99 PolarHBondContact OH-O 3.39Å; Y94-N99 PolarHBondContact OH-OD1 2.95Å; Y94-F101 AromaticContact CD2-CD1 3.61Å; Y94-F101 HydrophobicContact CD2-CD1 3.61Å; Y94-F101 HydrophobicContact CD2-CD2 4.15Å; Y94-F101 AromaticContact CD2-CE1 3.53Å; Y94-F101 HydrophobicContact CD2-CE1 3.53Å; Y94-F101 HydrophobicContact CD2-CE2 4.11Å; Y94-F101 AromaticContact CD2-CG 3.91Å; Y94-F101 HydrophobicContact CD2-CG 3.91Å; Y94-F101 AromaticContact CD2-CZ 3.81Å; Y94-F101 HydrophobicContact CD2-CZ 3.81Å; Y94-F101 HydrophobicContact CE2-CD2 4.36Å; Y94-F101 HydrophobicContact CE2-CE1 4.42Å; Y94-F101 HydrophobicContact CE2-CE2 4.25Å; Y94-F101 HydrophobicContact CE2-CZ 4.28Å; Y94-F101 HydrophobicContact CG-CD1 4.38Å; Y94-F101 HydrophobicContact CG-CE1 4.28Å; Y94-K188 HydrophobicContact CD1-CB 3.6Å; Y94-K188 HydrophobicContact CD1-CD 4.39Å; Y94-K188 HydrophobicContact CD2-CB 4.03Å; Y94-K188 HydrophobicContact CD2-CD 4.03Å; Y94-K188 HydrophobicContact CE1-CB 4Å; Y94-K188 HydrophobicContact CE1-CD 4.04Å; Y94-K188 HydrophobicContact CE2-CB 4.4Å; Y94-K188 HydrophobicContact CE2-CD 3.65Å; Y94-K188 HydrophobicContact CG-CB 3.58Å; Y94-K188 HydrophobicContact CG-CD 4.36Å; Y94-I189 PolarHBondContact N-O 3.21Å |
| 95 | N | 92.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 102.8 | 172.3 | -172.9 | -35.3 | 0 | 0 | 0 | 109.2 | T97 I98 N99 Q100 | N95-T97 PolarHBondContact O-N 3.08Å; N95-T97 WeakPolarHBondContact OD1-CA 3.33Å; N95-T97 VanDerWaalsContact OD1-CB 3.28Å; N95-T97 WeakPolarHBondContact OD1-CB 3.37Å; N95-T97 PolarHBondContact OD1-N 2.72Å; N95-I98 HydrophobicContact CB-CD1 4.29Å; N95-I98 HydrophobicContact CB-CG1 3.77Å; N95-I98 VanDerWaalsContact CG-CG1 3.41Å; N95-I98 PolarHBondContact O-N 3Å; N95-I98 PolarHBondContact OD1-N 3.23Å; N95-N99 WeakPolarHBondContact O-CA 3.4Å; N95-N99 PolarHBondContact O-N 2.87Å; N95-Q100 PolarHBondContact N-O 2.89Å; N95-Q100 PolarHBondContact O-N 3.33Å |
| 96 | N | 85.1 | Confident | 94.7 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.1 | -179.6 | -70.8 | -73.9 | 0 | 0 | 0 | 113.3 | Y94 K188 | Y94-N96 WeakPolarHBondContact CD1-OD1 3.28Å; N96-K188 PolarHBondContact ND2-O 2.89Å; N96-K188 VanDerWaalsContact ND2-O 3.12Å |
| 97 | T | 83.3 | Confident | 94.7 | Very high | 116 Ų | 116 | 53.2 Ų | 53.2 | 71% | 0.712 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -37.8 | 178.4 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | N95 | N95-T97 PolarHBondContact O-N 3.08Å; N95-T97 WeakPolarHBondContact OD1-CA 3.33Å; N95-T97 VanDerWaalsContact OD1-CB 3.28Å; N95-T97 WeakPolarHBondContact OD1-CB 3.37Å; N95-T97 PolarHBondContact OD1-N 2.72Å |
| 98 | I | 88.4 | Confident | 94.7 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 6.9 | -179.9 | 54.7 | 165.5 | 0 | 0 | 0 | 112.7 | N95 Q100 | N95-I98 HydrophobicContact CB-CD1 4.29Å; N95-I98 HydrophobicContact CB-CG1 3.77Å; N95-I98 VanDerWaalsContact CG-CG1 3.41Å; N95-I98 PolarHBondContact O-N 3Å; N95-I98 PolarHBondContact OD1-N 3.23Å; I98-Q100 HydrophobicContact CD1-CG 3.57Å; I98-Q100 VanDerWaalsContact CD1-NE2 3.28Å; I98-Q100 HydrophobicContact CG1-CG 3.8Å; I98-Q100 PolarHBondContact O-N 3.46Å |
| 99 | N | 91 | Very high | 94.7 | Very high | 118 Ų | 118 | 50.3 Ų | 50.3 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 44.3 | 173.7 | -161.5 | 49.7 | 0 | 0 | 0 | 114.3 | Y94 N95 | Y94-N99 PolarHBondContact OH-O 3.39Å; Y94-N99 PolarHBondContact OH-OD1 2.95Å; N95-N99 WeakPolarHBondContact O-CA 3.4Å; N95-N99 PolarHBondContact O-N 2.87Å |
| 100 | Q | 95.2 | Very high | 94.7 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.9 | 179.9 | 72 | -174.3 | 37.5 | 0 | 0 | 112.3 | N95 I98 | N95-Q100 PolarHBondContact N-O 2.89Å; N95-Q100 PolarHBondContact O-N 3.33Å; I98-Q100 HydrophobicContact CD1-CG 3.57Å; I98-Q100 VanDerWaalsContact CD1-NE2 3.28Å; I98-Q100 HydrophobicContact CG1-CG 3.8Å; I98-Q100 PolarHBondContact O-N 3.46Å |
| 101 | F | 96.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 52 Ų | 52 | 23% | 0.228 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 149.1 | 166.9 | -68.1 | -71.4 | 0 | 0 | 0 | 111.1 | R92 Y94 L158 T160 | R92-F101 HydrophobicContact CB-CB 4.06Å; R92-F101 HydrophobicContact CB-CD1 4.32Å; R92-F101 WeakPolarHBondContact O-CD1 3.5Å; Y94-F101 AromaticContact CD2-CD1 3.61Å; Y94-F101 HydrophobicContact CD2-CD1 3.61Å; Y94-F101 HydrophobicContact CD2-CD2 4.15Å; Y94-F101 AromaticContact CD2-CE1 3.53Å; Y94-F101 HydrophobicContact CD2-CE1 3.53Å; Y94-F101 HydrophobicContact CD2-CE2 4.11Å; Y94-F101 AromaticContact CD2-CG 3.91Å; Y94-F101 HydrophobicContact CD2-CG 3.91Å; Y94-F101 AromaticContact CD2-CZ 3.81Å; Y94-F101 HydrophobicContact CD2-CZ 3.81Å; Y94-F101 HydrophobicContact CE2-CD2 4.36Å; Y94-F101 HydrophobicContact CE2-CE1 4.42Å; Y94-F101 HydrophobicContact CE2-CE2 4.25Å; Y94-F101 HydrophobicContact CE2-CZ 4.28Å; Y94-F101 HydrophobicContact CG-CD1 4.38Å; Y94-F101 HydrophobicContact CG-CE1 4.28Å; F101-L158 HydrophobicContact CE2-CD2 3.96Å; F101-T160 HydrophobicContact CE1-CG2 4.5Å; F101-T160 HydrophobicContact CZ-CG2 3.94Å |
| 102 | G | 93.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | -57.5 | 155.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R92 V93 T104 | R92-G102 WeakPolarHBondContact CD-O 3.49Å; V93-G102 PolarHBondContact O-N 3.45Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 2.95Å | ||
| 103 | P | 92.1 | Very high | 94.7 | Very high | 120 Ų | 120 | 50.5 Ų | 50.5 | 78% | 0.779 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -74.2 | -20.8 | -174.9 | 30.1 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 104 | T | 94.7 | Very high | 94.8 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -128.3 | 160.9 | -175.1 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | R92 G102 S106 | R92-T104 WeakPolarHBondContact CG-O 3.32Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 2.95Å; T104-S106 VanDerWaalsContact C-N 3.31Å; T104-S106 PolarHBondContact O-N 3.32Å |
| 105 | D | 96.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -72.3 | 88.7 | 173 | -61.1 | -11.1 | 0 | 0 | 0 | 108.6 | S91 R92 R197 H201 F202 | S91-D105 CarbonylContact O-C 3.57Å; S91-D105 WeakPolarHBondContact O-CA 3.32Å; R92-D105 WeakPolarHBondContact CG-OD1 3.41Å; R92-D105 IonicContact NE-OD1 2.85Å; R92-D105 PolarHBondContact NE-OD1 3.45Å; D105-R197 IonicContact OD2-NE 3.58Å; D105-R197 IonicContact OD2-NH2 3.64Å; D105-H201 IonicContact OD2-CD2 3.95Å; D105-H201 IonicContact OD2-CE1 3.72Å; D105-H201 IonicContact OD2-NE2 2.91Å; D105-H201 PolarHBondContact OD2-NE2 3.19Å; D105-F202 HydrophobicContact CB-CE1 4.49Å | ||
| 106 | S | 96.2 | Very high | 95 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | trans | -95.7 | -1.6 | -176.1 | 70 | 0 | 0 | 0 | 0 | 113.8 | S91 T104 | S91-S106 PolarHBondContact O-N 2.88Å; T104-S106 VanDerWaalsContact C-N 3.31Å; T104-S106 PolarHBondContact O-N 3.32Å | ||
| 107 | H | 98.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.6 | -178.9 | -172.5 | 60.3 | 0 | 0 | 0 | 110.2 | C68 S91 V93 I109 D122 F125 Y190 | C68-H107 WeakPolarHBondContact CB-CE1 3.44Å; C68-H107 WeakPolarHBondContact CB-ND1 3Å; C68-H107 PolarHBondContact SG-ND1 2.96Å; C68-H107 VanDerWaalsContact SG-ND1 3.41Å; S91-H107 WeakPolarHBondContact CB-O 3.32Å; S91-H107 PolarHBondContact N-O 3.37Å; S91-H107 PolarHBondContact O-N 3.4Å; V93-H107 HydrophobicContact CG2-CB 3.86Å; H107-I109 VanDerWaalsContact CD2-CG2 3.43Å; H107-I109 WeakPolarHBondContact CD2-CG2 3.45Å; H107-I109 WeakPolarHBondContact NE2-CG2 3.21Å; H107-D122 IonicContact CD2-OD2 3.58Å; H107-D122 IonicContact CE1-OD1 3.06Å; H107-D122 IonicContact CE1-OD2 3.66Å; H107-D122 IonicContact NE2-OD1 3.16Å; H107-D122 IonicContact NE2-OD2 3.25Å; H107-D122 PolarHBondContact NE2-OD2 3.48Å; H107-F125 AromaticContact CE1-CD2 3.83Å; H107-F125 AromaticContact NE2-CD2 3.72Å; H107-Y190 AromaticContact CD2-CD1 3.55Å; H107-Y190 AromaticContact CD2-CE1 3.69Å; H107-Y190 AromaticContact NE2-CD1 3.92Å; H107-Y190 AromaticContact NE2-CE1 3.66Å |
| 108 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.4 | 179.7 | -171.1 | 159.8 | 0 | 0 | 0 | 108.2 | M50 N72 T88 F202 | M50-L108 HydrophobicContact CE-CD1 4.38Å; N72-L108 HydrophobicContact CB-CD2 3.36Å; N72-L108 WeakPolarHBondContact CB-O 3.42Å; N72-L108 PolarHBondContact ND2-O 3.23Å; T88-L108 HydrophobicContact CG2-CD1 3.92Å; T88-L108 HydrophobicContact CG2-CD2 3.72Å; T88-L108 HydrophobicContact CG2-CG 3.63Å; L108-F202 HydrophobicContact CB-CD1 4.43Å; L108-F202 HydrophobicContact CB-CE1 4Å; L108-F202 HydrophobicContact CB-CE2 4.43Å; L108-F202 HydrophobicContact CB-CZ 3.99Å; L108-F202 HydrophobicContact CD1-CD2 3.78Å; L108-F202 HydrophobicContact CD1-CE2 3.66Å; L108-F202 HydrophobicContact CD1-CG 4.29Å; L108-F202 HydrophobicContact CD1-CZ 4.08Å; L108-F202 HydrophobicContact CG-CD2 4.44Å; L108-F202 HydrophobicContact CG-CE1 4.34Å; L108-F202 HydrophobicContact CG-CE2 3.9Å; L108-F202 HydrophobicContact CG-CZ 3.83Å |
| 109 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 167.5 | 173.2 | 66.5 | 177 | 0 | 0 | 0 | 110.2 | L89 S91 H107 I120 D122 Y190 F192 | L89-I109 HydrophobicContact CB-CD1 4.42Å; L89-I109 HydrophobicContact CB-CG1 3.86Å; L89-I109 HydrophobicContact CD1-CD1 4.48Å; L89-I109 PolarHBondContact N-O 3.25Å; L89-I109 PolarHBondContact O-N 2.81Å; L89-I109 VanDerWaalsContact O-N 3.14Å; S91-I109 VanDerWaalsContact OG-CD1 3.27Å; S91-I109 WeakPolarHBondContact OG-CD1 3.46Å; S91-I109 WeakPolarHBondContact OG-CG1 3.43Å; H107-I109 VanDerWaalsContact CD2-CG2 3.43Å; H107-I109 WeakPolarHBondContact CD2-CG2 3.45Å; H107-I109 WeakPolarHBondContact NE2-CG2 3.21Å; I109-I120 HydrophobicContact CD1-CD1 4.43Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å; I109-D122 HydrophobicContact CB-CB 4.37Å; I109-D122 HydrophobicContact CG2-CB 3.92Å; I109-Y190 HydrophobicContact CD1-CE2 3.94Å; I109-Y190 HydrophobicContact CG2-CE1 4.41Å; I109-Y190 HydrophobicContact CG2-CE2 4.31Å; I109-F192 HydrophobicContact CD1-CB 4.26Å; I109-F192 HydrophobicContact CD1-CD1 3.88Å; I109-F192 HydrophobicContact CD1-CD2 4.06Å; I109-F192 HydrophobicContact CD1-CE1 4.19Å; I109-F192 HydrophobicContact CD1-CE2 4.36Å; I109-F192 HydrophobicContact CD1-CG 3.81Å; I109-F192 HydrophobicContact CD1-CZ 4.42Å |
| 110 | N | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.6 | 176.9 | -63 | -63 | 0 | 0 | 0 | 111.5 | N72 A76 L79 V87 T88 I120 A121 | N72-N110 PolarHBondContact O-ND2 3.38Å; A76-N110 WeakPolarHBondContact CB-OD1 3.45Å; L79-N110 HydrophobicContact CD1-CB 4.12Å; V87-N110 CarbonylContact O-C 3.51Å; T88-N110 PolarHBondContact OG1-OD1 3.43Å; N110-I120 CarbonylContact O-C 3.59Å; N110-I120 WeakPolarHBondContact O-CA 3.44Å; N110-A121 PolarHBondContact N-O 3.13Å; N110-A121 PolarHBondContact O-N 3.36Å |
| 111 | K | 98.8 | Very high | 97.4 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.4 | 168.8 | -176.6 | -169.9 | 73.6 | 175.7 | 0 | 109.4 | P86 V87 L89 Y119 I120 L137 L194 | P86-K111 CarbonylContact C-O 3.53Å; P86-K111 WeakPolarHBondContact CA-O 3.25Å; V87-K111 HydrophobicContact CB-CB 4.45Å; V87-K111 PolarHBondContact N-O 2.84Å; V87-K111 PolarHBondContact O-N 2.73Å; L89-K111 HydrophobicContact CD1-CB 3.88Å; L89-K111 HydrophobicContact CG-CB 4.36Å; K111-Y119 CarbonylContact C-O 3.56Å; K111-Y119 VanDerWaalsContact CA-O 3.24Å; K111-Y119 WeakPolarHBondContact CA-O 3.21Å; K111-I120 HydrophobicContact CB-CD1 4.13Å; K111-I120 HydrophobicContact CG-CD1 4.26Å; K111-L137 HydrophobicContact CD-CD2 4.22Å; K111-L194 HydrophobicContact CD-CD2 4.39Å |
| 112 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154.3 | 171.6 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | L24 L79 P86 I114 A118 Y119 | L24-V112 HydrophobicContact CD2-CG2 3.65Å; L79-V112 HydrophobicContact CD1-CG1 3.91Å; L79-V112 HydrophobicContact CD2-CG1 4.35Å; P86-V112 HydrophobicContact CB-CG1 4.14Å; V112-I114 HydrophobicContact CG2-CD1 4.25Å; V112-I114 HydrophobicContact CG2-CG1 4.41Å; V112-A118 CarbonylContact O-C 3.55Å; V112-A118 WeakPolarHBondContact O-CA 3.35Å; V112-Y119 PolarHBondContact N-O 3.23Å; V112-Y119 PolarHBondContact O-N 2.87Å |
| 113 | V | 98.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 33.3 Ų | 33.3 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.4 | 171.7 | -179 | 0 | 0 | 0 | 0 | 108.2 | T117 A118 | V113-T117 CarbonylContact C-O 3.55Å; V113-T117 VanDerWaalsContact CA-O 3.29Å; V113-T117 WeakPolarHBondContact CA-O 3.41Å; V113-A118 HydrophobicContact CG2-CB 4.26Å |
| 114 | I | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121 | -179.2 | -56.5 | 169.9 | 0 | 0 | 0 | 106.8 | L21 L24 Y84 V112 G116 T117 Y119 | L21-I114 HydrophobicContact CB-CD1 4.26Å; L21-I114 HydrophobicContact CD1-CD1 4.25Å; L24-I114 HydrophobicContact CD2-CD1 3.81Å; Y84-I114 HydrophobicContact CD1-CD1 4.14Å; Y84-I114 HydrophobicContact CD1-CG1 4.06Å; Y84-I114 HydrophobicContact CE1-CD1 3.66Å; Y84-I114 HydrophobicContact CE1-CG1 3.98Å; V112-I114 HydrophobicContact CG2-CD1 4.25Å; V112-I114 HydrophobicContact CG2-CG1 4.41Å; I114-G116 PolarHBondContact O-N 3.05Å; I114-G116 VanDerWaalsContact O-N 3.1Å; I114-T117 PolarHBondContact N-O 2.8Å; I114-T117 PolarHBondContact O-N 3.3Å; I114-Y119 HydrophobicContact CB-CD2 4.46Å; I114-Y119 HydrophobicContact CB-CE2 4.17Å; I114-Y119 HydrophobicContact CD1-CD2 4.24Å; I114-Y119 HydrophobicContact CD1-CE2 4.44Å; I114-Y119 HydrophobicContact CG1-CD2 4.44Å |
| 115 | D | 96.1 | Very high | 98.2 | Very high | 160 Ų | 160 | 26 Ų | 26 | 86% | 0.856 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 40.4 | -179.7 | -58 | -33.4 | 0 | 0 | 0 | 113.8 | T117 | D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 2.86Å |
| 116 | G | 97.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 25.3 Ų | 25.3 | 74% | 0.742 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I114 | I114-G116 PolarHBondContact O-N 3.05Å; I114-G116 VanDerWaalsContact O-N 3.1Å |
| 117 | T | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 24.3 Ų | 24.3 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.8 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | V113 I114 D115 Y119 E136 | V113-T117 CarbonylContact C-O 3.55Å; V113-T117 VanDerWaalsContact CA-O 3.29Å; V113-T117 WeakPolarHBondContact CA-O 3.41Å; I114-T117 PolarHBondContact N-O 2.8Å; I114-T117 PolarHBondContact O-N 3.3Å; D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 2.86Å; T117-Y119 HydrophobicContact CG2-CD2 4.39Å; T117-Y119 HydrophobicContact CG2-CE1 4.24Å; T117-Y119 HydrophobicContact CG2-CE2 3.59Å; T117-Y119 VanDerWaalsContact CG2-CZ 3.47Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.41Å; T117-Y119 WeakPolarHBondContact O-CD2 3.41Å; T117-Y119 WeakPolarHBondContact O-CE2 3.5Å; T117-E136 HydrophobicContact CG2-CG 3.58Å |
| 118 | A | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 24.7 Ų | 24.7 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V112 V113 L137 | V112-A118 CarbonylContact O-C 3.55Å; V112-A118 WeakPolarHBondContact O-CA 3.35Å; V113-A118 HydrophobicContact CG2-CB 4.26Å; A118-L137 HydrophobicContact CB-CB 4Å; A118-L137 HydrophobicContact CB-CD2 4.06Å; A118-L137 WeakPolarHBondContact O-CB 3.43Å; A118-L137 PolarHBondContact O-N 2.86Å |
| 119 | Y | 98.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 25 Ų | 25 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.7 | 177.8 | -59.3 | -92.3 | 0 | 0 | 0 | 111.3 | L21 K111 V112 I114 T117 P134 L135 E136 | L21-Y119 HydrophobicContact CD1-CD1 4.04Å; L21-Y119 HydrophobicContact CD1-CD2 4.43Å; L21-Y119 HydrophobicContact CD1-CE1 3.86Å; L21-Y119 HydrophobicContact CD1-CE2 4.25Å; L21-Y119 HydrophobicContact CD1-CG 4.34Å; L21-Y119 HydrophobicContact CD2-CE1 3.91Å; K111-Y119 CarbonylContact C-O 3.56Å; K111-Y119 VanDerWaalsContact CA-O 3.24Å; K111-Y119 WeakPolarHBondContact CA-O 3.21Å; V112-Y119 PolarHBondContact N-O 3.23Å; V112-Y119 PolarHBondContact O-N 2.87Å; I114-Y119 HydrophobicContact CB-CD2 4.46Å; I114-Y119 HydrophobicContact CB-CE2 4.17Å; I114-Y119 HydrophobicContact CD1-CD2 4.24Å; I114-Y119 HydrophobicContact CD1-CE2 4.44Å; I114-Y119 HydrophobicContact CG1-CD2 4.44Å; T117-Y119 HydrophobicContact CG2-CD2 4.39Å; T117-Y119 HydrophobicContact CG2-CE1 4.24Å; T117-Y119 HydrophobicContact CG2-CE2 3.59Å; T117-Y119 VanDerWaalsContact CG2-CZ 3.47Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.41Å; T117-Y119 WeakPolarHBondContact O-CD2 3.41Å; T117-Y119 WeakPolarHBondContact O-CE2 3.5Å; Y119-P134 HydrophobicContact CD1-CB 4.43Å; Y119-L135 CarbonylContact C-O 3.53Å; Y119-L135 WeakPolarHBondContact CA-O 3.44Å; Y119-E136 HydrophobicContact CD1-CB 4.02Å; Y119-E136 HydrophobicContact CD1-CG 4.31Å; Y119-E136 HydrophobicContact CE1-CB 3.83Å; Y119-E136 HydrophobicContact CE1-CG 3.86Å |
| 120 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.9 | 167.2 | -60 | -59.1 | 0 | 0 | 0 | 109 | L89 I109 N110 K111 P134 L135 L137 L152 F192 | L89-I120 HydrophobicContact CD1-CD1 4.13Å; I109-I120 HydrophobicContact CD1-CD1 4.43Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å; N110-I120 CarbonylContact O-C 3.59Å; N110-I120 WeakPolarHBondContact O-CA 3.44Å; K111-I120 HydrophobicContact CB-CD1 4.13Å; K111-I120 HydrophobicContact CG-CD1 4.26Å; I120-P134 CarbonylContact O-C 3.56Å; I120-P134 WeakPolarHBondContact O-CA 3.42Å; I120-P134 WeakPolarHBondContact O-CB 3.48Å; I120-L135 PolarHBondContact N-O 3.29Å; I120-L135 PolarHBondContact O-N 3.1Å; I120-L137 HydrophobicContact CD1-CD1 4.15Å; I120-L137 HydrophobicContact CG1-CD1 3.96Å; I120-L152 HydrophobicContact CG1-CD1 4.29Å; I120-F192 HydrophobicContact CD1-CE2 3.7Å; I120-F192 HydrophobicContact CD1-CZ 3.79Å; I120-F192 HydrophobicContact CG1-CE2 4.27Å; I120-F192 HydrophobicContact CG1-CZ 3.83Å |
| 121 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F75 N110 | F75-A121 HydrophobicContact CE1-CB 4.06Å; N110-A121 PolarHBondContact N-O 3.13Å; N110-A121 PolarHBondContact O-N 3.36Å |
| 122 | D | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | trans | -138.1 | 115.2 | 177 | 178.1 | 4.3 | 0 | 0 | 0 | 108.4 | H28 N72 H107 I109 S124 Q130 I131 Y190 | H28-D122 PolarHBondContact CE1-O 3.23Å; H28-D122 VanDerWaalsContact CE1-O 3.23Å; H28-D122 PolarHBondContact NE2-O 3.38Å; N72-D122 PolarHBondContact ND2-OD1 3.45Å; H107-D122 IonicContact CD2-OD2 3.58Å; H107-D122 IonicContact CE1-OD1 3.06Å; H107-D122 IonicContact CE1-OD2 3.66Å; H107-D122 IonicContact NE2-OD1 3.16Å; H107-D122 IonicContact NE2-OD2 3.25Å; H107-D122 PolarHBondContact NE2-OD2 3.48Å; I109-D122 HydrophobicContact CB-CB 4.37Å; I109-D122 HydrophobicContact CG2-CB 3.92Å; D122-S124 PolarHBondContact OD1-N 3.15Å; D122-Q130 PolarHBondContact O-NE2 2.9Å; D122-I131 HydrophobicContact CB-CD1 4.11Å; D122-I131 HydrophobicContact CB-CG1 4.48Å; D122-I131 VanDerWaalsContact O-CG1 3.32Å; D122-I131 WeakPolarHBondContact O-CG1 3.21Å; D122-Y190 VanDerWaalsContact OD2-CE1 3.27Å; D122-Y190 WeakPolarHBondContact OD2-CE1 3.23Å; D122-Y190 PolarHBondContact OD2-OH 2.92Å | ||
| 123 | V | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -103.7 | 7.3 | -177 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | H28 H31 V32 N71 N72 F75 | H28-V123 VanDerWaalsContact CD2-CG1 3.42Å; H28-V123 WeakPolarHBondContact CD2-CG1 3.15Å; H28-V123 WeakPolarHBondContact NE2-CG1 3.29Å; H31-V123 HydrophobicContact CB-CG1 4.19Å; H31-V123 VanDerWaalsContact CD2-CB 3.48Å; H31-V123 WeakPolarHBondContact CD2-CB 3.44Å; H31-V123 WeakPolarHBondContact NE2-CG2 3.47Å; V32-V123 HydrophobicContact CG1-CB 3.94Å; V32-V123 HydrophobicContact CG1-CG1 4.14Å; N71-V123 HydrophobicContact CB-CG2 4.33Å; N72-V123 WeakPolarHBondContact OD1-CG2 3.07Å; N72-V123 PolarHBondContact OD1-N 2.84Å; F75-V123 HydrophobicContact CB-CG2 3.68Å; F75-V123 HydrophobicContact CD1-CG1 3.92Å; F75-V123 HydrophobicContact CD1-CG2 4.31Å; F75-V123 HydrophobicContact CD2-CG1 3.79Å; F75-V123 HydrophobicContact CD2-CG2 4.06Å; F75-V123 HydrophobicContact CE1-CG1 3.89Å; F75-V123 HydrophobicContact CE2-CG1 3.74Å; F75-V123 HydrophobicContact CG-CG1 3.87Å; F75-V123 HydrophobicContact CG-CG2 3.77Å; F75-V123 HydrophobicContact CZ-CG1 3.8Å |
| 124 | S | 96.9 | Very high | 98 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -156 | 48.6 | -167.3 | -158.7 | 0 | 0 | 0 | 0 | 115.1 | F37 C68 N71 D122 | F37-S124 WeakPolarHBondContact CD2-O 3.23Å; C68-S124 WeakPolarHBondContact CB-O 3.43Å; N71-S124 VanDerWaalsContact CB-OG 3.27Å; N71-S124 WeakPolarHBondContact CB-OG 3.47Å; N71-S124 PolarHBondContact ND2-OG 3.33Å; D122-S124 PolarHBondContact OD1-N 3.15Å | ||
| 125 | F | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 22.4 Ų | 22.4 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -89.6 | -35.6 | 159.4 | -165.5 | -81.6 | 0 | 0 | 0 | 111.2 | V93 H107 I189 Y190 | V93-F125 HydrophobicContact CG1-CE2 4.28Å; V93-F125 HydrophobicContact CG1-CZ 4.28Å; V93-F125 HydrophobicContact CG2-CE2 4.28Å; H107-F125 AromaticContact CE1-CD2 3.83Å; H107-F125 AromaticContact NE2-CD2 3.72Å; F125-I189 HydrophobicContact CD1-CG2 4.02Å; F125-I189 HydrophobicContact CD2-CG2 3.73Å; F125-I189 HydrophobicContact CE1-CG2 3.69Å; F125-I189 HydrophobicContact CE2-CG2 3.4Å; F125-I189 HydrophobicContact CG-CG2 4.02Å; F125-I189 HydrophobicContact CZ-CG2 3.36Å; F125-Y190 AromaticContact CD2-CD1 3.64Å; F125-Y190 HydrophobicContact CD2-CD1 3.64Å; F125-Y190 AromaticContact CD2-CE1 3.94Å; F125-Y190 HydrophobicContact CD2-CE1 3.94Å; F125-Y190 AromaticContact CE2-CD1 3.77Å; F125-Y190 HydrophobicContact CE2-CD1 3.77Å; F125-Y190 HydrophobicContact CE2-CE1 4.49Å |
| 126 | G | 96.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | 85.1 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S129 Q130 | G126-S129 PolarHBondContact O-N 2.76Å; G126-Q130 PolarHBondContact O-N 2.83Å; G126-Q130 VanDerWaalsContact O-N 3.11Å | ||
| 127 | V | 97.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | 47.4 | -146.6 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | S129 Q130 S224 Q226 F231 A233 Y288 I290 | V127-S129 PolarHBondContact O-N 3.01Å; V127-Q130 PolarHBondContact O-N 3.08Å; V127-S224 PolarHBondContact N-OG 3.47Å; V127-Q226 PolarHBondContact O-NE2 3.37Å; V127-F231 HydrophobicContact CB-CD2 4.31Å; V127-F231 HydrophobicContact CB-CE2 3.84Å; V127-F231 HydrophobicContact CB-CZ 4.18Å; V127-F231 HydrophobicContact CG1-CE2 4.15Å; V127-A233 HydrophobicContact CG1-CB 4.41Å; V127-Y288 HydrophobicContact CG1-CE1 4.32Å; V127-Y288 WeakPolarHBondContact CG1-OH 3.44Å; V127-I290 HydrophobicContact CB-CB 4.35Å; V127-I290 VanDerWaalsContact CB-OXT 3.31Å; V127-I290 WeakPolarHBondContact CB-OXT 3.27Å; V127-I290 HydrophobicContact CG1-CB 4.28Å; V127-I290 HydrophobicContact CG1-CG2 4.09Å |
| 128 | S | 96.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 9% | 0.091 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -66.1 | -8.9 | 178.2 | 62.5 | 0 | 0 | 0 | 0 | 115.4 | K163 K187 I290 | S128-K163 WeakPolarHBondContact O-CD 3.48Å; S128-K163 WeakPolarHBondContact O-CE 3.36Å; S128-K163 PolarHBondContact O-NZ 2.85Å; S128-K187 PolarHBondContact OG-NZ 3.31Å; S128-I290 WeakPolarHBondContact CA-OXT 3.29Å; S128-I290 WeakPolarHBondContact CB-OXT 3.29Å; S128-I290 PolarHBondContact N-OXT 2.98Å; S128-I290 PolarHBondContact OG-O 2.93Å; S128-I290 PolarHBondContact OG-OXT 2.72Å |
| 129 | S | 97.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -100 | -2.7 | -175.8 | -58 | 0 | 0 | 0 | 0 | 112.8 | G126 V127 I131 K187 | G126-S129 PolarHBondContact O-N 2.76Å; V127-S129 PolarHBondContact O-N 3.01Å; S129-I131 PolarHBondContact O-N 3.45Å; S129-K187 WeakPolarHBondContact OG-CE 3.43Å; S129-K187 PolarHBondContact OG-NZ 3.45Å |
| 130 | Q | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | trans | -71.6 | 122.7 | 177.5 | -174.1 | 52.2 | 59.1 | 0 | 0 | 111 | V32 D122 G126 V127 P147 Q226 | V32-Q130 HydrophobicContact CB-CG 4.14Å; V32-Q130 HydrophobicContact CG1-CG 4.02Å; D122-Q130 PolarHBondContact O-NE2 2.9Å; G126-Q130 PolarHBondContact O-N 2.83Å; G126-Q130 VanDerWaalsContact O-N 3.11Å; V127-Q130 PolarHBondContact O-N 3.08Å; Q130-P147 WeakPolarHBondContact O-CG 3.17Å; Q130-Q226 HydrophobicContact CB-CG 4.27Å; Q130-Q226 HydrophobicContact CG-CG 3.81Å | ||
| 131 | I | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | -70.5 | 144.4 | 166.5 | 62.3 | 174.9 | 0 | 0 | 0 | 109.3 | H28 D122 S129 L135 F150 | H28-I131 PolarHBondContact CE1-O 2.78Å; H28-I131 VanDerWaalsContact CE1-O 3.29Å; D122-I131 HydrophobicContact CB-CD1 4.11Å; D122-I131 HydrophobicContact CB-CG1 4.48Å; D122-I131 VanDerWaalsContact O-CG1 3.32Å; D122-I131 WeakPolarHBondContact O-CG1 3.21Å; S129-I131 PolarHBondContact O-N 3.45Å; I131-L135 HydrophobicContact CD1-CG 4.2Å; I131-L135 HydrophobicContact CG2-CD1 3.72Å; I131-L135 HydrophobicContact CG2-CD2 4.4Å; I131-L135 HydrophobicContact CG2-CG 4.02Å; I131-F150 HydrophobicContact CB-CZ 4.41Å; I131-F150 HydrophobicContact CG2-CD1 3.72Å; I131-F150 HydrophobicContact CG2-CD2 4.08Å; I131-F150 HydrophobicContact CG2-CE1 3.54Å; I131-F150 HydrophobicContact CG2-CE2 3.93Å; I131-F150 HydrophobicContact CG2-CG 3.96Å; I131-F150 HydrophobicContact CG2-CZ 3.66Å | ||
| 132 | W | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -97.9 | -16.9 | 175.7 | -74.8 | 15.1 | 0 | 0 | 0 | 113 | H28 M33 S146 P147 T227 Y244 | H28-W132 PolarHBondContact ND1-O 2.92Å; M33-W132 HydrophobicContact CE-CD2 4.18Å; M33-W132 HydrophobicContact CE-CE3 3.88Å; M33-W132 HydrophobicContact CE-CH2 3.91Å; M33-W132 HydrophobicContact CE-CZ2 4.2Å; M33-W132 HydrophobicContact CE-CZ3 3.73Å; W132-S146 VanDerWaalsContact CZ3-CB 3.44Å; W132-S146 WeakPolarHBondContact CZ3-OG 3.41Å; W132-P147 HydrophobicContact CD2-CG 4.16Å; W132-P147 HydrophobicContact CG-CG 3.98Å; W132-T227 VanDerWaalsContact CH2-O 3.22Å; W132-T227 WeakPolarHBondContact CH2-O 3.48Å; W132-T227 VanDerWaalsContact CZ2-O 3.26Å; W132-T227 WeakPolarHBondContact CZ2-O 3.18Å; W132-Y244 HydrophobicContact CH2-CD2 4.3Å; W132-Y244 HydrophobicContact CH2-CE2 4.38Å; W132-Y244 HydrophobicContact CZ2-CD2 4.01Å; W132-Y244 AromaticContact CZ2-CE2 3.64Å; W132-Y244 HydrophobicContact CZ2-CE2 3.64Å |
| 133 | H | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 26 Ų | 26 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -139.2 | 148.4 | 177.6 | -58.6 | -60.8 | 0 | 0 | 0 | 109.3 | N25 Q145 | N25-H133 PolarHBondContact O-ND1 3.49Å; H133-Q145 PolarHBondContact O-NE2 3.04Å |
| 134 | P | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 141.4 | 170.5 | -20.8 | 22.4 | 0 | 0 | 0 | 112.7 | L24 N25 Y119 I120 | L24-P134 HydrophobicContact CD1-CG 4.36Å; L24-P134 HydrophobicContact CD2-CB 4.24Å; L24-P134 HydrophobicContact CD2-CG 3.54Å; L24-P134 HydrophobicContact CG-CG 3.52Å; N25-P134 WeakPolarHBondContact OD1-CD 3.12Å; Y119-P134 HydrophobicContact CD1-CB 4.43Å; I120-P134 CarbonylContact O-C 3.56Å; I120-P134 WeakPolarHBondContact O-CA 3.42Å; I120-P134 WeakPolarHBondContact O-CB 3.48Å |
| 135 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129 | 177.5 | -64.5 | 177.6 | 0 | 0 | 0 | 109.8 | Y119 I120 I131 L137 Q143 F150 L152 L161 | Y119-L135 CarbonylContact C-O 3.53Å; Y119-L135 WeakPolarHBondContact CA-O 3.44Å; I120-L135 PolarHBondContact N-O 3.29Å; I120-L135 PolarHBondContact O-N 3.1Å; I131-L135 HydrophobicContact CD1-CG 4.2Å; I131-L135 HydrophobicContact CG2-CD1 3.72Å; I131-L135 HydrophobicContact CG2-CD2 4.4Å; I131-L135 HydrophobicContact CG2-CG 4.02Å; L135-L137 PolarHBondContact O-N 2.87Å; L135-Q143 HydrophobicContact CD2-CB 3.82Å; L135-Q143 HydrophobicContact CD2-CG 4.45Å; L135-F150 HydrophobicContact CD1-CB 3.86Å; L135-F150 HydrophobicContact CD1-CG 4.29Å; L135-F150 HydrophobicContact CD2-CB 3.79Å; L135-F150 HydrophobicContact CD2-CG 4.33Å; L135-L152 HydrophobicContact CB-CD1 4.08Å; L135-L161 HydrophobicContact CD1-CD1 3.37Å; L135-L161 HydrophobicContact CD1-CD2 4.36Å |
| 136 | E | 98.8 | Very high | 98.1 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132.6 | 171.3 | -160.2 | -176.6 | 142.8 | 0 | 0 | 109.7 | T117 Y119 V138 K141 Q143 L152 | T117-E136 HydrophobicContact CG2-CG 3.58Å; Y119-E136 HydrophobicContact CD1-CB 4.02Å; Y119-E136 HydrophobicContact CD1-CG 4.31Å; Y119-E136 HydrophobicContact CE1-CB 3.83Å; Y119-E136 HydrophobicContact CE1-CG 3.86Å; E136-V138 HydrophobicContact CG-CG2 3.93Å; E136-V138 PolarHBondContact O-N 2.68Å; E136-V138 VanDerWaalsContact OE1-CG2 3.32Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.34Å; E136-K141 IonicContact OE1-NZ 3.34Å; E136-K141 IonicContact OE2-NZ 3.39Å; E136-K141 PolarHBondContact OE2-NZ 2.88Å; E136-Q143 PolarHBondContact O-NE2 2.9Å; E136-L152 WeakPolarHBondContact O-CD1 3.4Å |
| 137 | L | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | trans | -80.1 | 66.1 | -175.9 | -171 | 64.5 | 0 | 0 | 0 | 110.7 | K111 A118 I120 L135 L152 W159 F192 L194 | K111-L137 HydrophobicContact CD-CD2 4.22Å; A118-L137 HydrophobicContact CB-CB 4Å; A118-L137 HydrophobicContact CB-CD2 4.06Å; A118-L137 WeakPolarHBondContact O-CB 3.43Å; A118-L137 PolarHBondContact O-N 2.86Å; I120-L137 HydrophobicContact CD1-CD1 4.15Å; I120-L137 HydrophobicContact CG1-CD1 3.96Å; L135-L137 PolarHBondContact O-N 2.87Å; L137-L152 HydrophobicContact CD1-CD1 4.02Å; L137-W159 HydrophobicContact CD1-CD2 3.72Å; L137-W159 HydrophobicContact CD1-CE3 3.68Å; L137-W159 HydrophobicContact CD1-CG 4.34Å; L137-W159 HydrophobicContact CD1-CH2 4.04Å; L137-W159 HydrophobicContact CD1-CZ2 4.12Å; L137-W159 HydrophobicContact CD1-CZ3 3.83Å; L137-W159 HydrophobicContact CG-CH2 3.99Å; L137-W159 HydrophobicContact CG-CZ2 4.04Å; L137-W159 HydrophobicContact CG-CZ3 4.24Å; L137-F192 HydrophobicContact CD1-CE2 4.17Å; L137-F192 HydrophobicContact CD1-CZ 4Å; L137-L194 HydrophobicContact CD2-CD1 4.12Å; L137-L194 HydrophobicContact CD2-CD2 3.74Å | ||
| 138 | V | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 35% | 0.345 | 19% | 0.191 | S | C | . | . | trans | -123 | 120.7 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | E136 G140 K141 | E136-V138 HydrophobicContact CG-CG2 3.93Å; E136-V138 PolarHBondContact O-N 2.68Å; E136-V138 VanDerWaalsContact OE1-CG2 3.32Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.34Å; V138-G140 PolarHBondContact O-N 2.71Å; V138-K141 HydrophobicContact CB-CB 3.98Å; V138-K141 HydrophobicContact CB-CD 4.11Å; V138-K141 HydrophobicContact CG1-CB 3.87Å; V138-K141 HydrophobicContact CG1-CD 4.33Å; V138-K141 PolarHBondContact O-N 2.82Å | ||
| 139 | S | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 34 Ų | 34 | 37% | 0.371 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -64.3 | 133.3 | -179.8 | -172.1 | 0 | 0 | 0 | 0 | 111 | K141 L152 Q154 | S139-K141 PolarHBondContact O-N 2.91Å; S139-L152 CarbonylContact C-O 3.59Å; S139-L152 VanDerWaalsContact CA-O 3.27Å; S139-L152 WeakPolarHBondContact CA-O 3.33Å; S139-Q154 PolarHBondContact OG-N 3.3Å |
| 140 | G | 98.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -5.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V138 D142 L152 | V138-G140 PolarHBondContact O-N 2.71Å; G140-D142 PolarHBondContact O-N 3.38Å; G140-L152 PolarHBondContact N-O 2.93Å |
| 141 | K | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | trans | -75.1 | 122.5 | -178.2 | -177.1 | 176.2 | -178.5 | 172.7 | 0 | 111.3 | E136 V138 S139 Q143 | E136-K141 IonicContact OE1-NZ 3.34Å; E136-K141 IonicContact OE2-NZ 3.39Å; E136-K141 PolarHBondContact OE2-NZ 2.88Å; V138-K141 HydrophobicContact CB-CB 3.98Å; V138-K141 HydrophobicContact CB-CD 4.11Å; V138-K141 HydrophobicContact CG1-CB 3.87Å; V138-K141 HydrophobicContact CG1-CD 4.33Å; V138-K141 PolarHBondContact O-N 2.82Å; S139-K141 PolarHBondContact O-N 2.91Å; K141-Q143 HydrophobicContact CD-CG 4.38Å; K141-Q143 HydrophobicContact CG-CG 4.09Å | ||
| 142 | D | 98.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.9 | 167.8 | -78.1 | -21 | 0 | 0 | 0 | 110.7 | G140 V149 R151 | G140-D142 PolarHBondContact O-N 3.38Å; D142-V149 HydrophobicContact CB-CG1 3.83Å; D142-R151 VanDerWaalsContact CG-NH2 3.3Å; D142-R151 IonicContact OD1-CZ 3.78Å; D142-R151 IonicContact OD1-NE 3.28Å; D142-R151 PolarHBondContact OD1-NE 3.44Å; D142-R151 IonicContact OD1-NH2 3.99Å; D142-R151 PolarHBondContact OD1-NH2 2.94Å; D142-R151 IonicContact OD2-NH2 3.78Å; D142-R151 PolarHBondContact OD2-NH2 2.92Å |
| 143 | Q | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 84.7 | -179.2 | -61.1 | -173.4 | 71.2 | 0 | 0 | 109.1 | L135 E136 K141 Q145 F150 | L135-Q143 HydrophobicContact CD2-CB 3.82Å; L135-Q143 HydrophobicContact CD2-CG 4.45Å; E136-Q143 PolarHBondContact O-NE2 2.9Å; K141-Q143 HydrophobicContact CD-CG 4.38Å; K141-Q143 HydrophobicContact CG-CG 4.09Å; Q143-Q145 PolarHBondContact O-N 3.16Å; Q143-F150 PolarHBondContact N-O 3.47Å; Q143-F150 PolarHBondContact O-N 3.1Å; Q143-F150 VanDerWaalsContact O-N 3.1Å |
| 144 | P | 97.9 | Very high | 98.2 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 66% | 0.662 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132 | -179.9 | -19.3 | 32.5 | 0 | 0 | 0 | 111.7 | V149 | P144-V149 HydrophobicContact CB-CG2 4.4Å |
| 145 | Q | 97.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 47 Ų | 47 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 170.8 | 171 | -59.4 | -171.4 | 7.7 | 0 | 0 | 109.2 | H133 Q143 P147 G148 F150 | H133-Q145 PolarHBondContact O-NE2 3.04Å; Q143-Q145 PolarHBondContact O-N 3.16Å; Q145-P147 VanDerWaalsContact C-N 3.33Å; Q145-G148 PolarHBondContact N-O 3.44Å; Q145-G148 PolarHBondContact O-N 3.06Å; Q145-F150 HydrophobicContact CB-CD2 4.26Å; Q145-F150 HydrophobicContact CB-CE2 4.18Å; Q145-F150 HydrophobicContact CG-CD2 4.18Å; Q145-F150 HydrophobicContact CG-CE2 4.47Å |
| 146 | S | 95.5 | Very high | 98 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -43.1 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | W132 G148 R166 | W132-S146 VanDerWaalsContact CZ3-CB 3.44Å; W132-S146 WeakPolarHBondContact CZ3-OG 3.41Å; S146-G148 PolarHBondContact O-N 3.41Å; S146-R166 PolarHBondContact O-NH1 2.98Å; S146-R166 VanDerWaalsContact O-NH1 3.16Å; S146-R166 PolarHBondContact O-NH2 3.19Å |
| 147 | P | 96.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.5 | 177.3 | -24.5 | 35 | 0 | 0 | 0 | 115.1 | Q130 W132 Q145 F150 K163 R166 Y244 | Q130-P147 WeakPolarHBondContact O-CG 3.17Å; W132-P147 HydrophobicContact CD2-CG 4.16Å; W132-P147 HydrophobicContact CG-CG 3.98Å; Q145-P147 VanDerWaalsContact C-N 3.33Å; P147-F150 HydrophobicContact CB-CE2 4.12Å; P147-F150 HydrophobicContact CB-CZ 4.15Å; P147-F150 HydrophobicContact CG-CE2 4.42Å; P147-K163 VanDerWaalsContact C-CE 3.43Å; P147-K163 WeakPolarHBondContact O-CE 3.44Å; P147-K163 PolarHBondContact O-NZ 3.34Å; P147-R166 PolarHBondContact O-NH2 3.46Å; P147-Y244 HydrophobicContact CB-CE1 4.47Å; P147-Y244 HydrophobicContact CB-CE2 3.9Å; P147-Y244 HydrophobicContact CG-CE2 3.72Å |
| 148 | G | 96.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | -166.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q145 S146 | Q145-G148 PolarHBondContact N-O 3.44Å; Q145-G148 PolarHBondContact O-N 3.06Å; S146-G148 PolarHBondContact O-N 3.41Å |
| 149 | V | 98 | Very high | 97.9 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.4 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | D142 P144 K163 T164 | D142-V149 HydrophobicContact CB-CG1 3.83Å; P144-V149 HydrophobicContact CB-CG2 4.4Å; V149-K163 WeakPolarHBondContact O-CA 3.28Å; V149-T164 PolarHBondContact N-O 2.73Å; V149-T164 PolarHBondContact O-N 3.16Å |
| 150 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 147 | 173.6 | -65.9 | -86.9 | 0 | 0 | 0 | 110.4 | I131 L135 Q143 Q145 P147 L161 E162 K163 I189 | I131-F150 HydrophobicContact CB-CZ 4.41Å; I131-F150 HydrophobicContact CG2-CD1 3.72Å; I131-F150 HydrophobicContact CG2-CD2 4.08Å; I131-F150 HydrophobicContact CG2-CE1 3.54Å; I131-F150 HydrophobicContact CG2-CE2 3.93Å; I131-F150 HydrophobicContact CG2-CG 3.96Å; I131-F150 HydrophobicContact CG2-CZ 3.66Å; L135-F150 HydrophobicContact CD1-CB 3.86Å; L135-F150 HydrophobicContact CD1-CG 4.29Å; L135-F150 HydrophobicContact CD2-CB 3.79Å; L135-F150 HydrophobicContact CD2-CG 4.33Å; Q143-F150 PolarHBondContact N-O 3.47Å; Q143-F150 PolarHBondContact O-N 3.1Å; Q143-F150 VanDerWaalsContact O-N 3.1Å; Q145-F150 HydrophobicContact CB-CD2 4.26Å; Q145-F150 HydrophobicContact CB-CE2 4.18Å; Q145-F150 HydrophobicContact CG-CD2 4.18Å; Q145-F150 HydrophobicContact CG-CE2 4.47Å; P147-F150 HydrophobicContact CB-CE2 4.12Å; P147-F150 HydrophobicContact CB-CZ 4.15Å; P147-F150 HydrophobicContact CG-CE2 4.42Å; F150-L161 HydrophobicContact CB-CD1 4.25Å; F150-L161 HydrophobicContact CD1-CD1 4.08Å; F150-E162 WeakPolarHBondContact CA-O 3.39Å; F150-K163 HydrophobicContact CD1-CB 3.92Å; F150-K163 HydrophobicContact CD1-CD 4.43Å; F150-K163 HydrophobicContact CD1-CG 4.16Å; F150-K163 HydrophobicContact CE1-CB 3.95Å; F150-K163 HydrophobicContact CE1-CD 3.71Å; F150-K163 HydrophobicContact CE1-CG 3.95Å; F150-K163 HydrophobicContact CZ-CD 3.82Å; F150-K163 HydrophobicContact CZ-CG 4.3Å; F150-I189 HydrophobicContact CD1-CD1 4.17Å; F150-I189 HydrophobicContact CE1-CD1 3.83Å |
| 151 | R | 98.7 | Very high | 98 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 136.4 | 175.1 | -167.6 | -176.6 | -65.5 | 166.5 | -10.6 | 109.5 | D142 I153 E162 | D142-R151 VanDerWaalsContact CG-NH2 3.3Å; D142-R151 IonicContact OD1-CZ 3.78Å; D142-R151 IonicContact OD1-NE 3.28Å; D142-R151 PolarHBondContact OD1-NE 3.44Å; D142-R151 IonicContact OD1-NH2 3.99Å; D142-R151 PolarHBondContact OD1-NH2 2.94Å; D142-R151 IonicContact OD2-NH2 3.78Å; D142-R151 PolarHBondContact OD2-NH2 2.92Å; R151-I153 VanDerWaalsContact CD-CD1 3.45Å; R151-I153 HydrophobicContact CG-CD1 3.81Å; R151-I153 HydrophobicContact CG-CG1 4.4Å; R151-E162 HydrophobicContact CB-CG 3.85Å; R151-E162 WeakPolarHBondContact CD-OE1 3.38Å; R151-E162 PolarHBondContact N-O 2.9Å; R151-E162 IonicContact NH1-OE1 2.96Å; R151-E162 PolarHBondContact O-N 3.21Å |
| 152 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.3 | 170.2 | -75.5 | 166.2 | 0 | 0 | 0 | 107.8 | I120 L135 E136 L137 S139 G140 W159 T160 L161 F192 | I120-L152 HydrophobicContact CG1-CD1 4.29Å; L135-L152 HydrophobicContact CB-CD1 4.08Å; E136-L152 WeakPolarHBondContact O-CD1 3.4Å; L137-L152 HydrophobicContact CD1-CD1 4.02Å; S139-L152 CarbonylContact C-O 3.59Å; S139-L152 VanDerWaalsContact CA-O 3.27Å; S139-L152 WeakPolarHBondContact CA-O 3.33Å; G140-L152 PolarHBondContact N-O 2.93Å; L152-W159 HydrophobicContact CB-CE3 3.95Å; L152-W159 HydrophobicContact CB-CZ3 4.05Å; L152-T160 CarbonylContact C-O 3.45Å; L152-T160 WeakPolarHBondContact CA-O 3.32Å; L152-L161 HydrophobicContact CD2-CB 4.04Å; L152-L161 HydrophobicContact CD2-CD1 4Å; L152-L161 HydrophobicContact CG-CD1 4.27Å; L152-F192 HydrophobicContact CD2-CE1 3.77Å; L152-F192 HydrophobicContact CD2-CZ 3.91Å |
| 153 | I | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.4 | 177.9 | -59.4 | -61.6 | 0 | 0 | 0 | 108.5 | R151 W159 T160 E162 | R151-I153 VanDerWaalsContact CD-CD1 3.45Å; R151-I153 HydrophobicContact CG-CD1 3.81Å; R151-I153 HydrophobicContact CG-CG1 4.4Å; I153-W159 CarbonylContact O-C 3.53Å; I153-W159 WeakPolarHBondContact O-CA 3.42Å; I153-T160 PolarHBondContact N-O 3.09Å; I153-T160 PolarHBondContact O-N 3.31Å; I153-E162 HydrophobicContact CG1-CG 4.47Å |
| 154 | Q | 98.4 | Very high | 97.8 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.2 | 175.3 | -170 | -179.7 | 9.5 | 0 | 0 | 110.9 | S139 G156 L158 W159 | S139-Q154 PolarHBondContact OG-N 3.3Å; Q154-G156 VanDerWaalsContact CG-O 3.31Å; Q154-G156 WeakPolarHBondContact CG-O 3.41Å; Q154-G156 PolarHBondContact NE2-O 3.31Å; Q154-L158 WeakPolarHBondContact CA-O 3.13Å; Q154-W159 HydrophobicContact CB-CD2 3.98Å; Q154-W159 HydrophobicContact CB-CE3 3.97Å; Q154-W159 HydrophobicContact CB-CH2 4.04Å; Q154-W159 HydrophobicContact CB-CZ2 4.01Å; Q154-W159 HydrophobicContact CB-CZ3 4.01Å; Q154-W159 VanDerWaalsContact CD-CZ2 3.41Å; Q154-W159 HydrophobicContact CG-CD2 4.12Å; Q154-W159 HydrophobicContact CG-CH2 4.5Å; Q154-W159 HydrophobicContact CG-CZ2 3.97Å |
| 155 | D | 97.8 | Very high | 97.6 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 70% | 0.695 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 106.7 | 168.7 | -178 | 19.9 | 0 | 0 | 0 | 108.8 | D157 L158 | D155-D157 PolarHBondContact O-N 3.26Å; D155-L158 PolarHBondContact N-O 3.13Å; D155-L158 PolarHBondContact O-N 3.27Å |
| 156 | G | 97.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -123.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q154 | Q154-G156 VanDerWaalsContact CG-O 3.31Å; Q154-G156 WeakPolarHBondContact CG-O 3.41Å; Q154-G156 PolarHBondContact NE2-O 3.31Å |
| 157 | D | 97 | Very high | 97.4 | Very high | 138 Ų | 138 | 48.4 Ų | 48.4 | 74% | 0.738 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10 | 178.2 | -65.6 | -33.1 | 0 | 0 | 0 | 113.6 | D155 | D155-D157 PolarHBondContact O-N 3.26Š|
| 158 | L | 98.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.7 | -178.5 | -177.8 | 68.3 | 0 | 0 | 0 | 110.3 | F101 Q154 D155 | F101-L158 HydrophobicContact CE2-CD2 3.96Å; Q154-L158 WeakPolarHBondContact CA-O 3.13Å; D155-L158 PolarHBondContact N-O 3.13Å; D155-L158 PolarHBondContact O-N 3.27Å |
| 159 | W | 98.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133 | 166.6 | -71.5 | 81.8 | 0 | 0 | 0 | 109.5 | L137 L152 I153 Q154 G191 F192 | L137-W159 HydrophobicContact CD1-CD2 3.72Å; L137-W159 HydrophobicContact CD1-CE3 3.68Å; L137-W159 HydrophobicContact CD1-CG 4.34Å; L137-W159 HydrophobicContact CD1-CH2 4.04Å; L137-W159 HydrophobicContact CD1-CZ2 4.12Å; L137-W159 HydrophobicContact CD1-CZ3 3.83Å; L137-W159 HydrophobicContact CG-CH2 3.99Å; L137-W159 HydrophobicContact CG-CZ2 4.04Å; L137-W159 HydrophobicContact CG-CZ3 4.24Å; L152-W159 HydrophobicContact CB-CE3 3.95Å; L152-W159 HydrophobicContact CB-CZ3 4.05Å; I153-W159 CarbonylContact O-C 3.53Å; I153-W159 WeakPolarHBondContact O-CA 3.42Å; Q154-W159 HydrophobicContact CB-CD2 3.98Å; Q154-W159 HydrophobicContact CB-CE3 3.97Å; Q154-W159 HydrophobicContact CB-CH2 4.04Å; Q154-W159 HydrophobicContact CB-CZ2 4.01Å; Q154-W159 HydrophobicContact CB-CZ3 4.01Å; Q154-W159 VanDerWaalsContact CD-CZ2 3.41Å; Q154-W159 HydrophobicContact CG-CD2 4.12Å; Q154-W159 HydrophobicContact CG-CH2 4.5Å; Q154-W159 HydrophobicContact CG-CZ2 3.97Å; W159-G191 CarbonylContact O-C 3.55Å; W159-G191 WeakPolarHBondContact O-CA 3.43Å; W159-F192 HydrophobicContact CB-CD1 4.01Å; W159-F192 HydrophobicContact CB-CD2 4.02Å; W159-F192 HydrophobicContact CB-CE1 3.64Å; W159-F192 HydrophobicContact CB-CE2 3.64Å; W159-F192 HydrophobicContact CB-CG 4.19Å; W159-F192 HydrophobicContact CB-CZ 3.44Å; W159-F192 VanDerWaalsContact CB-CZ 3.44Å; W159-F192 AromaticContact CG-CE2 3.99Å; W159-F192 HydrophobicContact CG-CE2 3.99Å; W159-F192 HydrophobicContact CG-CZ 4.05Å; W159-F192 PolarHBondContact N-O 3.2Å; W159-F192 PolarHBondContact O-N 2.82Å |
| 160 | T | 98.8 | Very high | 97.3 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127 | 175 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | F101 L152 I153 K188 | F101-T160 HydrophobicContact CE1-CG2 4.5Å; F101-T160 HydrophobicContact CZ-CG2 3.94Å; L152-T160 CarbonylContact C-O 3.45Å; L152-T160 WeakPolarHBondContact CA-O 3.32Å; I153-T160 PolarHBondContact N-O 3.09Å; I153-T160 PolarHBondContact O-N 3.31Å; T160-K188 HydrophobicContact CG2-CB 4.32Å; T160-K188 HydrophobicContact CG2-CD 4.11Å; T160-K188 HydrophobicContact CG2-CG 3.97Å |
| 161 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.3 | 166.7 | 179.9 | 62.8 | 0 | 0 | 0 | 109.4 | L135 F150 L152 I189 Y190 | L135-L161 HydrophobicContact CD1-CD1 3.37Å; L135-L161 HydrophobicContact CD1-CD2 4.36Å; F150-L161 HydrophobicContact CB-CD1 4.25Å; F150-L161 HydrophobicContact CD1-CD1 4.08Å; L152-L161 HydrophobicContact CD2-CB 4.04Å; L152-L161 HydrophobicContact CD2-CD1 4Å; L152-L161 HydrophobicContact CG-CD1 4.27Å; L161-I189 HydrophobicContact CB-CB 4.44Å; L161-I189 HydrophobicContact CD2-CB 4.27Å; L161-I189 HydrophobicContact CD2-CD1 3.96Å; L161-I189 HydrophobicContact CD2-CG2 4.36Å; L161-I189 HydrophobicContact CG-CB 4.26Å; L161-I189 HydrophobicContact CG-CD1 4.04Å; L161-I189 PolarHBondContact O-N 3.27Å; L161-Y190 HydrophobicContact CB-CD2 4.14Å; L161-Y190 HydrophobicContact CB-CE2 3.88Å; L161-Y190 HydrophobicContact CD2-CE1 3.75Å; L161-Y190 HydrophobicContact CD2-CE2 4.02Å; L161-Y190 VanDerWaalsContact CD2-CZ 3.46Å; L161-Y190 WeakPolarHBondContact CD2-OH 3.41Å; L161-Y190 PolarHBondContact N-O 3.32Å |
| 162 | E | 98.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.2 | 169.3 | 65.6 | -177.3 | -168.6 | 0 | 0 | 111.1 | F150 R151 I153 T186 K187 | F150-E162 WeakPolarHBondContact CA-O 3.39Å; R151-E162 HydrophobicContact CB-CG 3.85Å; R151-E162 WeakPolarHBondContact CD-OE1 3.38Å; R151-E162 PolarHBondContact N-O 2.9Å; R151-E162 IonicContact NH1-OE1 2.96Å; R151-E162 PolarHBondContact O-N 3.21Å; I153-E162 HydrophobicContact CG1-CG 4.47Å; E162-T186 HydrophobicContact CB-CG2 4.49Å; E162-K187 CarbonylContact C-O 3.42Å; E162-K187 VanDerWaalsContact CA-O 3.28Å; E162-K187 WeakPolarHBondContact CA-O 3.01Å; E162-K187 WeakPolarHBondContact CB-O 3.33Å |
| 163 | K | 97.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.1 | 176.5 | 177.8 | -176 | -179.4 | -114.4 | 0 | 110 | S128 P147 V149 F150 T186 K187 I189 | S128-K163 WeakPolarHBondContact O-CD 3.48Å; S128-K163 WeakPolarHBondContact O-CE 3.36Å; S128-K163 PolarHBondContact O-NZ 2.85Å; P147-K163 VanDerWaalsContact C-CE 3.43Å; P147-K163 WeakPolarHBondContact O-CE 3.44Å; P147-K163 PolarHBondContact O-NZ 3.34Å; V149-K163 WeakPolarHBondContact O-CA 3.28Å; F150-K163 HydrophobicContact CD1-CB 3.92Å; F150-K163 HydrophobicContact CD1-CD 4.43Å; F150-K163 HydrophobicContact CD1-CG 4.16Å; F150-K163 HydrophobicContact CE1-CB 3.95Å; F150-K163 HydrophobicContact CE1-CD 3.71Å; F150-K163 HydrophobicContact CE1-CG 3.95Å; F150-K163 HydrophobicContact CZ-CD 3.82Å; F150-K163 HydrophobicContact CZ-CG 4.3Å; K163-T186 CarbonylContact O-C 3.54Å; K163-T186 VanDerWaalsContact O-CA 3.28Å; K163-T186 WeakPolarHBondContact O-CA 3.39Å; K163-K187 PolarHBondContact N-O 3.45Å; K163-K187 PolarHBondContact O-N 3.15Å; K163-I189 HydrophobicContact CB-CD1 3.7Å; K163-I189 HydrophobicContact CB-CG1 4.36Å |
| 164 | T | 97.2 | Very high | 96.8 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.1 | 164.5 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | V149 P185 T186 | V149-T164 PolarHBondContact N-O 2.73Å; V149-T164 PolarHBondContact O-N 3.16Å; T164-P185 CarbonylContact C-O 3.57Å; T164-P185 WeakPolarHBondContact CA-O 3.34Å; T164-T186 WeakPolarHBondContact OG1-CG2 3.2Å; T164-T186 PolarHBondContact OG1-OG1 2.74Å |
| 165 | G | 94.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | trans | -97 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | P185 | G165-P185 PolarHBondContact N-O 3.23Š| ||
| 166 | R | 94 | Very high | 96.5 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.185 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 166.6 | 170.3 | -71.6 | 167.1 | -64.4 | -87.1 | -13.1 | 109.8 | S146 P147 N246 D251 | S146-R166 PolarHBondContact O-NH1 2.98Å; S146-R166 VanDerWaalsContact O-NH1 3.16Å; S146-R166 PolarHBondContact O-NH2 3.19Å; P147-R166 PolarHBondContact O-NH2 3.46Å; R166-N246 VanDerWaalsContact CZ-OD1 3.29Å; R166-N246 PolarHBondContact NH1-OD1 3.2Å; R166-D251 IonicContact CZ-OD1 2.76Å; R166-D251 VanDerWaalsContact CZ-OD1 3.28Å; R166-D251 IonicContact CZ-OD2 2.71Å; R166-D251 IonicContact NE-OD1 2.95Å; R166-D251 PolarHBondContact NE-OD1 2.84Å; R166-D251 IonicContact NE-OD2 3.32Å; R166-D251 IonicContact NH2-OD1 3.08Å; R166-D251 PolarHBondContact NH2-OD1 2.88Å; R166-D251 IonicContact NH2-OD2 2.68Å; R166-D251 PolarHBondContact NH2-OD2 3.45Å |
| 167 | K | 94.1 | Very high | 96.3 | Very high | 166 Ų | 166 | 63 Ų | 63 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.6 | 178.1 | -69.9 | -178.5 | 179.2 | 177.1 | 0 | 109.9 | F250 D251 | K167-F250 CarbonylContact O-C 3.57Å; K167-F250 WeakPolarHBondContact O-CA 3.35Å; K167-F250 WeakPolarHBondContact O-CB 3.43Å; K167-D251 PolarHBondContact O-N 3.37Å |
| 168 | P | 95.4 | Very high | 96.2 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 26% | 0.26 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 135.1 | 174.5 | 31 | -35 | 0 | 0 | 0 | 111 | V181 K183 D251 L253 | P168-V181 HydrophobicContact CB-CG1 3.9Å; P168-V181 HydrophobicContact CG-CG1 3.86Å; P168-K183 HydrophobicContact CG-CG 4.14Å; P168-D251 CarbonylContact C-O 3.6Å; P168-D251 WeakPolarHBondContact CA-O 3.32Å; P168-L253 HydrophobicContact CB-CD1 3.64Å; P168-L253 HydrophobicContact CB-CD2 4.41Å |
| 169 | L | 95.9 | Very high | 96 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 103.9 | 166.5 | 176.5 | 64 | 0 | 0 | 0 | 108.3 | F250 D251 V252 L253 | L169-F250 HydrophobicContact CB-CB 4.4Å; L169-F250 HydrophobicContact CB-CD2 3.92Å; L169-F250 HydrophobicContact CB-CG 4.33Å; L169-F250 HydrophobicContact CD2-CD2 3.85Å; L169-F250 HydrophobicContact CD2-CE2 3.64Å; L169-F250 HydrophobicContact CD2-CZ 4.14Å; L169-D251 PolarHBondContact N-O 2.95Å; L169-V252 HydrophobicContact CD2-CG2 4.42Å; L169-V252 CarbonylContact O-C 3.43Å; L169-V252 WeakPolarHBondContact O-CA 3.42Å; L169-L253 PolarHBondContact O-N 2.8Å |
| 170 | V | 97.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.8 | 178 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | N172 F175 V181 L253 M255 | V170-N172 VanDerWaalsContact CG1-O 3.31Å; V170-N172 WeakPolarHBondContact CG1-O 3.32Å; V170-F175 HydrophobicContact CG1-CB 3.86Å; V170-V181 HydrophobicContact CG2-CG1 4.05Å; V170-V181 HydrophobicContact CG2-CG2 3.99Å; V170-L253 HydrophobicContact CG2-CB 4.39Å; V170-L253 HydrophobicContact CG2-CD2 4.43Å; V170-M255 HydrophobicContact CG1-SD 4.32Å |
| 171 | L | 96.9 | Very high | 95.6 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -72.6 | -37.9 | -177.6 | -64.2 | -175.3 | 0 | 0 | 0 | 112.5 | V252 L253 D254 | L171-V252 HydrophobicContact CD1-CG1 3.7Å; L171-V252 HydrophobicContact CD2-CG1 3.79Å; L171-V252 HydrophobicContact CG-CG1 3.63Å; L171-L253 PolarHBondContact N-O 3Å; L171-D254 HydrophobicContact CD1-CB 4.21Å |
| 172 | N | 96.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -93.9 | 109.5 | 179.8 | -174.7 | -12.5 | 0 | 0 | 0 | 110.2 | V170 A174 F175 M255 | V170-N172 VanDerWaalsContact CG1-O 3.31Å; V170-N172 WeakPolarHBondContact CG1-O 3.32Å; N172-A174 PolarHBondContact O-N 3.01Å; N172-A174 VanDerWaalsContact O-N 3.07Å; N172-A174 WeakPolarHBondContact OD1-CB 3.5Å; N172-A174 PolarHBondContact OD1-N 3.19Å; N172-A174 VanDerWaalsContact OD1-N 3.15Å; N172-F175 HydrophobicContact CB-CD2 3.94Å; N172-F175 WeakPolarHBondContact ND2-CE2 3.41Å; N172-F175 PolarHBondContact O-N 2.73Å; N172-M255 PolarHBondContact ND2-O 2.96Å; N172-M255 VanDerWaalsContact ND2-O 3.09Å |
| 173 | E | 94.6 | Very high | 94.8 | Very high | 174 Ų | 174 | 65.1 Ų | 65.1 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -57.2 | -26.7 | -177 | -66.1 | -172.6 | 170 | 0 | 0 | 113.6 | F175 A176 | E173-F175 PolarHBondContact O-N 3.34Å; E173-F175 VanDerWaalsContact O-N 3.12Å; E173-A176 VanDerWaalsContact O-CB 3.29Å; E173-A176 WeakPolarHBondContact O-CB 3.48Å; E173-A176 PolarHBondContact O-N 2.86Å |
| 174 | A | 96.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 72% | 0.719 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -58.5 | -25.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N172 | N172-A174 PolarHBondContact O-N 3.01Å; N172-A174 VanDerWaalsContact O-N 3.07Å; N172-A174 WeakPolarHBondContact OD1-CB 3.5Å; N172-A174 PolarHBondContact OD1-N 3.19Å; N172-A174 VanDerWaalsContact OD1-N 3.15Å |
| 175 | F | 96.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -102.1 | 4 | -180 | -64.9 | -88.3 | 0 | 0 | 0 | 113.8 | V170 N172 E173 N177 S178 T238 M255 | V170-F175 HydrophobicContact CG1-CB 3.86Å; N172-F175 HydrophobicContact CB-CD2 3.94Å; N172-F175 WeakPolarHBondContact ND2-CE2 3.41Å; N172-F175 PolarHBondContact O-N 2.73Å; E173-F175 PolarHBondContact O-N 3.34Å; E173-F175 VanDerWaalsContact O-N 3.12Å; F175-N177 PolarHBondContact O-N 3.16Å; F175-S178 VanDerWaalsContact O-CB 3.24Å; F175-S178 WeakPolarHBondContact O-CB 3.46Å; F175-S178 PolarHBondContact O-N 3.15Å; F175-T238 HydrophobicContact CD1-CG2 4.23Å; F175-T238 HydrophobicContact CE1-CG2 3.65Å; F175-T238 HydrophobicContact CZ-CG2 4.4Å; F175-M255 HydrophobicContact CB-CB 3.99Å; F175-M255 HydrophobicContact CB-CE 4.34Å; F175-M255 HydrophobicContact CB-CG 4.44Å; F175-M255 HydrophobicContact CB-SD 3.75Å; F175-M255 HydrophobicContact CD1-CB 4.01Å; F175-M255 HydrophobicContact CD1-CE 3.88Å; F175-M255 HydrophobicContact CD1-SD 4.35Å; F175-M255 HydrophobicContact CD2-CB 3.74Å; F175-M255 HydrophobicContact CE1-CB 4.46Å; F175-M255 HydrophobicContact CE2-CB 4.23Å; F175-M255 WeakPolarHBondContact CE2-O 3.26Å; F175-M255 HydrophobicContact CG-CB 3.62Å; F175-M255 HydrophobicContact CG-CE 4.33Å; F175-M255 HydrophobicContact CG-SD 4.2Å |
| 176 | A | 93.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E173 K183 | E173-A176 VanDerWaalsContact O-CB 3.29Å; E173-A176 WeakPolarHBondContact O-CB 3.48Å; E173-A176 PolarHBondContact O-N 2.86Å; A176-K183 PolarHBondContact O-NZ 3.43Å |
| 177 | N | 93.2 | Very high | 93.9 | Very high | 145 Ų | 145 | 69.9 Ų | 69.9 | 78% | 0.775 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 17.2 | 176.9 | -63.8 | -42 | 0 | 0 | 0 | 113.1 | F175 | F175-N177 PolarHBondContact O-N 3.16Š|
| 178 | S | 94.6 | Very high | 94 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | trans | -59.8 | 135.3 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | F175 L180 V181 | F175-S178 VanDerWaalsContact O-CB 3.24Å; F175-S178 WeakPolarHBondContact O-CB 3.46Å; F175-S178 PolarHBondContact O-N 3.15Å; S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 VanDerWaalsContact O-N 3.14Å; S178-L180 PolarHBondContact OG-N 3.08Å; S178-V181 PolarHBondContact O-N 3.17Å; S178-V181 VanDerWaalsContact O-N 3.08Å | ||
| 179 | P | 92.8 | Very high | 94.1 | Very high | 108 Ų | 108 | 64 Ų | 64 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.9 | 175.9 | 30.1 | -36.5 | 0 | 0 | 0 | 112.9 | V181 T289 | P179-V181 VanDerWaalsContact C-N 3.32Å; P179-T289 WeakPolarHBondContact O-CG2 3.4Å |
| 180 | L | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.1 | 173.7 | -59.8 | 178.5 | 0 | 0 | 0 | 112.2 | S178 D182 I235 T238 M255 Y288 T289 I290 | S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 VanDerWaalsContact O-N 3.14Å; S178-L180 PolarHBondContact OG-N 3.08Å; L180-D182 PolarHBondContact O-N 3.01Å; L180-I235 HydrophobicContact CD1-CB 4.15Å; L180-I235 HydrophobicContact CD1-CG1 4.19Å; L180-I235 HydrophobicContact CD2-CB 4.45Å; L180-I235 HydrophobicContact CD2-CG1 4.35Å; L180-I235 HydrophobicContact CD2-CG2 4.12Å; L180-T238 HydrophobicContact CD1-CG2 3.98Å; L180-M255 HydrophobicContact CB-CE 4.3Å; L180-M255 HydrophobicContact CD1-CE 4.21Å; L180-Y288 HydrophobicContact CD2-CD1 4.48Å; L180-Y288 WeakPolarHBondContact CD2-O 3.39Å; L180-T289 CarbonylContact O-C 3.55Å; L180-T289 VanDerWaalsContact O-CA 3.26Å; L180-T289 WeakPolarHBondContact O-CA 3.38Å; L180-T289 WeakPolarHBondContact O-CB 3.34Å; L180-I290 HydrophobicContact CB-CG1 4.26Å; L180-I290 WeakPolarHBondContact O-CG1 3.31Å; L180-I290 PolarHBondContact O-N 3.07Å |
| 181 | V | 94.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -86.7 | 110.1 | -174.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | P168 V170 S178 P179 K183 L253 M255 | P168-V181 HydrophobicContact CB-CG1 3.9Å; P168-V181 HydrophobicContact CG-CG1 3.86Å; V170-V181 HydrophobicContact CG2-CG1 4.05Å; V170-V181 HydrophobicContact CG2-CG2 3.99Å; S178-V181 PolarHBondContact O-N 3.17Å; S178-V181 VanDerWaalsContact O-N 3.08Å; P179-V181 VanDerWaalsContact C-N 3.32Å; V181-K183 HydrophobicContact CG1-CG 4.31Å; V181-L253 HydrophobicContact CG1-CD2 4.15Å; V181-L253 HydrophobicContact CG2-CD2 3.92Å; V181-M255 HydrophobicContact CG2-CE 4.42Å; V181-M255 HydrophobicContact CG2-SD 3.83Å | ||
| 182 | D | 90.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | trans | -80.2 | 121 | 172.7 | -162.9 | -10.9 | 0 | 0 | 0 | 111 | L180 S184 K187 T289 | L180-D182 PolarHBondContact O-N 3.01Å; D182-S184 WeakPolarHBondContact OD1-CB 3.34Å; D182-S184 PolarHBondContact OD1-N 3.19Å; D182-S184 PolarHBondContact OD1-OG 2.95Å; D182-K187 WeakPolarHBondContact OD2-CD 3.44Å; D182-K187 IonicContact OD2-NZ 2.76Å; D182-K187 PolarHBondContact OD2-NZ 3.48Å; D182-T289 HydrophobicContact CB-CG2 4.07Å | ||
| 183 | K | 89.4 | Confident | 94.5 | Very high | 128 Ų | 128 | 53.8 Ų | 53.8 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | trans | -102.1 | 1.6 | 177.7 | -59.7 | -179.3 | -175.9 | 178 | 0 | 112.2 | P168 A176 V181 | P168-K183 HydrophobicContact CG-CG 4.14Å; A176-K183 PolarHBondContact O-NZ 3.43Å; V181-K183 HydrophobicContact CG1-CG 4.31Å | ||
| 184 | S | 88.6 | Confident | 94.7 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | trans | -72.3 | 129.9 | -178.4 | -44.8 | 0 | 0 | 0 | 0 | 109.7 | D182 | D182-S184 WeakPolarHBondContact OD1-CB 3.34Å; D182-S184 PolarHBondContact OD1-N 3.19Å; D182-S184 PolarHBondContact OD1-OG 2.95Å | ||
| 185 | P | 86.3 | Confident | 94.8 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 64% | 0.643 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -66.6 | -42 | -179.9 | 24.9 | -32.4 | 0 | 0 | 0 | 111.8 | T164 G165 | T164-P185 CarbonylContact C-O 3.57Å; T164-P185 WeakPolarHBondContact CA-O 3.34Å; G165-P185 PolarHBondContact N-O 3.23Å |
| 186 | T | 94.5 | Very high | 94.9 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.2 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | E162 K163 T164 | E162-T186 HydrophobicContact CB-CG2 4.49Å; K163-T186 CarbonylContact O-C 3.54Å; K163-T186 VanDerWaalsContact O-CA 3.28Å; K163-T186 WeakPolarHBondContact O-CA 3.39Å; T164-T186 WeakPolarHBondContact OG1-CG2 3.2Å; T164-T186 PolarHBondContact OG1-OG1 2.74Å |
| 187 | K | 94.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 53 Ų | 53 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.9 | 177 | 70.6 | -169.3 | -179.1 | -177.6 | 0 | 111.8 | S128 S129 E162 K163 D182 | S128-K187 PolarHBondContact OG-NZ 3.31Å; S129-K187 WeakPolarHBondContact OG-CE 3.43Å; S129-K187 PolarHBondContact OG-NZ 3.45Å; E162-K187 CarbonylContact C-O 3.42Å; E162-K187 VanDerWaalsContact CA-O 3.28Å; E162-K187 WeakPolarHBondContact CA-O 3.01Å; E162-K187 WeakPolarHBondContact CB-O 3.33Å; K163-K187 PolarHBondContact N-O 3.45Å; K163-K187 PolarHBondContact O-N 3.15Å; D182-K187 WeakPolarHBondContact OD2-CD 3.44Å; D182-K187 IonicContact OD2-NZ 2.76Å; D182-K187 PolarHBondContact OD2-NZ 3.48Å |
| 188 | K | 97.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 139.3 | 166.4 | -67.6 | 175.6 | -176.8 | 176.7 | 0 | 108.7 | Y94 N96 T160 | Y94-K188 HydrophobicContact CD1-CB 3.6Å; Y94-K188 HydrophobicContact CD1-CD 4.39Å; Y94-K188 HydrophobicContact CD2-CB 4.03Å; Y94-K188 HydrophobicContact CD2-CD 4.03Å; Y94-K188 HydrophobicContact CE1-CB 4Å; Y94-K188 HydrophobicContact CE1-CD 4.04Å; Y94-K188 HydrophobicContact CE2-CB 4.4Å; Y94-K188 HydrophobicContact CE2-CD 3.65Å; Y94-K188 HydrophobicContact CG-CB 3.58Å; Y94-K188 HydrophobicContact CG-CD 4.36Å; N96-K188 PolarHBondContact ND2-O 2.89Å; N96-K188 VanDerWaalsContact ND2-O 3.12Å; T160-K188 HydrophobicContact CG2-CB 4.32Å; T160-K188 HydrophobicContact CG2-CD 4.11Å; T160-K188 HydrophobicContact CG2-CG 3.97Å |
| 189 | I | 97.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -63.9 | -176.8 | -59.1 | -179.2 | 0 | 0 | 0 | 109.3 | Y94 F125 F150 L161 K163 | Y94-I189 PolarHBondContact N-O 3.21Å; F125-I189 HydrophobicContact CD1-CG2 4.02Å; F125-I189 HydrophobicContact CD2-CG2 3.73Å; F125-I189 HydrophobicContact CE1-CG2 3.69Å; F125-I189 HydrophobicContact CE2-CG2 3.4Å; F125-I189 HydrophobicContact CG-CG2 4.02Å; F125-I189 HydrophobicContact CZ-CG2 3.36Å; F150-I189 HydrophobicContact CD1-CD1 4.17Å; F150-I189 HydrophobicContact CE1-CD1 3.83Å; L161-I189 HydrophobicContact CB-CB 4.44Å; L161-I189 HydrophobicContact CD2-CB 4.27Å; L161-I189 HydrophobicContact CD2-CD1 3.96Å; L161-I189 HydrophobicContact CD2-CG2 4.36Å; L161-I189 HydrophobicContact CG-CB 4.26Å; L161-I189 HydrophobicContact CG-CD1 4.04Å; L161-I189 PolarHBondContact O-N 3.27Å; K163-I189 HydrophobicContact CB-CD1 3.7Å; K163-I189 HydrophobicContact CB-CG1 4.36Å |
| 190 | Y | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 163.2 | 177 | 54.7 | -111 | 0 | 0 | 0 | 111.7 | R92 H107 I109 D122 F125 L161 F192 | R92-Y190 CarbonylContact O-C 3.52Å; R92-Y190 WeakPolarHBondContact O-CA 3.36Å; R92-Y190 VanDerWaalsContact O-CB 3.29Å; R92-Y190 WeakPolarHBondContact O-CB 3.35Å; H107-Y190 AromaticContact CD2-CD1 3.55Å; H107-Y190 AromaticContact CD2-CE1 3.69Å; H107-Y190 AromaticContact NE2-CD1 3.92Å; H107-Y190 AromaticContact NE2-CE1 3.66Å; I109-Y190 HydrophobicContact CD1-CE2 3.94Å; I109-Y190 HydrophobicContact CG2-CE1 4.41Å; I109-Y190 HydrophobicContact CG2-CE2 4.31Å; D122-Y190 VanDerWaalsContact OD2-CE1 3.27Å; D122-Y190 WeakPolarHBondContact OD2-CE1 3.23Å; D122-Y190 PolarHBondContact OD2-OH 2.92Å; F125-Y190 AromaticContact CD2-CD1 3.64Å; F125-Y190 HydrophobicContact CD2-CD1 3.64Å; F125-Y190 AromaticContact CD2-CE1 3.94Å; F125-Y190 HydrophobicContact CD2-CE1 3.94Å; F125-Y190 AromaticContact CE2-CD1 3.77Å; F125-Y190 HydrophobicContact CE2-CD1 3.77Å; F125-Y190 HydrophobicContact CE2-CE1 4.49Å; L161-Y190 HydrophobicContact CB-CD2 4.14Å; L161-Y190 HydrophobicContact CB-CE2 3.88Å; L161-Y190 HydrophobicContact CD2-CE1 3.75Å; L161-Y190 HydrophobicContact CD2-CE2 4.02Å; L161-Y190 VanDerWaalsContact CD2-CZ 3.46Å; L161-Y190 WeakPolarHBondContact CD2-OH 3.41Å; L161-Y190 PolarHBondContact N-O 3.32Å; Y190-F192 AromaticContact CD2-CD1 3.89Å; Y190-F192 HydrophobicContact CD2-CD1 3.89Å; Y190-F192 HydrophobicContact CD2-CE1 4.44Å; Y190-F192 AromaticContact CE2-CD1 3.82Å; Y190-F192 HydrophobicContact CE2-CD1 3.82Å; Y190-F192 HydrophobicContact CE2-CE1 4.01Å |
| 191 | G | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S91 R92 W159 | S91-G191 CarbonylContact C-O 3.49Å; S91-G191 VanDerWaalsContact CA-O 3.28Å; S91-G191 WeakPolarHBondContact CA-O 3.43Å; R92-G191 PolarHBondContact N-O 3.11Å; R92-G191 PolarHBondContact O-N 3.13Å; W159-G191 CarbonylContact O-C 3.55Å; W159-G191 WeakPolarHBondContact O-CA 3.43Å |
| 192 | F | 98.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162.6 | -176 | 63.4 | -84.2 | 0 | 0 | 0 | 111.9 | L89 G90 S91 I109 I120 L137 L152 W159 Y190 L194 | L89-F192 HydrophobicContact CD1-CD2 3.95Å; L89-F192 HydrophobicContact CD1-CE2 4.18Å; G90-F192 WeakPolarHBondContact O-CB 3.45Å; S91-F192 WeakPolarHBondContact OG-CB 3.28Å; I109-F192 HydrophobicContact CD1-CB 4.26Å; I109-F192 HydrophobicContact CD1-CD1 3.88Å; I109-F192 HydrophobicContact CD1-CD2 4.06Å; I109-F192 HydrophobicContact CD1-CE1 4.19Å; I109-F192 HydrophobicContact CD1-CE2 4.36Å; I109-F192 HydrophobicContact CD1-CG 3.81Å; I109-F192 HydrophobicContact CD1-CZ 4.42Å; I120-F192 HydrophobicContact CD1-CE2 3.7Å; I120-F192 HydrophobicContact CD1-CZ 3.79Å; I120-F192 HydrophobicContact CG1-CE2 4.27Å; I120-F192 HydrophobicContact CG1-CZ 3.83Å; L137-F192 HydrophobicContact CD1-CE2 4.17Å; L137-F192 HydrophobicContact CD1-CZ 4Å; L152-F192 HydrophobicContact CD2-CE1 3.77Å; L152-F192 HydrophobicContact CD2-CZ 3.91Å; W159-F192 HydrophobicContact CB-CD1 4.01Å; W159-F192 HydrophobicContact CB-CD2 4.02Å; W159-F192 HydrophobicContact CB-CE1 3.64Å; W159-F192 HydrophobicContact CB-CE2 3.64Å; W159-F192 HydrophobicContact CB-CG 4.19Å; W159-F192 HydrophobicContact CB-CZ 3.44Å; W159-F192 VanDerWaalsContact CB-CZ 3.44Å; W159-F192 AromaticContact CG-CE2 3.99Å; W159-F192 HydrophobicContact CG-CE2 3.99Å; W159-F192 HydrophobicContact CG-CZ 4.05Å; W159-F192 PolarHBondContact N-O 3.2Å; W159-F192 PolarHBondContact O-N 2.82Å; Y190-F192 AromaticContact CD2-CD1 3.89Å; Y190-F192 HydrophobicContact CD2-CD1 3.89Å; Y190-F192 HydrophobicContact CD2-CE1 4.44Å; Y190-F192 AromaticContact CE2-CD1 3.82Å; Y190-F192 HydrophobicContact CE2-CD1 3.82Å; Y190-F192 HydrophobicContact CE2-CE1 4.01Å; F192-L194 HydrophobicContact CD2-CD2 4.32Å; F192-L194 HydrophobicContact CE2-CD2 3.92Å |
| 193 | T | 98.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 166.4 | 168.6 | 66.2 | 0 | 0 | 0 | 0 | 108.9 | V195 | T193-V195 PolarHBondContact O-N 3.21Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.2Å |
| 194 | L | 98.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 12.5 | 178 | -56.4 | -177 | 0 | 0 | 0 | 113.5 | L89 K111 L137 F192 P196 | L89-L194 HydrophobicContact CD1-CD2 4.19Å; K111-L194 HydrophobicContact CD-CD2 4.39Å; L137-L194 HydrophobicContact CD2-CD1 4.12Å; L137-L194 HydrophobicContact CD2-CD2 3.74Å; F192-L194 HydrophobicContact CD2-CD2 4.32Å; F192-L194 HydrophobicContact CE2-CD2 3.92Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å |
| 195 | V | 98.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 42% | 0.418 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.8 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L89 T193 | L89-V195 WeakPolarHBondContact CD2-O 3.43Å; T193-V195 PolarHBondContact O-N 3.21Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.2Å |
| 196 | P | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 139.4 | 176.3 | -23.9 | 34.7 | 0 | 0 | 0 | 112.1 | V87 L194 | V87-P196 HydrophobicContact CG1-CB 3.83Å; V87-P196 HydrophobicContact CG1-CG 3.91Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å |
| 197 | R | 97.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | trans | -121.2 | 140.4 | 175 | -59.4 | -55.2 | -170.6 | -162.7 | -0 | 110.6 | T88 D105 H201 F202 | T88-R197 WeakPolarHBondContact CB-O 3.28Å; T88-R197 PolarHBondContact O-N 3.1Å; D105-R197 IonicContact OD2-NE 3.58Å; D105-R197 IonicContact OD2-NH2 3.64Å; R197-H201 HydrophobicContact CB-CB 4.17Å; R197-H201 PolarHBondContact NE-CE1 2.87Å; R197-H201 PolarHBondContact NE-NE2 3.14Å; R197-F202 HydrophobicContact CB-CE2 3.84Å; R197-F202 HydrophobicContact CB-CZ 4.11Å; R197-F202 HydrophobicContact CG-CZ 4.42Å | ||
| 198 | G | 94.4 | Very high | 96.9 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | trans | -82.6 | 167.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D200 H201 F202 | G198-D200 VanDerWaalsContact C-OD1 3.25Å; G198-D200 VanDerWaalsContact CA-OD1 3.28Å; G198-D200 WeakPolarHBondContact CA-OD1 3.24Å; G198-D200 PolarHBondContact O-N 2.75Å; G198-H201 VanDerWaalsContact O-CB 3.28Å; G198-H201 WeakPolarHBondContact O-CB 3.41Å; G198-H201 PolarHBondContact O-N 2.79Å; G198-F202 WeakPolarHBondContact O-CD2 3.31Å | ||
| 199 | F | 90.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -64.2 | -28.5 | 176.8 | 73.1 | -92.5 | 0 | 0 | 0 | 112.1 | M50 L73 H201 F202 | M50-F199 HydrophobicContact CB-CD2 4.33Å; M50-F199 HydrophobicContact CE-CB 4.06Å; L73-F199 HydrophobicContact CD1-CB 4.06Å; L73-F199 HydrophobicContact CD2-CB 4.41Å; F199-H201 VanDerWaalsContact C-N 3.27Å; F199-H201 PolarHBondContact O-N 3.29Å; F199-F202 PolarHBondContact O-N 3.45Å; F199-F202 VanDerWaalsContact O-N 3.13Å |
| 200 | D | 95 | Very high | 96.9 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.7 | -32.9 | 178.1 | 59.5 | -42.9 | 0 | 0 | 0 | 112.5 | G198 F202 L203 | G198-D200 VanDerWaalsContact C-OD1 3.25Å; G198-D200 VanDerWaalsContact CA-OD1 3.28Å; G198-D200 WeakPolarHBondContact CA-OD1 3.24Å; G198-D200 PolarHBondContact O-N 2.75Å; D200-F202 PolarHBondContact O-N 2.84Å; D200-F202 VanDerWaalsContact O-N 3.1Å; D200-L203 HydrophobicContact CB-CD1 4.15Å; D200-L203 PolarHBondContact O-N 3.45Å; D200-L203 VanDerWaalsContact O-N 3.12Å |
| 201 | H | 97.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -54.9 | -28 | 173.4 | -174.4 | 80.5 | 0 | 0 | 0 | 113.1 | D105 R197 G198 F199 | D105-H201 IonicContact OD2-CD2 3.95Å; D105-H201 IonicContact OD2-CE1 3.72Å; D105-H201 IonicContact OD2-NE2 2.91Å; D105-H201 PolarHBondContact OD2-NE2 3.19Å; R197-H201 HydrophobicContact CB-CB 4.17Å; R197-H201 PolarHBondContact NE-CE1 2.87Å; R197-H201 PolarHBondContact NE-NE2 3.14Å; G198-H201 VanDerWaalsContact O-CB 3.28Å; G198-H201 WeakPolarHBondContact O-CB 3.41Å; G198-H201 PolarHBondContact O-N 2.79Å; F199-H201 VanDerWaalsContact C-N 3.27Å; F199-H201 PolarHBondContact O-N 3.29Å |
| 202 | F | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -98.5 | -4.8 | -176.3 | -57.2 | -86.5 | 0 | 0 | 0 | 113.5 | M50 T88 D105 L108 R197 G198 F199 D200 E204 T205 S206 | M50-F202 HydrophobicContact CE-CB 4Å; T88-F202 HydrophobicContact CG2-CE2 3.98Å; T88-F202 HydrophobicContact CG2-CZ 4.4Å; D105-F202 HydrophobicContact CB-CE1 4.49Å; L108-F202 HydrophobicContact CB-CD1 4.43Å; L108-F202 HydrophobicContact CB-CE1 4Å; L108-F202 HydrophobicContact CB-CE2 4.43Å; L108-F202 HydrophobicContact CB-CZ 3.99Å; L108-F202 HydrophobicContact CD1-CD2 3.78Å; L108-F202 HydrophobicContact CD1-CE2 3.66Å; L108-F202 HydrophobicContact CD1-CG 4.29Å; L108-F202 HydrophobicContact CD1-CZ 4.08Å; L108-F202 HydrophobicContact CG-CD2 4.44Å; L108-F202 HydrophobicContact CG-CE1 4.34Å; L108-F202 HydrophobicContact CG-CE2 3.9Å; L108-F202 HydrophobicContact CG-CZ 3.83Å; R197-F202 HydrophobicContact CB-CE2 3.84Å; R197-F202 HydrophobicContact CB-CZ 4.11Å; R197-F202 HydrophobicContact CG-CZ 4.42Å; G198-F202 WeakPolarHBondContact O-CD2 3.31Å; F199-F202 PolarHBondContact O-N 3.45Å; F199-F202 VanDerWaalsContact O-N 3.13Å; D200-F202 PolarHBondContact O-N 2.84Å; D200-F202 VanDerWaalsContact O-N 3.1Å; F202-E204 PolarHBondContact O-N 3.28Å; F202-T205 PolarHBondContact O-N 3.17Å; F202-S206 WeakPolarHBondContact O-CA 3.17Å; F202-S206 WeakPolarHBondContact O-CB 3.38Å; F202-S206 PolarHBondContact O-N 3Å |
| 203 | L | 96.2 | Very high | 96.6 | Very high | 86 Ų | 86 | 65 Ų | 65 | 45% | 0.45 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | -174.1 | -73.3 | 170.3 | 0 | 0 | 0 | 112.6 | M50 D200 H207 | M50-L203 HydrophobicContact CB-CD2 3.84Å; M50-L203 HydrophobicContact CG-CD2 3.78Å; D200-L203 HydrophobicContact CB-CD1 4.15Å; D200-L203 PolarHBondContact O-N 3.45Å; D200-L203 VanDerWaalsContact O-N 3.12Å; L203-H207 WeakPolarHBondContact O-CB 3.27Å; L203-H207 PolarHBondContact O-N 2.9Å |
| 204 | E | 96.6 | Very high | 96.4 | Very high | 163 Ų | 163 | 71.7 Ų | 71.7 | 76% | 0.762 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.2 | -47.7 | 179.8 | -175.6 | 178.3 | -178.9 | 0 | 0 | 111.3 | F202 S206 H207 C208 | F202-E204 PolarHBondContact O-N 3.28Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 3.11Å; E204-H207 WeakPolarHBondContact O-CB 3.37Å; E204-H207 PolarHBondContact O-N 2.83Å; E204-C208 WeakPolarHBondContact O-CB 3.37Å; E204-C208 PolarHBondContact O-N 3.41Å |
| 205 | T | 96.2 | Very high | 96.2 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | F202 H207 C208 L209 | F202-T205 PolarHBondContact O-N 3.17Å; T205-H207 PolarHBondContact O-N 2.7Å; T205-C208 PolarHBondContact O-N 3.21Å; T205-L209 HydrophobicContact CG2-CD1 4.03Å; T205-L209 HydrophobicContact CG2-CG 4.22Å; T205-L209 WeakPolarHBondContact O-CB 3.45Å; T205-L209 VanDerWaalsContact O-CG 3.23Å; T205-L209 WeakPolarHBondContact O-CG 3.46Å; T205-L209 PolarHBondContact O-N 3.5Å |
| 206 | S | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.028 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | W67 F202 E204 Q210 | W67-S206 WeakPolarHBondContact CH2-O 3.4Å; W67-S206 WeakPolarHBondContact CZ2-OG 3.26Å; F202-S206 WeakPolarHBondContact O-CA 3.17Å; F202-S206 WeakPolarHBondContact O-CB 3.38Å; F202-S206 PolarHBondContact O-N 3Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 3.11Å; S206-Q210 WeakPolarHBondContact O-CG 2.91Å; S206-Q210 PolarHBondContact O-N 3.31Å; S206-Q210 PolarHBondContact O-NE2 3.24Å |
| 207 | H | 96.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 64.7 Ų | 64.7 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 173.7 | 178.1 | -90.9 | 0 | 0 | 0 | 111.9 | L203 E204 T205 Q210 T211 | L203-H207 WeakPolarHBondContact O-CB 3.27Å; L203-H207 PolarHBondContact O-N 2.9Å; E204-H207 WeakPolarHBondContact O-CB 3.37Å; E204-H207 PolarHBondContact O-N 2.83Å; T205-H207 PolarHBondContact O-N 2.7Å; H207-Q210 WeakPolarHBondContact O-CG 3.47Å; H207-Q210 PolarHBondContact O-N 2.85Å; H207-T211 WeakPolarHBondContact O-CB 3.45Å; H207-T211 WeakPolarHBondContact O-CG2 3.26Å; H207-T211 PolarHBondContact O-N 2.6Å; H207-T211 PolarHBondContact O-OG1 2.83Å |
| 208 | C | 97.3 | Very high | 96 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 37% | 0.372 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.6 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | E204 T205 Q210 T211 D212 | E204-C208 WeakPolarHBondContact O-CB 3.37Å; E204-C208 PolarHBondContact O-N 3.41Å; T205-C208 PolarHBondContact O-N 3.21Å; C208-Q210 VanDerWaalsContact C-N 3.25Å; C208-Q210 PolarHBondContact O-N 2.81Å; C208-T211 PolarHBondContact O-N 2.88Å; C208-T211 VanDerWaalsContact O-N 3.15Å; C208-D212 VanDerWaalsContact O-CB 3.26Å; C208-D212 WeakPolarHBondContact O-CB 3.33Å; C208-D212 PolarHBondContact O-N 3.03Å |
| 209 | L | 96.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -30.3 | -179.2 | -73 | 174.3 | 0 | 0 | 0 | 113.6 | W67 T205 S215 F217 | W67-L209 HydrophobicContact CH2-CB 3.82Å; W67-L209 HydrophobicContact CZ3-CB 3.73Å; T205-L209 HydrophobicContact CG2-CD1 4.03Å; T205-L209 HydrophobicContact CG2-CG 4.22Å; T205-L209 WeakPolarHBondContact O-CB 3.45Å; T205-L209 VanDerWaalsContact O-CG 3.23Å; T205-L209 WeakPolarHBondContact O-CG 3.46Å; T205-L209 PolarHBondContact O-N 3.5Å; L209-S215 WeakPolarHBondContact O-CB 3.31Å; L209-S215 PolarHBondContact O-OG 2.8Å; L209-F217 HydrophobicContact CB-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CD2 4.47Å; L209-F217 HydrophobicContact CD1-CE2 4.15Å; L209-F217 HydrophobicContact CD2-CD2 4.01Å; L209-F217 HydrophobicContact CD2-CE2 4.06Å; L209-F217 HydrophobicContact CG-CD2 4.39Å; L209-F217 HydrophobicContact CG-CE2 4.47Å |
| 210 | Q | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -95 | -6.2 | 178.4 | 69.9 | -170.8 | -59.6 | 0 | 0 | 114.8 | I42 I48 W67 S206 H207 C208 T218 | I42-Q210 HydrophobicContact CD1-CB 3.72Å; I42-Q210 HydrophobicContact CG1-CB 4.01Å; I48-Q210 PolarHBondContact O-NE2 3.1Å; I48-Q210 VanDerWaalsContact O-NE2 3.1Å; I48-Q210 PolarHBondContact O-OE1 2.96Å; W67-Q210 HydrophobicContact CH2-CB 3.83Å; W67-Q210 HydrophobicContact CH2-CG 4.48Å; W67-Q210 HydrophobicContact CZ3-CB 4.34Å; S206-Q210 WeakPolarHBondContact O-CG 2.91Å; S206-Q210 PolarHBondContact O-N 3.31Å; S206-Q210 PolarHBondContact O-NE2 3.24Å; H207-Q210 WeakPolarHBondContact O-CG 3.47Å; H207-Q210 PolarHBondContact O-N 2.85Å; C208-Q210 VanDerWaalsContact C-N 3.25Å; C208-Q210 PolarHBondContact O-N 2.81Å; Q210-T218 WeakPolarHBondContact O-CG2 3.43Å |
| 211 | T | 97.6 | Very high | 96.7 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 47% | 0.466 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -124.4 | -28 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | H207 C208 | H207-T211 WeakPolarHBondContact O-CB 3.45Å; H207-T211 WeakPolarHBondContact O-CG2 3.26Å; H207-T211 PolarHBondContact O-N 2.6Å; H207-T211 PolarHBondContact O-OG1 2.83Å; C208-T211 PolarHBondContact O-N 2.88Å; C208-T211 VanDerWaalsContact O-N 3.15Å |
| 212 | D | 96.9 | Very high | 96.8 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | trans | -68 | 123.9 | -179.7 | -173 | -26 | 0 | 0 | 0 | 109.9 | C208 K214 S215 T218 | C208-D212 VanDerWaalsContact O-CB 3.26Å; C208-D212 WeakPolarHBondContact O-CB 3.33Å; C208-D212 PolarHBondContact O-N 3.03Å; D212-K214 PolarHBondContact O-N 2.87Å; D212-K214 WeakPolarHBondContact OD1-CB 3.47Å; D212-K214 PolarHBondContact OD1-N 2.98Å; D212-S215 VanDerWaalsContact O-CB 3.25Å; D212-S215 WeakPolarHBondContact O-CB 2.95Å; D212-S215 PolarHBondContact O-N 3.2Å; D212-T218 WeakPolarHBondContact O-CG2 2.86Å; D212-T218 PolarHBondContact O-OG1 3.06Å | ||
| 213 | P | 95.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.5 | 177.5 | 27.9 | -37.3 | 0 | 0 | 0 | 114.1 | N219 | P213-N219 PolarHBondContact O-ND2 2.87Š|
| 214 | K | 93.6 | Very high | 97 | Very high | 183 Ų | 183 | 45.9 Ų | 45.9 | 80% | 0.796 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.9 | 173.4 | -61.1 | 177 | -178.6 | 173.7 | 0 | 113.2 | D212 | D212-K214 PolarHBondContact O-N 2.87Å; D212-K214 WeakPolarHBondContact OD1-CB 3.47Å; D212-K214 PolarHBondContact OD1-N 2.98Å |
| 215 | S | 95.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -63.5 | 143.4 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L209 D212 F217 T218 N219 | L209-S215 WeakPolarHBondContact O-CB 3.31Å; L209-S215 PolarHBondContact O-OG 2.8Å; D212-S215 VanDerWaalsContact O-CB 3.25Å; D212-S215 WeakPolarHBondContact O-CB 2.95Å; D212-S215 PolarHBondContact O-N 3.2Å; S215-F217 PolarHBondContact O-N 3.13Å; S215-F217 PolarHBondContact OG-N 2.74Å; S215-F217 VanDerWaalsContact OG-N 3.15Å; S215-T218 PolarHBondContact O-N 3.48Å; S215-T218 PolarHBondContact O-OG1 2.95Å; S215-N219 PolarHBondContact O-N 2.76Å; S215-N219 PolarHBondContact O-ND2 3.36Å |
| 216 | L | 95.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.8 | -42.6 | 168.7 | 169.6 | 62.6 | 0 | 0 | 0 | 110.8 | T218 N219 K220 I222 A286 Y288 | L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.39Å; L216-N219 CarbonylContact O-C 3.5Å; L216-N219 PolarHBondContact O-N 3.33Å; L216-N219 VanDerWaalsContact O-N 3.08Å; L216-K220 HydrophobicContact CD1-CB 4.24Å; L216-K220 HydrophobicContact CD1-CD 3.8Å; L216-K220 HydrophobicContact CD1-CG 4.04Å; L216-K220 PolarHBondContact O-N 2.93Å; L216-I222 HydrophobicContact CD1-CD1 4.38Å; L216-I222 HydrophobicContact CD2-CD1 4.28Å; L216-I222 HydrophobicContact CG-CD1 4.21Å; L216-A286 HydrophobicContact CD1-CB 4.03Å; L216-Y288 HydrophobicContact CD1-CD2 4.37Å; L216-Y288 HydrophobicContact CD1-CG 4.27Å; L216-Y288 HydrophobicContact CD2-CD2 3.51Å; L216-Y288 HydrophobicContact CD2-CE2 4.11Å; L216-Y288 HydrophobicContact CD2-CG 4.23Å |
| 217 | F | 97.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 39 Ų | 39 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.7 | -19.9 | -170.3 | -59.9 | -71.8 | 0 | 0 | 0 | 113.9 | F37 N39 I42 H43 W67 L209 S215 | F37-F217 AromaticContact CZ-CE1 3.9Å; F37-F217 HydrophobicContact CZ-CE1 3.9Å; F37-F217 HydrophobicContact CZ-CZ 4.4Å; N39-F217 HydrophobicContact CB-CD1 4Å; N39-F217 WeakPolarHBondContact ND2-CA 3.19Å; N39-F217 PolarHBondContact ND2-O 3.39Å; I42-F217 HydrophobicContact CD1-CB 3.86Å; H43-F217 PolarHBondContact CE1-O 3.24Å; H43-F217 VanDerWaalsContact CE1-O 3.3Å; H43-F217 PolarHBondContact NE2-O 3.32Å; W67-F217 HydrophobicContact CE3-CD1 4.1Å; W67-F217 HydrophobicContact CE3-CD2 4.03Å; W67-F217 HydrophobicContact CE3-CE1 4.27Å; W67-F217 HydrophobicContact CE3-CE2 4.2Å; W67-F217 AromaticContact CE3-CG 3.97Å; W67-F217 HydrophobicContact CE3-CG 3.97Å; W67-F217 HydrophobicContact CE3-CZ 4.32Å; W67-F217 HydrophobicContact CZ3-CB 4.23Å; W67-F217 AromaticContact CZ3-CD2 3.92Å; W67-F217 HydrophobicContact CZ3-CD2 3.92Å; W67-F217 HydrophobicContact CZ3-CE2 4.42Å; W67-F217 HydrophobicContact CZ3-CG 4.01Å; L209-F217 HydrophobicContact CB-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CD2 4.47Å; L209-F217 HydrophobicContact CD1-CE2 4.15Å; L209-F217 HydrophobicContact CD2-CD2 4.01Å; L209-F217 HydrophobicContact CD2-CE2 4.06Å; L209-F217 HydrophobicContact CG-CD2 4.39Å; L209-F217 HydrophobicContact CG-CE2 4.47Å; S215-F217 PolarHBondContact O-N 3.13Å; S215-F217 PolarHBondContact OG-N 2.74Å; S215-F217 VanDerWaalsContact OG-N 3.15Å |
| 218 | T | 97.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -87.3 | -16.9 | 170.7 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | Q210 D212 S215 L216 | Q210-T218 WeakPolarHBondContact O-CG2 3.43Å; D212-T218 WeakPolarHBondContact O-CG2 2.86Å; D212-T218 PolarHBondContact O-OG1 3.06Å; S215-T218 PolarHBondContact O-N 3.48Å; S215-T218 PolarHBondContact O-OG1 2.95Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.39Å |
| 219 | N | 97.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -102.4 | -15.4 | -177.2 | -79.6 | -76.3 | 0 | 0 | 0 | 114.5 | P213 S215 L216 N284 A286 | P213-N219 PolarHBondContact O-ND2 2.87Å; S215-N219 PolarHBondContact O-N 2.76Å; S215-N219 PolarHBondContact O-ND2 3.36Å; L216-N219 CarbonylContact O-C 3.5Å; L216-N219 PolarHBondContact O-N 3.33Å; L216-N219 VanDerWaalsContact O-N 3.08Å; N219-N284 HydrophobicContact CB-CB 4Å; N219-N284 WeakPolarHBondContact O-CB 3.39Å; N219-N284 PolarHBondContact O-N 2.95Å; N219-N284 WeakPolarHBondContact OD1-CB 2.97Å; N219-N284 PolarHBondContact OD1-ND2 3.12Å; N219-N284 VanDerWaalsContact OD1-ND2 3.15Å; N219-A286 HydrophobicContact CB-CB 3.98Å |
| 220 | K | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -136.5 | 131.5 | 175.6 | -64.1 | -167.1 | -176.9 | -63.6 | 0 | 111 | N39 H43 L216 I222 I235 I282 N283 N284 A286 | N39-K220 PolarHBondContact ND2-O 3.12Å; H43-K220 PolarHBondContact NE2-O 3.09Å; H43-K220 VanDerWaalsContact NE2-O 3.13Å; L216-K220 HydrophobicContact CD1-CB 4.24Å; L216-K220 HydrophobicContact CD1-CD 3.8Å; L216-K220 HydrophobicContact CD1-CG 4.04Å; L216-K220 PolarHBondContact O-N 2.93Å; K220-I222 HydrophobicContact CB-CD1 4.06Å; K220-I222 HydrophobicContact CB-CG1 3.88Å; K220-I235 HydrophobicContact CB-CG2 4.43Å; K220-I235 HydrophobicContact CD-CG2 3.87Å; K220-I282 WeakPolarHBondContact CA-O 3.18Å; K220-N283 PolarHBondContact NZ-OD1 3.3Å; K220-N284 PolarHBondContact NZ-O 3.09Å; K220-A286 WeakPolarHBondContact CE-O 3.39Å; K220-A286 PolarHBondContact NZ-O 2.92Å |
| 221 | S | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | trans | -83.9 | 121.9 | 163 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | H43 I235 G236 I282 | H43-S221 VanDerWaalsContact CD2-CB 3.46Å; H43-S221 WeakPolarHBondContact CD2-CB 3.45Å; H43-S221 WeakPolarHBondContact NE2-CA 3.48Å; S221-I235 CarbonylContact O-C 3.41Å; S221-I235 WeakPolarHBondContact O-CA 3.43Å; S221-G236 PolarHBondContact O-N 3Å; S221-G236 WeakPolarHBondContact OG-CA 3.15Å; S221-G236 PolarHBondContact OG-N 2.89Å; S221-I282 PolarHBondContact N-O 3.45Å; S221-I282 PolarHBondContact OG-N 2.68Å; S221-I282 VanDerWaalsContact OG-N 3.09Å; S221-I282 PolarHBondContact OG-O 2.8Å | ||
| 222 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.9 | -168.9 | -58.5 | 171.1 | 0 | 0 | 0 | 108 | F37 E38 N39 L216 K220 I235 Y288 | F37-I222 HydrophobicContact CD1-CG2 4.09Å; F37-I222 HydrophobicContact CE1-CG2 3.81Å; E38-I222 WeakPolarHBondContact CA-O 3.27Å; E38-I222 WeakPolarHBondContact CB-O 3.41Å; N39-I222 PolarHBondContact N-O 2.82Å; N39-I222 VanDerWaalsContact N-O 3.1Å; N39-I222 PolarHBondContact OD1-N 2.95Å; N39-I222 PolarHBondContact OD1-O 2.8Å; L216-I222 HydrophobicContact CD1-CD1 4.38Å; L216-I222 HydrophobicContact CD2-CD1 4.28Å; L216-I222 HydrophobicContact CG-CD1 4.21Å; K220-I222 HydrophobicContact CB-CD1 4.06Å; K220-I222 HydrophobicContact CB-CG1 3.88Å; I222-I235 HydrophobicContact CB-CD1 4.16Å; I222-I235 HydrophobicContact CG1-CD1 4.03Å; I222-I235 HydrophobicContact CG2-CD1 3.71Å; I222-Y288 HydrophobicContact CD1-CD1 4.27Å; I222-Y288 HydrophobicContact CD1-CD2 4.39Å; I222-Y288 HydrophobicContact CD1-CE1 4.11Å; I222-Y288 HydrophobicContact CD1-CE2 4.22Å; I222-Y288 HydrophobicContact CD1-CG 4.41Å; I222-Y288 HydrophobicContact CG1-CE1 4.45Å; I222-Y288 HydrophobicContact CG2-CE1 4.16Å |
| 223 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.1 | 165.3 | -177 | 0 | 0 | 0 | 0 | 108.3 | F37 E38 L40 A233 L234 L267 F271 | F37-C223 CarbonylContact O-C 3.52Å; F37-C223 WeakPolarHBondContact O-CA 3.46Å; E38-C223 HydrophobicContact CB-CB 4.08Å; L40-C223 HydrophobicContact CD1-CB 4.2Å; L40-C223 HydrophobicContact CD2-CB 4.45Å; L40-C223 HydrophobicContact CG-CB 4.49Å; C223-A233 CarbonylContact O-C 3.54Å; C223-A233 VanDerWaalsContact O-CA 3.28Å; C223-A233 WeakPolarHBondContact O-CA 3.36Å; C223-L234 PolarHBondContact N-O 3.08Å; C223-L234 PolarHBondContact O-N 3.11Å; C223-L267 HydrophobicContact CB-CD2 4.11Å; C223-F271 WeakPolarHBondContact SG-CD1 3.46Å |
| 224 | S | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.9 | 176.1 | 76.4 | 0 | 0 | 0 | 0 | 111.5 | P36 F37 V127 R232 | P36-S224 CarbonylContact C-O 3.55Å; P36-S224 VanDerWaalsContact CA-O 3.23Å; P36-S224 WeakPolarHBondContact CA-O 3.41Å; P36-S224 WeakPolarHBondContact CB-O 3.41Å; F37-S224 PolarHBondContact N-O 2.9Å; F37-S224 PolarHBondContact O-N 2.84Å; V127-S224 PolarHBondContact N-OG 3.47Å; S224-R232 CarbonylContact C-O 2.96Å; S224-R232 WeakPolarHBondContact CA-O 3.49Å; S224-R232 WeakPolarHBondContact CB-O 3.27Å |
| 225 | L | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 131.2 | -178 | -177.8 | 64.3 | 0 | 0 | 0 | 109.5 | M33 P36 F231 R232 F271 | M33-L225 WeakPolarHBondContact O-CD1 3.13Å; P36-L225 HydrophobicContact CG-CD1 4.16Å; L225-F231 CarbonylContact O-C 3.6Å; L225-F231 VanDerWaalsContact O-CA 3.27Å; L225-F231 WeakPolarHBondContact O-CA 3.47Å; L225-F231 WeakPolarHBondContact O-CB 3.45Å; L225-R232 PolarHBondContact N-O 2.96Å; L225-R232 PolarHBondContact O-N 3Å; L225-F271 HydrophobicContact CB-CD1 3.7Å; L225-F271 HydrophobicContact CB-CE1 4.16Å |
| 226 | Q | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 149.2 | 175.6 | -53.5 | -63.6 | -60.4 | 0 | 0 | 110 | V32 M33 V127 Q130 | V32-Q226 HydrophobicContact CB-CB 4.47Å; V32-Q226 HydrophobicContact CB-CG 3.93Å; V32-Q226 HydrophobicContact CG2-CB 4.32Å; V32-Q226 HydrophobicContact CG2-CG 4.08Å; V32-Q226 VanDerWaalsContact O-CB 3.26Å; V32-Q226 WeakPolarHBondContact O-CB 3.49Å; V32-Q226 WeakPolarHBondContact O-CG 3.34Å; V32-Q226 PolarHBondContact O-N 2.78Å; M33-Q226 WeakPolarHBondContact CA-O 3.39Å; M33-Q226 HydrophobicContact CG-CB 4.21Å; V127-Q226 PolarHBondContact O-NE2 3.37Å; Q130-Q226 HydrophobicContact CB-CG 4.27Å; Q130-Q226 HydrophobicContact CG-CG 3.81Å |
| 227 | T | 98.4 | Very high | 98.2 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 14% | 0.135 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 173.3 | 174.4 | 71.9 | 0 | 0 | 0 | 0 | 109.4 | M33 W132 T229 G230 R232 | M33-T227 WeakPolarHBondContact CE-O 3.34Å; W132-T227 VanDerWaalsContact CH2-O 3.22Å; W132-T227 WeakPolarHBondContact CH2-O 3.48Å; W132-T227 VanDerWaalsContact CZ2-O 3.26Å; W132-T227 WeakPolarHBondContact CZ2-O 3.18Å; T227-T229 PolarHBondContact O-N 2.96Å; T227-T229 VanDerWaalsContact O-N 3.11Å; T227-T229 PolarHBondContact OG1-N 2.96Å; T227-G230 PolarHBondContact N-O 3.03Å; T227-G230 PolarHBondContact O-N 2.85Å; T227-G230 WeakPolarHBondContact OG1-CA 3.49Å; T227-G230 PolarHBondContact OG1-N 2.82Å; T227-G230 PolarHBondContact OG1-O 2.82Å; T227-R232 HydrophobicContact CG2-CG 4Å |
| 228 | A | 96.6 | Very high | 98.3 | Very high | 84 Ų | 84 | 21 Ų | 21 | 69% | 0.694 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 229 | T | 96.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 20.2 Ų | 20.2 | 51% | 0.509 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | 0.9 | -174.3 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | T227 Y244 | T227-T229 PolarHBondContact O-N 2.96Å; T227-T229 VanDerWaalsContact O-N 3.11Å; T227-T229 PolarHBondContact OG1-N 2.96Å; T229-Y244 WeakPolarHBondContact O-CB 3.28Å; T229-Y244 PolarHBondContact O-N 3.37Å |
| 230 | G | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -137.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T227 V242 | T227-G230 PolarHBondContact N-O 3.03Å; T227-G230 PolarHBondContact O-N 2.85Å; T227-G230 WeakPolarHBondContact OG1-CA 3.49Å; T227-G230 PolarHBondContact OG1-N 2.82Å; T227-G230 PolarHBondContact OG1-O 2.82Å; G230-V242 CarbonylContact C-O 3.6Å; G230-V242 WeakPolarHBondContact CA-O 3.27Å |
| 231 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 163.6 | 173.2 | 69.9 | -84.3 | 0 | 0 | 0 | 111.7 | V127 L225 A233 V242 Y244 I290 | V127-F231 HydrophobicContact CB-CD2 4.31Å; V127-F231 HydrophobicContact CB-CE2 3.84Å; V127-F231 HydrophobicContact CB-CZ 4.18Å; V127-F231 HydrophobicContact CG1-CE2 4.15Å; L225-F231 CarbonylContact O-C 3.6Å; L225-F231 VanDerWaalsContact O-CA 3.27Å; L225-F231 WeakPolarHBondContact O-CA 3.47Å; L225-F231 WeakPolarHBondContact O-CB 3.45Å; F231-A233 HydrophobicContact CD2-CB 4.36Å; F231-A233 HydrophobicContact CE2-CB 4.16Å; F231-V242 HydrophobicContact CD1-CB 3.78Å; F231-V242 HydrophobicContact CD1-CG1 4.2Å; F231-V242 HydrophobicContact CD1-CG2 4.36Å; F231-V242 HydrophobicContact CD2-CG2 4.46Å; F231-V242 HydrophobicContact CE1-CB 3.42Å; F231-V242 VanDerWaalsContact CE1-CB 3.42Å; F231-V242 HydrophobicContact CE1-CG1 3.59Å; F231-V242 HydrophobicContact CE1-CG2 3.71Å; F231-V242 HydrophobicContact CE2-CB 4.25Å; F231-V242 HydrophobicContact CE2-CG2 3.78Å; F231-V242 HydrophobicContact CG-CB 4.36Å; F231-V242 HydrophobicContact CZ-CB 3.68Å; F231-V242 HydrophobicContact CZ-CG1 4.11Å; F231-V242 HydrophobicContact CZ-CG2 3.37Å; F231-V242 PolarHBondContact N-O 3.39Å; F231-V242 PolarHBondContact O-N 3.37Å; F231-Y244 AromaticContact CD1-CE1 3.98Å; F231-Y244 HydrophobicContact CD1-CE1 3.98Å; F231-Y244 AromaticContact CD1-CZ 3.76Å; F231-Y244 WeakPolarHBondContact CD1-OH 3.39Å; F231-Y244 HydrophobicContact CE1-CE1 4.07Å; F231-I290 HydrophobicContact CE2-CB 4.02Å; F231-I290 HydrophobicContact CZ-CB 4.1Å; F231-I290 WeakPolarHBondContact CZ-OXT 2.98Å |
| 232 | R | 98.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 21.2 Ų | 21.2 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.7 | 169.9 | -65.9 | 164.5 | -179.4 | 176.6 | -3.2 | 109.4 | S224 L225 T227 F239 S240 E241 M270 F271 | S224-R232 CarbonylContact C-O 2.96Å; S224-R232 WeakPolarHBondContact CA-O 3.49Å; S224-R232 WeakPolarHBondContact CB-O 3.27Å; L225-R232 PolarHBondContact N-O 2.96Å; L225-R232 PolarHBondContact O-N 3Å; T227-R232 HydrophobicContact CG2-CG 4Å; R232-F239 HydrophobicContact CB-CE2 4.37Å; R232-F239 HydrophobicContact CG-CZ 4.32Å; R232-S240 CarbonylContact C-O 3.52Å; R232-S240 VanDerWaalsContact CA-O 3.3Å; R232-S240 WeakPolarHBondContact CA-O 3.39Å; R232-E241 HydrophobicContact CG-CB 4.37Å; R232-E241 HydrophobicContact CG-CG 4.05Å; R232-E241 IonicContact CZ-OE1 2.71Å; R232-E241 VanDerWaalsContact CZ-OE1 3.32Å; R232-E241 IonicContact NE-OE1 3.42Å; R232-E241 PolarHBondContact NE-OE1 3.16Å; R232-E241 IonicContact NH2-OE1 3.21Å; R232-E241 PolarHBondContact NH2-OE1 3.26Å; R232-M270 VanDerWaalsContact CZ-CE 3.44Å; R232-M270 PolarHBondContact NH1-O 3.3Å; R232-F271 HydrophobicContact CB-CE1 3.78Å; R232-F271 HydrophobicContact CB-CZ 3.84Å |
| 233 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V127 C223 F231 I235 F239 S240 I290 | V127-A233 HydrophobicContact CG1-CB 4.41Å; C223-A233 CarbonylContact O-C 3.54Å; C223-A233 VanDerWaalsContact O-CA 3.28Å; C223-A233 WeakPolarHBondContact O-CA 3.36Å; F231-A233 HydrophobicContact CD2-CB 4.36Å; F231-A233 HydrophobicContact CE2-CB 4.16Å; A233-I235 HydrophobicContact CB-CD1 4.47Å; A233-F239 CarbonylContact O-C 3.55Å; A233-F239 WeakPolarHBondContact O-CA 3.21Å; A233-S240 PolarHBondContact N-O 3.14Å; A233-S240 PolarHBondContact O-N 3.02Å; A233-I290 HydrophobicContact CB-CG2 4.06Å |
| 234 | L | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 112.8 | 168.5 | 179.2 | 63.3 | 0 | 0 | 0 | 107.9 | C223 G236 T238 F239 I258 V263 V266 L267 F271 | C223-L234 PolarHBondContact N-O 3.08Å; C223-L234 PolarHBondContact O-N 3.11Å; L234-G236 WeakPolarHBondContact CD1-O 3.26Å; L234-T238 WeakPolarHBondContact CA-O 3.5Å; L234-F239 HydrophobicContact CD1-CB 4.15Å; L234-I258 HydrophobicContact CD1-CD1 3.77Å; L234-I258 HydrophobicContact CD1-CG1 4.38Å; L234-I258 HydrophobicContact CD2-CD1 4.49Å; L234-V263 HydrophobicContact CD2-CG1 4.26Å; L234-V266 HydrophobicContact CD2-CG1 4.26Å; L234-L267 HydrophobicContact CD2-CD2 3.84Å; L234-L267 HydrophobicContact CD2-CG 4.03Å; L234-F271 HydrophobicContact CB-CE2 3.95Å; L234-F271 HydrophobicContact CB-CZ 3.97Å |
| 235 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 101.9 | -178.7 | -46.1 | -60.4 | 0 | 0 | 0 | 108.8 | L180 K220 S221 I222 A233 W237 T238 Y288 I290 | L180-I235 HydrophobicContact CD1-CB 4.15Å; L180-I235 HydrophobicContact CD1-CG1 4.19Å; L180-I235 HydrophobicContact CD2-CB 4.45Å; L180-I235 HydrophobicContact CD2-CG1 4.35Å; L180-I235 HydrophobicContact CD2-CG2 4.12Å; K220-I235 HydrophobicContact CB-CG2 4.43Å; K220-I235 HydrophobicContact CD-CG2 3.87Å; S221-I235 CarbonylContact O-C 3.41Å; S221-I235 WeakPolarHBondContact O-CA 3.43Å; I222-I235 HydrophobicContact CB-CD1 4.16Å; I222-I235 HydrophobicContact CG1-CD1 4.03Å; I222-I235 HydrophobicContact CG2-CD1 3.71Å; A233-I235 HydrophobicContact CB-CD1 4.47Å; I235-W237 PolarHBondContact O-N 2.71Å; I235-T238 PolarHBondContact N-O 3.4Å; I235-T238 PolarHBondContact O-N 2.85Å; I235-Y288 HydrophobicContact CD1-CD1 4.08Å; I235-Y288 HydrophobicContact CD1-CE1 3.6Å; I235-Y288 HydrophobicContact CG1-CE1 4.45Å; I235-I290 HydrophobicContact CD1-CG2 4.43Å; I235-I290 HydrophobicContact CG1-CG2 4.13Å |
| 236 | G | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -109.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S221 L234 | S221-G236 PolarHBondContact O-N 3Å; S221-G236 WeakPolarHBondContact OG-CA 3.15Å; S221-G236 PolarHBondContact OG-N 2.89Å; L234-G236 WeakPolarHBondContact CD1-O 3.26Å |
| 237 | W | 98.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -5 | 179.3 | -61.8 | -89.3 | 0 | 0 | 0 | 114.2 | I235 F239 D257 I258 D260 P281 N283 | I235-W237 PolarHBondContact O-N 2.71Å; W237-F239 PolarHBondContact O-N 3Å; W237-D257 CarbonylContact O-C 3.56Å; W237-D257 WeakPolarHBondContact O-CA 3.22Å; W237-I258 WeakPolarHBondContact O-CG1 3.47Å; W237-I258 PolarHBondContact O-N 3.33Å; W237-D260 PolarHBondContact NE1-OD1 3.05Å; W237-P281 HydrophobicContact CD2-CB 4.21Å; W237-P281 HydrophobicContact CH2-CB 4.19Å; W237-P281 WeakPolarHBondContact CH2-O 3.2Å; W237-P281 HydrophobicContact CZ2-CB 3.75Å; W237-P281 HydrophobicContact CZ2-CG 4.26Å; W237-N283 HydrophobicContact CE3-CB 4.31Å; W237-N283 HydrophobicContact CZ3-CB 4.29Å |
| 238 | T | 98.5 | Very high | 95 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107 | -179.2 | -55 | 0 | 0 | 0 | 0 | 108.9 | F175 L180 L234 I235 M255 D257 | F175-T238 HydrophobicContact CD1-CG2 4.23Å; F175-T238 HydrophobicContact CE1-CG2 3.65Å; F175-T238 HydrophobicContact CZ-CG2 4.4Å; L180-T238 HydrophobicContact CD1-CG2 3.98Å; L234-T238 WeakPolarHBondContact CA-O 3.5Å; I235-T238 PolarHBondContact N-O 3.4Å; I235-T238 PolarHBondContact O-N 2.85Å; T238-M255 HydrophobicContact CG2-CE 3.97Å; T238-D257 PolarHBondContact OG1-OD1 2.83Å |
| 239 | F | 98.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139.4 | 169.4 | 178.2 | -98.8 | 0 | 0 | 0 | 109.7 | R232 A233 L234 W237 E241 M255 K256 I258 V266 M270 F271 | R232-F239 HydrophobicContact CB-CE2 4.37Å; R232-F239 HydrophobicContact CG-CZ 4.32Å; A233-F239 CarbonylContact O-C 3.55Å; A233-F239 WeakPolarHBondContact O-CA 3.21Å; L234-F239 HydrophobicContact CD1-CB 4.15Å; W237-F239 PolarHBondContact O-N 3Å; F239-E241 HydrophobicContact CE1-CB 4.22Å; F239-E241 HydrophobicContact CZ-CB 4.38Å; F239-M255 WeakPolarHBondContact O-CA 3.4Å; F239-K256 HydrophobicContact CB-CG 4.31Å; F239-K256 HydrophobicContact CD1-CG 4.29Å; F239-K256 PolarHBondContact N-O 3.28Å; F239-K256 PolarHBondContact O-N 3.17Å; F239-K256 VanDerWaalsContact O-O 3.13Å; F239-I258 HydrophobicContact CB-CG2 4.06Å; F239-V266 HydrophobicContact CD2-CG1 3.61Å; F239-V266 HydrophobicContact CE2-CG1 4.04Å; F239-V266 HydrophobicContact CG-CG1 4.35Å; F239-M270 HydrophobicContact CE1-CE 4.2Å; F239-M270 HydrophobicContact CE2-CB 4.01Å; F239-M270 HydrophobicContact CE2-CE 4.28Å; F239-M270 HydrophobicContact CE2-CG 4.01Å; F239-M270 HydrophobicContact CZ-CB 4.4Å; F239-M270 HydrophobicContact CZ-CE 3.48Å; F239-M270 VanDerWaalsContact CZ-CE 3.48Å; F239-M270 HydrophobicContact CZ-CG 4.11Å; F239-F271 HydrophobicContact CD2-CE2 4.22Å; F239-F271 HydrophobicContact CD2-CZ 4.41Å; F239-F271 AromaticContact CE2-CE2 3.93Å; F239-F271 HydrophobicContact CE2-CE2 3.93Å; F239-F271 HydrophobicContact CE2-CZ 4.05Å |
| 240 | S | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.6 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | R232 A233 D254 M255 | R232-S240 CarbonylContact C-O 3.52Å; R232-S240 VanDerWaalsContact CA-O 3.3Å; R232-S240 WeakPolarHBondContact CA-O 3.39Å; A233-S240 PolarHBondContact N-O 3.14Å; A233-S240 PolarHBondContact O-N 3.02Å; S240-D254 CarbonylContact C-O 3.6Å; S240-D254 VanDerWaalsContact CA-O 3.26Å; S240-D254 WeakPolarHBondContact CA-O 3.5Å; S240-M255 WeakPolarHBondContact OG-CE 3.26Å |
| 241 | E | 98.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.5 | 166.9 | -173 | 157.4 | -139.1 | 0 | 0 | 108.2 | R232 F239 D254 | R232-E241 HydrophobicContact CG-CB 4.37Å; R232-E241 HydrophobicContact CG-CG 4.05Å; R232-E241 IonicContact CZ-OE1 2.71Å; R232-E241 VanDerWaalsContact CZ-OE1 3.32Å; R232-E241 IonicContact NE-OE1 3.42Å; R232-E241 PolarHBondContact NE-OE1 3.16Å; R232-E241 IonicContact NH2-OE1 3.21Å; R232-E241 PolarHBondContact NH2-OE1 3.26Å; F239-E241 HydrophobicContact CE1-CB 4.22Å; F239-E241 HydrophobicContact CZ-CB 4.38Å; E241-D254 PolarHBondContact N-O 3.45Å; E241-D254 PolarHBondContact O-N 3.21Å |
| 242 | V | 98.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.2 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | G230 F231 Y244 D251 V252 L253 I290 | G230-V242 CarbonylContact C-O 3.6Å; G230-V242 WeakPolarHBondContact CA-O 3.27Å; F231-V242 HydrophobicContact CD1-CB 3.78Å; F231-V242 HydrophobicContact CD1-CG1 4.2Å; F231-V242 HydrophobicContact CD1-CG2 4.36Å; F231-V242 HydrophobicContact CD2-CG2 4.46Å; F231-V242 HydrophobicContact CE1-CB 3.42Å; F231-V242 VanDerWaalsContact CE1-CB 3.42Å; F231-V242 HydrophobicContact CE1-CG1 3.59Å; F231-V242 HydrophobicContact CE1-CG2 3.71Å; F231-V242 HydrophobicContact CE2-CB 4.25Å; F231-V242 HydrophobicContact CE2-CG2 3.78Å; F231-V242 HydrophobicContact CG-CB 4.36Å; F231-V242 HydrophobicContact CZ-CB 3.68Å; F231-V242 HydrophobicContact CZ-CG1 4.11Å; F231-V242 HydrophobicContact CZ-CG2 3.37Å; F231-V242 PolarHBondContact N-O 3.39Å; F231-V242 PolarHBondContact O-N 3.37Å; V242-Y244 HydrophobicContact CG1-CE1 4.5Å; V242-D251 HydrophobicContact CG1-CB 4.35Å; V242-V252 CarbonylContact C-O 3.56Å; V242-V252 VanDerWaalsContact CA-O 3.23Å; V242-V252 WeakPolarHBondContact CA-O 3.33Å; V242-L253 HydrophobicContact CG1-CD1 4.21Å; V242-L253 HydrophobicContact CG1-CG 4.2Å; V242-L253 HydrophobicContact CG2-CG 3.93Å; V242-I290 HydrophobicContact CG2-CD1 4.36Å |
| 243 | T | 97.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 34% | 0.344 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.9 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | N245 D251 V252 | T243-N245 PolarHBondContact O-N 2.9Å; T243-D251 CarbonylContact O-C 3.59Å; T243-D251 WeakPolarHBondContact O-CA 3.38Å; T243-V252 PolarHBondContact N-O 2.87Å; T243-V252 PolarHBondContact O-N 2.85Å |
| 244 | Y | 96.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 108.4 | 175.6 | -58.4 | -38.8 | 0 | 0 | 0 | 110.5 | W132 P147 T229 F231 V242 D251 | W132-Y244 HydrophobicContact CH2-CD2 4.3Å; W132-Y244 HydrophobicContact CH2-CE2 4.38Å; W132-Y244 HydrophobicContact CZ2-CD2 4.01Å; W132-Y244 AromaticContact CZ2-CE2 3.64Å; W132-Y244 HydrophobicContact CZ2-CE2 3.64Å; P147-Y244 HydrophobicContact CB-CE1 4.47Å; P147-Y244 HydrophobicContact CB-CE2 3.9Å; P147-Y244 HydrophobicContact CG-CE2 3.72Å; T229-Y244 WeakPolarHBondContact O-CB 3.28Å; T229-Y244 PolarHBondContact O-N 3.37Å; F231-Y244 AromaticContact CD1-CE1 3.98Å; F231-Y244 HydrophobicContact CD1-CE1 3.98Å; F231-Y244 AromaticContact CD1-CZ 3.76Å; F231-Y244 WeakPolarHBondContact CD1-OH 3.39Å; F231-Y244 HydrophobicContact CE1-CE1 4.07Å; V242-Y244 HydrophobicContact CG1-CE1 4.5Å; Y244-D251 VanDerWaalsContact CA-OD1 3.3Å; Y244-D251 WeakPolarHBondContact CA-OD1 3.41Å |
| 245 | N | 89.1 | Confident | 94.1 | Very high | 33 Ų | 33 | 42 Ų | 42 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 91.3 | 178 | -175.7 | -4.5 | 0 | 0 | 0 | 111 | T243 Q247 D248 G249 F250 | T243-N245 PolarHBondContact O-N 2.9Å; N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 3.31Å; N245-Q247 PolarHBondContact OD1-N 3.14Å; N245-Q247 VanDerWaalsContact OD1-N 3.13Å; N245-D248 PolarHBondContact ND2-OD2 2.64Å; N245-D248 PolarHBondContact OD1-N 3.5Å; N245-G249 PolarHBondContact O-N 3.15Å; N245-F250 CarbonylContact C-O 3.49Å; N245-F250 WeakPolarHBondContact CA-O 3.2Å; N245-F250 HydrophobicContact CB-CD2 4.48Å; N245-F250 HydrophobicContact CB-CE2 4.48Å; N245-F250 WeakPolarHBondContact CB-O 3.47Å; N245-F250 PolarHBondContact N-O 3.41Å; N245-F250 VanDerWaalsContact O-O 3.05Å |
| 246 | N | 77.4 | Confident | 94.1 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.5 | -179.8 | -67.8 | -37.9 | 0 | 0 | 0 | 113.7 | R166 | R166-N246 VanDerWaalsContact CZ-OD1 3.29Å; R166-N246 PolarHBondContact NH1-OD1 3.2Å |
| 247 | Q | 79.3 | Confident | 94.1 | Very high | 183 Ų | 183 | 52 Ų | 52 | 86% | 0.855 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -43.5 | -175.9 | -66.3 | -175.3 | -1.3 | 0 | 0 | 111.2 | N245 | N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 3.31Å; N245-Q247 PolarHBondContact OD1-N 3.14Å; N245-Q247 VanDerWaalsContact OD1-N 3.13Å |
| 248 | D | 80.9 | Confident | 94.1 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -2.2 | -173.5 | -56.3 | -41.3 | 0 | 0 | 0 | 113.7 | N245 F250 | N245-D248 PolarHBondContact ND2-OD2 2.64Å; N245-D248 PolarHBondContact OD1-N 3.5Å; D248-F250 VanDerWaalsContact C-N 3.35Å; D248-F250 HydrophobicContact CB-CD1 3.77Å; D248-F250 HydrophobicContact CB-CE1 3.21Å; D248-F250 HydrophobicContact CB-CE2 4.39Å; D248-F250 HydrophobicContact CB-CZ 3.56Å; D248-F250 WeakPolarHBondContact O-CD1 3.46Å; D248-F250 PolarHBondContact O-N 2.76Å |
| 249 | G | 88.1 | Confident | 94.1 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 17.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N245 | N245-G249 PolarHBondContact O-N 3.15Š|
| 250 | F | 92.9 | Very high | 94 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.3 | 173.6 | 54.5 | -101.2 | 0 | 0 | 0 | 111.7 | K167 L169 N245 D248 V252 | K167-F250 CarbonylContact O-C 3.57Å; K167-F250 WeakPolarHBondContact O-CA 3.35Å; K167-F250 WeakPolarHBondContact O-CB 3.43Å; L169-F250 HydrophobicContact CB-CB 4.4Å; L169-F250 HydrophobicContact CB-CD2 3.92Å; L169-F250 HydrophobicContact CB-CG 4.33Å; L169-F250 HydrophobicContact CD2-CD2 3.85Å; L169-F250 HydrophobicContact CD2-CE2 3.64Å; L169-F250 HydrophobicContact CD2-CZ 4.14Å; N245-F250 CarbonylContact C-O 3.49Å; N245-F250 WeakPolarHBondContact CA-O 3.2Å; N245-F250 HydrophobicContact CB-CD2 4.48Å; N245-F250 HydrophobicContact CB-CE2 4.48Å; N245-F250 WeakPolarHBondContact CB-O 3.47Å; N245-F250 PolarHBondContact N-O 3.41Å; N245-F250 VanDerWaalsContact O-O 3.05Å; D248-F250 VanDerWaalsContact C-N 3.35Å; D248-F250 HydrophobicContact CB-CD1 3.77Å; D248-F250 HydrophobicContact CB-CE1 3.21Å; D248-F250 HydrophobicContact CB-CE2 4.39Å; D248-F250 HydrophobicContact CB-CZ 3.56Å; D248-F250 WeakPolarHBondContact O-CD1 3.46Å; D248-F250 PolarHBondContact O-N 2.76Å; F250-V252 HydrophobicContact CD2-CG2 3.77Å; F250-V252 HydrophobicContact CE2-CG2 3.6Å |
| 251 | D | 95.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 62.9 Ų | 62.9 | 6% | 0.059 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.2 | 168.3 | -69.6 | -24.2 | 0 | 0 | 0 | 108.1 | R166 K167 P168 L169 V242 T243 Y244 L253 | R166-D251 IonicContact CZ-OD1 2.76Å; R166-D251 VanDerWaalsContact CZ-OD1 3.28Å; R166-D251 IonicContact CZ-OD2 2.71Å; R166-D251 IonicContact NE-OD1 2.95Å; R166-D251 PolarHBondContact NE-OD1 2.84Å; R166-D251 IonicContact NE-OD2 3.32Å; R166-D251 IonicContact NH2-OD1 3.08Å; R166-D251 PolarHBondContact NH2-OD1 2.88Å; R166-D251 IonicContact NH2-OD2 2.68Å; R166-D251 PolarHBondContact NH2-OD2 3.45Å; K167-D251 PolarHBondContact O-N 3.37Å; P168-D251 CarbonylContact C-O 3.6Å; P168-D251 WeakPolarHBondContact CA-O 3.32Å; L169-D251 PolarHBondContact N-O 2.95Å; V242-D251 HydrophobicContact CG1-CB 4.35Å; T243-D251 CarbonylContact O-C 3.59Å; T243-D251 WeakPolarHBondContact O-CA 3.38Å; Y244-D251 VanDerWaalsContact CA-OD1 3.3Å; Y244-D251 WeakPolarHBondContact CA-OD1 3.41Å; D251-L253 HydrophobicContact CB-CD1 4.43Å; D251-L253 VanDerWaalsContact O-CD1 3.25Å; D251-L253 WeakPolarHBondContact O-CD1 3.3Å |
| 252 | V | 97.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 63.5 Ų | 63.5 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.3 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | L169 L171 V242 T243 F250 | L169-V252 HydrophobicContact CD2-CG2 4.42Å; L169-V252 CarbonylContact O-C 3.43Å; L169-V252 WeakPolarHBondContact O-CA 3.42Å; L171-V252 HydrophobicContact CD1-CG1 3.7Å; L171-V252 HydrophobicContact CD2-CG1 3.79Å; L171-V252 HydrophobicContact CG-CG1 3.63Å; V242-V252 CarbonylContact C-O 3.56Å; V242-V252 VanDerWaalsContact CA-O 3.23Å; V242-V252 WeakPolarHBondContact CA-O 3.33Å; T243-V252 PolarHBondContact N-O 2.87Å; T243-V252 PolarHBondContact O-N 2.85Å; F250-V252 HydrophobicContact CD2-CG2 3.77Å; F250-V252 HydrophobicContact CE2-CG2 3.6Å |
| 253 | L | 98 | Very high | 93.8 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.2 | 177.3 | -70.2 | 73 | 0 | 0 | 0 | 108.9 | P168 L169 V170 L171 V181 V242 D251 M255 | P168-L253 HydrophobicContact CB-CD1 3.64Å; P168-L253 HydrophobicContact CB-CD2 4.41Å; L169-L253 PolarHBondContact O-N 2.8Å; V170-L253 HydrophobicContact CG2-CB 4.39Å; V170-L253 HydrophobicContact CG2-CD2 4.43Å; L171-L253 PolarHBondContact N-O 3Å; V181-L253 HydrophobicContact CG1-CD2 4.15Å; V181-L253 HydrophobicContact CG2-CD2 3.92Å; V242-L253 HydrophobicContact CG1-CD1 4.21Å; V242-L253 HydrophobicContact CG1-CG 4.2Å; V242-L253 HydrophobicContact CG2-CG 3.93Å; D251-L253 HydrophobicContact CB-CD1 4.43Å; D251-L253 VanDerWaalsContact O-CD1 3.25Å; D251-L253 WeakPolarHBondContact O-CD1 3.3Å; L253-M255 HydrophobicContact CB-CG 4.25Å; L253-M255 HydrophobicContact CB-SD 4.4Å; L253-M255 HydrophobicContact CD2-SD 4.32Å |
| 254 | D | 98 | Very high | 93.7 | Very high | 78 Ų | 78 | 65 Ų | 65 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.4 | 167 | -173 | 5.6 | 0 | 0 | 0 | 108.8 | L171 S240 E241 | L171-D254 HydrophobicContact CD1-CB 4.21Å; S240-D254 CarbonylContact C-O 3.6Å; S240-D254 VanDerWaalsContact CA-O 3.26Å; S240-D254 WeakPolarHBondContact CA-O 3.5Å; E241-D254 PolarHBondContact N-O 3.45Å; E241-D254 PolarHBondContact O-N 3.21Å |
| 255 | M | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.4 | -171.1 | -58.5 | -176.4 | 73.4 | 0 | 0 | 110.8 | V170 N172 F175 L180 V181 T238 F239 S240 L253 I290 | V170-M255 HydrophobicContact CG1-SD 4.32Å; N172-M255 PolarHBondContact ND2-O 2.96Å; N172-M255 VanDerWaalsContact ND2-O 3.09Å; F175-M255 HydrophobicContact CB-CB 3.99Å; F175-M255 HydrophobicContact CB-CE 4.34Å; F175-M255 HydrophobicContact CB-CG 4.44Å; F175-M255 HydrophobicContact CB-SD 3.75Å; F175-M255 HydrophobicContact CD1-CB 4.01Å; F175-M255 HydrophobicContact CD1-CE 3.88Å; F175-M255 HydrophobicContact CD1-SD 4.35Å; F175-M255 HydrophobicContact CD2-CB 3.74Å; F175-M255 HydrophobicContact CE1-CB 4.46Å; F175-M255 HydrophobicContact CE2-CB 4.23Å; F175-M255 WeakPolarHBondContact CE2-O 3.26Å; F175-M255 HydrophobicContact CG-CB 3.62Å; F175-M255 HydrophobicContact CG-CE 4.33Å; F175-M255 HydrophobicContact CG-SD 4.2Å; L180-M255 HydrophobicContact CB-CE 4.3Å; L180-M255 HydrophobicContact CD1-CE 4.21Å; V181-M255 HydrophobicContact CG2-CE 4.42Å; V181-M255 HydrophobicContact CG2-SD 3.83Å; T238-M255 HydrophobicContact CG2-CE 3.97Å; F239-M255 WeakPolarHBondContact O-CA 3.4Å; S240-M255 WeakPolarHBondContact OG-CE 3.26Å; L253-M255 HydrophobicContact CB-CG 4.25Å; L253-M255 HydrophobicContact CB-SD 4.4Å; L253-M255 HydrophobicContact CD2-SD 4.32Å; M255-I290 HydrophobicContact CE-CD1 4.13Å |
| 256 | K | 98.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 47% | 0.47 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 148.8 | 175.7 | 64.6 | -174 | -178.9 | -174.6 | 0 | 111.1 | F239 I258 | F239-K256 HydrophobicContact CB-CG 4.31Å; F239-K256 HydrophobicContact CD1-CG 4.29Å; F239-K256 PolarHBondContact N-O 3.28Å; F239-K256 PolarHBondContact O-N 3.17Å; F239-K256 VanDerWaalsContact O-O 3.13Å; K256-I258 HydrophobicContact CG-CG2 4.38Å |
| 257 | D | 98.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 144.4 | 164.8 | -66.6 | -35.4 | 0 | 0 | 0 | 109.6 | W237 T238 | W237-D257 CarbonylContact O-C 3.56Å; W237-D257 WeakPolarHBondContact O-CA 3.22Å; T238-D257 PolarHBondContact OG1-OD1 2.83Å |
| 258 | I | 98.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | trans | -116.3 | 156.6 | 176.2 | 67.6 | 174.5 | 0 | 0 | 0 | 110.2 | L234 W237 F239 K256 D262 V263 V266 | L234-I258 HydrophobicContact CD1-CD1 3.77Å; L234-I258 HydrophobicContact CD1-CG1 4.38Å; L234-I258 HydrophobicContact CD2-CD1 4.49Å; W237-I258 WeakPolarHBondContact O-CG1 3.47Å; W237-I258 PolarHBondContact O-N 3.33Å; F239-I258 HydrophobicContact CB-CG2 4.06Å; K256-I258 HydrophobicContact CG-CG2 4.38Å; I258-D262 HydrophobicContact CB-CB 4.23Å; I258-V263 HydrophobicContact CD1-CB 4.48Å; I258-V263 HydrophobicContact CD1-CG2 3.96Å; I258-V263 HydrophobicContact CG1-CG2 4.28Å; I258-V266 HydrophobicContact CD1-CB 3.93Å; I258-V266 HydrophobicContact CD1-CG1 4.22Å; I258-V266 HydrophobicContact CD1-CG2 3.72Å; I258-V266 HydrophobicContact CG2-CG2 4.46Å | ||
| 259 | S | 97.6 | Very high | 97 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -74.3 | 159.1 | 175.3 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | D261 D262 V263 | S259-D261 PolarHBondContact O-N 3.44Å; S259-D262 PolarHBondContact O-N 2.81Å; S259-D262 VanDerWaalsContact OG-CG 3.25Å; S259-D262 PolarHBondContact OG-N 2.75Å; S259-D262 PolarHBondContact OG-OD2 2.88Å; S259-V263 PolarHBondContact O-N 2.91Å | ||
| 260 | D | 96.4 | Very high | 97.4 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -51 | -41.7 | 171.2 | -80.9 | 37.1 | 0 | 0 | 0 | 111.9 | W237 D262 V263 | W237-D260 PolarHBondContact NE1-OD1 3.05Å; D260-D262 PolarHBondContact O-N 2.86Å; D260-V263 PolarHBondContact O-N 2.91Å |
| 261 | D | 95.8 | Very high | 97.7 | Very high | 154 Ų | 154 | 59.6 Ų | 59.6 | 82% | 0.824 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -68.6 | -21.7 | -177 | -65.3 | -27 | 0 | 0 | 0 | 112.6 | S259 | S259-D261 PolarHBondContact O-N 3.44Š|
| 262 | D | 97.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -90.3 | -12.9 | 180 | -69.6 | -51.7 | 0 | 0 | 0 | 113.4 | I258 S259 D260 D264 K265 V266 | I258-D262 HydrophobicContact CB-CB 4.23Å; S259-D262 PolarHBondContact O-N 2.81Å; S259-D262 VanDerWaalsContact OG-CG 3.25Å; S259-D262 PolarHBondContact OG-N 2.75Å; S259-D262 PolarHBondContact OG-OD2 2.88Å; D260-D262 PolarHBondContact O-N 2.86Å; D262-D264 PolarHBondContact O-N 3.05Å; D262-K265 WeakPolarHBondContact O-CB 3.18Å; D262-K265 PolarHBondContact O-N 2.75Å; D262-V266 WeakPolarHBondContact O-CG2 3.48Å; D262-V266 PolarHBondContact O-N 2.83Å |
| 263 | V | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | -172.3 | 173 | 0 | 0 | 0 | 0 | 112 | L234 I258 S259 D260 K265 V266 L267 L279 P281 | L234-V263 HydrophobicContact CD2-CG1 4.26Å; I258-V263 HydrophobicContact CD1-CB 4.48Å; I258-V263 HydrophobicContact CD1-CG2 3.96Å; I258-V263 HydrophobicContact CG1-CG2 4.28Å; S259-V263 PolarHBondContact O-N 2.91Å; D260-V263 PolarHBondContact O-N 2.91Å; V263-K265 VanDerWaalsContact C-N 3.28Å; V263-K265 PolarHBondContact O-N 3.35Å; V263-V266 PolarHBondContact O-N 3.27Å; V263-L267 HydrophobicContact CG1-CD1 4.1Å; V263-L267 HydrophobicContact CG1-CG 4.47Å; V263-L267 WeakPolarHBondContact O-CG 3.42Å; V263-L267 PolarHBondContact O-N 2.92Å; V263-L279 HydrophobicContact CG1-CD2 3.64Å; V263-P281 HydrophobicContact CG1-CG 4.24Å; V263-P281 HydrophobicContact CG2-CG 4.08Å |
| 264 | D | 96.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -35.5 | -179 | -74.2 | -14.3 | 0 | 0 | 0 | 111.8 | D262 K268 | D262-D264 PolarHBondContact O-N 3.05Å; D264-K268 WeakPolarHBondContact O-CB 3.3Å; D264-K268 PolarHBondContact O-N 2.81Å |
| 265 | K | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 64.3 Ų | 64.3 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.9 | -178.3 | -176.2 | 174.2 | -173.4 | 0 | 110.8 | D262 V263 K268 E269 | D262-K265 WeakPolarHBondContact O-CB 3.18Å; D262-K265 PolarHBondContact O-N 2.75Å; V263-K265 VanDerWaalsContact C-N 3.28Å; V263-K265 PolarHBondContact O-N 3.35Å; K265-K268 PolarHBondContact O-N 3.4Å; K265-E269 VanDerWaalsContact CE-CD 3.44Å; K265-E269 WeakPolarHBondContact CE-OE1 3.47Å; K265-E269 VanDerWaalsContact CE-OE2 3.29Å; K265-E269 WeakPolarHBondContact CE-OE2 3.11Å; K265-E269 HydrophobicContact CG-CG 4.29Å; K265-E269 WeakPolarHBondContact CG-OE1 3.47Å; K265-E269 WeakPolarHBondContact O-CB 3.25Å; K265-E269 WeakPolarHBondContact O-CG 3.47Å; K265-E269 PolarHBondContact O-N 3.3Å |
| 266 | V | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 68.7 Ų | 68.7 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | L234 F239 I258 D262 V263 K268 E269 M270 F271 | L234-V266 HydrophobicContact CD2-CG1 4.26Å; F239-V266 HydrophobicContact CD2-CG1 3.61Å; F239-V266 HydrophobicContact CE2-CG1 4.04Å; F239-V266 HydrophobicContact CG-CG1 4.35Å; I258-V266 HydrophobicContact CD1-CB 3.93Å; I258-V266 HydrophobicContact CD1-CG1 4.22Å; I258-V266 HydrophobicContact CD1-CG2 3.72Å; I258-V266 HydrophobicContact CG2-CG2 4.46Å; D262-V266 WeakPolarHBondContact O-CG2 3.48Å; D262-V266 PolarHBondContact O-N 2.83Å; V263-V266 PolarHBondContact O-N 3.27Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 3.07Å; V266-E269 PolarHBondContact O-N 3.18Å; V266-M270 HydrophobicContact CG1-CB 4.37Å; V266-M270 HydrophobicContact CG1-CG 4.14Å; V266-M270 WeakPolarHBondContact O-CA 3.48Å; V266-M270 WeakPolarHBondContact O-CB 3.42Å; V266-M270 PolarHBondContact O-N 3.48Å; V266-F271 HydrophobicContact CG1-CE2 4.12Å |
| 267 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 175.4 | -74.9 | 175.3 | 0 | 0 | 0 | 112 | L40 C223 L234 V263 F271 N272 V273 L275 L279 | L40-L267 HydrophobicContact CD1-CD1 4.03Å; L40-L267 HydrophobicContact CD1-CD2 3.74Å; C223-L267 HydrophobicContact CB-CD2 4.11Å; L234-L267 HydrophobicContact CD2-CD2 3.84Å; L234-L267 HydrophobicContact CD2-CG 4.03Å; V263-L267 HydrophobicContact CG1-CD1 4.1Å; V263-L267 HydrophobicContact CG1-CG 4.47Å; V263-L267 WeakPolarHBondContact O-CG 3.42Å; V263-L267 PolarHBondContact O-N 2.92Å; L267-F271 HydrophobicContact CD2-CD2 4.27Å; L267-F271 CarbonylContact O-C 3.56Å; L267-F271 WeakPolarHBondContact O-CA 3.23Å; L267-F271 WeakPolarHBondContact O-CB 3.19Å; L267-F271 PolarHBondContact O-N 3.13Å; L267-F271 VanDerWaalsContact O-N 3.14Å; L267-N272 PolarHBondContact O-N 3.31Å; L267-N272 VanDerWaalsContact O-N 3.15Å; L267-V273 CarbonylContact C-O 3.58Å; L267-V273 HydrophobicContact CB-CB 4.27Å; L267-V273 HydrophobicContact CB-CG1 4.45Å; L267-V273 PolarHBondContact O-N 3.33Å; L267-L275 HydrophobicContact CD1-CD1 3.65Å; L267-L275 HydrophobicContact CD1-CG 4.32Å; L267-L279 HydrophobicContact CD1-CD2 3.78Å |
| 268 | K | 98 | Very high | 97 | Very high | 123 Ų | 123 | 71.2 Ų | 71.2 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -52.4 | 178.6 | -176.5 | -178.9 | -177 | 178.6 | 0 | 112.3 | D264 K265 V266 N272 V273 L274 | D264-K268 WeakPolarHBondContact O-CB 3.3Å; D264-K268 PolarHBondContact O-N 2.81Å; K265-K268 PolarHBondContact O-N 3.4Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 3.07Å; K268-N272 VanDerWaalsContact O-CA 3.27Å; K268-N272 WeakPolarHBondContact O-CA 3.24Å; K268-N272 PolarHBondContact O-N 3.45Å; K268-V273 WeakPolarHBondContact CA-O 3.42Å; K268-V273 PolarHBondContact N-O 3.26Å; K268-L274 HydrophobicContact CB-CD2 4.07Å; K268-L274 HydrophobicContact CD-CD2 3.72Å; K268-L274 HydrophobicContact CG-CD2 3.7Å |
| 269 | E | 98.1 | Very high | 97 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -75 | -37.6 | -171.9 | -69.3 | 178.4 | 179.8 | 0 | 0 | 112.5 | K265 V266 | K265-E269 VanDerWaalsContact CE-CD 3.44Å; K265-E269 WeakPolarHBondContact CE-OE1 3.47Å; K265-E269 VanDerWaalsContact CE-OE2 3.29Å; K265-E269 WeakPolarHBondContact CE-OE2 3.11Å; K265-E269 HydrophobicContact CG-CG 4.29Å; K265-E269 WeakPolarHBondContact CG-OE1 3.47Å; K265-E269 WeakPolarHBondContact O-CB 3.25Å; K265-E269 WeakPolarHBondContact O-CG 3.47Å; K265-E269 PolarHBondContact O-N 3.3Å; V266-E269 PolarHBondContact O-N 3.18Å |
| 270 | M | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 73 Ų | 73 | 22% | 0.217 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -98.9 | -24.7 | -171 | -56.3 | -56.9 | -79.9 | 0 | 0 | 113.7 | R232 F239 V266 | R232-M270 VanDerWaalsContact CZ-CE 3.44Å; R232-M270 PolarHBondContact NH1-O 3.3Å; F239-M270 HydrophobicContact CE1-CE 4.2Å; F239-M270 HydrophobicContact CE2-CB 4.01Å; F239-M270 HydrophobicContact CE2-CE 4.28Å; F239-M270 HydrophobicContact CE2-CG 4.01Å; F239-M270 HydrophobicContact CZ-CB 4.4Å; F239-M270 HydrophobicContact CZ-CE 3.48Å; F239-M270 VanDerWaalsContact CZ-CE 3.48Å; F239-M270 HydrophobicContact CZ-CG 4.11Å; V266-M270 HydrophobicContact CG1-CB 4.37Å; V266-M270 HydrophobicContact CG1-CG 4.14Å; V266-M270 WeakPolarHBondContact O-CA 3.48Å; V266-M270 WeakPolarHBondContact O-CB 3.42Å; V266-M270 PolarHBondContact O-N 3.48Å |
| 271 | F | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -123.3 | -4.3 | -176 | -56.3 | -91.1 | 0 | 0 | 0 | 113.9 | P36 C223 L225 R232 L234 F239 V266 L267 V273 | P36-F271 HydrophobicContact CG-CB 4.37Å; C223-F271 WeakPolarHBondContact SG-CD1 3.46Å; L225-F271 HydrophobicContact CB-CD1 3.7Å; L225-F271 HydrophobicContact CB-CE1 4.16Å; R232-F271 HydrophobicContact CB-CE1 3.78Å; R232-F271 HydrophobicContact CB-CZ 3.84Å; L234-F271 HydrophobicContact CB-CE2 3.95Å; L234-F271 HydrophobicContact CB-CZ 3.97Å; F239-F271 HydrophobicContact CD2-CE2 4.22Å; F239-F271 HydrophobicContact CD2-CZ 4.41Å; F239-F271 AromaticContact CE2-CE2 3.93Å; F239-F271 HydrophobicContact CE2-CE2 3.93Å; F239-F271 HydrophobicContact CE2-CZ 4.05Å; V266-F271 HydrophobicContact CG1-CE2 4.12Å; L267-F271 HydrophobicContact CD2-CD2 4.27Å; L267-F271 CarbonylContact O-C 3.56Å; L267-F271 WeakPolarHBondContact O-CA 3.23Å; L267-F271 WeakPolarHBondContact O-CB 3.19Å; L267-F271 PolarHBondContact O-N 3.13Å; L267-F271 VanDerWaalsContact O-N 3.14Å; F271-V273 HydrophobicContact CB-CB 4.38Å; F271-V273 HydrophobicContact CB-CG2 3.93Å; F271-V273 PolarHBondContact O-N 3.07Å |
| 272 | N | 97.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 63.4 Ų | 63.4 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | trans | 54.9 | 32.6 | -172.8 | -166.7 | 41.1 | 0 | 0 | 0 | 113.2 | L267 K268 | L267-N272 PolarHBondContact O-N 3.31Å; L267-N272 VanDerWaalsContact O-N 3.15Å; K268-N272 VanDerWaalsContact O-CA 3.27Å; K268-N272 WeakPolarHBondContact O-CA 3.24Å; K268-N272 PolarHBondContact O-N 3.45Å | ||
| 273 | V | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -100.9 | 126.8 | -179.4 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | P36 L40 L267 K268 F271 L275 | P36-V273 HydrophobicContact CG-CG2 3.83Å; L40-V273 HydrophobicContact CD1-CG1 4Å; L267-V273 CarbonylContact C-O 3.58Å; L267-V273 HydrophobicContact CB-CB 4.27Å; L267-V273 HydrophobicContact CB-CG1 4.45Å; L267-V273 PolarHBondContact O-N 3.33Å; K268-V273 WeakPolarHBondContact CA-O 3.42Å; K268-V273 PolarHBondContact N-O 3.26Å; F271-V273 HydrophobicContact CB-CB 4.38Å; F271-V273 HydrophobicContact CB-CG2 3.93Å; F271-V273 PolarHBondContact O-N 3.07Å; V273-L275 HydrophobicContact CG1-CD2 3.84Å; V273-L275 HydrophobicContact CG1-CG 4.22Å | ||
| 274 | L | 95 | Very high | 96.8 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | trans | -117 | 125.1 | 170.3 | -67.7 | 174 | 0 | 0 | 0 | 109.1 | R64 K268 | R64-L274 WeakPolarHBondContact CD-O 3.32Å; K268-L274 HydrophobicContact CB-CD2 4.07Å; K268-L274 HydrophobicContact CD-CD2 3.72Å; K268-L274 HydrophobicContact CG-CD2 3.7Å | ||
| 275 | L | 96 | Very high | 96.4 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | trans | -96 | 139.2 | 179.7 | -58.8 | 177.3 | 0 | 0 | 0 | 110 | L40 R64 L267 V273 L279 | L40-L275 HydrophobicContact CB-CD2 4.17Å; L40-L275 HydrophobicContact CD1-CD2 4.16Å; R64-L275 VanDerWaalsContact CZ-CD2 3.48Å; L267-L275 HydrophobicContact CD1-CD1 3.65Å; L267-L275 HydrophobicContact CD1-CG 4.32Å; V273-L275 HydrophobicContact CG1-CD2 3.84Å; V273-L275 HydrophobicContact CG1-CG 4.22Å; L275-L279 HydrophobicContact CD1-CB 3.68Å; L275-L279 HydrophobicContact CD1-CD1 4.38Å; L275-L279 HydrophobicContact CD1-CD2 4.02Å; L275-L279 HydrophobicContact CD1-CG 4.25Å | ||
| 276 | A | 92.5 | Very high | 95.9 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -81.9 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 277 | N | 95.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -109.1 | 152.5 | 179 | -61.8 | -55.9 | 0 | 0 | 0 | 110.2 | C44 E46 L279 | C44-N277 HydrophobicContact CB-CB 4.07Å; C44-N277 PolarHBondContact SG-O 2.88Å; E46-N277 PolarHBondContact OE1-ND2 3.23Å; N277-L279 PolarHBondContact O-N 2.87Å |
| 278 | K | 95.1 | Very high | 95 | Very high | 180 Ų | 180 | 72 Ų | 72 | 78% | 0.783 | 39% | 0.387 | S | S | * | . | trans | -60.3 | 127.4 | 177.1 | -178 | 174.3 | -179.5 | 177 | 0 | 110.2 | ||||
| 279 | L | 97.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | trans | -73.7 | 139.9 | 172.2 | -175.9 | 60.1 | 0 | 0 | 0 | 110.7 | L40 H43 V263 L267 L275 N277 P281 | L40-L279 HydrophobicContact CB-CD1 4.35Å; L40-L279 HydrophobicContact CD2-CD1 4.07Å; L40-L279 HydrophobicContact CD2-CD2 4.05Å; H43-L279 HydrophobicContact CB-CD1 3.41Å; H43-L279 VanDerWaalsContact CB-CD1 3.41Å; V263-L279 HydrophobicContact CG1-CD2 3.64Å; L267-L279 HydrophobicContact CD1-CD2 3.78Å; L275-L279 HydrophobicContact CD1-CB 3.68Å; L275-L279 HydrophobicContact CD1-CD1 4.38Å; L275-L279 HydrophobicContact CD1-CD2 4.02Å; L275-L279 HydrophobicContact CD1-CG 4.25Å; N277-L279 PolarHBondContact O-N 2.87Å; L279-P281 HydrophobicContact CD2-CG 4.31Å; L279-P281 HydrophobicContact CG-CG 4.22Å | ||
| 280 | V | 97.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 61% | 0.606 | 35% | 0.349 | S | S | * | . | trans | -110.8 | 94.4 | 164.2 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | H43 | H43-V280 PolarHBondContact O-N 2.98Š| ||
| 281 | P | 96.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -61.5 | 146.2 | -179.3 | -17.4 | 29.5 | 0 | 0 | 0 | 110.8 | W237 V263 L279 | W237-P281 HydrophobicContact CD2-CB 4.21Å; W237-P281 HydrophobicContact CH2-CB 4.19Å; W237-P281 WeakPolarHBondContact CH2-O 3.2Å; W237-P281 HydrophobicContact CZ2-CB 3.75Å; W237-P281 HydrophobicContact CZ2-CG 4.26Å; V263-P281 HydrophobicContact CG1-CG 4.24Å; V263-P281 HydrophobicContact CG2-CG 4.08Å; L279-P281 HydrophobicContact CD2-CG 4.31Å; L279-P281 HydrophobicContact CG-CG 4.22Å | ||
| 282 | I | 97.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 67 Ų | 67 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | trans | -142.4 | 141.5 | 177.9 | -162.8 | 170.9 | 0 | 0 | 0 | 110.3 | H43 K220 S221 N284 | H43-I282 WeakPolarHBondContact CE1-CG2 3.47Å; H43-I282 WeakPolarHBondContact ND1-CG2 3.43Å; K220-I282 WeakPolarHBondContact CA-O 3.18Å; S221-I282 PolarHBondContact N-O 3.45Å; S221-I282 PolarHBondContact OG-N 2.68Å; S221-I282 VanDerWaalsContact OG-N 3.09Å; S221-I282 PolarHBondContact OG-O 2.8Å; I282-N284 WeakPolarHBondContact CD1-ND2 3.4Å | ||
| 283 | N | 95.9 | Very high | 94 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -145.4 | 55.6 | 177.5 | -163.6 | 12.9 | 0 | 0 | 0 | 111.3 | K220 W237 | K220-N283 PolarHBondContact NZ-OD1 3.3Å; W237-N283 HydrophobicContact CE3-CB 4.31Å; W237-N283 HydrophobicContact CZ3-CB 4.29Å |
| 284 | N | 94.9 | Very high | 93.7 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | -66.6 | 165.7 | 176.3 | -67.2 | -17.9 | 0 | 0 | 0 | 111.2 | N219 K220 I282 A286 | N219-N284 HydrophobicContact CB-CB 4Å; N219-N284 WeakPolarHBondContact O-CB 3.39Å; N219-N284 PolarHBondContact O-N 2.95Å; N219-N284 WeakPolarHBondContact OD1-CB 2.97Å; N219-N284 PolarHBondContact OD1-ND2 3.12Å; N219-N284 VanDerWaalsContact OD1-ND2 3.15Å; K220-N284 PolarHBondContact NZ-O 3.09Å; I282-N284 WeakPolarHBondContact CD1-ND2 3.4Å; N284-A286 PolarHBondContact O-N 3.12Å | ||
| 285 | K | 87.8 | Confident | 93.6 | Very high | 219 Ų | 219 | 67.7 Ų | 67.7 | 95% | 0.952 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -68.9 | 94 | 177.8 | -169.1 | 177.7 | -178.1 | 178.5 | 0 | 110.8 | ||
| 286 | A | 87.9 | Confident | 93.5 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | trans | -137.9 | 145.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | L216 N219 K220 N284 Y288 | L216-A286 HydrophobicContact CD1-CB 4.03Å; N219-A286 HydrophobicContact CB-CB 3.98Å; K220-A286 WeakPolarHBondContact CE-O 3.39Å; K220-A286 PolarHBondContact NZ-O 2.92Å; N284-A286 PolarHBondContact O-N 3.12Å; A286-Y288 PolarHBondContact O-N 3.15Å | ||
| 287 | G | 85.7 | Confident | 93.6 | Very high | 60 Ų | 60 | 68.1 Ų | 68.1 | 62% | 0.619 | 37% | 0.368 | S | S | * | . | trans | -70.5 | 117.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 288 | Y | 91.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | trans | -158.8 | 133.6 | 173.2 | -172 | -110.6 | 0 | 0 | 0 | 108.8 | V127 L180 L216 I222 I235 A286 I290 | V127-Y288 HydrophobicContact CG1-CE1 4.32Å; V127-Y288 WeakPolarHBondContact CG1-OH 3.44Å; L180-Y288 HydrophobicContact CD2-CD1 4.48Å; L180-Y288 WeakPolarHBondContact CD2-O 3.39Å; L216-Y288 HydrophobicContact CD1-CD2 4.37Å; L216-Y288 HydrophobicContact CD1-CG 4.27Å; L216-Y288 HydrophobicContact CD2-CD2 3.51Å; L216-Y288 HydrophobicContact CD2-CE2 4.11Å; L216-Y288 HydrophobicContact CD2-CG 4.23Å; I222-Y288 HydrophobicContact CD1-CD1 4.27Å; I222-Y288 HydrophobicContact CD1-CD2 4.39Å; I222-Y288 HydrophobicContact CD1-CE1 4.11Å; I222-Y288 HydrophobicContact CD1-CE2 4.22Å; I222-Y288 HydrophobicContact CD1-CG 4.41Å; I222-Y288 HydrophobicContact CG1-CE1 4.45Å; I222-Y288 HydrophobicContact CG2-CE1 4.16Å; I235-Y288 HydrophobicContact CD1-CD1 4.08Å; I235-Y288 HydrophobicContact CD1-CE1 3.6Å; I235-Y288 HydrophobicContact CG1-CE1 4.45Å; A286-Y288 PolarHBondContact O-N 3.15Å; Y288-I290 HydrophobicContact CE1-CG2 4.32Å | ||
| 289 | T | 93.9 | Very high | 93.3 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | trans | -122.8 | 147.3 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 110 | P179 L180 D182 | P179-T289 WeakPolarHBondContact O-CG2 3.4Å; L180-T289 CarbonylContact O-C 3.55Å; L180-T289 VanDerWaalsContact O-CA 3.26Å; L180-T289 WeakPolarHBondContact O-CA 3.38Å; L180-T289 WeakPolarHBondContact O-CB 3.34Å; D182-T289 HydrophobicContact CB-CG2 4.07Å | ||
| 290 | I | 92.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | trans | -92.4 | 0 | 175.7 | 64.7 | 174.5 | 0 | 0 | 0 | 110.7 | V127 S128 L180 F231 A233 I235 V242 M255 Y288 | V127-I290 HydrophobicContact CB-CB 4.35Å; V127-I290 VanDerWaalsContact CB-OXT 3.31Å; V127-I290 WeakPolarHBondContact CB-OXT 3.27Å; V127-I290 HydrophobicContact CG1-CB 4.28Å; V127-I290 HydrophobicContact CG1-CG2 4.09Å; S128-I290 WeakPolarHBondContact CA-OXT 3.29Å; S128-I290 WeakPolarHBondContact CB-OXT 3.29Å; S128-I290 PolarHBondContact N-OXT 2.98Å; S128-I290 PolarHBondContact OG-O 2.93Å; S128-I290 PolarHBondContact OG-OXT 2.72Å; L180-I290 HydrophobicContact CB-CG1 4.26Å; L180-I290 WeakPolarHBondContact O-CG1 3.31Å; L180-I290 PolarHBondContact O-N 3.07Å; F231-I290 HydrophobicContact CE2-CB 4.02Å; F231-I290 HydrophobicContact CZ-CB 4.1Å; F231-I290 WeakPolarHBondContact CZ-OXT 2.98Å; A233-I290 HydrophobicContact CB-CG2 4.06Å; I235-I290 HydrophobicContact CD1-CG2 4.43Å; I235-I290 HydrophobicContact CG1-CG2 4.13Å; V242-I290 HydrophobicContact CG2-CD1 4.36Å; M255-I290 HydrophobicContact CE-CD1 4.13Å; Y288-I290 HydrophobicContact CE1-CG2 4.32Å |
Retrieved 290 of 290 residues in 599 ms
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